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 2i3z_1_B DATA FIRST_RESID 38 DATA SEQUENCE RRTYTLADYL KNTFRVKSYS LRWVSDSEYL YKQENNILLF NAEHGNSSIF DATA SEQUENCE LENSTFEIFG DSISDYSVSP DRLFVLLEYN YVKQWRHSYT ASYSIYDLNK DATA SEQUENCE RQLITEEKIP NNTQWITWSQ EGHKLAYVWK NDIYVKIEPH LPSHRITSTG DATA SEQUENCE KENVIFNGIN DWVYEEEIFG AYSALWWSPN GTFLAYAQFN DTGVPLIEYS DATA SEQUENCE FYSDESLQYP KTVWIPYPKA GAVNPTVKFF IVNTDSLSST TTTIPMQITA DATA SEQUENCE PASVTTGDHY LCDVAWVSED RISLQWLRRI QNYSVMAIcD YDKTTLVWNc DATA SEQUENCE PTTQEHIETS ATGWCGRFRP AEPHFTSDGS SFYKIVSDKD GYKHIcQFQK DATA SEQUENCE DRKPEQVcTF ITKGAWEVIS IEALTSDYLY YISNEYKEMP GGRNLYKIQL DATA SEQUENCE TDHTNKKCLS CDLNPERcQY YSVSLSKEAK YYQLGcRGPG LPLYTLHRST DATA SEQUENCE DQKELRVLED NSALDKMLQD VQMPSKKLDF IVLNETRFWY QMILPPHFDK DATA SEQUENCE SKKYPLLIDV YAGPCSQKAD AAFRLNWATY LASTENIIVA SFDGRGSGYQ DATA SEQUENCE GDKIMHAINK RLGTLEVEDQ IEAARQFLKM GFVDSKRVAI WGWSYGGYVT DATA SEQUENCE SMVLGSGSGV FKcGIAVAPV SRWEYYDSVY TERYMGLPTP EDNLDHYRNS DATA SEQUENCE TVMSRAENFK QVEYLLIHGT ADDNVHFQQS AQISKALVDA GVDFQAMWYT DATA SEQUENCE DEDHGIASST AHQHIYSHMS HFLQQcFSLR 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 38 R HA 0.000 nan 4.340 nan 0.000 0.208 38 R C 0.000 176.359 176.300 0.099 0.000 0.893 38 R CA 0.000 56.155 56.100 0.092 0.000 0.921 38 R CB 0.000 30.343 30.300 0.072 0.000 0.687 39 R N 0.622 121.185 120.500 0.105 0.000 2.459 39 R HA 0.871 5.211 4.340 0.000 0.000 0.281 39 R C 0.769 177.152 176.300 0.138 0.000 1.050 39 R CA 0.548 56.722 56.100 0.123 0.000 1.055 39 R CB -0.115 30.271 30.300 0.144 0.000 1.045 39 R HN 1.273 nan 8.270 nan 0.000 0.495 40 T N -0.501 114.142 114.554 0.148 0.000 2.862 40 T HA 0.483 4.833 4.350 0.000 0.000 0.276 40 T C -0.262 174.595 174.700 0.261 0.000 0.974 40 T CA -0.388 61.812 62.100 0.166 0.000 0.966 40 T CB 0.406 69.353 68.868 0.131 0.000 1.072 40 T HN 0.704 nan 8.240 nan 0.000 0.538 41 Y N 2.265 122.656 120.300 0.152 0.000 2.627 41 Y HA 0.483 5.033 4.550 0.000 0.000 0.347 41 Y C 1.141 177.239 175.900 0.330 0.000 1.099 41 Y CA -0.657 57.588 58.100 0.243 0.000 1.408 41 Y CB -0.785 37.785 38.460 0.184 0.000 1.247 41 Y HN 0.947 nan 8.280 nan 0.000 0.506 42 T N 2.826 117.420 114.554 0.068 0.000 2.791 42 T HA 0.307 4.657 4.350 0.000 0.000 0.323 42 T C 1.588 176.206 174.700 -0.137 0.000 1.082 42 T CA 0.316 62.465 62.100 0.081 0.000 1.084 42 T CB 0.272 69.148 68.868 0.013 0.000 0.992 42 T HN 0.904 nan 8.240 nan 0.000 0.547 43 L N 0.775 121.755 121.223 -0.405 0.000 2.201 43 L HA 0.407 4.747 4.340 0.000 0.000 0.212 43 L C 3.147 179.825 176.870 -0.320 0.000 1.105 43 L CA 2.404 56.736 54.840 -0.847 0.000 0.775 43 L CB -1.972 39.422 42.059 -1.108 0.000 0.913 43 L HN 1.136 nan 8.230 nan 0.000 0.440 44 A N -0.810 121.878 122.820 -0.221 0.000 1.930 44 A HA -0.218 4.102 4.320 0.000 0.000 0.217 44 A C 2.145 179.623 177.584 -0.176 0.000 1.175 44 A CA 1.419 53.365 52.037 -0.152 0.000 0.627 44 A CB -0.682 18.257 19.000 -0.102 0.000 0.815 44 A HN 0.633 nan 8.150 nan 0.000 0.443 45 D N -1.595 118.655 120.400 -0.250 0.000 2.123 45 D HA -0.165 4.475 4.640 0.000 0.000 0.196 45 D C 1.645 177.832 176.300 -0.189 0.000 0.992 45 D CA 1.627 55.440 54.000 -0.312 0.000 0.833 45 D CB -0.311 40.173 40.800 -0.527 0.000 0.954 45 D HN 0.610 nan 8.370 nan 0.000 0.455 46 Y N 1.501 121.593 120.300 -0.346 0.000 2.114 46 Y HA -0.090 4.460 4.550 0.000 0.000 0.284 46 Y C 2.297 178.168 175.900 -0.049 0.000 1.119 46 Y CA 1.227 59.278 58.100 -0.082 0.000 1.108 46 Y CB -0.690 37.732 38.460 -0.063 0.000 0.995 46 Y HN -0.142 nan 8.280 nan 0.000 0.491 47 L N 0.231 121.318 121.223 -0.225 0.000 2.127 47 L HA -0.224 4.116 4.340 0.000 0.000 0.211 47 L C 1.779 178.539 176.870 -0.184 0.000 1.089 47 L CA 1.473 56.145 54.840 -0.280 0.000 0.757 47 L CB -0.490 41.473 42.059 -0.160 0.000 0.899 47 L HN 0.159 nan 8.230 nan 0.000 0.434 48 K N 0.005 120.317 120.400 -0.147 0.000 2.387 48 K HA 0.050 4.370 4.320 0.000 0.000 0.198 48 K C 0.165 176.700 176.600 -0.108 0.000 1.022 48 K CA -0.176 56.043 56.287 -0.113 0.000 1.128 48 K CB -0.451 31.985 32.500 -0.107 0.000 0.853 48 K HN 0.174 nan 8.250 nan 0.000 0.523 49 N N 1.419 120.055 118.700 -0.107 0.000 2.686 49 N HA -0.192 4.548 4.740 0.000 0.000 0.261 49 N C 0.187 175.662 175.510 -0.058 0.000 1.001 49 N CA 0.900 53.924 53.050 -0.042 0.000 0.764 49 N CB -1.014 37.447 38.487 -0.044 0.000 0.898 49 N HN 0.092 nan 8.380 nan 0.000 0.544 50 T N 0.039 114.506 114.554 -0.145 0.000 2.701 50 T HA -0.063 4.288 4.350 0.000 0.000 0.263 50 T C 0.521 175.005 174.700 -0.359 0.000 1.040 50 T CA 1.306 63.187 62.100 -0.364 0.000 1.147 50 T CB -0.182 68.260 68.868 -0.710 0.000 0.865 50 T HN 0.402 nan 8.240 nan 0.000 0.426 51 F N 2.680 122.738 119.950 0.180 0.000 2.351 51 F HA 0.360 4.887 4.527 0.000 0.000 0.362 51 F C 0.708 176.607 175.800 0.165 0.000 1.131 51 F CA -1.154 56.955 58.000 0.183 0.000 1.187 51 F CB 0.199 39.346 39.000 0.245 0.000 1.434 51 F HN -0.093 nan 8.300 nan 0.000 0.553 52 R N 2.481 123.127 120.500 0.242 0.000 2.491 52 R HA 0.383 4.723 4.340 0.000 0.000 0.283 52 R C -1.188 175.237 176.300 0.209 0.000 1.072 52 R CA -0.227 55.984 56.100 0.184 0.000 1.048 52 R CB 0.817 31.186 30.300 0.115 0.000 0.983 52 R HN 0.400 nan 8.270 nan 0.000 0.450 53 V N 5.569 125.605 119.914 0.204 0.000 2.394 53 V HA 0.258 4.378 4.120 0.000 0.000 0.282 53 V C 0.114 176.315 176.094 0.180 0.000 1.031 53 V CA -0.587 61.845 62.300 0.220 0.000 0.881 53 V CB 1.459 33.453 31.823 0.285 0.000 0.982 53 V HN 0.816 nan 8.190 nan 0.000 0.451 54 K N 2.589 123.094 120.400 0.175 0.000 2.109 54 K HA 0.787 5.107 4.320 0.000 0.000 0.243 54 K C 0.024 176.739 176.600 0.192 0.000 1.006 54 K CA -0.403 55.977 56.287 0.155 0.000 0.917 54 K CB 1.577 34.164 32.500 0.145 0.000 1.081 54 K HN 0.868 nan 8.250 nan 0.000 0.468 55 S N -0.564 115.163 115.700 0.045 0.000 2.688 55 S HA 0.344 4.815 4.470 0.000 0.000 0.275 55 S C -1.762 172.596 174.600 -0.404 0.000 1.175 55 S CA -0.860 57.132 58.200 -0.348 0.000 0.818 55 S CB 0.718 63.752 63.200 -0.276 0.000 1.157 55 S HN 0.597 nan 8.310 nan 0.000 0.482 56 Y N 1.375 121.055 120.300 -1.033 0.000 2.705 56 Y HA 0.535 5.085 4.550 0.000 0.000 0.355 56 Y C -0.622 175.062 175.900 -0.360 0.000 1.039 56 Y CA -0.483 57.322 58.100 -0.490 0.000 1.233 56 Y CB 1.084 39.255 38.460 -0.482 0.000 1.103 56 Y HN 0.737 nan 8.280 nan 0.000 0.624 57 S N 6.084 121.608 115.700 -0.293 0.000 2.411 57 S HA 0.428 4.898 4.470 0.000 0.000 0.304 57 S C -0.433 174.010 174.600 -0.261 0.000 1.098 57 S CA -0.580 57.484 58.200 -0.225 0.000 1.068 57 S CB -0.428 62.684 63.200 -0.147 0.000 1.032 57 S HN 0.552 nan 8.310 nan 0.000 0.511 58 L N 1.450 122.460 121.223 -0.355 0.000 2.335 58 L HA 0.771 5.111 4.340 0.000 0.000 0.268 58 L C -0.035 176.638 176.870 -0.328 0.000 1.016 58 L CA -0.880 53.689 54.840 -0.451 0.000 0.805 58 L CB 0.547 41.985 42.059 -1.035 0.000 1.311 58 L HN 0.303 nan 8.230 nan 0.000 0.456 59 R N 0.148 120.505 120.500 -0.239 0.000 2.507 59 R HA 0.293 4.633 4.340 0.000 0.000 0.298 59 R C -1.797 174.505 176.300 0.004 0.000 1.087 59 R CA -0.261 55.788 56.100 -0.085 0.000 0.917 59 R CB 1.073 31.389 30.300 0.027 0.000 1.173 59 R HN 0.681 nan 8.270 nan 0.000 0.472 60 W N 3.281 124.653 121.300 0.121 0.000 2.591 60 W HA 0.018 4.678 4.660 0.000 0.000 0.330 60 W C 1.148 177.731 176.519 0.107 0.000 1.435 60 W CA -0.493 56.940 57.345 0.146 0.000 1.350 60 W CB 0.589 30.127 29.460 0.129 0.000 1.434 60 W HN 0.407 nan 8.180 nan 0.000 0.553 61 V N 2.658 122.782 119.914 0.349 0.000 3.235 61 V HA -0.059 4.061 4.120 0.000 0.000 0.259 61 V C 1.060 177.260 176.094 0.176 0.000 1.133 61 V CA 1.323 63.731 62.300 0.179 0.000 1.128 61 V CB -0.662 31.192 31.823 0.051 0.000 0.757 61 V HN 0.591 nan 8.190 nan 0.000 0.469 62 S N -1.215 114.630 115.700 0.242 0.000 3.070 62 S HA 0.303 4.773 4.470 0.000 0.000 0.320 62 S C 0.153 174.827 174.600 0.123 0.000 1.215 62 S CA 0.145 58.439 58.200 0.157 0.000 0.956 62 S CB 1.371 64.645 63.200 0.122 0.000 1.337 62 S HN 0.050 nan 8.310 nan 0.000 0.639 63 D N 0.266 120.707 120.400 0.070 0.000 2.339 63 D HA 0.282 4.922 4.640 0.000 0.000 0.217 63 D C 1.194 177.537 176.300 0.072 0.000 1.050 63 D CA 1.008 55.010 54.000 0.004 0.000 0.856 63 D CB 0.237 41.051 40.800 0.024 0.000 0.922 63 D HN 0.511 nan 8.370 nan 0.000 0.518 64 S N -2.255 113.518 115.700 0.122 0.000 2.700 64 S HA 0.258 4.728 4.470 0.000 0.000 0.272 64 S C 0.394 175.065 174.600 0.118 0.000 1.052 64 S CA -0.628 57.634 58.200 0.104 0.000 1.317 64 S CB 0.819 64.105 63.200 0.145 0.000 1.212 64 S HN 0.017 nan 8.310 nan 0.000 0.675 65 E N 0.652 121.005 120.200 0.254 0.000 2.312 65 E HA 0.654 5.004 4.350 0.000 0.000 0.267 65 E C -1.621 175.233 176.600 0.425 0.000 0.894 65 E CA -1.071 55.460 56.400 0.218 0.000 0.773 65 E CB 2.054 31.806 29.700 0.086 0.000 1.241 65 E HN 0.473 nan 8.360 nan 0.000 0.432 66 Y N -0.714 119.692 120.300 0.177 0.000 2.588 66 Y HA 0.614 5.164 4.550 0.000 0.000 0.343 66 Y C -1.716 174.184 175.900 0.001 0.000 1.065 66 Y CA -1.333 56.761 58.100 -0.009 0.000 1.038 66 Y CB 0.746 38.885 38.460 -0.535 0.000 1.297 66 Y HN 0.347 nan 8.280 nan 0.000 0.467 67 L N 2.871 124.253 121.223 0.265 0.000 2.334 67 L HA 0.530 4.870 4.340 0.000 0.000 0.275 67 L C -1.353 175.704 176.870 0.311 0.000 1.036 67 L CA -1.002 53.965 54.840 0.212 0.000 0.807 67 L CB 1.662 43.768 42.059 0.079 0.000 1.231 67 L HN 0.810 nan 8.230 nan 0.000 0.438 68 Y N 2.366 122.742 120.300 0.126 0.000 2.442 68 Y HA 0.275 4.826 4.550 0.000 0.000 0.330 68 Y C -0.712 175.186 175.900 -0.003 0.000 1.100 68 Y CA -1.167 56.889 58.100 -0.074 0.000 1.034 68 Y CB 1.557 39.812 38.460 -0.341 0.000 1.285 68 Y HN 0.425 nan 8.280 nan 0.000 0.440 69 K N 4.978 124.926 120.400 -0.753 0.000 2.297 69 K HA 0.300 4.620 4.320 0.000 0.000 0.286 69 K C -1.076 175.100 176.600 -0.707 0.000 1.053 69 K CA -0.298 55.654 56.287 -0.558 0.000 0.940 69 K CB 0.708 32.978 32.500 -0.383 0.000 1.019 69 K HN 0.848 nan 8.250 nan 0.000 0.475 70 Q N 4.069 123.694 119.800 -0.291 0.000 2.275 70 Q HA 0.088 4.428 4.340 0.000 0.000 0.266 70 Q C -1.228 174.715 176.000 -0.094 0.000 1.002 70 Q CA -0.303 55.440 55.803 -0.100 0.000 0.761 70 Q CB 1.159 29.998 28.738 0.168 0.000 1.255 70 Q HN 0.756 nan 8.270 nan 0.000 0.446 71 E N 3.215 123.363 120.200 -0.087 0.000 2.228 71 E HA -0.369 3.981 4.350 0.000 0.000 0.213 71 E C -0.688 175.822 176.600 -0.151 0.000 1.282 71 E CA 0.542 56.891 56.400 -0.085 0.000 0.707 71 E CB -1.333 28.340 29.700 -0.045 0.000 1.150 71 E HN 0.853 nan 8.360 nan 0.000 0.362 72 N N 0.313 118.884 118.700 -0.217 0.000 2.727 72 N HA -0.178 4.562 4.740 0.000 0.000 0.249 72 N C -1.031 174.197 175.510 -0.471 0.000 1.048 72 N CA 1.050 53.886 53.050 -0.357 0.000 0.714 72 N CB -0.750 37.568 38.487 -0.281 0.000 0.959 72 N HN 0.477 nan 8.380 nan 0.000 0.544 73 N N 0.678 119.158 118.700 -0.367 0.000 2.371 73 N HA 0.303 5.043 4.740 0.000 0.000 0.291 73 N C -0.416 174.941 175.510 -0.253 0.000 1.053 73 N CA -0.555 52.312 53.050 -0.305 0.000 0.870 73 N CB 1.426 39.818 38.487 -0.158 0.000 1.503 73 N HN -0.032 nan 8.380 nan 0.000 0.485 74 I N 3.392 123.815 120.570 -0.245 0.000 2.352 74 I HA 0.340 4.510 4.170 0.000 0.000 0.290 74 I C 0.276 176.448 176.117 0.092 0.000 1.036 74 I CA -0.228 61.008 61.300 -0.108 0.000 1.336 74 I CB 0.267 38.197 38.000 -0.116 0.000 1.407 74 I HN 0.284 nan 8.210 nan 0.000 0.497 75 L N 6.430 127.768 121.223 0.190 0.000 2.334 75 L HA 0.489 4.829 4.340 0.000 0.000 0.276 75 L C -0.447 176.606 176.870 0.304 0.000 1.014 75 L CA -0.978 54.005 54.840 0.239 0.000 0.815 75 L CB 2.207 44.458 42.059 0.320 0.000 1.268 75 L HN 0.335 nan 8.230 nan 0.000 0.428 76 L N 2.693 123.977 121.223 0.102 0.000 2.275 76 L HA 0.566 4.906 4.340 0.000 0.000 0.288 76 L C -1.063 175.742 176.870 -0.109 0.000 1.046 76 L CA 0.358 55.219 54.840 0.036 0.000 0.805 76 L CB 0.591 42.644 42.059 -0.009 0.000 1.193 76 L HN 0.194 nan 8.230 nan 0.000 0.426 77 F N 3.337 123.032 119.950 -0.425 0.000 2.523 77 F HA 0.453 4.980 4.527 0.000 0.000 0.329 77 F C 0.474 175.971 175.800 -0.505 0.000 1.061 77 F CA -0.721 56.935 58.000 -0.573 0.000 0.967 77 F CB 1.314 39.648 39.000 -1.110 0.000 1.218 77 F HN 0.530 nan 8.300 nan 0.000 0.480 78 N N 1.783 120.391 118.700 -0.154 0.000 2.501 78 N HA 0.407 5.147 4.740 0.000 0.000 0.245 78 N C -1.035 174.397 175.510 -0.130 0.000 0.974 78 N CA -0.223 52.763 53.050 -0.106 0.000 0.941 78 N CB 1.348 39.815 38.487 -0.033 0.000 1.122 78 N HN 0.732 nan 8.380 nan 0.000 0.507 79 A N 2.954 125.663 122.820 -0.185 0.000 2.524 79 A HA 0.301 4.621 4.320 0.000 0.000 0.250 79 A C 0.796 178.038 177.584 -0.571 0.000 1.078 79 A CA 0.316 52.151 52.037 -0.337 0.000 0.761 79 A CB 0.063 18.739 19.000 -0.540 0.000 1.012 79 A HN 0.952 nan 8.150 nan 0.000 0.500 80 E N 0.544 120.571 120.200 -0.287 0.000 3.346 80 E HA -0.118 4.232 4.350 0.000 0.000 0.141 80 E C -0.585 175.809 176.600 -0.343 0.000 0.755 80 E CA 0.806 57.040 56.400 -0.276 0.000 2.937 80 E CB -0.803 28.663 29.700 -0.390 0.000 1.318 80 E HN 0.817 nan 8.360 nan 0.000 0.720 81 H N 0.229 119.301 119.070 0.005 0.000 2.463 81 H HA 0.539 5.095 4.556 0.000 0.000 0.332 81 H C 1.168 176.492 175.328 -0.006 0.000 1.127 81 H CA 0.191 56.240 56.048 0.001 0.000 1.238 81 H CB 1.432 31.191 29.762 -0.005 0.000 1.478 81 H HN 0.518 nan 8.280 nan 0.000 0.499 82 G N 2.401 111.267 108.800 0.111 0.000 2.564 82 G HA2 -0.302 3.659 3.960 0.000 0.000 0.217 82 G HA3 -0.302 3.659 3.960 0.000 0.000 0.217 82 G C 0.792 175.702 174.900 0.017 0.000 1.120 82 G CA 0.215 45.368 45.100 0.088 0.000 0.752 82 G HN 0.722 nan 8.290 nan 0.000 0.558 83 N N 0.426 119.135 118.700 0.015 0.000 1.923 83 N HA -0.006 4.734 4.740 0.000 0.000 0.305 83 N C 0.545 175.936 175.510 -0.198 0.000 1.339 83 N CA 0.764 53.779 53.050 -0.057 0.000 0.825 83 N CB 0.225 38.716 38.487 0.006 0.000 1.095 83 N HN 0.316 nan 8.380 nan 0.000 0.498 84 S N 2.233 117.745 115.700 -0.313 0.000 2.798 84 S HA 0.807 5.277 4.470 0.000 0.000 0.312 84 S C -0.614 173.766 174.600 -0.368 0.000 1.122 84 S CA -0.378 57.456 58.200 -0.610 0.000 0.949 84 S CB 1.849 64.463 63.200 -0.976 0.000 1.235 84 S HN 0.674 nan 8.310 nan 0.000 0.552 85 S N -0.045 115.434 115.700 -0.368 0.000 2.669 85 S HA 0.288 4.758 4.470 0.000 0.000 0.304 85 S C -1.365 173.187 174.600 -0.080 0.000 1.021 85 S CA -0.797 57.303 58.200 -0.165 0.000 0.854 85 S CB 0.115 63.260 63.200 -0.091 0.000 1.048 85 S HN 0.775 nan 8.310 nan 0.000 0.452 86 I N 5.487 126.031 120.570 -0.044 0.000 2.662 86 I HA 0.106 4.276 4.170 0.000 0.000 0.285 86 I C 0.804 176.967 176.117 0.076 0.000 1.161 86 I CA 0.221 61.521 61.300 0.000 0.000 1.415 86 I CB 0.367 38.345 38.000 -0.037 0.000 1.385 86 I HN 0.764 nan 8.210 nan 0.000 0.552 87 F N 7.666 127.585 119.950 -0.052 0.000 2.298 87 F HA 0.327 4.854 4.527 0.000 0.000 0.282 87 F C 0.509 176.288 175.800 -0.035 0.000 1.045 87 F CA 0.679 58.663 58.000 -0.026 0.000 1.280 87 F CB 0.424 39.426 39.000 0.005 0.000 1.114 87 F HN 0.144 nan 8.300 nan 0.000 0.546 88 L N 0.924 122.130 121.223 -0.028 0.000 2.401 88 L HA 0.323 4.663 4.340 0.000 0.000 0.266 88 L C -0.426 176.335 176.870 -0.180 0.000 0.991 88 L CA -0.841 53.907 54.840 -0.154 0.000 0.818 88 L CB 2.285 44.291 42.059 -0.088 0.000 1.321 88 L HN -0.035 nan 8.230 nan 0.000 0.413 89 E N 1.152 121.238 120.200 -0.191 0.000 2.351 89 E HA 0.074 4.424 4.350 0.000 0.000 0.255 89 E C 0.170 176.618 176.600 -0.254 0.000 1.188 89 E CA -0.517 55.771 56.400 -0.187 0.000 0.940 89 E CB 0.876 30.495 29.700 -0.135 0.000 1.094 89 E HN 0.478 nan 8.360 nan 0.000 0.474 90 N N 0.633 119.210 118.700 -0.205 0.000 2.192 90 N HA -0.135 4.605 4.740 0.000 0.000 0.188 90 N C 1.133 176.548 175.510 -0.160 0.000 1.013 90 N CA 0.725 53.651 53.050 -0.206 0.000 0.863 90 N CB -0.056 38.354 38.487 -0.128 0.000 0.990 90 N HN 0.257 nan 8.380 nan 0.000 0.430 91 S N -1.183 114.445 115.700 -0.120 0.000 2.534 91 S HA 0.009 4.479 4.470 0.000 0.000 0.241 91 S C 1.094 175.669 174.600 -0.042 0.000 1.334 91 S CA 1.546 59.701 58.200 -0.076 0.000 0.978 91 S CB -0.164 62.988 63.200 -0.080 0.000 0.925 91 S HN 0.542 nan 8.310 nan 0.000 0.522 92 T N 0.567 115.079 114.554 -0.071 0.000 13.019 92 T HA -0.306 4.044 4.350 0.000 0.000 0.419 92 T C 1.090 175.812 174.700 0.038 0.000 1.441 92 T CA 2.211 64.253 62.100 -0.097 0.000 2.367 92 T CB -1.996 66.765 68.868 -0.179 0.000 2.820 92 T HN 0.511 nan 8.240 nan 0.000 0.680 93 F N 3.052 122.894 119.950 -0.180 0.000 2.135 93 F HA -0.183 4.344 4.527 0.000 0.000 0.300 93 F C 2.603 178.334 175.800 -0.114 0.000 1.074 93 F CA 1.986 59.909 58.000 -0.129 0.000 1.262 93 F CB -0.632 38.303 39.000 -0.109 0.000 1.013 93 F HN 0.623 nan 8.300 nan 0.000 0.489 94 E N 0.936 121.186 120.200 0.083 0.000 2.418 94 E HA -0.163 4.187 4.350 0.000 0.000 0.197 94 E C 2.052 178.629 176.600 -0.039 0.000 1.026 94 E CA 0.974 57.380 56.400 0.011 0.000 0.862 94 E CB -0.917 28.783 29.700 -0.001 0.000 0.799 94 E HN 0.482 nan 8.360 nan 0.000 0.518 95 I N 0.929 121.463 120.570 -0.060 0.000 2.179 95 I HA -0.239 3.931 4.170 0.000 0.000 0.242 95 I C 2.471 178.505 176.117 -0.138 0.000 1.088 95 I CA 1.985 63.233 61.300 -0.086 0.000 1.357 95 I CB -0.607 37.339 38.000 -0.089 0.000 1.051 95 I HN 0.141 nan 8.210 nan 0.000 0.409 96 F N 2.030 121.857 119.950 -0.205 0.000 2.873 96 F HA 0.601 5.128 4.527 0.000 0.000 0.289 96 F C 1.562 177.254 175.800 -0.180 0.000 1.206 96 F CA -0.123 57.683 58.000 -0.324 0.000 1.401 96 F CB -1.529 37.123 39.000 -0.579 0.000 0.996 96 F HN 0.285 nan 8.300 nan 0.000 0.511 97 G N 1.197 109.935 108.800 -0.104 0.000 2.665 97 G HA2 -0.433 3.527 3.960 0.000 0.000 0.326 97 G HA3 -0.433 3.527 3.960 0.000 0.000 0.326 97 G C 0.712 175.600 174.900 -0.020 0.000 1.231 97 G CA 0.897 45.968 45.100 -0.049 0.000 0.992 97 G HN 1.119 nan 8.290 nan 0.000 0.549 98 D N -0.180 120.215 120.400 -0.008 0.000 2.540 98 D HA 0.214 4.854 4.640 0.000 0.000 0.229 98 D C 1.622 177.931 176.300 0.015 0.000 1.250 98 D CA 1.126 55.133 54.000 0.011 0.000 0.817 98 D CB -0.070 40.734 40.800 0.007 0.000 1.060 98 D HN 0.880 nan 8.370 nan 0.000 0.508 99 S N 0.054 115.762 115.700 0.013 0.000 2.577 99 S HA 0.147 4.617 4.470 0.000 0.000 0.219 99 S C 0.804 175.441 174.600 0.061 0.000 0.962 99 S CA -0.529 57.699 58.200 0.047 0.000 0.921 99 S CB -0.323 62.931 63.200 0.090 0.000 0.789 99 S HN 0.083 nan 8.310 nan 0.000 0.497 100 I N 3.843 124.419 120.570 0.011 0.000 2.453 100 I HA 0.069 4.239 4.170 0.000 0.000 0.300 100 I C 1.730 177.853 176.117 0.010 0.000 1.159 100 I CA 0.163 61.444 61.300 -0.031 0.000 1.379 100 I CB -0.268 37.631 38.000 -0.167 0.000 1.460 100 I HN 0.451 nan 8.210 nan 0.000 0.601 101 S N 4.335 120.044 115.700 0.014 0.000 2.383 101 S HA -0.088 4.382 4.470 0.000 0.000 0.227 101 S C 0.706 175.318 174.600 0.020 0.000 1.026 101 S CA 1.231 59.422 58.200 -0.015 0.000 0.981 101 S CB 0.284 63.477 63.200 -0.012 0.000 0.818 101 S HN 0.774 nan 8.310 nan 0.000 0.472 102 D N -2.138 118.295 120.400 0.055 0.000 2.792 102 D HA 0.368 5.008 4.640 0.000 0.000 0.335 102 D C -1.862 174.547 176.300 0.182 0.000 1.353 102 D CA -0.464 53.617 54.000 0.135 0.000 0.839 102 D CB 1.024 41.879 40.800 0.090 0.000 1.396 102 D HN 0.302 nan 8.370 nan 0.000 0.479 103 Y N -1.292 119.079 120.300 0.119 0.000 2.544 103 Y HA 0.717 5.268 4.550 0.000 0.000 0.342 103 Y C -1.534 174.505 175.900 0.231 0.000 1.062 103 Y CA -0.829 57.362 58.100 0.152 0.000 1.023 103 Y CB 1.770 40.352 38.460 0.204 0.000 1.308 103 Y HN 0.156 nan 8.280 nan 0.000 0.457 104 S N 2.791 118.653 115.700 0.270 0.000 2.733 104 S HA 0.631 5.101 4.470 0.000 0.000 0.294 104 S C -1.691 173.251 174.600 0.569 0.000 1.149 104 S CA -0.599 57.767 58.200 0.277 0.000 1.034 104 S CB 0.965 64.330 63.200 0.276 0.000 1.015 104 S HN 0.687 nan 8.310 nan 0.000 0.486 105 V N 5.447 125.612 119.914 0.419 0.000 2.406 105 V HA 0.362 4.482 4.120 0.000 0.000 0.272 105 V C 0.760 176.776 176.094 -0.131 0.000 1.043 105 V CA -0.639 61.849 62.300 0.314 0.000 0.915 105 V CB 0.984 33.015 31.823 0.347 0.000 0.988 105 V HN 1.021 nan 8.190 nan 0.000 0.466 106 S N 7.175 122.436 115.700 -0.731 0.000 2.559 106 S HA 0.069 4.539 4.470 0.000 0.000 0.282 106 S C -1.128 173.155 174.600 -0.527 0.000 1.336 106 S CA -0.452 56.819 58.200 -1.548 0.000 1.037 106 S CB 0.315 62.470 63.200 -1.742 0.000 0.853 106 S HN 0.671 nan 8.310 nan 0.000 0.523 107 P HA -0.120 nan 4.420 nan 0.000 0.218 107 P C 0.649 177.905 177.300 -0.073 0.000 1.149 107 P CA 1.374 64.401 63.100 -0.122 0.000 0.817 107 P CB -0.262 31.401 31.700 -0.063 0.000 0.785 108 D N -0.306 120.044 120.400 -0.083 0.000 2.325 108 D HA -0.051 4.589 4.640 0.000 0.000 0.234 108 D C 0.459 176.756 176.300 -0.005 0.000 1.122 108 D CA -0.364 53.633 54.000 -0.004 0.000 0.850 108 D CB -0.775 40.070 40.800 0.075 0.000 0.921 108 D HN 0.077 nan 8.370 nan 0.000 0.513 109 R N -0.441 120.053 120.500 -0.011 0.000 3.804 109 R HA -0.204 4.136 4.340 0.000 0.000 0.286 109 R C 0.871 177.196 176.300 0.041 0.000 1.192 109 R CA 0.665 56.830 56.100 0.108 0.000 0.801 109 R CB -2.178 28.233 30.300 0.186 0.000 1.180 109 R HN 0.359 nan 8.270 nan 0.000 0.509 110 L N -1.134 120.013 121.223 -0.128 0.000 2.354 110 L HA 0.189 4.530 4.340 0.000 0.000 0.212 110 L C 0.571 176.975 176.870 -0.776 0.000 1.091 110 L CA 0.804 55.369 54.840 -0.460 0.000 0.828 110 L CB 0.134 41.846 42.059 -0.579 0.000 0.973 110 L HN -0.014 nan 8.230 nan 0.000 0.461 111 F N -1.730 118.149 119.950 -0.118 0.000 2.620 111 F HA 0.586 5.113 4.527 0.000 0.000 0.320 111 F C -0.343 175.563 175.800 0.177 0.000 1.069 111 F CA -1.109 56.904 58.000 0.020 0.000 0.953 111 F CB 1.628 40.701 39.000 0.123 0.000 1.322 111 F HN -0.551 nan 8.300 nan 0.000 0.479 112 V N 2.513 122.771 119.914 0.575 0.000 2.638 112 V HA 0.379 4.499 4.120 0.000 0.000 0.306 112 V C -0.617 175.825 176.094 0.579 0.000 1.052 112 V CA -0.795 61.855 62.300 0.582 0.000 0.885 112 V CB 2.101 34.214 31.823 0.482 0.000 0.999 112 V HN 0.564 nan 8.190 nan 0.000 0.424 113 L N 5.373 126.949 121.223 0.588 0.000 2.281 113 L HA 0.504 4.844 4.340 0.000 0.000 0.285 113 L C -0.765 176.296 176.870 0.319 0.000 1.074 113 L CA -0.301 54.764 54.840 0.373 0.000 0.817 113 L CB 1.014 43.205 42.059 0.220 0.000 1.168 113 L HN 0.488 nan 8.230 nan 0.000 0.434 114 L N 4.769 126.137 121.223 0.242 0.000 2.294 114 L HA 0.405 4.745 4.340 0.000 0.000 0.283 114 L C 0.045 176.987 176.870 0.120 0.000 1.015 114 L CA -0.335 54.559 54.840 0.091 0.000 0.831 114 L CB 1.560 43.590 42.059 -0.048 0.000 1.217 114 L HN 0.584 nan 8.230 nan 0.000 0.420 115 E N 4.173 124.390 120.200 0.028 0.000 2.301 115 E HA 0.475 4.825 4.350 0.000 0.000 0.275 115 E C -1.563 175.010 176.600 -0.044 0.000 1.030 115 E CA -0.401 55.852 56.400 -0.244 0.000 0.852 115 E CB 1.127 30.776 29.700 -0.085 0.000 1.060 115 E HN 0.455 nan 8.360 nan 0.000 0.401 116 Y N 0.856 120.947 120.300 -0.348 0.000 2.662 116 Y HA 0.333 4.883 4.550 0.000 0.000 0.334 116 Y C -0.662 175.149 175.900 -0.149 0.000 1.185 116 Y CA -1.330 56.658 58.100 -0.187 0.000 1.074 116 Y CB 0.621 38.983 38.460 -0.164 0.000 1.330 116 Y HN 0.599 nan 8.280 nan 0.000 0.458 117 N N -0.237 118.446 118.700 -0.028 0.000 2.815 117 N HA -0.281 4.459 4.740 0.000 0.000 0.249 117 N C -1.125 174.362 175.510 -0.037 0.000 1.114 117 N CA 0.909 53.916 53.050 -0.072 0.000 0.717 117 N CB -1.811 36.541 38.487 -0.225 0.000 1.074 117 N HN 0.899 nan 8.380 nan 0.000 0.555 118 Y N 0.322 120.552 120.300 -0.117 0.000 2.650 118 Y HA 0.301 4.851 4.550 0.000 0.000 0.331 118 Y C -0.020 175.851 175.900 -0.049 0.000 1.165 118 Y CA -0.150 57.895 58.100 -0.092 0.000 1.473 118 Y CB 0.574 38.913 38.460 -0.202 0.000 1.224 118 Y HN -0.027 nan 8.280 nan 0.000 0.533 119 V N 8.160 127.987 119.914 -0.144 0.000 2.409 119 V HA 0.197 4.317 4.120 0.000 0.000 0.290 119 V C -0.135 175.826 176.094 -0.222 0.000 1.017 119 V CA -1.295 60.967 62.300 -0.063 0.000 0.841 119 V CB 1.280 33.063 31.823 -0.067 0.000 1.003 119 V HN 0.776 nan 8.190 nan 0.000 0.426 120 K N 3.813 124.193 120.400 -0.032 0.000 2.230 120 K HA 0.338 4.658 4.320 0.000 0.000 0.253 120 K C -0.258 176.248 176.600 -0.156 0.000 1.008 120 K CA -0.100 56.179 56.287 -0.013 0.000 0.910 120 K CB 0.590 33.217 32.500 0.212 0.000 0.994 120 K HN 0.757 nan 8.250 nan 0.000 0.495 121 Q N 3.184 122.842 119.800 -0.237 0.000 2.686 121 Q HA 0.093 4.433 4.340 0.000 0.000 0.222 121 Q C -1.838 173.834 176.000 -0.547 0.000 0.777 121 Q CA -0.367 55.046 55.803 -0.649 0.000 1.018 121 Q CB 0.258 28.454 28.738 -0.904 0.000 1.563 121 Q HN 0.876 nan 8.270 nan 0.000 0.479 122 W N 1.178 122.509 121.300 0.053 0.000 3.116 122 W HA -0.325 4.335 4.660 0.000 0.000 0.320 122 W C 1.085 177.558 176.519 -0.076 0.000 0.078 122 W CA -0.277 57.082 57.345 0.024 0.000 0.459 122 W CB -0.755 28.646 29.460 -0.098 0.000 2.784 122 W HN 0.666 nan 8.180 nan 0.000 0.417 123 R N -0.460 120.079 120.500 0.066 0.000 2.083 123 R HA -0.178 4.162 4.340 0.000 0.000 0.237 123 R C 1.602 177.630 176.300 -0.452 0.000 1.137 123 R CA 2.500 58.420 56.100 -0.300 0.000 0.951 123 R CB -0.336 29.590 30.300 -0.624 0.000 0.851 123 R HN 0.531 nan 8.270 nan 0.000 0.434 124 H N -2.354 116.782 119.070 0.110 0.000 3.205 124 H HA 0.289 4.845 4.556 0.000 0.000 0.252 124 H C 0.214 175.634 175.328 0.153 0.000 1.015 124 H CA -0.245 55.900 56.048 0.162 0.000 1.192 124 H CB 0.673 30.512 29.762 0.128 0.000 1.474 124 H HN -0.034 nan 8.280 nan 0.000 0.484 125 S N 1.371 117.032 115.700 -0.065 0.000 2.584 125 S HA 0.311 4.781 4.470 0.000 0.000 0.270 125 S C -0.685 173.794 174.600 -0.201 0.000 1.346 125 S CA -0.168 57.702 58.200 -0.551 0.000 1.018 125 S CB 0.311 62.770 63.200 -1.235 0.000 0.899 125 S HN 0.510 nan 8.310 nan 0.000 0.542 126 Y N -2.486 117.644 120.300 -0.283 0.000 2.823 126 Y HA 0.489 5.039 4.550 0.000 0.000 0.377 126 Y C -0.979 174.816 175.900 -0.176 0.000 1.158 126 Y CA -1.192 56.683 58.100 -0.375 0.000 1.269 126 Y CB 0.212 38.215 38.460 -0.763 0.000 1.444 126 Y HN 0.711 nan 8.280 nan 0.000 0.497 127 T N 0.499 115.022 114.554 -0.050 0.000 2.863 127 T HA 1.017 5.367 4.350 0.000 0.000 0.285 127 T C -0.484 174.239 174.700 0.039 0.000 1.009 127 T CA 0.080 62.179 62.100 -0.001 0.000 0.989 127 T CB 1.687 70.543 68.868 -0.019 0.000 1.004 127 T HN 1.815 nan 8.240 nan 0.000 0.455 128 A N 1.832 124.683 122.820 0.052 0.000 2.524 128 A HA 0.910 5.230 4.320 0.000 0.000 0.289 128 A C -0.486 176.897 177.584 -0.336 0.000 1.248 128 A CA -0.983 50.958 52.037 -0.159 0.000 0.712 128 A CB 1.296 20.167 19.000 -0.216 0.000 1.312 128 A HN 0.878 nan 8.150 nan 0.000 0.441 129 S N -1.018 114.205 115.700 -0.795 0.000 2.532 129 S HA 0.783 5.253 4.470 0.000 0.000 0.301 129 S C -1.655 172.253 174.600 -1.153 0.000 1.083 129 S CA -0.110 57.542 58.200 -0.914 0.000 1.025 129 S CB 0.872 63.261 63.200 -1.352 0.000 1.056 129 S HN 0.442 nan 8.310 nan 0.000 0.494 130 Y N 0.155 120.253 120.300 -0.338 0.000 2.545 130 Y HA 0.631 5.182 4.550 0.000 0.000 0.348 130 Y C 0.191 176.149 175.900 0.097 0.000 1.002 130 Y CA -0.709 57.350 58.100 -0.068 0.000 1.039 130 Y CB 2.200 40.545 38.460 -0.191 0.000 1.271 130 Y HN 0.546 nan 8.280 nan 0.000 0.467 131 S N 2.588 118.461 115.700 0.287 0.000 2.541 131 S HA 0.622 5.092 4.470 0.000 0.000 0.280 131 S C -1.467 173.228 174.600 0.158 0.000 1.112 131 S CA -0.660 57.642 58.200 0.170 0.000 0.925 131 S CB 1.208 64.477 63.200 0.115 0.000 1.067 131 S HN 0.335 nan 8.310 nan 0.000 0.479 132 I N 3.214 123.854 120.570 0.116 0.000 2.330 132 I HA 0.280 4.450 4.170 0.000 0.000 0.289 132 I C -0.725 175.530 176.117 0.230 0.000 1.001 132 I CA -0.570 60.834 61.300 0.174 0.000 1.193 132 I CB 0.569 38.600 38.000 0.052 0.000 1.345 132 I HN 0.712 nan 8.210 nan 0.000 0.461 133 Y N 5.634 126.050 120.300 0.193 0.000 2.341 133 Y HA 0.275 4.825 4.550 0.000 0.000 0.340 133 Y C 0.265 176.269 175.900 0.173 0.000 0.997 133 Y CA -0.480 57.702 58.100 0.136 0.000 1.149 133 Y CB 0.788 39.298 38.460 0.083 0.000 1.171 133 Y HN 0.499 nan 8.280 nan 0.000 0.494 134 D N 6.990 127.096 120.400 -0.490 0.000 2.374 134 D HA 0.072 4.712 4.640 0.000 0.000 0.240 134 D C 0.973 176.815 176.300 -0.763 0.000 1.229 134 D CA 0.343 54.078 54.000 -0.441 0.000 0.895 134 D CB 0.598 41.278 40.800 -0.199 0.000 1.046 134 D HN 0.871 nan 8.370 nan 0.000 0.498 135 L N 3.554 124.463 121.223 -0.524 0.000 1.971 135 L HA -0.260 4.080 4.340 0.000 0.000 0.215 135 L C 2.176 178.863 176.870 -0.305 0.000 1.072 135 L CA 1.260 55.913 54.840 -0.312 0.000 0.758 135 L CB -0.557 41.333 42.059 -0.282 0.000 0.889 135 L HN 0.414 nan 8.230 nan 0.000 0.433 136 N N 0.467 118.962 118.700 -0.341 0.000 2.018 136 N HA -0.268 4.472 4.740 0.000 0.000 0.196 136 N C 1.730 177.124 175.510 -0.194 0.000 1.043 136 N CA 1.601 54.505 53.050 -0.243 0.000 0.856 136 N CB -0.053 38.278 38.487 -0.260 0.000 1.042 136 N HN -0.002 nan 8.380 nan 0.000 0.423 137 K N 0.979 121.253 120.400 -0.210 0.000 2.555 137 K HA 0.104 4.424 4.320 0.000 0.000 0.193 137 K C -0.399 176.102 176.600 -0.165 0.000 1.032 137 K CA 0.269 56.470 56.287 -0.143 0.000 1.004 137 K CB 0.001 32.454 32.500 -0.078 0.000 0.804 137 K HN 0.165 nan 8.250 nan 0.000 0.496 138 R N 0.817 121.168 120.500 -0.249 0.000 3.264 138 R HA -0.237 4.103 4.340 0.000 0.000 0.251 138 R C -1.030 175.183 176.300 -0.146 0.000 0.971 138 R CA 1.185 57.182 56.100 -0.173 0.000 0.658 138 R CB -1.954 28.332 30.300 -0.023 0.000 1.095 138 R HN 0.591 nan 8.270 nan 0.000 0.443 139 Q N -1.585 117.931 119.800 -0.474 0.000 2.900 139 Q HA 0.428 4.768 4.340 0.000 0.000 0.297 139 Q C -1.094 174.774 176.000 -0.219 0.000 0.889 139 Q CA -1.075 54.649 55.803 -0.131 0.000 0.777 139 Q CB 0.677 29.405 28.738 -0.016 0.000 1.518 139 Q HN 0.112 nan 8.270 nan 0.000 0.430 140 L N 1.941 123.218 121.223 0.089 0.000 2.361 140 L HA 0.371 4.711 4.340 0.000 0.000 0.278 140 L C -0.138 176.760 176.870 0.047 0.000 1.113 140 L CA -0.489 54.418 54.840 0.111 0.000 0.849 140 L CB 0.114 42.258 42.059 0.141 0.000 1.155 140 L HN 0.569 nan 8.230 nan 0.000 0.452 141 I N 2.828 123.413 120.570 0.026 0.000 2.775 141 I HA -0.107 4.063 4.170 0.000 0.000 0.290 141 I C 1.222 177.353 176.117 0.023 0.000 1.203 141 I CA 0.683 61.991 61.300 0.014 0.000 1.433 141 I CB 0.680 38.601 38.000 -0.133 0.000 1.354 141 I HN 0.650 nan 8.210 nan 0.000 0.579 142 T N 3.163 117.743 114.554 0.043 0.000 3.058 142 T HA 0.125 4.475 4.350 0.000 0.000 0.278 142 T C 0.980 175.688 174.700 0.014 0.000 0.974 142 T CA 0.004 62.117 62.100 0.022 0.000 0.893 142 T CB 0.118 69.000 68.868 0.023 0.000 1.138 142 T HN 0.602 nan 8.240 nan 0.000 0.529 143 E N 1.536 121.758 120.200 0.037 0.000 2.086 143 E HA 0.098 4.448 4.350 0.000 0.000 0.223 143 E C 0.579 177.172 176.600 -0.012 0.000 0.881 143 E CA 0.569 56.985 56.400 0.026 0.000 1.137 143 E CB 0.006 29.747 29.700 0.070 0.000 0.985 143 E HN 0.208 nan 8.360 nan 0.000 0.559 144 E N 2.405 122.597 120.200 -0.013 0.000 1.858 144 E HA 0.024 4.374 4.350 0.000 0.000 0.278 144 E C -0.545 176.001 176.600 -0.089 0.000 1.172 144 E CA 0.199 56.569 56.400 -0.050 0.000 1.127 144 E CB -0.409 29.271 29.700 -0.033 0.000 1.084 144 E HN 0.185 nan 8.360 nan 0.000 0.455 145 K N 1.088 121.425 120.400 -0.105 0.000 2.187 145 K HA 0.214 4.534 4.320 0.000 0.000 0.247 145 K C 0.817 177.276 176.600 -0.234 0.000 1.019 145 K CA -0.258 55.947 56.287 -0.138 0.000 0.893 145 K CB 0.880 33.313 32.500 -0.111 0.000 1.025 145 K HN 0.380 nan 8.250 nan 0.000 0.500 146 I N 2.658 123.053 120.570 -0.292 0.000 2.315 146 I HA 0.205 4.375 4.170 0.000 0.000 0.291 146 I C -2.042 173.763 176.117 -0.519 0.000 1.006 146 I CA -2.457 58.530 61.300 -0.521 0.000 1.265 146 I CB 1.196 38.825 38.000 -0.619 0.000 1.387 146 I HN 0.423 nan 8.210 nan 0.000 0.475 147 P HA -0.160 nan 4.420 nan 0.000 0.265 147 P C -0.382 176.646 177.300 -0.454 0.000 1.151 147 P CA 0.636 63.262 63.100 -0.790 0.000 0.755 147 P CB 0.293 31.027 31.700 -1.609 0.000 0.756 148 N N 1.914 120.448 118.700 -0.278 0.000 2.567 148 N HA -0.040 4.700 4.740 0.000 0.000 0.195 148 N C 0.523 176.015 175.510 -0.030 0.000 1.242 148 N CA -0.073 52.895 53.050 -0.138 0.000 0.884 148 N CB -0.094 38.339 38.487 -0.089 0.000 1.007 148 N HN 0.348 nan 8.380 nan 0.000 0.450 149 N N -0.025 118.745 118.700 0.115 0.000 2.390 149 N HA 0.025 4.765 4.740 0.000 0.000 0.259 149 N C -1.041 174.654 175.510 0.308 0.000 1.395 149 N CA 0.047 53.224 53.050 0.212 0.000 0.852 149 N CB 0.857 39.506 38.487 0.271 0.000 1.371 149 N HN -0.038 nan 8.380 nan 0.000 0.491 150 T N 1.061 115.771 114.554 0.260 0.000 2.923 150 T HA -0.039 4.311 4.350 0.000 0.000 0.304 150 T C 1.556 176.362 174.700 0.176 0.000 1.044 150 T CA 0.764 63.014 62.100 0.249 0.000 1.141 150 T CB 1.065 69.946 68.868 0.023 0.000 1.023 150 T HN 0.222 nan 8.240 nan 0.000 0.533 151 Q N 1.303 121.197 119.800 0.156 0.000 2.376 151 Q HA 0.168 4.508 4.340 0.000 0.000 0.206 151 Q C 0.131 176.181 176.000 0.084 0.000 0.921 151 Q CA 0.248 56.118 55.803 0.112 0.000 0.911 151 Q CB 0.743 29.509 28.738 0.046 0.000 1.032 151 Q HN 0.749 nan 8.270 nan 0.000 0.510 152 W N -0.141 121.052 121.300 -0.178 0.000 3.736 152 W HA 0.433 5.093 4.660 0.000 0.000 0.276 152 W C -2.506 173.894 176.519 -0.198 0.000 1.268 152 W CA -0.720 56.481 57.345 -0.240 0.000 1.216 152 W CB 0.604 29.853 29.460 -0.352 0.000 1.284 152 W HN -0.088 nan 8.180 nan 0.000 0.562 153 I N 4.108 123.979 120.570 -1.164 0.000 2.994 153 I HA 0.763 4.933 4.170 0.000 0.000 0.306 153 I C -1.375 174.065 176.117 -1.128 0.000 1.195 153 I CA -0.200 60.535 61.300 -0.942 0.000 1.001 153 I CB 2.613 40.024 38.000 -0.981 0.000 1.244 153 I HN 0.394 nan 8.210 nan 0.000 0.437 154 T N 3.614 117.813 114.554 -0.592 0.000 2.977 154 T HA 0.349 4.699 4.350 0.000 0.000 0.345 154 T C -1.849 172.796 174.700 -0.093 0.000 1.562 154 T CA -0.369 61.540 62.100 -0.319 0.000 1.090 154 T CB 0.480 69.347 68.868 -0.002 0.000 1.383 154 T HN 0.544 nan 8.240 nan 0.000 0.484 155 W N 2.728 124.024 121.300 -0.007 0.000 2.129 155 W HA 0.524 5.184 4.660 0.000 0.000 0.349 155 W C 1.347 177.720 176.519 -0.244 0.000 1.279 155 W CA -0.417 56.876 57.345 -0.088 0.000 1.306 155 W CB 0.638 30.064 29.460 -0.056 0.000 1.140 155 W HN 0.815 nan 8.180 nan 0.000 0.613 156 S N 0.053 115.543 115.700 -0.350 0.000 2.634 156 S HA 0.079 4.549 4.470 0.000 0.000 0.261 156 S C 0.584 175.035 174.600 -0.249 0.000 1.271 156 S CA -0.436 57.196 58.200 -0.946 0.000 0.985 156 S CB 0.876 63.366 63.200 -1.183 0.000 0.968 156 S HN 0.665 nan 8.310 nan 0.000 0.568 157 Q N -0.059 119.648 119.800 -0.155 0.000 2.378 157 Q HA -0.015 4.325 4.340 0.000 0.000 0.205 157 Q C 0.906 176.877 176.000 -0.050 0.000 0.954 157 Q CA 0.980 56.776 55.803 -0.011 0.000 0.901 157 Q CB -0.004 28.764 28.738 0.049 0.000 0.981 157 Q HN 0.712 nan 8.270 nan 0.000 0.483 158 E N -0.155 119.967 120.200 -0.130 0.000 2.611 158 E HA 0.101 4.451 4.350 0.000 0.000 0.284 158 E C 1.273 177.797 176.600 -0.126 0.000 0.800 158 E CA 0.647 56.977 56.400 -0.116 0.000 1.264 158 E CB -0.911 28.705 29.700 -0.140 0.000 1.735 158 E HN 0.198 nan 8.360 nan 0.000 0.526 159 G N 0.657 109.340 108.800 -0.194 0.000 2.948 159 G HA2 -0.049 3.911 3.960 0.000 0.000 0.174 159 G HA3 -0.049 3.911 3.960 0.000 0.000 0.174 159 G C 0.134 174.953 174.900 -0.135 0.000 1.839 159 G CA 0.548 45.538 45.100 -0.182 0.000 0.908 159 G HN 0.518 nan 8.290 nan 0.000 0.419 160 H N -0.384 118.667 119.070 -0.033 0.000 2.676 160 H HA 0.451 5.007 4.556 0.000 0.000 0.238 160 H C -0.297 175.167 175.328 0.227 0.000 1.276 160 H CA -0.470 55.625 56.048 0.078 0.000 0.983 160 H CB -0.219 29.568 29.762 0.041 0.000 2.000 160 H HN 0.152 nan 8.280 nan 0.000 0.584 161 K N 1.751 122.101 120.400 -0.082 0.000 2.249 161 K HA 0.463 4.783 4.320 0.000 0.000 0.280 161 K C -0.442 176.111 176.600 -0.079 0.000 1.033 161 K CA -0.389 55.773 56.287 -0.207 0.000 0.946 161 K CB 1.536 33.638 32.500 -0.664 0.000 1.005 161 K HN 0.199 nan 8.250 nan 0.000 0.469 162 L N 2.030 123.276 121.223 0.038 0.000 2.362 162 L HA 0.638 4.979 4.340 0.000 0.000 0.271 162 L C -0.691 176.366 176.870 0.311 0.000 1.002 162 L CA -0.890 53.970 54.840 0.035 0.000 0.818 162 L CB 2.047 43.980 42.059 -0.210 0.000 1.298 162 L HN 0.668 nan 8.230 nan 0.000 0.420 163 A N 2.765 125.770 122.820 0.308 0.000 2.374 163 A HA 0.817 5.137 4.320 0.000 0.000 0.305 163 A C -1.646 175.973 177.584 0.057 0.000 1.053 163 A CA -0.388 51.735 52.037 0.143 0.000 0.726 163 A CB 1.326 20.336 19.000 0.016 0.000 1.229 163 A HN 0.650 nan 8.150 nan 0.000 0.431 164 Y N -0.409 119.863 120.300 -0.046 0.000 2.571 164 Y HA 0.729 5.279 4.550 0.000 0.000 0.341 164 Y C -1.342 174.596 175.900 0.063 0.000 1.076 164 Y CA -1.549 56.503 58.100 -0.081 0.000 1.029 164 Y CB 0.919 39.256 38.460 -0.206 0.000 1.308 164 Y HN 0.423 nan 8.280 nan 0.000 0.461 165 V N 2.769 122.840 119.914 0.263 0.000 2.483 165 V HA 0.422 4.542 4.120 0.000 0.000 0.295 165 V C -1.328 175.000 176.094 0.390 0.000 1.035 165 V CA -0.546 61.881 62.300 0.213 0.000 0.896 165 V CB 1.370 33.204 31.823 0.019 0.000 0.986 165 V HN 0.888 nan 8.190 nan 0.000 0.447 166 W N 5.333 126.760 121.300 0.212 0.000 3.211 166 W HA 0.544 5.204 4.660 0.000 0.000 0.335 166 W C 0.031 176.623 176.519 0.121 0.000 1.113 166 W CA -1.018 56.409 57.345 0.136 0.000 1.235 166 W CB 1.263 30.779 29.460 0.093 0.000 1.365 166 W HN 0.529 nan 8.180 nan 0.000 0.476 167 K N 5.241 125.242 120.400 -0.665 0.000 3.096 167 K HA -0.307 4.013 4.320 0.000 0.000 0.266 167 K C 0.308 176.730 176.600 -0.296 0.000 1.043 167 K CA 1.458 57.363 56.287 -0.638 0.000 0.758 167 K CB -1.682 30.242 32.500 -0.960 0.000 1.260 167 K HN 0.915 nan 8.250 nan 0.000 0.481 168 N N -0.557 118.021 118.700 -0.204 0.000 2.815 168 N HA -0.174 4.566 4.740 0.000 0.000 0.247 168 N C -0.584 174.851 175.510 -0.124 0.000 1.030 168 N CA 1.896 54.844 53.050 -0.170 0.000 0.881 168 N CB -0.389 37.934 38.487 -0.273 0.000 1.134 168 N HN 0.490 nan 8.380 nan 0.000 0.582 169 D N -0.095 120.265 120.400 -0.068 0.000 2.252 169 D HA 0.452 5.092 4.640 0.000 0.000 0.245 169 D C 0.529 176.707 176.300 -0.203 0.000 1.009 169 D CA -0.444 53.460 54.000 -0.160 0.000 0.870 169 D CB 1.220 41.910 40.800 -0.183 0.000 1.251 169 D HN 0.026 nan 8.370 nan 0.000 0.460 170 I N 1.886 122.177 120.570 -0.465 0.000 2.428 170 I HA 0.202 4.372 4.170 0.000 0.000 0.289 170 I C -0.600 175.070 176.117 -0.746 0.000 1.019 170 I CA -0.371 60.628 61.300 -0.503 0.000 1.351 170 I CB 0.462 38.080 38.000 -0.637 0.000 1.412 170 I HN 0.163 nan 8.210 nan 0.000 0.513 171 Y N 4.136 124.088 120.300 -0.580 0.000 2.536 171 Y HA 0.653 5.203 4.550 0.000 0.000 0.347 171 Y C -0.271 175.299 175.900 -0.550 0.000 1.000 171 Y CA -0.923 56.784 58.100 -0.654 0.000 1.051 171 Y CB 2.051 39.842 38.460 -1.114 0.000 1.259 171 Y HN 0.124 nan 8.280 nan 0.000 0.468 172 V N 2.734 122.584 119.914 -0.107 0.000 2.709 172 V HA 0.487 4.607 4.120 0.000 0.000 0.308 172 V C -0.963 175.226 176.094 0.159 0.000 1.062 172 V CA -1.410 60.917 62.300 0.045 0.000 0.901 172 V CB 2.170 34.041 31.823 0.081 0.000 1.003 172 V HN 0.609 nan 8.190 nan 0.000 0.425 173 K N 4.361 124.865 120.400 0.173 0.000 2.559 173 K HA 0.427 4.747 4.320 0.000 0.000 0.249 173 K C 0.223 176.897 176.600 0.125 0.000 0.958 173 K CA -0.583 55.799 56.287 0.159 0.000 0.901 173 K CB 2.215 34.776 32.500 0.101 0.000 1.124 173 K HN 0.428 nan 8.250 nan 0.000 0.437 174 I N 1.366 122.010 120.570 0.123 0.000 2.335 174 I HA -0.271 3.899 4.170 0.000 0.000 0.251 174 I C 0.788 176.932 176.117 0.045 0.000 1.129 174 I CA 1.449 62.782 61.300 0.054 0.000 1.402 174 I CB -0.186 37.836 38.000 0.037 0.000 1.069 174 I HN 0.672 nan 8.210 nan 0.000 0.424 175 E N -1.427 118.829 120.200 0.093 0.000 2.372 175 E HA 0.301 4.651 4.350 0.000 0.000 0.279 175 E C -2.392 174.201 176.600 -0.012 0.000 0.946 175 E CA -1.626 54.861 56.400 0.144 0.000 0.769 175 E CB 1.486 31.323 29.700 0.228 0.000 1.230 175 E HN -0.298 nan 8.360 nan 0.000 0.442 176 P HA -0.191 nan 4.420 nan 0.000 0.218 176 P C 0.471 177.596 177.300 -0.291 0.000 1.146 176 P CA 1.318 64.189 63.100 -0.382 0.000 0.820 176 P CB 0.069 31.263 31.700 -0.842 0.000 0.778 177 H N -1.791 117.236 119.070 -0.072 0.000 2.497 177 H HA 0.148 4.704 4.556 0.000 0.000 0.282 177 H C 1.112 176.436 175.328 -0.007 0.000 1.003 177 H CA 0.313 56.349 56.048 -0.019 0.000 1.307 177 H CB -0.297 29.472 29.762 0.012 0.000 1.437 177 H HN 0.161 nan 8.280 nan 0.000 0.544 178 L N 2.988 124.284 121.223 0.122 0.000 2.464 178 L HA 0.155 4.495 4.340 0.000 0.000 0.264 178 L C -1.846 175.056 176.870 0.053 0.000 1.199 178 L CA -1.804 53.092 54.840 0.093 0.000 0.818 178 L CB 0.076 42.206 42.059 0.117 0.000 1.102 178 L HN -0.022 nan 8.230 nan 0.000 0.473 179 P HA 0.088 nan 4.420 nan 0.000 0.274 179 P C -0.715 176.543 177.300 -0.070 0.000 1.231 179 P CA -0.415 62.660 63.100 -0.041 0.000 0.790 179 P CB 0.999 32.649 31.700 -0.083 0.000 0.951 180 S N 1.283 116.945 115.700 -0.063 0.000 2.568 180 S HA 0.099 4.569 4.470 0.000 0.000 0.282 180 S C 0.166 174.663 174.600 -0.172 0.000 1.338 180 S CA 0.037 58.236 58.200 -0.001 0.000 1.045 180 S CB -0.335 62.909 63.200 0.073 0.000 0.873 180 S HN 0.435 nan 8.310 nan 0.000 0.516 181 H N 2.087 121.197 119.070 0.066 0.000 2.762 181 H HA 0.231 4.787 4.556 0.000 0.000 0.310 181 H C 0.039 175.329 175.328 -0.064 0.000 1.004 181 H CA -0.488 55.567 56.048 0.013 0.000 1.267 181 H CB 0.819 30.576 29.762 -0.008 0.000 1.437 181 H HN 0.501 nan 8.280 nan 0.000 0.498 182 R N 3.664 124.145 120.500 -0.030 0.000 2.421 182 R HA 0.032 4.372 4.340 0.000 0.000 0.305 182 R C 0.607 176.714 176.300 -0.322 0.000 1.039 182 R CA -0.127 55.765 56.100 -0.347 0.000 1.003 182 R CB 0.206 30.358 30.300 -0.248 0.000 0.959 182 R HN 0.510 nan 8.270 nan 0.000 0.427 183 I N 2.615 122.904 120.570 -0.468 0.000 3.035 183 I HA -0.009 4.161 4.170 0.000 0.000 0.271 183 I C 0.932 176.817 176.117 -0.387 0.000 1.190 183 I CA 0.865 61.944 61.300 -0.368 0.000 1.472 183 I CB -0.541 37.204 38.000 -0.424 0.000 1.116 183 I HN 0.691 nan 8.210 nan 0.000 0.443 184 T N -1.985 112.290 114.554 -0.466 0.000 2.883 184 T HA 0.527 4.877 4.350 0.000 0.000 0.296 184 T C 0.224 174.742 174.700 -0.304 0.000 1.117 184 T CA -0.096 61.785 62.100 -0.366 0.000 1.006 184 T CB 2.305 70.932 68.868 -0.401 0.000 1.191 184 T HN 0.052 nan 8.240 nan 0.000 0.508 185 S N -1.530 114.048 115.700 -0.202 0.000 2.993 185 S HA 0.139 4.609 4.470 0.000 0.000 0.257 185 S C 1.234 175.774 174.600 -0.100 0.000 0.997 185 S CA 0.298 58.416 58.200 -0.138 0.000 1.191 185 S CB -0.462 62.678 63.200 -0.101 0.000 1.143 185 S HN 1.030 nan 8.310 nan 0.000 0.655 186 T N -0.821 113.669 114.554 -0.106 0.000 3.081 186 T HA 0.341 4.691 4.350 0.000 0.000 0.250 186 T C 1.190 175.850 174.700 -0.067 0.000 1.100 186 T CA 0.354 62.413 62.100 -0.068 0.000 1.038 186 T CB -0.431 68.407 68.868 -0.051 0.000 0.962 186 T HN 0.538 nan 8.240 nan 0.000 0.516 187 G N 1.328 110.068 108.800 -0.100 0.000 2.287 187 G HA2 0.326 4.286 3.960 0.000 0.000 0.235 187 G HA3 0.326 4.286 3.960 0.000 0.000 0.235 187 G C -0.578 174.242 174.900 -0.133 0.000 1.258 187 G CA -0.307 44.719 45.100 -0.124 0.000 0.884 187 G HN 0.605 nan 8.290 nan 0.000 0.518 188 K N 1.659 121.953 120.400 -0.175 0.000 2.575 188 K HA 0.152 4.472 4.320 0.000 0.000 0.255 188 K C -0.329 176.126 176.600 -0.242 0.000 0.953 188 K CA -0.693 55.499 56.287 -0.159 0.000 0.840 188 K CB 1.586 34.043 32.500 -0.072 0.000 1.303 188 K HN 0.648 nan 8.250 nan 0.000 0.438 189 E N 3.623 123.692 120.200 -0.219 0.000 2.558 189 E HA -0.129 4.221 4.350 0.000 0.000 0.255 189 E C -0.379 176.143 176.600 -0.129 0.000 0.968 189 E CA 0.637 56.893 56.400 -0.241 0.000 0.939 189 E CB 0.179 29.768 29.700 -0.185 0.000 0.921 189 E HN 0.679 nan 8.360 nan 0.000 0.477 190 N N 2.037 120.652 118.700 -0.141 0.000 2.778 190 N HA -0.201 4.539 4.740 0.000 0.000 0.249 190 N C -0.031 175.667 175.510 0.314 0.000 1.069 190 N CA 1.123 54.305 53.050 0.221 0.000 0.831 190 N CB -1.062 37.565 38.487 0.234 0.000 1.142 190 N HN 0.340 nan 8.380 nan 0.000 0.573 191 V N -1.442 118.551 119.914 0.130 0.000 3.658 191 V HA 0.295 4.415 4.120 0.000 0.000 0.197 191 V C 0.484 176.726 176.094 0.247 0.000 1.295 191 V CA 0.334 62.758 62.300 0.208 0.000 1.298 191 V CB 0.662 32.554 31.823 0.114 0.000 1.347 191 V HN 0.018 nan 8.190 nan 0.000 0.548 192 I N 1.543 122.143 120.570 0.049 0.000 2.389 192 I HA 0.486 4.656 4.170 0.000 0.000 0.288 192 I C -1.357 174.764 176.117 0.006 0.000 0.999 192 I CA -0.451 60.930 61.300 0.134 0.000 1.129 192 I CB 0.956 38.995 38.000 0.065 0.000 1.288 192 I HN 0.102 nan 8.210 nan 0.000 0.444 193 F N 5.004 125.062 119.950 0.180 0.000 2.411 193 F HA 0.429 4.956 4.527 0.000 0.000 0.352 193 F C 0.622 176.518 175.800 0.159 0.000 1.123 193 F CA -0.651 57.460 58.000 0.185 0.000 1.044 193 F CB 1.021 40.196 39.000 0.292 0.000 1.135 193 F HN 0.318 nan 8.300 nan 0.000 0.461 194 N N 2.135 120.930 118.700 0.159 0.000 2.479 194 N HA 0.373 5.113 4.740 0.000 0.000 0.261 194 N C 0.789 176.273 175.510 -0.044 0.000 0.979 194 N CA 0.189 53.264 53.050 0.043 0.000 0.930 194 N CB 1.851 40.256 38.487 -0.137 0.000 1.172 194 N HN 0.879 nan 8.380 nan 0.000 0.499 195 G N 1.641 110.444 108.800 0.004 0.000 2.184 195 G HA2 -0.251 3.709 3.960 0.000 0.000 0.264 195 G HA3 -0.251 3.709 3.960 0.000 0.000 0.264 195 G C 0.101 174.864 174.900 -0.227 0.000 0.975 195 G CA 0.791 45.806 45.100 -0.143 0.000 0.642 195 G HN 0.653 nan 8.290 nan 0.000 0.536 196 I N -3.644 116.881 120.570 -0.076 0.000 2.969 196 I HA 0.626 4.796 4.170 0.000 0.000 0.307 196 I C -0.725 175.454 176.117 0.103 0.000 1.149 196 I CA -1.606 59.562 61.300 -0.220 0.000 1.008 196 I CB 1.754 39.479 38.000 -0.457 0.000 1.232 196 I HN -0.140 nan 8.210 nan 0.000 0.435 197 N N 3.064 121.786 118.700 0.037 0.000 2.509 197 N HA 0.188 4.929 4.740 0.000 0.000 0.287 197 N C -0.858 174.481 175.510 -0.286 0.000 1.121 197 N CA -0.331 52.585 53.050 -0.223 0.000 0.977 197 N CB 1.193 39.645 38.487 -0.059 0.000 1.167 197 N HN 0.772 nan 8.380 nan 0.000 0.476 198 D N -0.144 119.754 120.400 -0.836 0.000 2.380 198 D HA -0.075 4.565 4.640 0.000 0.000 0.254 198 D C 1.149 177.311 176.300 -0.230 0.000 1.288 198 D CA -0.400 53.044 54.000 -0.926 0.000 1.008 198 D CB 0.603 40.800 40.800 -1.005 0.000 1.099 198 D HN 0.505 nan 8.370 nan 0.000 0.537 199 W N 0.366 121.546 121.300 -0.201 0.000 2.311 199 W HA -0.249 4.411 4.660 0.000 0.000 0.326 199 W C 2.393 178.802 176.519 -0.184 0.000 1.239 199 W CA 2.602 59.848 57.345 -0.165 0.000 1.258 199 W CB -0.695 28.622 29.460 -0.238 0.000 1.165 199 W HN 0.201 nan 8.180 nan 0.000 0.466 200 V N 0.045 120.082 119.914 0.205 0.000 2.392 200 V HA -0.344 3.776 4.120 0.000 0.000 0.249 200 V C 1.967 177.912 176.094 -0.248 0.000 1.059 200 V CA 2.266 64.558 62.300 -0.012 0.000 1.051 200 V CB -0.832 30.962 31.823 -0.049 0.000 0.658 200 V HN 0.353 nan 8.190 nan 0.000 0.455 201 Y N 0.466 120.602 120.300 -0.273 0.000 2.242 201 Y HA -0.183 4.367 4.550 0.000 0.000 0.291 201 Y C 2.635 178.427 175.900 -0.181 0.000 1.137 201 Y CA 2.205 60.141 58.100 -0.274 0.000 1.181 201 Y CB -0.085 38.120 38.460 -0.427 0.000 0.989 201 Y HN 0.383 nan 8.280 nan 0.000 0.527 202 E N 0.160 120.327 120.200 -0.055 0.000 2.047 202 E HA -0.268 4.082 4.350 0.000 0.000 0.191 202 E C 1.950 178.499 176.600 -0.085 0.000 0.987 202 E CA 1.459 57.848 56.400 -0.018 0.000 0.799 202 E CB 0.033 29.705 29.700 -0.047 0.000 0.752 202 E HN 0.357 nan 8.360 nan 0.000 0.449 203 E N 0.186 120.158 120.200 -0.379 0.000 2.076 203 E HA -0.135 4.215 4.350 0.000 0.000 0.190 203 E C 1.645 178.125 176.600 -0.201 0.000 0.979 203 E CA 1.347 57.509 56.400 -0.397 0.000 0.807 203 E CB 0.222 29.329 29.700 -0.987 0.000 0.761 203 E HN 0.221 nan 8.360 nan 0.000 0.454 204 E N -0.661 119.398 120.200 -0.234 0.000 2.372 204 E HA 0.084 4.434 4.350 0.000 0.000 0.201 204 E C 1.835 178.295 176.600 -0.233 0.000 0.938 204 E CA 0.104 56.402 56.400 -0.169 0.000 0.944 204 E CB 0.391 29.977 29.700 -0.190 0.000 0.937 204 E HN 0.270 nan 8.360 nan 0.000 0.495 205 I N 0.206 120.563 120.570 -0.355 0.000 2.594 205 I HA 0.071 4.241 4.170 0.000 0.000 0.237 205 I C 1.091 176.981 176.117 -0.378 0.000 1.071 205 I CA 0.674 61.676 61.300 -0.497 0.000 1.427 205 I CB -0.788 36.733 38.000 -0.799 0.000 1.218 205 I HN -0.127 nan 8.210 nan 0.000 0.444 206 F N 0.099 120.066 119.950 0.030 0.000 2.380 206 F HA 0.482 5.009 4.527 0.000 0.000 0.321 206 F C 1.513 177.277 175.800 -0.059 0.000 1.103 206 F CA -0.552 57.468 58.000 0.034 0.000 1.067 206 F CB 0.817 39.873 39.000 0.094 0.000 1.265 206 F HN -0.033 nan 8.300 nan 0.000 0.517 207 G N -0.036 108.812 108.800 0.080 0.000 3.233 207 G HA2 0.499 4.459 3.960 0.000 0.000 0.227 207 G HA3 0.499 4.459 3.960 0.000 0.000 0.227 207 G C -0.055 174.449 174.900 -0.660 0.000 1.175 207 G CA 0.505 45.481 45.100 -0.206 0.000 0.781 207 G HN 0.764 nan 8.290 nan 0.000 0.542 208 A N -1.025 121.635 122.820 -0.267 0.000 2.525 208 A HA 0.621 4.941 4.320 0.000 0.000 0.291 208 A C 0.129 177.701 177.584 -0.020 0.000 1.268 208 A CA -0.559 51.333 52.037 -0.242 0.000 0.712 208 A CB 0.279 19.144 19.000 -0.224 0.000 1.320 208 A HN -0.016 nan 8.150 nan 0.000 0.456 209 Y N 0.698 120.855 120.300 -0.238 0.000 2.365 209 Y HA 0.192 4.742 4.550 0.000 0.000 0.293 209 Y C 1.552 177.129 175.900 -0.538 0.000 1.119 209 Y CA 0.801 58.741 58.100 -0.266 0.000 1.203 209 Y CB -0.263 38.078 38.460 -0.197 0.000 1.026 209 Y HN 0.518 nan 8.280 nan 0.000 0.549 210 S N 0.471 115.611 115.700 -0.933 0.000 2.549 210 S HA 0.417 4.887 4.470 0.000 0.000 0.283 210 S C 0.421 174.451 174.600 -0.951 0.000 1.320 210 S CA 0.293 57.679 58.200 -1.356 0.000 1.058 210 S CB 0.392 62.450 63.200 -1.903 0.000 0.882 210 S HN 0.418 nan 8.310 nan 0.000 0.498 211 A N 5.616 127.872 122.820 -0.940 0.000 2.663 211 A HA 0.471 4.791 4.320 0.000 0.000 0.273 211 A C -0.393 176.415 177.584 -1.293 0.000 0.932 211 A CA -0.452 50.968 52.037 -1.028 0.000 1.055 211 A CB 0.071 18.927 19.000 -0.240 0.000 1.206 211 A HN 0.694 nan 8.150 nan 0.000 0.485 212 L N 0.041 120.458 121.223 -1.342 0.000 2.342 212 L HA 0.628 4.968 4.340 0.000 0.000 0.271 212 L C -1.004 175.294 176.870 -0.953 0.000 1.008 212 L CA -0.683 53.669 54.840 -0.815 0.000 0.818 212 L CB 1.846 43.681 42.059 -0.373 0.000 1.296 212 L HN 0.410 nan 8.230 nan 0.000 0.427 213 W N 1.910 123.246 121.300 0.061 0.000 2.740 213 W HA 0.203 4.863 4.660 0.000 0.000 0.316 213 W C -1.160 175.580 176.519 0.368 0.000 1.020 213 W CA -1.111 56.400 57.345 0.277 0.000 1.278 213 W CB 1.070 30.741 29.460 0.352 0.000 1.224 213 W HN 0.500 nan 8.180 nan 0.000 0.393 214 W N 2.440 123.934 121.300 0.324 0.000 2.170 214 W HA 0.240 4.900 4.660 0.000 0.000 0.336 214 W C 1.316 177.628 176.519 -0.345 0.000 1.283 214 W CA 0.522 57.907 57.345 0.066 0.000 1.224 214 W CB 0.860 30.339 29.460 0.032 0.000 1.132 214 W HN 0.160 nan 8.180 nan 0.000 0.571 215 S N 2.653 118.060 115.700 -0.488 0.000 2.669 215 S HA 0.553 5.023 4.470 0.000 0.000 0.270 215 S C -2.565 171.779 174.600 -0.427 0.000 1.225 215 S CA -1.630 55.747 58.200 -1.371 0.000 0.991 215 S CB 1.240 63.439 63.200 -1.668 0.000 0.987 215 S HN 0.128 nan 8.310 nan 0.000 0.552 216 P HA 0.337 nan 4.420 nan 0.000 0.271 216 P C -0.099 177.155 177.300 -0.076 0.000 1.216 216 P CA 0.057 63.116 63.100 -0.068 0.000 0.771 216 P CB 0.152 31.869 31.700 0.028 0.000 0.864 217 N N 1.687 120.349 118.700 -0.064 0.000 2.965 217 N HA -0.169 4.571 4.740 0.000 0.000 0.232 217 N C 0.855 176.297 175.510 -0.113 0.000 0.913 217 N CA 1.507 54.513 53.050 -0.074 0.000 0.981 217 N CB -1.940 36.522 38.487 -0.042 0.000 1.077 217 N HN 0.829 nan 8.380 nan 0.000 0.589 218 G N -0.237 108.495 108.800 -0.112 0.000 2.379 218 G HA2 -0.388 3.572 3.960 0.000 0.000 0.297 218 G HA3 -0.388 3.572 3.960 0.000 0.000 0.297 218 G C 0.978 175.874 174.900 -0.007 0.000 1.004 218 G CA 1.649 46.720 45.100 -0.049 0.000 0.921 218 G HN 0.491 nan 8.290 nan 0.000 0.511 219 T N -0.583 113.886 114.554 -0.142 0.000 2.770 219 T HA 0.219 4.569 4.350 0.000 0.000 0.258 219 T C 1.022 175.518 174.700 -0.340 0.000 1.039 219 T CA 1.195 63.085 62.100 -0.350 0.000 1.143 219 T CB -0.054 68.407 68.868 -0.678 0.000 0.866 219 T HN 0.335 nan 8.240 nan 0.000 0.428 220 F N 0.375 120.340 119.950 0.025 0.000 2.408 220 F HA 0.647 5.174 4.527 0.000 0.000 0.325 220 F C -0.202 175.626 175.800 0.046 0.000 1.082 220 F CA -1.437 56.609 58.000 0.077 0.000 1.032 220 F CB 0.807 39.934 39.000 0.212 0.000 1.259 220 F HN -0.096 nan 8.300 nan 0.000 0.503 221 L N 1.988 123.344 121.223 0.223 0.000 2.406 221 L HA 0.769 5.109 4.340 0.000 0.000 0.270 221 L C -0.798 176.160 176.870 0.148 0.000 0.982 221 L CA -0.609 54.184 54.840 -0.079 0.000 0.843 221 L CB 0.858 42.572 42.059 -0.575 0.000 1.225 221 L HN 0.689 nan 8.230 nan 0.000 0.412 222 A N 4.550 127.543 122.820 0.288 0.000 2.303 222 A HA 0.826 5.146 4.320 0.000 0.000 0.317 222 A C -1.394 176.242 177.584 0.086 0.000 1.149 222 A CA -0.237 51.823 52.037 0.039 0.000 0.822 222 A CB 0.654 19.714 19.000 0.099 0.000 1.131 222 A HN 0.914 nan 8.150 nan 0.000 0.493 223 Y N -1.857 118.212 120.300 -0.385 0.000 2.638 223 Y HA 0.767 5.317 4.550 0.000 0.000 0.335 223 Y C -0.318 175.414 175.900 -0.279 0.000 1.155 223 Y CA -0.936 57.036 58.100 -0.213 0.000 1.046 223 Y CB 0.922 39.247 38.460 -0.224 0.000 1.303 223 Y HN 0.910 nan 8.280 nan 0.000 0.460 224 A N 1.900 124.786 122.820 0.109 0.000 2.320 224 A HA 0.710 5.030 4.320 0.000 0.000 0.334 224 A C -1.200 176.306 177.584 -0.129 0.000 1.147 224 A CA -0.827 51.153 52.037 -0.094 0.000 0.820 224 A CB 1.801 20.762 19.000 -0.064 0.000 1.218 224 A HN 0.820 nan 8.150 nan 0.000 0.482 225 Q N 0.767 120.374 119.800 -0.322 0.000 2.323 225 Q HA 0.648 4.988 4.340 0.000 0.000 0.271 225 Q C -2.139 173.628 176.000 -0.389 0.000 1.048 225 Q CA -0.388 55.355 55.803 -0.100 0.000 0.792 225 Q CB 1.310 30.199 28.738 0.251 0.000 1.280 225 Q HN 0.609 nan 8.270 nan 0.000 0.441 226 F N 1.933 121.996 119.950 0.188 0.000 2.520 226 F HA 0.435 4.962 4.527 0.000 0.000 0.322 226 F C 0.212 176.161 175.800 0.248 0.000 1.103 226 F CA -0.984 57.097 58.000 0.135 0.000 0.926 226 F CB 1.656 40.642 39.000 -0.023 0.000 1.154 226 F HN 0.423 nan 8.300 nan 0.000 0.453 227 N N 1.798 120.717 118.700 0.365 0.000 2.476 227 N HA 0.174 4.914 4.740 0.000 0.000 0.257 227 N C -0.599 175.086 175.510 0.291 0.000 0.970 227 N CA -0.207 53.024 53.050 0.300 0.000 0.938 227 N CB 1.024 39.630 38.487 0.199 0.000 1.144 227 N HN 0.567 nan 8.380 nan 0.000 0.500 228 D N 1.888 122.490 120.400 0.338 0.000 2.336 228 D HA 0.091 4.731 4.640 0.000 0.000 0.228 228 D C 1.166 177.600 176.300 0.224 0.000 1.120 228 D CA 0.209 54.381 54.000 0.287 0.000 0.839 228 D CB 0.431 41.464 40.800 0.389 0.000 0.932 228 D HN 0.500 nan 8.370 nan 0.000 0.509 229 T N -0.606 114.061 114.554 0.189 0.000 2.570 229 T HA -0.174 4.176 4.350 0.000 0.000 0.266 229 T C 1.870 176.636 174.700 0.109 0.000 1.071 229 T CA 1.859 64.042 62.100 0.139 0.000 1.172 229 T CB -0.364 68.571 68.868 0.112 0.000 0.864 229 T HN 0.338 nan 8.240 nan 0.000 0.421 230 G N 0.797 109.654 108.800 0.095 0.000 2.650 230 G HA2 0.132 4.092 3.960 0.000 0.000 0.214 230 G HA3 0.132 4.092 3.960 0.000 0.000 0.214 230 G C 0.484 175.431 174.900 0.077 0.000 1.136 230 G CA -0.072 45.071 45.100 0.072 0.000 0.789 230 G HN 0.452 nan 8.290 nan 0.000 0.536 231 V N 2.363 122.338 119.914 0.103 0.000 2.529 231 V HA 0.121 4.241 4.120 0.000 0.000 0.292 231 V C -1.597 174.559 176.094 0.104 0.000 1.028 231 V CA -1.334 61.029 62.300 0.106 0.000 1.074 231 V CB 0.951 32.852 31.823 0.130 0.000 0.958 231 V HN 0.082 nan 8.190 nan 0.000 0.481 232 P HA 0.217 nan 4.420 nan 0.000 0.270 232 P C -0.583 176.769 177.300 0.088 0.000 1.227 232 P CA -0.144 62.999 63.100 0.071 0.000 0.788 232 P CB 0.497 32.236 31.700 0.065 0.000 0.926 233 L N 1.400 122.655 121.223 0.053 0.000 2.334 233 L HA 0.579 4.919 4.340 0.000 0.000 0.276 233 L C 0.036 176.893 176.870 -0.021 0.000 1.014 233 L CA -1.060 53.816 54.840 0.060 0.000 0.815 233 L CB 1.257 43.356 42.059 0.067 0.000 1.268 233 L HN 0.286 nan 8.230 nan 0.000 0.428 234 I N -0.919 119.604 120.570 -0.078 0.000 2.474 234 I HA 0.485 4.655 4.170 0.000 0.000 0.294 234 I C -0.671 175.339 176.117 -0.179 0.000 1.005 234 I CA -0.222 60.930 61.300 -0.247 0.000 1.113 234 I CB 1.821 39.446 38.000 -0.626 0.000 1.289 234 I HN 0.496 nan 8.210 nan 0.000 0.436 235 E N 5.903 126.008 120.200 -0.158 0.000 2.518 235 E HA 0.236 4.587 4.350 0.000 0.000 0.240 235 E C -1.560 174.977 176.600 -0.106 0.000 0.996 235 E CA -0.660 55.667 56.400 -0.120 0.000 0.768 235 E CB 1.125 30.801 29.700 -0.040 0.000 1.329 235 E HN 0.687 nan 8.360 nan 0.000 0.408 236 Y N -0.251 119.999 120.300 -0.083 0.000 2.326 236 Y HA 0.559 5.109 4.550 0.000 0.000 0.324 236 Y C 0.188 176.061 175.900 -0.045 0.000 1.291 236 Y CA -0.947 57.108 58.100 -0.074 0.000 1.348 236 Y CB 0.622 39.053 38.460 -0.050 0.000 1.294 236 Y HN -0.024 nan 8.280 nan 0.000 0.525 237 S N 1.623 117.426 115.700 0.172 0.000 2.578 237 S HA 0.500 4.970 4.470 0.000 0.000 0.283 237 S C -1.531 173.076 174.600 0.012 0.000 1.195 237 S CA -0.529 57.638 58.200 -0.056 0.000 1.050 237 S CB 0.515 63.519 63.200 -0.327 0.000 1.012 237 S HN 0.562 nan 8.310 nan 0.000 0.511 238 F N 2.000 121.777 119.950 -0.288 0.000 2.507 238 F HA 0.448 4.975 4.527 0.000 0.000 0.328 238 F C -0.434 175.164 175.800 -0.337 0.000 1.136 238 F CA -0.833 57.077 58.000 -0.150 0.000 0.930 238 F CB 0.879 39.911 39.000 0.054 0.000 1.166 238 F HN 0.651 nan 8.300 nan 0.000 0.436 239 Y N 2.572 122.621 120.300 -0.418 0.000 2.476 239 Y HA 0.169 4.719 4.550 0.000 0.000 0.283 239 Y C 1.667 177.458 175.900 -0.182 0.000 1.109 239 Y CA 0.922 58.884 58.100 -0.231 0.000 1.246 239 Y CB -0.668 37.660 38.460 -0.221 0.000 1.068 239 Y HN 0.714 nan 8.280 nan 0.000 0.552 240 S N -0.117 115.419 115.700 -0.273 0.000 3.381 240 S HA -0.221 4.249 4.470 0.000 0.000 0.636 240 S C -0.500 174.132 174.600 0.054 0.000 2.614 240 S CA 0.247 58.476 58.200 0.049 0.000 2.810 240 S CB -1.098 62.273 63.200 0.285 0.000 0.331 240 S HN 0.494 nan 8.310 nan 0.000 1.788 241 D N 2.013 122.471 120.400 0.097 0.000 2.443 241 D HA 0.074 4.714 4.640 0.000 0.000 0.234 241 D C 1.494 177.826 176.300 0.052 0.000 1.172 241 D CA 0.737 54.776 54.000 0.066 0.000 0.878 241 D CB 0.125 40.967 40.800 0.070 0.000 1.204 241 D HN 0.737 nan 8.370 nan 0.000 0.453 242 E N -0.429 119.791 120.200 0.033 0.000 2.463 242 E HA -0.154 4.196 4.350 0.000 0.000 0.201 242 E C 1.055 177.672 176.600 0.027 0.000 1.045 242 E CA 0.726 57.139 56.400 0.022 0.000 0.872 242 E CB -0.058 29.646 29.700 0.007 0.000 0.797 242 E HN 0.320 nan 8.360 nan 0.000 0.538 243 S N 0.573 116.296 115.700 0.038 0.000 2.436 243 S HA -0.041 4.429 4.470 0.000 0.000 0.228 243 S C 0.917 175.548 174.600 0.050 0.000 1.014 243 S CA -0.235 57.989 58.200 0.039 0.000 0.950 243 S CB -0.258 62.967 63.200 0.042 0.000 0.784 243 S HN 0.286 nan 8.310 nan 0.000 0.504 244 L N 2.899 124.161 121.223 0.066 0.000 2.500 244 L HA 0.239 4.579 4.340 0.000 0.000 0.272 244 L C 1.443 178.356 176.870 0.071 0.000 1.149 244 L CA 0.173 55.064 54.840 0.085 0.000 0.897 244 L CB 0.460 42.583 42.059 0.107 0.000 1.178 244 L HN 0.276 nan 8.230 nan 0.000 0.473 245 Q N 3.978 123.827 119.800 0.083 0.000 2.079 245 Q HA -0.098 4.243 4.340 0.000 0.000 0.200 245 Q C -0.528 175.425 176.000 -0.080 0.000 0.974 245 Q CA 1.334 57.145 55.803 0.012 0.000 0.840 245 Q CB 0.130 28.902 28.738 0.057 0.000 0.898 245 Q HN 0.679 nan 8.270 nan 0.000 0.430 246 Y N 1.479 121.794 120.300 0.025 0.000 2.328 246 Y HA 0.373 4.923 4.550 0.000 0.000 0.333 246 Y C -2.006 173.897 175.900 0.005 0.000 0.958 246 Y CA -3.002 55.106 58.100 0.014 0.000 1.167 246 Y CB 1.213 39.677 38.460 0.007 0.000 1.151 246 Y HN 0.189 nan 8.280 nan 0.000 0.470 247 P HA -0.009 nan 4.420 nan 0.000 0.267 247 P C -0.409 176.894 177.300 0.006 0.000 1.201 247 P CA -0.112 62.973 63.100 -0.025 0.000 0.775 247 P CB 1.083 32.642 31.700 -0.235 0.000 0.854 248 K N 1.033 121.443 120.400 0.018 0.000 2.179 248 K HA 0.498 4.818 4.320 0.000 0.000 0.238 248 K C 0.216 176.815 176.600 -0.002 0.000 1.033 248 K CA -0.146 56.168 56.287 0.044 0.000 0.926 248 K CB 0.275 32.831 32.500 0.093 0.000 1.151 248 K HN 0.395 nan 8.250 nan 0.000 0.492 249 T N 0.291 114.847 114.554 0.004 0.000 2.921 249 T HA 0.337 4.687 4.350 0.000 0.000 0.297 249 T C -0.904 173.761 174.700 -0.059 0.000 1.013 249 T CA -0.660 61.426 62.100 -0.025 0.000 0.990 249 T CB 1.617 70.500 68.868 0.026 0.000 1.023 249 T HN 0.129 nan 8.240 nan 0.000 0.447 250 V N 4.922 124.674 119.914 -0.271 0.000 2.384 250 V HA 0.582 4.702 4.120 0.000 0.000 0.287 250 V C -0.494 175.411 176.094 -0.315 0.000 1.020 250 V CA -0.922 61.130 62.300 -0.412 0.000 0.850 250 V CB 0.980 32.367 31.823 -0.727 0.000 0.987 250 V HN 0.815 nan 8.190 nan 0.000 0.436 251 W N 5.166 126.341 121.300 -0.208 0.000 2.606 251 W HA 0.867 5.527 4.660 0.000 0.000 0.332 251 W C -1.247 175.237 176.519 -0.057 0.000 1.052 251 W CA -1.542 55.708 57.345 -0.157 0.000 1.223 251 W CB 1.075 30.474 29.460 -0.102 0.000 1.383 251 W HN 0.330 nan 8.180 nan 0.000 0.524 252 I N 4.114 124.758 120.570 0.123 0.000 2.534 252 I HA 0.217 4.387 4.170 0.000 0.000 0.288 252 I C -2.253 173.950 176.117 0.144 0.000 1.077 252 I CA -2.431 58.923 61.300 0.090 0.000 1.051 252 I CB 2.874 40.805 38.000 -0.115 0.000 1.234 252 I HN -0.029 nan 8.210 nan 0.000 0.425 253 P HA 0.040 nan 4.420 nan 0.000 0.269 253 P C -1.437 175.963 177.300 0.167 0.000 1.252 253 P CA 0.276 63.507 63.100 0.218 0.000 0.780 253 P CB 0.083 31.947 31.700 0.274 0.000 0.829 254 Y N 6.851 127.127 120.300 -0.041 0.000 2.329 254 Y HA 0.394 4.944 4.550 0.000 0.000 0.328 254 Y C -2.435 173.442 175.900 -0.037 0.000 0.992 254 Y CA -2.689 55.335 58.100 -0.125 0.000 1.151 254 Y CB 2.382 40.682 38.460 -0.268 0.000 1.150 254 Y HN 0.254 nan 8.280 nan 0.000 0.450 255 P HA 0.229 nan 4.420 nan 0.000 0.291 255 P C -1.234 176.061 177.300 -0.009 0.000 1.340 255 P CA -0.316 62.783 63.100 -0.001 0.000 0.799 255 P CB 1.328 33.023 31.700 -0.008 0.000 0.917 256 K N 2.040 122.547 120.400 0.177 0.000 2.107 256 K HA 0.483 4.803 4.320 0.000 0.000 0.251 256 K C 0.585 177.277 176.600 0.153 0.000 1.012 256 K CA -0.687 55.738 56.287 0.230 0.000 0.920 256 K CB 0.612 33.292 32.500 0.299 0.000 1.033 256 K HN 0.448 nan 8.250 nan 0.000 0.478 257 A N 1.018 123.959 122.820 0.201 0.000 2.591 257 A HA 0.207 4.527 4.320 0.000 0.000 0.244 257 A C 1.277 178.905 177.584 0.073 0.000 1.031 257 A CA 1.186 53.329 52.037 0.177 0.000 0.767 257 A CB -1.258 17.940 19.000 0.330 0.000 0.942 257 A HN 0.934 nan 8.150 nan 0.000 0.514 258 G N 1.177 110.004 108.800 0.044 0.000 2.253 258 G HA2 0.096 4.056 3.960 0.000 0.000 0.251 258 G HA3 0.096 4.056 3.960 0.000 0.000 0.251 258 G C 0.804 175.713 174.900 0.016 0.000 0.998 258 G CA 0.787 45.888 45.100 0.002 0.000 0.621 258 G HN 2.284 nan 8.290 nan 0.000 0.524 259 A N -0.012 122.832 122.820 0.040 0.000 2.346 259 A HA 0.654 4.974 4.320 0.000 0.000 0.255 259 A C 0.965 178.570 177.584 0.034 0.000 1.113 259 A CA 0.518 52.580 52.037 0.043 0.000 0.798 259 A CB 0.460 19.500 19.000 0.067 0.000 1.073 259 A HN 1.203 nan 8.150 nan 0.000 0.502 260 V N 2.320 122.255 119.914 0.035 0.000 2.585 260 V HA 0.038 4.158 4.120 0.000 0.000 0.296 260 V C 0.479 176.600 176.094 0.045 0.000 1.035 260 V CA -0.049 62.270 62.300 0.031 0.000 1.084 260 V CB 0.295 32.139 31.823 0.035 0.000 0.953 260 V HN 0.856 nan 8.190 nan 0.000 0.483 261 N N 5.719 124.440 118.700 0.034 0.000 2.476 261 N HA 0.519 5.259 4.740 0.000 0.000 0.276 261 N C -2.415 173.155 175.510 0.099 0.000 1.204 261 N CA -1.312 51.776 53.050 0.063 0.000 0.974 261 N CB 1.456 39.965 38.487 0.036 0.000 1.204 261 N HN 0.389 nan 8.380 nan 0.000 0.543 262 P HA 0.128 nan 4.420 nan 0.000 0.274 262 P C -0.520 176.916 177.300 0.227 0.000 1.246 262 P CA -0.100 63.133 63.100 0.221 0.000 0.795 262 P CB 0.431 32.295 31.700 0.274 0.000 1.006 263 T N -2.064 112.617 114.554 0.212 0.000 2.940 263 T HA 0.629 4.979 4.350 0.000 0.000 0.288 263 T C 0.048 174.855 174.700 0.178 0.000 1.033 263 T CA -0.704 61.478 62.100 0.137 0.000 1.033 263 T CB 1.020 69.937 68.868 0.082 0.000 1.079 263 T HN 0.227 nan 8.240 nan 0.000 0.496 264 V N 0.247 120.224 119.914 0.105 0.000 3.046 264 V HA 0.779 4.899 4.120 0.000 0.000 0.316 264 V C -0.401 175.710 176.094 0.028 0.000 1.104 264 V CA -1.150 61.163 62.300 0.021 0.000 1.006 264 V CB 1.793 33.704 31.823 0.146 0.000 1.058 264 V HN 0.975 nan 8.190 nan 0.000 0.440 265 K N 1.311 121.657 120.400 -0.090 0.000 2.561 265 K HA 0.493 4.813 4.320 0.000 0.000 0.254 265 K C -2.084 174.316 176.600 -0.334 0.000 0.942 265 K CA -0.424 55.762 56.287 -0.168 0.000 0.818 265 K CB 2.609 35.037 32.500 -0.121 0.000 1.306 265 K HN 0.576 nan 8.250 nan 0.000 0.435 266 F N 3.524 123.119 119.950 -0.592 0.000 2.436 266 F HA 0.584 5.111 4.527 0.000 0.000 0.340 266 F C -1.172 174.014 175.800 -1.024 0.000 1.113 266 F CA -0.455 57.180 58.000 -0.610 0.000 1.022 266 F CB 0.675 39.489 39.000 -0.310 0.000 1.128 266 F HN 0.366 nan 8.300 nan 0.000 0.466 267 F N 5.378 124.641 119.950 -1.145 0.000 2.603 267 F HA 0.692 5.219 4.527 0.000 0.000 0.317 267 F C -0.723 174.453 175.800 -1.041 0.000 1.066 267 F CA -1.010 56.396 58.000 -0.989 0.000 0.941 267 F CB 1.951 40.223 39.000 -1.214 0.000 1.291 267 F HN 0.093 nan 8.300 nan 0.000 0.472 268 I N 2.432 122.809 120.570 -0.321 0.000 2.512 268 I HA 0.434 4.604 4.170 0.000 0.000 0.287 268 I C -1.454 174.743 176.117 0.133 0.000 1.069 268 I CA -0.883 60.316 61.300 -0.168 0.000 1.056 268 I CB 2.115 39.862 38.000 -0.423 0.000 1.229 268 I HN 0.293 nan 8.210 nan 0.000 0.429 269 V N 6.338 126.395 119.914 0.237 0.000 2.628 269 V HA 0.417 4.537 4.120 0.000 0.000 0.306 269 V C -0.272 176.007 176.094 0.309 0.000 1.045 269 V CA -0.545 61.912 62.300 0.262 0.000 0.905 269 V CB 2.185 34.123 31.823 0.192 0.000 0.997 269 V HN 0.766 nan 8.190 nan 0.000 0.436 270 N N 3.757 122.627 118.700 0.284 0.000 2.399 270 N HA 0.069 4.809 4.740 0.000 0.000 0.259 270 N C 0.796 176.324 175.510 0.030 0.000 1.160 270 N CA 0.500 53.641 53.050 0.150 0.000 0.946 270 N CB 1.514 40.081 38.487 0.133 0.000 1.156 270 N HN 0.790 nan 8.380 nan 0.000 0.489 271 T N 2.187 116.739 114.554 -0.004 0.000 3.085 271 T HA -0.019 4.331 4.350 0.000 0.000 0.263 271 T C 0.708 175.387 174.700 -0.035 0.000 1.127 271 T CA 0.648 62.761 62.100 0.022 0.000 1.103 271 T CB 0.183 69.162 68.868 0.185 0.000 0.921 271 T HN 0.497 nan 8.240 nan 0.000 0.510 272 D N 0.696 121.045 120.400 -0.085 0.000 2.162 272 D HA -0.036 4.604 4.640 0.000 0.000 0.205 272 D C 2.469 178.725 176.300 -0.074 0.000 0.964 272 D CA 1.208 55.155 54.000 -0.087 0.000 0.847 272 D CB -0.393 40.341 40.800 -0.110 0.000 0.988 272 D HN 0.512 nan 8.370 nan 0.000 0.480 273 S N 1.262 116.928 115.700 -0.057 0.000 2.399 273 S HA -0.129 4.341 4.470 0.000 0.000 0.231 273 S C 2.296 176.850 174.600 -0.078 0.000 1.022 273 S CA 0.451 58.626 58.200 -0.042 0.000 0.983 273 S CB -0.886 62.311 63.200 -0.006 0.000 0.803 273 S HN 0.261 nan 8.310 nan 0.000 0.480 274 L N 2.147 123.289 121.223 -0.135 0.000 2.230 274 L HA -0.285 4.055 4.340 0.000 0.000 0.223 274 L C 2.861 179.556 176.870 -0.292 0.000 1.091 274 L CA 1.930 56.602 54.840 -0.278 0.000 0.807 274 L CB -1.548 40.202 42.059 -0.514 0.000 0.896 274 L HN 0.671 nan 8.230 nan 0.000 0.445 275 S N -1.728 113.856 115.700 -0.194 0.000 2.522 275 S HA -0.033 4.437 4.470 0.000 0.000 0.227 275 S C 1.633 176.237 174.600 0.007 0.000 0.986 275 S CA 0.551 58.717 58.200 -0.057 0.000 0.929 275 S CB -0.085 63.097 63.200 -0.030 0.000 0.769 275 S HN 0.562 nan 8.310 nan 0.000 0.529 276 S N 0.086 115.781 115.700 -0.007 0.000 2.554 276 S HA 0.332 4.802 4.470 0.000 0.000 0.226 276 S C 0.311 174.923 174.600 0.021 0.000 0.980 276 S CA -0.422 57.785 58.200 0.012 0.000 0.939 276 S CB 0.021 63.224 63.200 0.006 0.000 0.832 276 S HN 0.434 nan 8.310 nan 0.000 0.486 277 T N 0.721 115.292 114.554 0.027 0.000 2.838 277 T HA 0.487 4.837 4.350 0.000 0.000 0.292 277 T C 1.010 175.747 174.700 0.061 0.000 1.113 277 T CA -0.143 61.978 62.100 0.036 0.000 1.008 277 T CB 1.511 70.395 68.868 0.027 0.000 1.259 277 T HN 0.189 nan 8.240 nan 0.000 0.520 278 T N -1.905 112.679 114.554 0.050 0.000 3.033 278 T HA 0.242 4.592 4.350 0.000 0.000 0.248 278 T C 0.551 175.282 174.700 0.052 0.000 1.040 278 T CA 0.303 62.436 62.100 0.055 0.000 1.133 278 T CB 0.015 68.902 68.868 0.033 0.000 0.895 278 T HN 0.581 nan 8.240 nan 0.000 0.465 279 T N 1.841 116.415 114.554 0.032 0.000 2.916 279 T HA 0.582 4.932 4.350 0.000 0.000 0.298 279 T C -1.007 173.701 174.700 0.013 0.000 1.031 279 T CA -0.587 61.521 62.100 0.014 0.000 0.993 279 T CB 2.098 70.966 68.868 -0.001 0.000 1.045 279 T HN 0.112 nan 8.240 nan 0.000 0.454 280 T N 2.574 117.131 114.554 0.005 0.000 2.895 280 T HA 0.600 4.950 4.350 0.000 0.000 0.283 280 T C 0.023 174.734 174.700 0.018 0.000 1.014 280 T CA -0.592 61.518 62.100 0.017 0.000 1.037 280 T CB 0.641 69.518 68.868 0.015 0.000 1.006 280 T HN 0.428 nan 8.240 nan 0.000 0.468 281 I N 5.004 125.601 120.570 0.046 0.000 2.307 281 I HA 0.279 4.449 4.170 0.000 0.000 0.289 281 I C -1.795 174.378 176.117 0.092 0.000 1.021 281 I CA -2.170 59.160 61.300 0.050 0.000 1.224 281 I CB 1.352 39.387 38.000 0.058 0.000 1.376 281 I HN 0.355 nan 8.210 nan 0.000 0.470 282 P HA 0.190 nan 4.420 nan 0.000 0.275 282 P C -0.900 176.527 177.300 0.212 0.000 1.227 282 P CA -0.372 62.813 63.100 0.142 0.000 0.781 282 P CB 0.888 32.641 31.700 0.089 0.000 0.906 283 M N 1.124 120.882 119.600 0.263 0.000 2.233 283 M HA 0.427 4.907 4.480 0.000 0.000 0.355 283 M C 0.153 176.598 176.300 0.243 0.000 1.191 283 M CA -0.696 54.774 55.300 0.283 0.000 1.101 283 M CB 1.208 34.038 32.600 0.382 0.000 1.592 283 M HN 0.327 nan 8.290 nan 0.000 0.461 284 Q N 3.013 122.927 119.800 0.190 0.000 2.282 284 Q HA 0.652 4.992 4.340 0.000 0.000 0.260 284 Q C -1.756 174.205 176.000 -0.064 0.000 0.964 284 Q CA -0.599 55.163 55.803 -0.069 0.000 0.880 284 Q CB 1.723 30.374 28.738 -0.145 0.000 1.286 284 Q HN 0.887 nan 8.270 nan 0.000 0.445 285 I N 3.302 123.803 120.570 -0.114 0.000 2.392 285 I HA 0.299 4.469 4.170 0.000 0.000 0.295 285 I C -0.047 176.024 176.117 -0.077 0.000 0.985 285 I CA -0.787 60.498 61.300 -0.025 0.000 1.221 285 I CB 1.862 39.880 38.000 0.030 0.000 1.366 285 I HN 0.755 nan 8.210 nan 0.000 0.467 286 T N 2.799 117.285 114.554 -0.114 0.000 2.824 286 T HA 0.698 5.048 4.350 0.000 0.000 0.280 286 T C 0.128 174.589 174.700 -0.398 0.000 0.995 286 T CA -0.852 61.121 62.100 -0.211 0.000 1.009 286 T CB 1.677 70.441 68.868 -0.174 0.000 0.955 286 T HN 0.670 nan 8.240 nan 0.000 0.452 287 A N 4.713 127.067 122.820 -0.776 0.000 2.536 287 A HA 0.437 4.757 4.320 0.000 0.000 0.234 287 A C -1.733 175.344 177.584 -0.845 0.000 1.076 287 A CA -0.969 50.177 52.037 -1.485 0.000 0.769 287 A CB -0.843 16.971 19.000 -1.976 0.000 1.020 287 A HN 0.804 nan 8.150 nan 0.000 0.508 288 P HA 0.165 nan 4.420 nan 0.000 0.269 288 P C 0.771 177.866 177.300 -0.343 0.000 1.209 288 P CA 0.598 63.457 63.100 -0.401 0.000 0.776 288 P CB 0.826 32.367 31.700 -0.264 0.000 0.876 289 A N 3.452 126.135 122.820 -0.229 0.000 1.958 289 A HA -0.222 4.098 4.320 0.000 0.000 0.221 289 A C 2.006 179.480 177.584 -0.184 0.000 1.178 289 A CA 2.433 54.355 52.037 -0.192 0.000 0.642 289 A CB -1.668 17.252 19.000 -0.133 0.000 0.816 289 A HN 0.664 nan 8.150 nan 0.000 0.453 290 S N -1.494 114.121 115.700 -0.142 0.000 2.660 290 S HA 0.192 4.662 4.470 0.000 0.000 0.228 290 S C 0.938 175.432 174.600 -0.177 0.000 0.966 290 S CA 0.866 58.980 58.200 -0.142 0.000 0.940 290 S CB 0.202 63.388 63.200 -0.024 0.000 0.773 290 S HN 0.270 nan 8.310 nan 0.000 0.535 291 V N 0.273 120.052 119.914 -0.225 0.000 3.480 291 V HA 0.075 4.195 4.120 0.000 0.000 0.263 291 V C 1.948 177.779 176.094 -0.437 0.000 1.442 291 V CA 0.943 63.082 62.300 -0.269 0.000 1.053 291 V CB 0.169 31.818 31.823 -0.291 0.000 0.846 291 V HN 0.479 nan 8.190 nan 0.000 0.440 292 T N 0.249 114.546 114.554 -0.428 0.000 3.055 292 T HA -0.106 4.244 4.350 0.000 0.000 0.265 292 T C 1.875 176.490 174.700 -0.141 0.000 1.111 292 T CA 1.663 63.553 62.100 -0.349 0.000 1.118 292 T CB -0.134 68.557 68.868 -0.294 0.000 0.909 292 T HN 0.501 nan 8.240 nan 0.000 0.501 293 T N 0.810 115.287 114.554 -0.128 0.000 2.803 293 T HA 0.114 4.465 4.350 0.000 0.000 0.269 293 T C 1.177 175.855 174.700 -0.037 0.000 1.052 293 T CA 1.128 63.180 62.100 -0.080 0.000 1.136 293 T CB -0.158 68.655 68.868 -0.093 0.000 0.864 293 T HN 0.557 nan 8.240 nan 0.000 0.467 294 G N -0.027 108.767 108.800 -0.010 0.000 2.827 294 G HA2 0.480 4.440 3.960 0.000 0.000 0.296 294 G HA3 0.480 4.440 3.960 0.000 0.000 0.296 294 G C -1.849 173.107 174.900 0.093 0.000 1.362 294 G CA -0.825 44.286 45.100 0.019 0.000 0.809 294 G HN -0.012 nan 8.290 nan 0.000 0.522 295 D N 1.332 121.732 120.400 -0.000 0.000 2.571 295 D HA 0.232 4.872 4.640 0.000 0.000 0.231 295 D C 0.328 176.572 176.300 -0.094 0.000 1.133 295 D CA 1.035 54.971 54.000 -0.106 0.000 0.862 295 D CB 0.286 40.982 40.800 -0.173 0.000 1.179 295 D HN 0.565 nan 8.370 nan 0.000 0.474 296 H N -0.669 118.251 119.070 -0.251 0.000 2.933 296 H HA 0.484 5.040 4.556 0.000 0.000 0.310 296 H C -1.301 173.881 175.328 -0.243 0.000 1.351 296 H CA -0.843 55.075 56.048 -0.218 0.000 1.137 296 H CB 0.597 30.361 29.762 0.003 0.000 1.853 296 H HN 0.361 nan 8.280 nan 0.000 0.539 297 Y N -0.122 120.388 120.300 0.350 0.000 2.553 297 Y HA 0.375 4.925 4.550 0.000 0.000 0.347 297 Y C -0.487 175.649 175.900 0.394 0.000 1.019 297 Y CA -1.234 57.060 58.100 0.324 0.000 1.032 297 Y CB 2.118 40.605 38.460 0.046 0.000 1.284 297 Y HN 0.450 nan 8.280 nan 0.000 0.466 298 L N 1.279 122.818 121.223 0.526 0.000 2.290 298 L HA 0.368 4.708 4.340 0.000 0.000 0.284 298 L C -0.038 176.803 176.870 -0.049 0.000 1.078 298 L CA 0.260 55.077 54.840 -0.039 0.000 0.815 298 L CB 0.809 42.831 42.059 -0.062 0.000 1.162 298 L HN 1.031 nan 8.230 nan 0.000 0.435 299 C N 2.975 122.126 119.300 -0.248 0.000 2.568 299 C HA 0.314 4.774 4.460 0.000 0.000 0.284 299 C C 0.441 175.320 174.990 -0.185 0.000 1.338 299 C CA 0.565 59.445 59.018 -0.230 0.000 1.724 299 C CB -0.419 27.225 27.740 -0.160 0.000 2.131 299 C HN 1.012 nan 8.230 nan 0.000 0.513 300 D N -1.610 118.671 120.400 -0.199 0.000 2.736 300 D HA 0.508 5.148 4.640 0.000 0.000 0.223 300 D C -1.516 174.533 176.300 -0.418 0.000 1.231 300 D CA -0.204 53.727 54.000 -0.114 0.000 0.818 300 D CB 1.638 42.371 40.800 -0.111 0.000 1.587 300 D HN -0.002 nan 8.370 nan 0.000 0.463 301 V N 1.222 120.817 119.914 -0.532 0.000 2.656 301 V HA 0.945 5.065 4.120 0.000 0.000 0.307 301 V C -0.601 175.105 176.094 -0.646 0.000 1.051 301 V CA -0.508 61.217 62.300 -0.958 0.000 0.893 301 V CB 1.394 32.017 31.823 -2.000 0.000 0.999 301 V HN 0.867 nan 8.190 nan 0.000 0.426 302 A N 3.710 126.192 122.820 -0.564 0.000 2.485 302 A HA 0.603 4.923 4.320 0.000 0.000 0.285 302 A C -1.504 175.908 177.584 -0.286 0.000 1.045 302 A CA -0.592 51.277 52.037 -0.280 0.000 0.792 302 A CB 0.566 19.459 19.000 -0.178 0.000 1.307 302 A HN 0.755 nan 8.150 nan 0.000 0.406 303 W N 2.989 124.225 121.300 -0.107 0.000 2.303 303 W HA 0.354 5.014 4.660 0.000 0.000 0.318 303 W C 1.097 177.543 176.519 -0.120 0.000 1.362 303 W CA 0.271 57.568 57.345 -0.081 0.000 1.234 303 W CB 1.036 30.528 29.460 0.054 0.000 1.248 303 W HN 0.516 nan 8.180 nan 0.000 0.546 304 V N 2.515 122.419 119.914 -0.017 0.000 2.284 304 V HA -0.093 4.027 4.120 0.000 0.000 0.236 304 V C 1.201 177.341 176.094 0.076 0.000 1.044 304 V CA 1.805 63.986 62.300 -0.199 0.000 1.019 304 V CB -0.495 30.980 31.823 -0.579 0.000 0.657 304 V HN 0.631 nan 8.190 nan 0.000 0.465 305 S N -1.050 114.746 115.700 0.159 0.000 2.993 305 S HA 0.336 4.806 4.470 0.000 0.000 0.281 305 S C 0.631 175.423 174.600 0.320 0.000 1.033 305 S CA -0.163 58.159 58.200 0.203 0.000 0.950 305 S CB 1.525 64.826 63.200 0.169 0.000 1.349 305 S HN 0.325 nan 8.310 nan 0.000 0.652 306 E N -0.415 119.952 120.200 0.279 0.000 2.476 306 E HA 0.150 4.500 4.350 0.000 0.000 0.196 306 E C -0.425 176.495 176.600 0.533 0.000 1.029 306 E CA 0.064 56.661 56.400 0.328 0.000 0.896 306 E CB 0.119 29.928 29.700 0.180 0.000 1.012 306 E HN 0.518 nan 8.360 nan 0.000 0.475 307 D N 0.250 120.921 120.400 0.452 0.000 2.540 307 D HA 0.113 4.753 4.640 0.000 0.000 0.229 307 D C -0.348 176.192 176.300 0.400 0.000 1.250 307 D CA 0.016 54.244 54.000 0.381 0.000 0.817 307 D CB 0.775 41.721 40.800 0.244 0.000 1.060 307 D HN -0.032 nan 8.370 nan 0.000 0.508 308 R N 1.054 121.833 120.500 0.465 0.000 2.564 308 R HA 0.578 4.918 4.340 0.000 0.000 0.284 308 R C -1.868 174.497 176.300 0.108 0.000 1.031 308 R CA -0.522 55.739 56.100 0.268 0.000 0.904 308 R CB 1.908 32.255 30.300 0.077 0.000 1.199 308 R HN -0.038 nan 8.270 nan 0.000 0.443 309 I N 1.960 122.434 120.570 -0.161 0.000 2.689 309 I HA 0.429 4.599 4.170 0.000 0.000 0.299 309 I C -1.206 174.599 176.117 -0.520 0.000 1.059 309 I CA -0.521 60.427 61.300 -0.587 0.000 1.055 309 I CB 2.411 39.682 38.000 -1.214 0.000 1.243 309 I HN 0.665 nan 8.210 nan 0.000 0.425 310 S N 7.309 122.659 115.700 -0.583 0.000 2.449 310 S HA 0.719 5.189 4.470 0.000 0.000 0.310 310 S C -1.153 173.113 174.600 -0.557 0.000 1.096 310 S CA -0.569 57.346 58.200 -0.475 0.000 1.095 310 S CB 0.627 63.600 63.200 -0.377 0.000 1.007 310 S HN 0.507 nan 8.310 nan 0.000 0.474 311 L N 4.013 124.935 121.223 -0.502 0.000 2.381 311 L HA 0.607 4.947 4.340 0.000 0.000 0.268 311 L C -0.285 176.299 176.870 -0.476 0.000 0.997 311 L CA -0.738 53.710 54.840 -0.653 0.000 0.818 311 L CB 2.208 43.799 42.059 -0.780 0.000 1.310 311 L HN 0.585 nan 8.230 nan 0.000 0.416 312 Q N 1.333 120.776 119.800 -0.594 0.000 2.353 312 Q HA 0.476 4.816 4.340 0.000 0.000 0.268 312 Q C -1.833 173.872 176.000 -0.492 0.000 1.045 312 Q CA -0.650 54.938 55.803 -0.358 0.000 0.811 312 Q CB 2.813 31.406 28.738 -0.241 0.000 1.305 312 Q HN 0.438 nan 8.270 nan 0.000 0.447 313 W N 1.935 123.192 121.300 -0.072 0.000 2.864 313 W HA 0.640 5.300 4.660 0.000 0.000 0.343 313 W C -1.027 175.526 176.519 0.056 0.000 1.109 313 W CA -0.587 56.764 57.345 0.010 0.000 1.192 313 W CB 1.213 30.667 29.460 -0.010 0.000 1.426 313 W HN 0.371 nan 8.180 nan 0.000 0.529 314 L N 2.289 123.744 121.223 0.387 0.000 2.408 314 L HA 0.583 4.923 4.340 0.000 0.000 0.268 314 L C -0.090 176.995 176.870 0.358 0.000 0.986 314 L CA -1.117 53.912 54.840 0.314 0.000 0.820 314 L CB 1.555 43.760 42.059 0.243 0.000 1.303 314 L HN 0.410 nan 8.230 nan 0.000 0.411 315 R N 1.990 122.666 120.500 0.293 0.000 2.615 315 R HA 0.273 4.613 4.340 0.000 0.000 0.270 315 R C 0.989 177.387 176.300 0.163 0.000 1.081 315 R CA -0.276 55.942 56.100 0.196 0.000 1.154 315 R CB 0.574 30.960 30.300 0.144 0.000 1.063 315 R HN 0.607 nan 8.270 nan 0.000 0.519 316 R N 1.063 121.566 120.500 0.006 0.000 2.105 316 R HA -0.079 4.261 4.340 0.000 0.000 0.239 316 R C 0.363 176.741 176.300 0.131 0.000 1.135 316 R CA 1.242 57.335 56.100 -0.011 0.000 0.967 316 R CB 0.162 30.384 30.300 -0.129 0.000 0.861 316 R HN 0.377 nan 8.270 nan 0.000 0.442 317 I N 2.783 123.401 120.570 0.080 0.000 2.281 317 I HA 0.020 4.190 4.170 0.000 0.000 0.293 317 I C 0.259 176.435 176.117 0.099 0.000 1.085 317 I CA 0.246 61.586 61.300 0.067 0.000 1.257 317 I CB 1.081 39.106 38.000 0.041 0.000 1.430 317 I HN 0.316 nan 8.210 nan 0.000 0.489 318 Q N 3.628 123.481 119.800 0.088 0.000 2.486 318 Q HA -0.088 4.252 4.340 0.000 0.000 0.211 318 Q C 1.344 177.412 176.000 0.114 0.000 0.949 318 Q CA 0.183 56.047 55.803 0.102 0.000 0.998 318 Q CB -0.471 28.284 28.738 0.029 0.000 1.004 318 Q HN 0.589 nan 8.270 nan 0.000 0.531 319 N N -0.311 118.459 118.700 0.116 0.000 2.216 319 N HA -0.123 4.617 4.740 0.000 0.000 0.183 319 N C -0.350 175.260 175.510 0.167 0.000 1.017 319 N CA 0.483 53.599 53.050 0.109 0.000 0.861 319 N CB 0.329 38.874 38.487 0.096 0.000 0.986 319 N HN 0.240 nan 8.380 nan 0.000 0.428 320 Y N -0.071 120.252 120.300 0.038 0.000 2.425 320 Y HA 0.446 4.996 4.550 0.000 0.000 0.344 320 Y C -1.052 174.884 175.900 0.060 0.000 0.969 320 Y CA -0.741 57.384 58.100 0.041 0.000 1.052 320 Y CB 1.856 40.332 38.460 0.028 0.000 1.215 320 Y HN -0.291 nan 8.280 nan 0.000 0.451 321 S N 4.188 119.702 115.700 -0.310 0.000 2.540 321 S HA 0.816 5.286 4.470 0.000 0.000 0.275 321 S C -2.228 172.176 174.600 -0.326 0.000 1.123 321 S CA -0.531 57.572 58.200 -0.162 0.000 0.907 321 S CB 1.303 64.467 63.200 -0.060 0.000 1.081 321 S HN 0.520 nan 8.310 nan 0.000 0.476 322 V N 5.127 124.993 119.914 -0.081 0.000 2.638 322 V HA 0.539 4.659 4.120 0.000 0.000 0.306 322 V C -0.363 175.766 176.094 0.059 0.000 1.052 322 V CA -0.606 61.671 62.300 -0.039 0.000 0.885 322 V CB 1.837 33.687 31.823 0.045 0.000 0.999 322 V HN 0.946 nan 8.190 nan 0.000 0.424 323 M N 4.998 124.601 119.600 0.005 0.000 2.055 323 M HA 0.705 5.186 4.480 0.000 0.000 0.346 323 M C -0.101 176.206 176.300 0.012 0.000 1.074 323 M CA -0.449 54.827 55.300 -0.040 0.000 1.009 323 M CB 0.749 33.247 32.600 -0.170 0.000 1.423 323 M HN 0.787 nan 8.290 nan 0.000 0.410 324 A N 6.009 128.851 122.820 0.036 0.000 2.310 324 A HA 0.685 5.005 4.320 0.000 0.000 0.299 324 A C -0.604 176.953 177.584 -0.045 0.000 1.147 324 A CA -0.611 51.441 52.037 0.024 0.000 0.818 324 A CB 0.439 19.466 19.000 0.044 0.000 1.096 324 A HN 0.919 nan 8.150 nan 0.000 0.495 325 I N 1.905 122.473 120.570 -0.004 0.000 2.330 325 I HA 0.261 4.431 4.170 0.000 0.000 0.289 325 I C -0.699 175.410 176.117 -0.013 0.000 1.001 325 I CA -0.303 60.976 61.300 -0.035 0.000 1.193 325 I CB 1.243 39.282 38.000 0.065 0.000 1.345 325 I HN 0.522 nan 8.210 nan 0.000 0.461 326 c N 4.502 123.081 118.600 -0.035 0.000 2.382 326 c HA 0.477 5.047 4.570 0.000 0.000 0.327 326 c C -0.168 174.050 174.090 0.215 0.000 1.250 326 c CA -0.809 55.569 56.329 0.081 0.000 1.707 326 c CB 1.019 43.576 42.510 0.077 0.000 2.272 326 c HN 0.617 nan 8.230 nan 0.000 0.506 327 D N 0.518 121.034 120.400 0.193 0.000 2.185 327 D HA 0.228 4.868 4.640 0.000 0.000 0.247 327 D C -0.959 175.305 176.300 -0.059 0.000 1.027 327 D CA -0.182 53.893 54.000 0.124 0.000 0.861 327 D CB 1.776 42.599 40.800 0.038 0.000 1.202 327 D HN 0.613 nan 8.370 nan 0.000 0.453 328 Y N 1.617 121.582 120.300 -0.558 0.000 2.336 328 Y HA 0.109 4.659 4.550 0.000 0.000 0.335 328 Y C -0.082 175.503 175.900 -0.525 0.000 1.046 328 Y CA -0.421 56.995 58.100 -1.139 0.000 1.198 328 Y CB 0.733 38.254 38.460 -1.565 0.000 1.182 328 Y HN 0.149 nan 8.280 nan 0.000 0.502 329 D N 5.914 125.676 120.400 -1.064 0.000 2.347 329 D HA 0.122 4.762 4.640 0.000 0.000 0.235 329 D C 0.211 175.888 176.300 -1.038 0.000 1.149 329 D CA -0.091 53.460 54.000 -0.748 0.000 0.850 329 D CB 1.174 41.705 40.800 -0.448 0.000 1.061 329 D HN 0.774 nan 8.370 nan 0.000 0.487 330 K N 1.641 121.665 120.400 -0.628 0.000 2.057 330 K HA -0.073 4.247 4.320 0.000 0.000 0.206 330 K C 1.850 178.319 176.600 -0.219 0.000 1.050 330 K CA 1.005 57.075 56.287 -0.363 0.000 0.935 330 K CB 0.096 32.539 32.500 -0.094 0.000 0.715 330 K HN 0.336 nan 8.250 nan 0.000 0.439 331 T N 0.878 115.319 114.554 -0.188 0.000 2.614 331 T HA -0.100 4.250 4.350 0.000 0.000 0.263 331 T C 1.703 176.338 174.700 -0.107 0.000 1.055 331 T CA 1.815 63.847 62.100 -0.113 0.000 1.162 331 T CB -0.226 68.586 68.868 -0.093 0.000 0.863 331 T HN 0.256 nan 8.240 nan 0.000 0.414 332 T N 1.916 116.384 114.554 -0.144 0.000 3.144 332 T HA 0.336 4.686 4.350 0.000 0.000 0.249 332 T C 0.641 175.277 174.700 -0.105 0.000 1.089 332 T CA -0.155 61.884 62.100 -0.102 0.000 0.989 332 T CB -0.519 68.294 68.868 -0.090 0.000 0.992 332 T HN 0.337 nan 8.240 nan 0.000 0.540 333 L N 1.242 122.353 121.223 -0.187 0.000 3.887 333 L HA -0.156 4.184 4.340 0.000 0.000 0.546 333 L C -0.583 176.269 176.870 -0.031 0.000 1.196 333 L CA -0.168 54.602 54.840 -0.117 0.000 0.777 333 L CB -1.738 40.380 42.059 0.098 0.000 1.346 333 L HN 0.147 nan 8.230 nan 0.000 0.810 334 V N -0.889 118.892 119.914 -0.222 0.000 3.178 334 V HA 0.502 4.622 4.120 0.000 0.000 0.302 334 V C -0.708 175.275 176.094 -0.186 0.000 1.262 334 V CA -0.820 61.454 62.300 -0.043 0.000 1.030 334 V CB 2.392 34.201 31.823 -0.023 0.000 1.074 334 V HN 0.307 nan 8.190 nan 0.000 0.438 335 W N 2.275 123.605 121.300 0.049 0.000 2.417 335 W HA 0.602 5.262 4.660 0.000 0.000 0.317 335 W C 0.084 176.591 176.519 -0.019 0.000 1.121 335 W CA -0.308 57.057 57.345 0.032 0.000 1.208 335 W CB 0.920 30.396 29.460 0.027 0.000 1.253 335 W HN 0.399 nan 8.180 nan 0.000 0.533 336 N N 2.229 121.008 118.700 0.132 0.000 2.342 336 N HA 0.413 5.153 4.740 0.000 0.000 0.293 336 N C -1.517 174.033 175.510 0.068 0.000 1.026 336 N CA -0.507 52.578 53.050 0.059 0.000 0.857 336 N CB 1.778 40.261 38.487 -0.007 0.000 1.256 336 N HN 0.259 nan 8.380 nan 0.000 0.484 337 c N 2.561 121.180 118.600 0.032 0.000 2.816 337 c HA 0.319 4.889 4.570 0.000 0.000 0.255 337 c C -2.000 172.083 174.090 -0.011 0.000 1.141 337 c CA -1.415 54.922 56.329 0.012 0.000 1.554 337 c CB -0.218 42.287 42.510 -0.008 0.000 1.778 337 c HN 0.521 nan 8.230 nan 0.000 0.429 338 P HA 0.108 nan 4.420 nan 0.000 0.271 338 P C 1.072 178.357 177.300 -0.026 0.000 1.220 338 P CA 0.500 63.590 63.100 -0.017 0.000 0.768 338 P CB 0.885 32.579 31.700 -0.010 0.000 0.848 339 T N -0.527 114.006 114.554 -0.036 0.000 2.869 339 T HA -0.166 4.184 4.350 0.000 0.000 0.270 339 T C 1.426 176.095 174.700 -0.053 0.000 1.082 339 T CA 1.803 63.877 62.100 -0.043 0.000 1.123 339 T CB -1.447 67.396 68.868 -0.041 0.000 0.856 339 T HN 0.408 nan 8.240 nan 0.000 0.499 340 T N 2.162 116.689 114.554 -0.044 0.000 2.929 340 T HA -0.085 4.265 4.350 0.000 0.000 0.271 340 T C 1.421 176.071 174.700 -0.083 0.000 1.085 340 T CA 1.067 63.136 62.100 -0.051 0.000 1.125 340 T CB -0.268 68.585 68.868 -0.026 0.000 0.874 340 T HN 0.629 nan 8.240 nan 0.000 0.494 341 Q N -0.207 119.555 119.800 -0.064 0.000 2.186 341 Q HA 0.270 4.610 4.340 0.000 0.000 0.241 341 Q C 1.163 177.124 176.000 -0.065 0.000 0.849 341 Q CA -0.234 55.537 55.803 -0.054 0.000 1.053 341 Q CB 0.616 29.387 28.738 0.054 0.000 1.146 341 Q HN 0.311 nan 8.270 nan 0.000 0.475 342 E N 0.641 120.762 120.200 -0.132 0.000 2.006 342 E HA -0.114 4.237 4.350 0.000 0.000 0.192 342 E C -0.507 176.092 176.600 -0.001 0.000 0.993 342 E CA 0.974 57.337 56.400 -0.062 0.000 0.808 342 E CB 0.254 29.923 29.700 -0.052 0.000 0.764 342 E HN 0.267 nan 8.360 nan 0.000 0.449 343 H N -0.747 118.329 119.070 0.010 0.000 3.665 343 H HA -0.148 4.408 4.556 0.000 0.000 0.316 343 H C -0.703 174.584 175.328 -0.069 0.000 0.870 343 H CA 0.822 56.865 56.048 -0.009 0.000 0.947 343 H CB -1.718 28.023 29.762 -0.035 0.000 1.453 343 H HN 0.182 nan 8.280 nan 0.000 0.339 344 I N 2.513 123.103 120.570 0.033 0.000 2.428 344 I HA 0.278 4.448 4.170 0.000 0.000 0.296 344 I C 0.732 176.789 176.117 -0.100 0.000 0.985 344 I CA -0.174 61.052 61.300 -0.123 0.000 1.260 344 I CB 1.859 39.781 38.000 -0.130 0.000 1.389 344 I HN 0.406 nan 8.210 nan 0.000 0.484 345 E N 3.434 123.508 120.200 -0.209 0.000 2.234 345 E HA 0.531 4.881 4.350 0.000 0.000 0.266 345 E C -1.308 175.206 176.600 -0.143 0.000 0.877 345 E CA -0.353 55.982 56.400 -0.108 0.000 0.758 345 E CB 2.106 31.764 29.700 -0.070 0.000 1.170 345 E HN 0.573 nan 8.360 nan 0.000 0.415 346 T N 1.163 115.688 114.554 -0.048 0.000 2.831 346 T HA 0.594 4.944 4.350 0.000 0.000 0.287 346 T C -1.576 173.128 174.700 0.007 0.000 1.070 346 T CA -0.612 61.484 62.100 -0.007 0.000 1.010 346 T CB 1.695 70.582 68.868 0.032 0.000 1.264 346 T HN 0.287 nan 8.240 nan 0.000 0.532 347 S N -0.164 115.544 115.700 0.013 0.000 2.616 347 S HA 0.567 5.037 4.470 0.000 0.000 0.276 347 S C -0.015 174.574 174.600 -0.017 0.000 1.159 347 S CA 0.009 58.200 58.200 -0.015 0.000 1.000 347 S CB 0.659 63.819 63.200 -0.067 0.000 1.117 347 S HN 0.863 nan 8.310 nan 0.000 0.464 348 A N 3.374 126.188 122.820 -0.010 0.000 2.308 348 A HA 0.301 4.621 4.320 0.000 0.000 0.217 348 A C 1.391 178.962 177.584 -0.021 0.000 1.216 348 A CA 0.799 52.832 52.037 -0.007 0.000 0.864 348 A CB -0.265 18.738 19.000 0.004 0.000 0.902 348 A HN 0.744 nan 8.150 nan 0.000 0.499 349 T N -1.712 112.821 114.554 -0.035 0.000 3.034 349 T HA 0.428 4.778 4.350 0.000 0.000 0.248 349 T C 1.199 175.757 174.700 -0.237 0.000 1.040 349 T CA 0.913 63.000 62.100 -0.021 0.000 1.107 349 T CB 0.558 69.528 68.868 0.171 0.000 0.932 349 T HN 0.566 nan 8.240 nan 0.000 0.474 350 G N 0.328 108.802 108.800 -0.544 0.000 3.218 350 G HA2 0.460 4.420 3.960 0.000 0.000 0.143 350 G HA3 0.460 4.420 3.960 0.000 0.000 0.143 350 G C -1.580 173.095 174.900 -0.375 0.000 1.220 350 G CA -0.337 44.318 45.100 -0.743 0.000 1.382 350 G HN 0.425 nan 8.290 nan 0.000 0.682 351 W N -0.605 120.388 121.300 -0.511 0.000 2.758 351 W HA 0.775 5.435 4.660 0.000 0.000 0.355 351 W C -0.529 175.921 176.519 -0.116 0.000 1.223 351 W CA -1.353 55.843 57.345 -0.248 0.000 1.182 351 W CB 0.622 29.914 29.460 -0.279 0.000 1.464 351 W HN 0.414 nan 8.180 nan 0.000 0.630 352 C N 2.776 122.165 119.300 0.147 0.000 2.369 352 C HA 0.746 5.206 4.460 0.000 0.000 0.358 352 C C 1.138 176.217 174.990 0.147 0.000 1.274 352 C CA 1.106 60.169 59.018 0.075 0.000 1.935 352 C CB -0.512 27.266 27.740 0.063 0.000 2.431 352 C HN 1.173 nan 8.230 nan 0.000 0.545 353 G N 4.528 113.368 108.800 0.067 0.000 2.692 353 G HA2 -0.208 3.752 3.960 0.000 0.000 0.248 353 G HA3 -0.208 3.752 3.960 0.000 0.000 0.248 353 G C 0.639 175.639 174.900 0.166 0.000 1.340 353 G CA 0.072 45.234 45.100 0.104 0.000 0.896 353 G HN 0.770 nan 8.290 nan 0.000 0.570 354 R N -1.347 119.266 120.500 0.187 0.000 2.052 354 R HA 0.153 4.494 4.340 0.000 0.000 0.226 354 R C 1.961 178.297 176.300 0.061 0.000 1.145 354 R CA 1.977 58.182 56.100 0.174 0.000 0.952 354 R CB -0.124 30.334 30.300 0.263 0.000 0.847 354 R HN 0.438 nan 8.270 nan 0.000 0.431 355 F N -0.147 119.931 119.950 0.213 0.000 2.781 355 F HA 0.297 4.824 4.527 0.000 0.000 0.322 355 F C 0.117 175.936 175.800 0.031 0.000 1.108 355 F CA -0.438 57.634 58.000 0.120 0.000 1.179 355 F CB 0.714 39.792 39.000 0.129 0.000 1.072 355 F HN -0.000 nan 8.300 nan 0.000 0.545 356 R N -1.972 118.647 120.500 0.199 0.000 3.529 356 R HA 0.170 4.510 4.340 0.000 0.000 0.278 356 R C -3.458 172.904 176.300 0.103 0.000 0.963 356 R CA -1.433 54.724 56.100 0.094 0.000 0.863 356 R CB -0.662 29.651 30.300 0.023 0.000 1.335 356 R HN -0.317 nan 8.270 nan 0.000 0.543 357 P HA 0.054 nan 4.420 nan 0.000 0.264 357 P C -0.395 176.940 177.300 0.058 0.000 1.183 357 P CA 0.594 63.719 63.100 0.043 0.000 0.763 357 P CB 0.610 32.307 31.700 -0.005 0.000 0.807 358 A N 2.890 125.760 122.820 0.084 0.000 2.406 358 A HA 0.076 4.396 4.320 0.000 0.000 0.243 358 A C 0.421 178.054 177.584 0.081 0.000 1.082 358 A CA -0.190 51.917 52.037 0.116 0.000 0.786 358 A CB -0.132 18.956 19.000 0.147 0.000 1.029 358 A HN 0.581 nan 8.150 nan 0.000 0.495 359 E N 1.612 121.875 120.200 0.105 0.000 2.313 359 E HA 0.285 4.635 4.350 0.000 0.000 0.276 359 E C -2.194 174.406 176.600 -0.001 0.000 1.031 359 E CA -1.935 54.477 56.400 0.021 0.000 0.857 359 E CB 0.701 30.406 29.700 0.008 0.000 1.040 359 E HN 0.476 nan 8.360 nan 0.000 0.408 360 P HA 0.052 nan 4.420 nan 0.000 0.274 360 P C -1.090 176.146 177.300 -0.106 0.000 1.231 360 P CA 0.115 63.175 63.100 -0.066 0.000 0.790 360 P CB 0.718 32.217 31.700 -0.335 0.000 0.951 361 H N 1.741 120.931 119.070 0.200 0.000 2.991 361 H HA 0.282 4.838 4.556 0.000 0.000 0.304 361 H C -0.294 175.235 175.328 0.335 0.000 1.040 361 H CA -0.302 55.921 56.048 0.292 0.000 1.410 361 H CB 0.182 30.103 29.762 0.264 0.000 1.529 361 H HN 0.282 nan 8.280 nan 0.000 0.509 362 F N 1.659 121.802 119.950 0.322 0.000 2.380 362 F HA 0.097 4.624 4.527 0.000 0.000 0.325 362 F C 1.753 177.742 175.800 0.316 0.000 1.136 362 F CA -0.327 57.873 58.000 0.333 0.000 1.171 362 F CB 0.872 39.997 39.000 0.208 0.000 1.230 362 F HN 0.337 nan 8.300 nan 0.000 0.554 363 T N -2.062 112.783 114.554 0.485 0.000 2.726 363 T HA 0.080 4.430 4.350 0.000 0.000 0.294 363 T C 1.334 176.217 174.700 0.305 0.000 1.013 363 T CA -0.232 62.083 62.100 0.358 0.000 0.996 363 T CB 0.982 70.034 68.868 0.307 0.000 1.016 363 T HN 0.546 nan 8.240 nan 0.000 0.529 364 S N 0.810 116.645 115.700 0.226 0.000 2.359 364 S HA -0.157 4.313 4.470 0.000 0.000 0.223 364 S C 1.575 176.284 174.600 0.181 0.000 1.039 364 S CA 1.722 60.034 58.200 0.185 0.000 1.042 364 S CB -0.934 62.350 63.200 0.140 0.000 0.915 364 S HN 0.934 nan 8.310 nan 0.000 0.439 365 D N -0.172 120.334 120.400 0.177 0.000 2.324 365 D HA 0.138 4.778 4.640 0.000 0.000 0.235 365 D C 1.128 177.548 176.300 0.200 0.000 1.095 365 D CA 0.755 54.852 54.000 0.162 0.000 0.871 365 D CB -1.025 39.857 40.800 0.136 0.000 0.906 365 D HN 0.470 nan 8.370 nan 0.000 0.522 366 G N 1.384 110.346 108.800 0.270 0.000 2.402 366 G HA2 -0.400 3.560 3.960 0.000 0.000 0.300 366 G HA3 -0.400 3.560 3.960 0.000 0.000 0.300 366 G C 1.100 176.253 174.900 0.421 0.000 0.987 366 G CA 1.090 46.421 45.100 0.386 0.000 0.881 366 G HN 0.552 nan 8.290 nan 0.000 0.512 367 S N -2.036 113.854 115.700 0.316 0.000 2.436 367 S HA 0.429 4.899 4.470 0.000 0.000 0.228 367 S C 1.071 175.824 174.600 0.255 0.000 1.014 367 S CA 1.131 59.481 58.200 0.250 0.000 0.950 367 S CB 0.400 63.700 63.200 0.167 0.000 0.784 367 S HN 0.777 nan 8.310 nan 0.000 0.504 368 S N 0.261 116.113 115.700 0.253 0.000 2.685 368 S HA 0.813 5.283 4.470 0.000 0.000 0.282 368 S C -1.203 173.412 174.600 0.025 0.000 1.159 368 S CA -0.948 57.288 58.200 0.060 0.000 0.833 368 S CB 1.697 64.836 63.200 -0.102 0.000 1.151 368 S HN 0.590 nan 8.310 nan 0.000 0.485 369 F N -0.962 118.734 119.950 -0.423 0.000 2.654 369 F HA 0.785 5.312 4.527 0.000 0.000 0.308 369 F C -2.187 173.398 175.800 -0.359 0.000 1.108 369 F CA -1.287 56.402 58.000 -0.518 0.000 0.957 369 F CB 0.637 38.747 39.000 -1.485 0.000 1.309 369 F HN 0.464 nan 8.300 nan 0.000 0.446 370 Y N 1.542 121.902 120.300 0.100 0.000 2.377 370 Y HA 0.690 5.240 4.550 0.000 0.000 0.339 370 Y C -0.183 175.865 175.900 0.246 0.000 1.011 370 Y CA -0.963 57.191 58.100 0.089 0.000 1.093 370 Y CB 2.044 40.532 38.460 0.046 0.000 1.201 370 Y HN 0.749 nan 8.280 nan 0.000 0.455 371 K N 3.156 123.766 120.400 0.350 0.000 2.523 371 K HA 0.536 4.856 4.320 0.000 0.000 0.257 371 K C -1.601 175.137 176.600 0.230 0.000 0.932 371 K CA -0.596 55.888 56.287 0.327 0.000 0.812 371 K CB 1.687 34.374 32.500 0.312 0.000 1.326 371 K HN 0.726 nan 8.250 nan 0.000 0.433 372 I N 4.474 125.160 120.570 0.193 0.000 2.471 372 I HA 0.196 4.366 4.170 0.000 0.000 0.286 372 I C -0.010 176.197 176.117 0.151 0.000 1.079 372 I CA -0.406 60.984 61.300 0.149 0.000 1.398 372 I CB 0.961 39.040 38.000 0.131 0.000 1.403 372 I HN 0.381 nan 8.210 nan 0.000 0.530 373 V N 1.628 121.648 119.914 0.177 0.000 3.120 373 V HA 0.452 4.572 4.120 0.000 0.000 0.303 373 V C -0.238 176.004 176.094 0.246 0.000 1.238 373 V CA -0.805 61.603 62.300 0.179 0.000 1.008 373 V CB 1.769 33.699 31.823 0.178 0.000 1.064 373 V HN 0.603 nan 8.190 nan 0.000 0.434 374 S N 2.883 118.653 115.700 0.116 0.000 2.498 374 S HA 0.286 4.756 4.470 0.000 0.000 0.281 374 S C -0.050 174.598 174.600 0.079 0.000 1.265 374 S CA 0.191 58.396 58.200 0.009 0.000 1.071 374 S CB -0.088 63.048 63.200 -0.105 0.000 0.894 374 S HN 1.133 nan 8.310 nan 0.000 0.491 375 D N 2.317 122.594 120.400 -0.205 0.000 2.414 375 D HA 0.128 4.768 4.640 0.000 0.000 0.259 375 D C 1.058 177.212 176.300 -0.244 0.000 1.269 375 D CA -0.629 53.014 54.000 -0.595 0.000 1.028 375 D CB 0.396 40.451 40.800 -1.241 0.000 1.093 375 D HN 0.345 nan 8.370 nan 0.000 0.545 376 K N -1.045 119.220 120.400 -0.224 0.000 2.218 376 K HA -0.179 4.141 4.320 0.000 0.000 0.205 376 K C 0.453 176.997 176.600 -0.093 0.000 1.046 376 K CA 1.464 57.687 56.287 -0.107 0.000 0.933 376 K CB -0.059 32.389 32.500 -0.087 0.000 0.728 376 K HN 0.370 nan 8.250 nan 0.000 0.454 377 D N -1.165 119.177 120.400 -0.096 0.000 2.340 377 D HA 0.052 4.692 4.640 0.000 0.000 0.220 377 D C 0.803 177.101 176.300 -0.003 0.000 1.039 377 D CA 0.907 54.907 54.000 0.001 0.000 0.866 377 D CB 0.745 41.588 40.800 0.071 0.000 0.913 377 D HN 0.460 nan 8.370 nan 0.000 0.523 378 G N 0.645 109.368 108.800 -0.128 0.000 2.132 378 G HA2 -0.275 3.685 3.960 0.000 0.000 0.234 378 G HA3 -0.275 3.685 3.960 0.000 0.000 0.234 378 G C -0.326 174.275 174.900 -0.497 0.000 0.989 378 G CA -0.360 44.555 45.100 -0.308 0.000 0.676 378 G HN 0.271 nan 8.290 nan 0.000 0.522 379 Y N -0.046 120.030 120.300 -0.373 0.000 2.331 379 Y HA 0.623 5.173 4.550 0.000 0.000 0.338 379 Y C 0.691 176.255 175.900 -0.560 0.000 0.992 379 Y CA -1.174 56.623 58.100 -0.506 0.000 1.121 379 Y CB 1.465 39.527 38.460 -0.663 0.000 1.184 379 Y HN -0.017 nan 8.280 nan 0.000 0.469 380 K N 3.290 123.469 120.400 -0.369 0.000 2.402 380 K HA 0.175 4.495 4.320 0.000 0.000 0.285 380 K C -1.080 175.298 176.600 -0.370 0.000 1.054 380 K CA 0.574 56.716 56.287 -0.242 0.000 1.001 380 K CB -0.288 32.132 32.500 -0.134 0.000 0.946 380 K HN 0.677 nan 8.250 nan 0.000 0.473 381 H N 0.893 119.940 119.070 -0.039 0.000 2.977 381 H HA 0.458 5.014 4.556 0.000 0.000 0.350 381 H C -0.498 174.878 175.328 0.080 0.000 1.238 381 H CA -1.188 54.809 56.048 -0.085 0.000 1.124 381 H CB 1.481 31.137 29.762 -0.175 0.000 1.866 381 H HN 0.318 nan 8.280 nan 0.000 0.550 382 I N 2.562 123.200 120.570 0.113 0.000 2.371 382 I HA 0.225 4.395 4.170 0.000 0.000 0.290 382 I C -0.125 175.951 176.117 -0.069 0.000 1.028 382 I CA -0.268 61.041 61.300 0.016 0.000 1.345 382 I CB 0.150 38.098 38.000 -0.087 0.000 1.407 382 I HN 0.454 nan 8.210 nan 0.000 0.501 383 c N 3.015 121.453 118.600 -0.270 0.000 2.898 383 c HA 0.534 5.104 4.570 0.000 0.000 0.304 383 c C -0.348 173.334 174.090 -0.679 0.000 1.237 383 c CA -1.040 54.928 56.329 -0.601 0.000 1.529 383 c CB 1.231 42.947 42.510 -1.323 0.000 2.021 383 c HN 0.744 nan 8.230 nan 0.000 0.474 384 Q N 0.420 119.773 119.800 -0.745 0.000 2.340 384 Q HA 0.624 4.965 4.340 0.000 0.000 0.249 384 Q C -1.387 173.960 176.000 -1.088 0.000 0.957 384 Q CA 0.325 55.581 55.803 -0.912 0.000 0.882 384 Q CB 0.895 29.235 28.738 -0.662 0.000 1.235 384 Q HN 0.708 nan 8.270 nan 0.000 0.439 385 F N 0.317 119.654 119.950 -1.022 0.000 2.603 385 F HA 0.341 4.868 4.527 0.000 0.000 0.317 385 F C -0.101 175.230 175.800 -0.782 0.000 1.066 385 F CA -0.989 56.363 58.000 -1.079 0.000 0.941 385 F CB 1.941 39.612 39.000 -2.215 0.000 1.291 385 F HN 0.260 nan 8.300 nan 0.000 0.472 386 Q N 1.608 121.337 119.800 -0.120 0.000 2.309 386 Q HA 0.239 4.579 4.340 0.000 0.000 0.264 386 Q C 0.823 177.019 176.000 0.326 0.000 1.008 386 Q CA -0.670 55.166 55.803 0.056 0.000 0.853 386 Q CB 2.407 31.182 28.738 0.061 0.000 1.314 386 Q HN 0.720 nan 8.270 nan 0.000 0.448 387 K N 1.634 122.251 120.400 0.361 0.000 2.077 387 K HA -0.185 4.135 4.320 0.000 0.000 0.213 387 K C -0.248 176.612 176.600 0.433 0.000 1.051 387 K CA 1.558 58.130 56.287 0.475 0.000 0.929 387 K CB 0.234 32.927 32.500 0.322 0.000 0.715 387 K HN 0.569 nan 8.250 nan 0.000 0.451 388 D N 0.709 121.250 120.400 0.234 0.000 2.255 388 D HA 0.036 4.676 4.640 0.000 0.000 0.249 388 D C -0.017 176.286 176.300 0.005 0.000 1.078 388 D CA -0.108 53.939 54.000 0.079 0.000 0.896 388 D CB 1.269 42.098 40.800 0.049 0.000 1.194 388 D HN 0.195 nan 8.370 nan 0.000 0.429 389 R N 1.395 121.747 120.500 -0.247 0.000 2.738 389 R HA 0.162 4.503 4.340 0.000 0.000 0.268 389 R C -0.457 175.816 176.300 -0.045 0.000 1.062 389 R CA 0.048 55.999 56.100 -0.248 0.000 1.158 389 R CB 0.563 30.660 30.300 -0.338 0.000 1.046 389 R HN 0.261 nan 8.270 nan 0.000 0.493 390 K N 3.397 123.803 120.400 0.010 0.000 2.545 390 K HA 0.290 4.610 4.320 0.000 0.000 0.252 390 K C -2.438 174.166 176.600 0.005 0.000 0.948 390 K CA -2.073 54.218 56.287 0.005 0.000 0.827 390 K CB 2.249 34.752 32.500 0.005 0.000 1.128 390 K HN 0.545 nan 8.250 nan 0.000 0.429 391 P HA -0.181 nan 4.420 nan 0.000 0.235 391 P C -0.976 176.327 177.300 0.004 0.000 1.068 391 P CA 0.893 63.993 63.100 0.001 0.000 0.934 391 P CB -0.167 31.532 31.700 -0.003 0.000 0.863 392 E N 2.441 122.649 120.200 0.013 0.000 2.228 392 E HA -0.240 4.110 4.350 0.000 0.000 0.213 392 E C -0.135 176.466 176.600 0.001 0.000 1.282 392 E CA 0.561 56.970 56.400 0.014 0.000 0.707 392 E CB -1.628 28.080 29.700 0.013 0.000 1.150 392 E HN 0.667 nan 8.360 nan 0.000 0.362 393 Q N -2.127 117.668 119.800 -0.009 0.000 1.748 393 Q HA 0.037 4.377 4.340 0.000 0.000 0.172 393 Q C 0.776 176.730 176.000 -0.076 0.000 0.810 393 Q CA 0.244 56.022 55.803 -0.043 0.000 0.831 393 Q CB 0.278 28.994 28.738 -0.037 0.000 1.249 393 Q HN 0.173 nan 8.270 nan 0.000 0.375 394 V N -0.839 119.057 119.914 -0.030 0.000 2.828 394 V HA -0.139 3.981 4.120 0.000 0.000 0.260 394 V C 1.046 176.950 176.094 -0.316 0.000 1.101 394 V CA 0.903 63.217 62.300 0.022 0.000 1.123 394 V CB -0.275 31.724 31.823 0.295 0.000 0.704 394 V HN 0.496 nan 8.190 nan 0.000 0.493 395 c N -0.392 117.930 118.600 -0.463 0.000 2.493 395 c HA 0.678 5.248 4.570 0.000 0.000 0.326 395 c C 0.501 174.240 174.090 -0.584 0.000 1.200 395 c CA -0.156 55.653 56.329 -0.866 0.000 1.739 395 c CB 1.532 43.444 42.510 -0.998 0.000 2.300 395 c HN 0.440 nan 8.230 nan 0.000 0.500 396 T N 3.829 117.989 114.554 -0.656 0.000 2.930 396 T HA 0.380 4.730 4.350 0.000 0.000 0.313 396 T C -0.699 173.776 174.700 -0.375 0.000 1.019 396 T CA -0.014 61.873 62.100 -0.355 0.000 1.004 396 T CB 0.050 68.773 68.868 -0.241 0.000 0.987 396 T HN 0.404 nan 8.240 nan 0.000 0.456 397 F N 2.899 122.722 119.950 -0.211 0.000 2.543 397 F HA 0.272 4.799 4.527 0.000 0.000 0.375 397 F C 1.598 177.279 175.800 -0.198 0.000 1.075 397 F CA -0.289 57.587 58.000 -0.208 0.000 1.225 397 F CB 0.500 39.389 39.000 -0.185 0.000 1.099 397 F HN 0.551 nan 8.300 nan 0.000 0.561 398 I N 1.687 122.210 120.570 -0.078 0.000 3.883 398 I HA 0.051 4.221 4.170 0.000 0.000 0.326 398 I C 0.080 176.063 176.117 -0.223 0.000 1.283 398 I CA 0.573 61.724 61.300 -0.249 0.000 1.161 398 I CB -0.172 37.605 38.000 -0.371 0.000 1.012 398 I HN 0.511 nan 8.210 nan 0.000 0.421 399 T N 0.878 115.288 114.554 -0.240 0.000 2.916 399 T HA 0.524 4.874 4.350 0.000 0.000 0.305 399 T C -0.652 173.517 174.700 -0.886 0.000 1.119 399 T CA -0.698 61.106 62.100 -0.494 0.000 1.008 399 T CB 2.861 71.336 68.868 -0.653 0.000 1.129 399 T HN -0.030 nan 8.240 nan 0.000 0.480 400 K N 0.221 120.103 120.400 -0.863 0.000 2.495 400 K HA 0.842 5.162 4.320 0.000 0.000 0.268 400 K C -0.545 175.789 176.600 -0.443 0.000 1.008 400 K CA -1.053 54.816 56.287 -0.698 0.000 0.882 400 K CB 2.522 34.854 32.500 -0.280 0.000 1.443 400 K HN 1.047 nan 8.250 nan 0.000 0.447 401 G N -0.417 108.244 108.800 -0.231 0.000 2.375 401 G HA2 0.268 4.228 3.960 0.000 0.000 0.663 401 G HA3 0.268 4.228 3.960 0.000 0.000 0.663 401 G C -1.409 173.127 174.900 -0.607 0.000 1.391 401 G CA -0.499 44.519 45.100 -0.137 0.000 0.949 401 G HN 0.614 nan 8.290 nan 0.000 0.646 402 A N 1.684 124.282 122.820 -0.370 0.000 3.126 402 A HA 0.672 4.992 4.320 0.000 0.000 0.268 402 A C 0.250 177.824 177.584 -0.018 0.000 1.605 402 A CA 0.650 52.250 52.037 -0.729 0.000 1.305 402 A CB -0.986 17.823 19.000 -0.319 0.000 1.160 402 A HN 1.917 nan 8.150 nan 0.000 0.609 403 W N -0.750 120.461 121.300 -0.148 0.000 2.982 403 W HA 0.596 5.256 4.660 0.000 0.000 0.344 403 W C -1.263 175.264 176.519 0.014 0.000 1.215 403 W CA -0.796 56.563 57.345 0.023 0.000 1.182 403 W CB 0.196 29.648 29.460 -0.014 0.000 1.437 403 W HN 0.284 nan 8.180 nan 0.000 0.570 404 E N 0.604 120.886 120.200 0.137 0.000 2.369 404 E HA 0.490 4.841 4.350 0.000 0.000 0.270 404 E C -1.163 175.495 176.600 0.097 0.000 0.909 404 E CA -1.201 55.111 56.400 -0.148 0.000 0.775 404 E CB 3.287 32.962 29.700 -0.042 0.000 1.270 404 E HN 0.183 nan 8.360 nan 0.000 0.445 405 V N 3.636 123.530 119.914 -0.034 0.000 2.432 405 V HA 0.022 4.142 4.120 0.000 0.000 0.271 405 V C 1.179 177.356 176.094 0.139 0.000 1.046 405 V CA -0.166 62.192 62.300 0.096 0.000 0.945 405 V CB 0.554 32.339 31.823 -0.064 0.000 0.992 405 V HN 0.683 nan 8.190 nan 0.000 0.471 406 I N 3.281 123.958 120.570 0.179 0.000 2.193 406 I HA -0.006 4.164 4.170 0.000 0.000 0.240 406 I C 1.087 177.312 176.117 0.181 0.000 1.084 406 I CA 1.284 62.678 61.300 0.157 0.000 1.365 406 I CB -0.597 37.435 38.000 0.053 0.000 1.064 406 I HN 0.835 nan 8.210 nan 0.000 0.410 407 S N -0.508 115.302 115.700 0.183 0.000 2.547 407 S HA 0.572 5.042 4.470 0.000 0.000 0.270 407 S C -0.801 173.900 174.600 0.168 0.000 1.150 407 S CA -0.824 57.485 58.200 0.181 0.000 0.850 407 S CB 1.804 65.112 63.200 0.179 0.000 1.118 407 S HN 0.044 nan 8.310 nan 0.000 0.461 408 I N 2.793 123.422 120.570 0.098 0.000 2.297 408 I HA 0.277 4.447 4.170 0.000 0.000 0.291 408 I C 0.909 176.982 176.117 -0.072 0.000 1.033 408 I CA -0.469 60.799 61.300 -0.053 0.000 1.253 408 I CB 1.047 38.826 38.000 -0.369 0.000 1.396 408 I HN 0.729 nan 8.210 nan 0.000 0.476 409 E N 4.991 125.219 120.200 0.046 0.000 2.122 409 E HA 0.168 4.518 4.350 0.000 0.000 0.190 409 E C 0.434 177.064 176.600 0.050 0.000 0.977 409 E CA 0.401 56.843 56.400 0.069 0.000 0.820 409 E CB 0.381 30.125 29.700 0.073 0.000 0.770 409 E HN 0.691 nan 8.360 nan 0.000 0.462 410 A N 0.371 123.221 122.820 0.050 0.000 2.594 410 A HA 0.541 4.861 4.320 0.000 0.000 0.296 410 A C -1.922 175.741 177.584 0.132 0.000 1.061 410 A CA -0.684 51.393 52.037 0.066 0.000 0.689 410 A CB 1.220 20.177 19.000 -0.072 0.000 1.280 410 A HN 0.048 nan 8.150 nan 0.000 0.406 411 L N 1.599 122.905 121.223 0.138 0.000 2.427 411 L HA 0.659 4.999 4.340 0.000 0.000 0.264 411 L C -0.141 176.818 176.870 0.149 0.000 0.989 411 L CA 0.383 55.299 54.840 0.127 0.000 0.865 411 L CB 1.481 43.612 42.059 0.120 0.000 1.209 411 L HN 0.734 nan 8.230 nan 0.000 0.430 412 T N 1.279 115.938 114.554 0.175 0.000 2.902 412 T HA 0.221 4.571 4.350 0.000 0.000 0.280 412 T C 1.334 176.081 174.700 0.079 0.000 0.992 412 T CA 0.231 62.415 62.100 0.139 0.000 1.015 412 T CB 1.399 70.385 68.868 0.198 0.000 1.044 412 T HN 0.719 nan 8.240 nan 0.000 0.520 413 S N 0.478 116.204 115.700 0.044 0.000 2.493 413 S HA -0.144 4.326 4.470 0.000 0.000 0.243 413 S C 0.771 175.355 174.600 -0.026 0.000 0.991 413 S CA 1.601 59.818 58.200 0.027 0.000 0.957 413 S CB -0.478 62.731 63.200 0.015 0.000 0.756 413 S HN 0.880 nan 8.310 nan 0.000 0.521 414 D N -1.984 118.348 120.400 -0.114 0.000 2.399 414 D HA 0.219 4.860 4.640 0.000 0.000 0.269 414 D C -0.029 176.164 176.300 -0.177 0.000 1.105 414 D CA -0.326 53.528 54.000 -0.245 0.000 0.844 414 D CB -0.020 40.464 40.800 -0.527 0.000 1.372 414 D HN 0.523 nan 8.370 nan 0.000 0.517 415 Y N 0.010 120.309 120.300 -0.001 0.000 2.562 415 Y HA 0.578 5.128 4.550 0.000 0.000 0.343 415 Y C -1.230 174.629 175.900 -0.068 0.000 1.025 415 Y CA -1.811 56.244 58.100 -0.076 0.000 1.082 415 Y CB 2.520 40.895 38.460 -0.143 0.000 1.264 415 Y HN -0.167 nan 8.280 nan 0.000 0.478 416 L N 2.925 124.167 121.223 0.032 0.000 2.415 416 L HA 0.466 4.806 4.340 0.000 0.000 0.268 416 L C -1.920 174.950 176.870 0.000 0.000 0.984 416 L CA -0.992 53.843 54.840 -0.009 0.000 0.853 416 L CB 0.146 42.097 42.059 -0.179 0.000 1.215 416 L HN 0.385 nan 8.230 nan 0.000 0.419 417 Y N 5.616 125.898 120.300 -0.030 0.000 2.313 417 Y HA 0.541 5.091 4.550 0.000 0.000 0.332 417 Y C -0.187 175.717 175.900 0.007 0.000 1.071 417 Y CA 0.027 58.069 58.100 -0.098 0.000 1.169 417 Y CB 0.853 39.223 38.460 -0.150 0.000 1.192 417 Y HN 0.610 nan 8.280 nan 0.000 0.487 418 Y N 0.300 120.643 120.300 0.072 0.000 2.615 418 Y HA 0.817 5.367 4.550 0.000 0.000 0.341 418 Y C -1.707 174.250 175.900 0.094 0.000 1.089 418 Y CA -2.187 55.950 58.100 0.060 0.000 1.049 418 Y CB 1.104 39.587 38.460 0.038 0.000 1.296 418 Y HN 0.395 nan 8.280 nan 0.000 0.470 419 I N 2.950 123.723 120.570 0.340 0.000 2.404 419 I HA 0.630 4.800 4.170 0.000 0.000 0.293 419 I C -0.443 175.876 176.117 0.336 0.000 0.992 419 I CA -0.492 60.945 61.300 0.228 0.000 1.149 419 I CB 1.987 40.058 38.000 0.119 0.000 1.315 419 I HN 0.880 nan 8.210 nan 0.000 0.446 420 S N 3.453 119.312 115.700 0.265 0.000 2.685 420 S HA 0.442 4.912 4.470 0.000 0.000 0.282 420 S C -0.536 174.138 174.600 0.124 0.000 1.159 420 S CA -0.849 57.502 58.200 0.252 0.000 0.833 420 S CB 1.796 65.246 63.200 0.415 0.000 1.151 420 S HN 0.650 nan 8.310 nan 0.000 0.485 421 N N -0.370 118.418 118.700 0.147 0.000 2.389 421 N HA 0.143 4.883 4.740 0.000 0.000 0.260 421 N C 0.448 175.987 175.510 0.048 0.000 1.191 421 N CA -0.279 52.804 53.050 0.056 0.000 0.885 421 N CB 0.312 38.804 38.487 0.009 0.000 1.162 421 N HN 0.849 nan 8.380 nan 0.000 0.512 422 E N -0.076 120.059 120.200 -0.109 0.000 2.046 422 E HA -0.168 4.182 4.350 0.000 0.000 0.190 422 E C -0.243 176.219 176.600 -0.230 0.000 0.982 422 E CA 0.144 56.221 56.400 -0.540 0.000 0.800 422 E CB -0.095 28.605 29.700 -1.667 0.000 0.756 422 E HN 0.309 nan 8.360 nan 0.000 0.449 423 Y N 2.057 122.257 120.300 -0.167 0.000 2.903 423 Y HA -0.158 4.392 4.550 0.000 0.000 0.338 423 Y C 0.462 176.326 175.900 -0.060 0.000 1.265 423 Y CA 0.794 58.857 58.100 -0.063 0.000 1.532 423 Y CB 0.232 38.705 38.460 0.021 0.000 1.293 423 Y HN 0.124 nan 8.280 nan 0.000 0.609 424 K N 3.173 123.261 120.400 -0.521 0.000 2.905 424 K HA -0.351 3.969 4.320 0.000 0.000 0.256 424 K C 0.105 176.615 176.600 -0.150 0.000 1.008 424 K CA 1.277 57.300 56.287 -0.440 0.000 0.752 424 K CB -0.926 31.217 32.500 -0.595 0.000 1.216 424 K HN 0.908 nan 8.250 nan 0.000 0.479 425 E N -1.823 118.315 120.200 -0.104 0.000 2.539 425 E HA -0.259 4.091 4.350 0.000 0.000 0.253 425 E C -0.471 176.085 176.600 -0.073 0.000 1.145 425 E CA 1.055 57.433 56.400 -0.036 0.000 0.738 425 E CB -1.064 28.648 29.700 0.019 0.000 1.308 425 E HN 0.474 nan 8.360 nan 0.000 0.409 426 M N 1.099 120.581 119.600 -0.196 0.000 2.206 426 M HA 0.119 4.599 4.480 0.000 0.000 0.353 426 M C -1.331 174.683 176.300 -0.477 0.000 1.242 426 M CA -1.902 53.094 55.300 -0.507 0.000 1.179 426 M CB 0.678 33.076 32.600 -0.337 0.000 1.374 426 M HN -0.140 nan 8.290 nan 0.000 0.427 427 P HA -0.134 nan 4.420 nan 0.000 0.218 427 P C 1.063 178.204 177.300 -0.264 0.000 1.148 427 P CA 1.447 64.353 63.100 -0.324 0.000 0.822 427 P CB 0.074 31.587 31.700 -0.312 0.000 0.784 428 G N -0.536 108.026 108.800 -0.398 0.000 3.026 428 G HA2 0.234 4.194 3.960 0.000 0.000 0.208 428 G HA3 0.234 4.194 3.960 0.000 0.000 0.208 428 G C 0.740 175.652 174.900 0.021 0.000 1.169 428 G CA 0.182 45.205 45.100 -0.130 0.000 0.788 428 G HN 0.467 nan 8.290 nan 0.000 0.533 429 G N -0.337 108.414 108.800 -0.083 0.000 2.441 429 G HA2 0.620 4.580 3.960 0.000 0.000 0.334 429 G HA3 0.620 4.580 3.960 0.000 0.000 0.334 429 G C -0.854 173.949 174.900 -0.163 0.000 1.161 429 G CA -0.766 44.325 45.100 -0.015 0.000 0.935 429 G HN 0.045 nan 8.290 nan 0.000 0.488 430 R N 1.223 121.559 120.500 -0.273 0.000 2.502 430 R HA 0.425 4.765 4.340 0.000 0.000 0.300 430 R C -1.129 175.162 176.300 -0.016 0.000 0.984 430 R CA -0.830 55.079 56.100 -0.319 0.000 0.882 430 R CB 1.660 31.456 30.300 -0.841 0.000 1.180 430 R HN 0.554 nan 8.270 nan 0.000 0.444 431 N N 1.942 120.689 118.700 0.079 0.000 2.225 431 N HA 0.283 5.024 4.740 0.000 0.000 0.298 431 N C -1.106 174.429 175.510 0.041 0.000 1.076 431 N CA -0.815 52.286 53.050 0.085 0.000 0.792 431 N CB 2.745 41.284 38.487 0.086 0.000 1.498 431 N HN 0.260 nan 8.380 nan 0.000 0.474 432 L N 2.941 124.030 121.223 -0.224 0.000 2.278 432 L HA 0.410 4.750 4.340 0.000 0.000 0.287 432 L C -1.172 175.402 176.870 -0.493 0.000 1.072 432 L CA 0.153 54.825 54.840 -0.280 0.000 0.819 432 L CB -0.428 41.407 42.059 -0.373 0.000 1.176 432 L HN 0.397 nan 8.230 nan 0.000 0.435 433 Y N 4.037 123.936 120.300 -0.669 0.000 2.699 433 Y HA 0.711 5.261 4.550 0.000 0.000 0.326 433 Y C -0.216 175.201 175.900 -0.804 0.000 1.141 433 Y CA -0.800 56.800 58.100 -0.832 0.000 1.246 433 Y CB 1.177 38.880 38.460 -1.262 0.000 1.426 433 Y HN 0.597 nan 8.280 nan 0.000 0.559 434 K N 0.832 120.905 120.400 -0.545 0.000 2.582 434 K HA 0.530 4.850 4.320 0.000 0.000 0.259 434 K C -2.392 173.955 176.600 -0.421 0.000 0.973 434 K CA -0.313 55.593 56.287 -0.635 0.000 0.880 434 K CB 0.908 32.789 32.500 -1.031 0.000 1.310 434 K HN 0.646 nan 8.250 nan 0.000 0.443 435 I N 2.636 123.057 120.570 -0.249 0.000 2.603 435 I HA 0.274 4.444 4.170 0.000 0.000 0.300 435 I C -0.369 175.741 176.117 -0.012 0.000 1.017 435 I CA -1.116 60.135 61.300 -0.082 0.000 1.098 435 I CB 2.182 40.218 38.000 0.060 0.000 1.279 435 I HN 0.690 nan 8.210 nan 0.000 0.437 436 Q N 4.179 124.051 119.800 0.120 0.000 2.296 436 Q HA 0.310 4.650 4.340 0.000 0.000 0.257 436 Q C 0.393 176.555 176.000 0.270 0.000 0.942 436 Q CA -0.419 55.591 55.803 0.345 0.000 0.939 436 Q CB 1.364 30.294 28.738 0.320 0.000 1.198 436 Q HN 0.638 nan 8.270 nan 0.000 0.429 437 L N 2.366 123.724 121.223 0.225 0.000 1.943 437 L HA -0.250 4.090 4.340 0.000 0.000 0.215 437 L C 2.524 179.498 176.870 0.174 0.000 1.074 437 L CA 1.997 56.980 54.840 0.239 0.000 0.759 437 L CB -1.198 40.952 42.059 0.152 0.000 0.888 437 L HN 0.837 nan 8.230 nan 0.000 0.433 438 T N -3.178 111.422 114.554 0.077 0.000 2.836 438 T HA -0.251 4.099 4.350 0.000 0.000 0.268 438 T C 0.677 175.351 174.700 -0.043 0.000 1.080 438 T CA 1.653 63.756 62.100 0.004 0.000 1.128 438 T CB -0.294 68.574 68.868 0.001 0.000 0.839 438 T HN 0.318 nan 8.240 nan 0.000 0.507 439 D N -0.025 120.380 120.400 0.009 0.000 2.323 439 D HA 0.186 4.826 4.640 0.000 0.000 0.242 439 D C -0.181 176.183 176.300 0.106 0.000 1.347 439 D CA -0.615 53.382 54.000 -0.005 0.000 0.988 439 D CB 0.686 41.505 40.800 0.032 0.000 1.314 439 D HN 0.140 nan 8.370 nan 0.000 0.564 440 H N 1.521 120.612 119.070 0.035 0.000 2.563 440 H HA 0.056 4.612 4.556 0.000 0.000 0.272 440 H C 1.388 176.732 175.328 0.026 0.000 1.005 440 H CA 0.635 56.703 56.048 0.034 0.000 1.171 440 H CB 0.079 29.858 29.762 0.029 0.000 1.351 440 H HN 0.297 nan 8.280 nan 0.000 0.602 441 T N -0.619 114.006 114.554 0.118 0.000 2.939 441 T HA -0.074 4.276 4.350 0.000 0.000 0.254 441 T C 1.751 176.481 174.700 0.050 0.000 1.041 441 T CA 0.925 63.066 62.100 0.069 0.000 1.142 441 T CB -0.476 68.414 68.868 0.036 0.000 0.874 441 T HN 0.675 nan 8.240 nan 0.000 0.452 442 N N 2.576 121.305 118.700 0.048 0.000 2.991 442 N HA 0.089 4.829 4.740 0.000 0.000 0.324 442 N C 0.066 175.563 175.510 -0.022 0.000 1.208 442 N CA 0.258 53.315 53.050 0.012 0.000 1.190 442 N CB -0.939 37.567 38.487 0.032 0.000 1.443 442 N HN 0.455 nan 8.380 nan 0.000 0.542 443 K N 0.728 121.123 120.400 -0.008 0.000 2.263 443 K HA 0.325 4.645 4.320 0.000 0.000 0.272 443 K C -0.660 175.907 176.600 -0.055 0.000 1.033 443 K CA -0.643 55.641 56.287 -0.006 0.000 0.884 443 K CB 0.577 33.127 32.500 0.082 0.000 1.107 443 K HN 0.390 nan 8.250 nan 0.000 0.460 444 K N 4.382 124.686 120.400 -0.160 0.000 2.378 444 K HA 0.273 4.593 4.320 0.000 0.000 0.252 444 K C -1.386 174.951 176.600 -0.438 0.000 0.931 444 K CA -0.871 55.268 56.287 -0.246 0.000 0.794 444 K CB 1.733 34.077 32.500 -0.261 0.000 1.181 444 K HN 0.767 nan 8.250 nan 0.000 0.425 445 C N 5.436 124.364 119.300 -0.620 0.000 2.527 445 C HA 0.389 4.849 4.460 0.000 0.000 0.396 445 C C 1.047 175.604 174.990 -0.722 0.000 1.289 445 C CA -0.515 57.831 59.018 -1.120 0.000 2.047 445 C CB -0.835 26.161 27.740 -1.239 0.000 2.568 445 C HN 0.889 nan 8.230 nan 0.000 0.573 446 L N 4.939 125.732 121.223 -0.716 0.000 2.906 446 L HA 0.193 4.533 4.340 0.000 0.000 0.255 446 L C 1.577 178.132 176.870 -0.525 0.000 1.166 446 L CA 0.291 54.831 54.840 -0.500 0.000 0.977 446 L CB -0.288 41.505 42.059 -0.444 0.000 1.313 446 L HN 0.878 nan 8.230 nan 0.000 0.549 447 S N -3.020 112.277 115.700 -0.671 0.000 2.631 447 S HA -0.008 4.462 4.470 0.000 0.000 0.246 447 S C 1.707 176.022 174.600 -0.475 0.000 1.068 447 S CA -0.004 57.717 58.200 -0.799 0.000 0.995 447 S CB -0.149 62.150 63.200 -1.502 0.000 0.944 447 S HN 0.294 nan 8.310 nan 0.000 0.529 448 C N 3.093 122.067 119.300 -0.544 0.000 2.385 448 C HA -0.114 4.346 4.460 0.000 0.000 0.275 448 C C 2.426 177.262 174.990 -0.257 0.000 1.207 448 C CA 1.443 60.111 59.018 -0.583 0.000 1.760 448 C CB -1.077 25.906 27.740 -1.262 0.000 2.051 448 C HN 0.604 nan 8.230 nan 0.000 0.467 449 D N 0.879 121.139 120.400 -0.234 0.000 2.077 449 D HA -0.061 4.579 4.640 0.000 0.000 0.197 449 D C 2.077 178.368 176.300 -0.015 0.000 0.983 449 D CA 0.816 54.760 54.000 -0.093 0.000 0.841 449 D CB -0.870 39.870 40.800 -0.100 0.000 0.992 449 D HN 0.410 nan 8.370 nan 0.000 0.450 450 L N -0.311 120.900 121.223 -0.020 0.000 2.331 450 L HA -0.318 4.022 4.340 0.000 0.000 0.245 450 L C 0.380 177.300 176.870 0.083 0.000 1.126 450 L CA 1.973 56.845 54.840 0.053 0.000 0.834 450 L CB -0.883 41.230 42.059 0.091 0.000 0.982 450 L HN 0.067 nan 8.230 nan 0.000 0.432 451 N N -1.339 117.437 118.700 0.126 0.000 2.726 451 N HA 0.156 4.896 4.740 0.000 0.000 0.253 451 N C -1.942 173.622 175.510 0.090 0.000 1.530 451 N CA -0.703 52.398 53.050 0.085 0.000 0.772 451 N CB 0.953 39.476 38.487 0.060 0.000 1.220 451 N HN 0.127 nan 8.380 nan 0.000 0.508 452 P HA -0.209 nan 4.420 nan 0.000 0.222 452 P C 0.234 177.585 177.300 0.084 0.000 1.142 452 P CA 1.475 64.652 63.100 0.128 0.000 0.788 452 P CB 0.548 32.328 31.700 0.134 0.000 0.767 453 E N -0.051 120.179 120.200 0.051 0.000 2.057 453 E HA -0.016 4.334 4.350 0.000 0.000 0.190 453 E C 2.383 178.988 176.600 0.008 0.000 0.969 453 E CA 0.455 56.872 56.400 0.028 0.000 0.812 453 E CB -1.010 28.700 29.700 0.016 0.000 0.777 453 E HN 0.086 nan 8.360 nan 0.000 0.455 454 R N -0.028 120.467 120.500 -0.009 0.000 2.100 454 R HA 0.160 4.500 4.340 0.000 0.000 0.220 454 R C -0.237 176.017 176.300 -0.076 0.000 1.091 454 R CA 0.794 56.865 56.100 -0.049 0.000 0.986 454 R CB 0.130 30.390 30.300 -0.066 0.000 0.888 454 R HN 0.238 nan 8.270 nan 0.000 0.444 455 c N 0.848 119.406 118.600 -0.071 0.000 2.298 455 c HA 0.446 5.016 4.570 0.000 0.000 0.323 455 c C 0.434 174.478 174.090 -0.077 0.000 1.284 455 c CA -0.687 55.526 56.329 -0.194 0.000 1.577 455 c CB 1.402 43.703 42.510 -0.348 0.000 2.249 455 c HN 0.503 nan 8.230 nan 0.000 0.497 456 Q N 0.135 119.885 119.800 -0.082 0.000 2.040 456 Q HA 0.146 4.486 4.340 0.000 0.000 0.212 456 Q C -0.986 175.065 176.000 0.086 0.000 0.766 456 Q CA 0.117 55.968 55.803 0.079 0.000 0.967 456 Q CB 1.210 30.012 28.738 0.108 0.000 1.202 456 Q HN 0.825 nan 8.270 nan 0.000 0.446 457 Y N 0.620 120.816 120.300 -0.173 0.000 2.526 457 Y HA 0.365 4.916 4.550 0.000 0.000 0.328 457 Y C -1.368 174.410 175.900 -0.204 0.000 0.995 457 Y CA -0.868 57.170 58.100 -0.102 0.000 1.304 457 Y CB 0.641 39.062 38.460 -0.065 0.000 1.096 457 Y HN -0.070 nan 8.280 nan 0.000 0.499 458 Y N 1.985 122.238 120.300 -0.080 0.000 2.419 458 Y HA 0.555 5.105 4.550 0.000 0.000 0.328 458 Y C 0.365 176.253 175.900 -0.020 0.000 1.162 458 Y CA -0.503 57.579 58.100 -0.029 0.000 1.174 458 Y CB 1.961 40.383 38.460 -0.063 0.000 1.228 458 Y HN 0.481 nan 8.280 nan 0.000 0.473 459 S N 1.463 117.311 115.700 0.246 0.000 2.536 459 S HA 0.825 5.295 4.470 0.000 0.000 0.298 459 S C -1.379 173.352 174.600 0.217 0.000 1.083 459 S CA -0.629 57.697 58.200 0.210 0.000 0.995 459 S CB 1.719 65.069 63.200 0.250 0.000 1.058 459 S HN 0.606 nan 8.310 nan 0.000 0.488 460 V N 1.074 121.093 119.914 0.175 0.000 3.181 460 V HA 0.961 5.081 4.120 0.000 0.000 0.314 460 V C -0.910 175.309 176.094 0.207 0.000 1.173 460 V CA -0.119 62.280 62.300 0.164 0.000 1.052 460 V CB 2.237 34.092 31.823 0.054 0.000 1.123 460 V HN 1.359 nan 8.190 nan 0.000 0.454 461 S N 2.094 117.945 115.700 0.251 0.000 2.305 461 S HA 0.393 4.863 4.470 0.000 0.000 0.208 461 S C -1.557 173.334 174.600 0.485 0.000 0.797 461 S CA -0.535 57.871 58.200 0.343 0.000 1.007 461 S CB 0.053 63.456 63.200 0.338 0.000 1.334 461 S HN 0.606 nan 8.310 nan 0.000 0.380 462 L N 3.768 125.127 121.223 0.225 0.000 2.399 462 L HA 0.615 4.955 4.340 0.000 0.000 0.266 462 L C 1.218 177.835 176.870 -0.421 0.000 1.114 462 L CA -0.102 54.724 54.840 -0.024 0.000 0.804 462 L CB 1.296 43.227 42.059 -0.213 0.000 1.146 462 L HN 0.745 nan 8.230 nan 0.000 0.451 463 S N 0.844 115.914 115.700 -1.051 0.000 2.606 463 S HA 0.147 4.617 4.470 0.000 0.000 0.257 463 S C 1.106 175.419 174.600 -0.478 0.000 1.327 463 S CA -0.578 56.731 58.200 -1.486 0.000 0.984 463 S CB 0.424 62.793 63.200 -1.386 0.000 0.941 463 S HN 0.480 nan 8.310 nan 0.000 0.576 464 K N 0.696 120.962 120.400 -0.224 0.000 2.242 464 K HA -0.146 4.174 4.320 0.000 0.000 0.206 464 K C 0.664 177.238 176.600 -0.043 0.000 1.045 464 K CA 1.794 58.057 56.287 -0.040 0.000 0.930 464 K CB -0.440 32.080 32.500 0.034 0.000 0.726 464 K HN 0.813 nan 8.250 nan 0.000 0.462 465 E N -1.779 118.364 120.200 -0.095 0.000 3.067 465 E HA 0.282 4.632 4.350 0.000 0.000 0.188 465 E C -0.707 175.837 176.600 -0.094 0.000 0.964 465 E CA 0.264 56.631 56.400 -0.055 0.000 1.286 465 E CB 0.835 30.527 29.700 -0.013 0.000 1.051 465 E HN 0.189 nan 8.360 nan 0.000 0.465 466 A N 1.407 124.115 122.820 -0.187 0.000 2.822 466 A HA -0.316 4.005 4.320 0.000 0.000 0.287 466 A C 1.338 178.827 177.584 -0.159 0.000 1.479 466 A CA 1.626 53.516 52.037 -0.245 0.000 0.779 466 A CB -1.743 17.065 19.000 -0.320 0.000 1.022 466 A HN 0.327 nan 8.150 nan 0.000 0.532 467 K N -1.745 118.540 120.400 -0.192 0.000 2.137 467 K HA 0.169 4.489 4.320 0.000 0.000 0.202 467 K C 0.206 176.465 176.600 -0.569 0.000 1.052 467 K CA 1.216 57.320 56.287 -0.305 0.000 0.961 467 K CB 0.099 32.452 32.500 -0.246 0.000 0.741 467 K HN 0.665 nan 8.250 nan 0.000 0.452 468 Y N -0.971 119.218 120.300 -0.184 0.000 2.633 468 Y HA 0.341 4.891 4.550 0.000 0.000 0.339 468 Y C -1.085 174.786 175.900 -0.048 0.000 1.045 468 Y CA -1.269 56.753 58.100 -0.130 0.000 1.098 468 Y CB 1.725 40.120 38.460 -0.108 0.000 1.296 468 Y HN -0.005 nan 8.280 nan 0.000 0.494 469 Y N -0.731 119.708 120.300 0.231 0.000 2.390 469 Y HA 0.389 4.939 4.550 0.000 0.000 0.324 469 Y C -1.383 174.719 175.900 0.338 0.000 1.151 469 Y CA -1.396 56.830 58.100 0.209 0.000 1.053 469 Y CB 1.047 39.504 38.460 -0.005 0.000 1.277 469 Y HN 0.598 nan 8.280 nan 0.000 0.432 470 Q N 4.777 124.917 119.800 0.566 0.000 2.230 470 Q HA 0.588 4.928 4.340 0.000 0.000 0.253 470 Q C -1.721 174.508 176.000 0.383 0.000 0.919 470 Q CA -0.669 55.375 55.803 0.402 0.000 0.908 470 Q CB 1.598 30.491 28.738 0.259 0.000 1.245 470 Q HN 1.011 nan 8.270 nan 0.000 0.437 471 L N 2.013 123.440 121.223 0.340 0.000 2.334 471 L HA 0.583 4.923 4.340 0.000 0.000 0.276 471 L C 0.293 177.350 176.870 0.311 0.000 1.014 471 L CA -0.927 54.095 54.840 0.303 0.000 0.815 471 L CB 2.036 44.221 42.059 0.211 0.000 1.268 471 L HN 0.820 nan 8.230 nan 0.000 0.428 472 G N 1.254 110.230 108.800 0.293 0.000 2.716 472 G HA2 0.292 4.252 3.960 0.000 0.000 0.333 472 G HA3 0.292 4.252 3.960 0.000 0.000 0.333 472 G C -0.581 174.260 174.900 -0.099 0.000 1.168 472 G CA -0.283 44.868 45.100 0.086 0.000 1.064 472 G HN 0.680 nan 8.290 nan 0.000 0.479 473 c N 5.123 123.489 118.600 -0.390 0.000 2.416 473 c HA 0.490 5.060 4.570 0.000 0.000 0.355 473 c C 1.256 175.128 174.090 -0.364 0.000 1.211 473 c CA -0.826 55.196 56.329 -0.511 0.000 1.699 473 c CB -0.318 41.919 42.510 -0.455 0.000 2.310 473 c HN 0.716 nan 8.230 nan 0.000 0.539 474 R N 3.849 124.248 120.500 -0.168 0.000 2.312 474 R HA 0.206 4.546 4.340 0.000 0.000 0.205 474 R C 1.509 177.806 176.300 -0.005 0.000 0.904 474 R CA 0.447 56.547 56.100 -0.000 0.000 1.052 474 R CB -0.995 29.400 30.300 0.159 0.000 1.014 474 R HN 0.924 nan 8.270 nan 0.000 0.503 475 G N 2.698 111.443 108.800 -0.092 0.000 3.365 475 G HA2 -0.145 3.815 3.960 0.000 0.000 0.238 475 G HA3 -0.145 3.815 3.960 0.000 0.000 0.238 475 G C -1.479 173.415 174.900 -0.010 0.000 1.264 475 G CA -0.606 44.453 45.100 -0.068 0.000 0.876 475 G HN 0.027 nan 8.290 nan 0.000 0.610 476 P HA -0.161 nan 4.420 nan 0.000 0.219 476 P C 1.535 178.854 177.300 0.032 0.000 1.161 476 P CA 1.923 65.051 63.100 0.048 0.000 0.909 476 P CB -0.184 31.535 31.700 0.032 0.000 0.793 477 G N -1.267 107.490 108.800 -0.073 0.000 2.588 477 G HA2 0.307 4.267 3.960 0.000 0.000 0.278 477 G HA3 0.307 4.267 3.960 0.000 0.000 0.278 477 G C -0.466 174.177 174.900 -0.428 0.000 1.307 477 G CA -0.651 44.331 45.100 -0.197 0.000 1.016 477 G HN 0.068 nan 8.290 nan 0.000 0.503 478 L N 1.991 122.865 121.223 -0.582 0.000 2.525 478 L HA 0.133 4.473 4.340 0.000 0.000 0.278 478 L C -1.487 175.158 176.870 -0.376 0.000 1.218 478 L CA -1.175 53.221 54.840 -0.739 0.000 0.878 478 L CB 0.284 42.050 42.059 -0.487 0.000 1.127 478 L HN 0.341 nan 8.230 nan 0.000 0.492 479 P HA -0.045 nan 4.420 nan 0.000 0.261 479 P C -0.848 176.315 177.300 -0.228 0.000 1.173 479 P CA -0.042 62.951 63.100 -0.178 0.000 0.760 479 P CB 0.928 32.647 31.700 0.031 0.000 0.783 480 L N 5.764 126.754 121.223 -0.388 0.000 2.349 480 L HA 0.454 4.794 4.340 0.000 0.000 0.278 480 L C -1.362 175.237 176.870 -0.452 0.000 0.996 480 L CA -0.921 53.747 54.840 -0.287 0.000 0.825 480 L CB 1.020 42.987 42.059 -0.154 0.000 1.243 480 L HN 0.190 nan 8.230 nan 0.000 0.412 481 Y N 2.958 123.274 120.300 0.027 0.000 2.328 481 Y HA 0.692 5.242 4.550 0.000 0.000 0.337 481 Y C 0.345 176.228 175.900 -0.028 0.000 0.966 481 Y CA -0.532 57.587 58.100 0.031 0.000 1.136 481 Y CB 1.957 40.434 38.460 0.028 0.000 1.170 481 Y HN 0.654 nan 8.280 nan 0.000 0.470 482 T N 2.307 116.957 114.554 0.161 0.000 2.912 482 T HA 0.706 5.056 4.350 0.000 0.000 0.299 482 T C -0.999 173.822 174.700 0.202 0.000 1.052 482 T CA -0.980 61.183 62.100 0.104 0.000 0.996 482 T CB 1.320 70.275 68.868 0.144 0.000 1.070 482 T HN 0.678 nan 8.240 nan 0.000 0.465 483 L N 1.116 122.369 121.223 0.050 0.000 2.331 483 L HA 0.930 5.270 4.340 0.000 0.000 0.275 483 L C -1.408 175.453 176.870 -0.016 0.000 1.022 483 L CA -0.935 54.008 54.840 0.171 0.000 0.812 483 L CB 1.331 43.479 42.059 0.149 0.000 1.257 483 L HN 0.782 nan 8.230 nan 0.000 0.435 484 H N 1.024 119.917 119.070 -0.295 0.000 2.690 484 H HA 0.467 5.023 4.556 0.000 0.000 0.368 484 H C -0.852 174.233 175.328 -0.405 0.000 1.150 484 H CA -0.851 54.915 56.048 -0.470 0.000 1.174 484 H CB 1.450 30.672 29.762 -0.901 0.000 1.684 484 H HN 0.684 nan 8.280 nan 0.000 0.538 485 R N 1.003 121.436 120.500 -0.113 0.000 2.288 485 R HA 0.228 4.568 4.340 0.000 0.000 0.330 485 R C 0.668 176.862 176.300 -0.177 0.000 1.069 485 R CA -0.011 55.972 56.100 -0.194 0.000 0.941 485 R CB 0.730 30.951 30.300 -0.132 0.000 0.998 485 R HN 0.582 nan 8.270 nan 0.000 0.452 486 S N 2.866 118.470 115.700 -0.160 0.000 2.407 486 S HA -0.200 4.270 4.470 0.000 0.000 0.235 486 S C 1.056 175.744 174.600 0.148 0.000 1.036 486 S CA 2.175 60.478 58.200 0.170 0.000 1.013 486 S CB -0.251 63.038 63.200 0.147 0.000 0.820 486 S HN 0.869 nan 8.310 nan 0.000 0.476 487 T N 1.566 116.127 114.554 0.013 0.000 2.580 487 T HA -0.185 4.165 4.350 0.000 0.000 0.265 487 T C 1.289 176.019 174.700 0.050 0.000 1.063 487 T CA 1.865 63.986 62.100 0.034 0.000 1.170 487 T CB -0.621 68.235 68.868 -0.020 0.000 0.863 487 T HN 0.850 nan 8.240 nan 0.000 0.418 488 D N -0.414 120.001 120.400 0.025 0.000 2.433 488 D HA 0.271 4.911 4.640 0.000 0.000 0.211 488 D C 0.695 177.017 176.300 0.036 0.000 1.114 488 D CA -0.150 53.863 54.000 0.021 0.000 0.837 488 D CB -0.057 40.746 40.800 0.005 0.000 0.984 488 D HN 0.249 nan 8.370 nan 0.000 0.505 489 Q N -0.653 119.190 119.800 0.072 0.000 2.324 489 Q HA -0.259 4.081 4.340 0.000 0.000 0.200 489 Q C -0.042 176.008 176.000 0.082 0.000 0.645 489 Q CA 1.341 57.218 55.803 0.124 0.000 1.377 489 Q CB -1.772 27.044 28.738 0.130 0.000 1.486 489 Q HN 0.521 nan 8.270 nan 0.000 0.796 490 K N 2.042 122.446 120.400 0.007 0.000 2.440 490 K HA -0.089 4.231 4.320 0.000 0.000 0.275 490 K C -0.221 176.300 176.600 -0.132 0.000 1.082 490 K CA 0.489 56.753 56.287 -0.038 0.000 1.135 490 K CB 0.252 32.730 32.500 -0.036 0.000 0.864 490 K HN 0.254 nan 8.250 nan 0.000 0.479 491 E N 5.998 126.064 120.200 -0.223 0.000 2.081 491 E HA -0.043 4.307 4.350 0.000 0.000 0.270 491 E C 0.834 177.264 176.600 -0.283 0.000 1.180 491 E CA -0.255 55.832 56.400 -0.521 0.000 0.926 491 E CB 0.318 29.739 29.700 -0.466 0.000 1.035 491 E HN 0.647 nan 8.360 nan 0.000 0.418 492 L N 4.593 125.675 121.223 -0.235 0.000 2.012 492 L HA -0.112 4.228 4.340 0.000 0.000 0.210 492 L C 1.342 178.147 176.870 -0.109 0.000 1.073 492 L CA 1.333 56.108 54.840 -0.109 0.000 0.748 492 L CB -0.766 41.270 42.059 -0.039 0.000 0.891 492 L HN 0.611 nan 8.230 nan 0.000 0.431 493 R N -2.062 118.351 120.500 -0.145 0.000 2.752 493 R HA 0.510 4.850 4.340 0.000 0.000 0.277 493 R C -1.602 174.613 176.300 -0.141 0.000 1.024 493 R CA -0.946 55.083 56.100 -0.118 0.000 0.866 493 R CB 1.658 31.913 30.300 -0.075 0.000 1.278 493 R HN -0.273 nan 8.270 nan 0.000 0.473 494 V N 2.504 122.349 119.914 -0.115 0.000 2.350 494 V HA 0.207 4.327 4.120 0.000 0.000 0.276 494 V C 1.177 177.165 176.094 -0.177 0.000 1.028 494 V CA -0.470 61.763 62.300 -0.110 0.000 0.860 494 V CB 1.157 32.940 31.823 -0.067 0.000 0.990 494 V HN 0.625 nan 8.190 nan 0.000 0.453 495 L N 2.949 124.006 121.223 -0.277 0.000 2.131 495 L HA 0.208 4.549 4.340 0.000 0.000 0.206 495 L C 0.755 177.378 176.870 -0.412 0.000 1.087 495 L CA 0.929 55.392 54.840 -0.629 0.000 0.767 495 L CB 0.162 41.565 42.059 -1.093 0.000 0.917 495 L HN 0.670 nan 8.230 nan 0.000 0.441 496 E N 0.411 120.551 120.200 -0.100 0.000 2.481 496 E HA 0.173 4.523 4.350 0.000 0.000 0.301 496 E C -2.022 174.652 176.600 0.123 0.000 0.948 496 E CA -0.708 55.736 56.400 0.074 0.000 0.804 496 E CB 1.078 30.902 29.700 0.207 0.000 1.265 496 E HN 0.142 nan 8.360 nan 0.000 0.406 497 D N 2.773 123.213 120.400 0.066 0.000 2.696 497 D HA 0.242 4.882 4.640 0.000 0.000 0.251 497 D C -0.763 175.557 176.300 0.033 0.000 1.188 497 D CA -0.726 53.289 54.000 0.026 0.000 0.876 497 D CB 0.890 41.687 40.800 -0.004 0.000 1.334 497 D HN 0.374 nan 8.370 nan 0.000 0.540 498 N N 0.859 119.570 118.700 0.018 0.000 3.027 498 N HA -0.004 4.736 4.740 0.000 0.000 0.309 498 N C 1.336 176.847 175.510 0.002 0.000 1.222 498 N CA 0.033 53.097 53.050 0.024 0.000 1.187 498 N CB 0.312 38.808 38.487 0.014 0.000 1.458 498 N HN 0.447 nan 8.380 nan 0.000 0.535 499 S N -0.302 115.407 115.700 0.015 0.000 2.371 499 S HA -0.118 4.352 4.470 0.000 0.000 0.224 499 S C 2.117 176.734 174.600 0.028 0.000 1.029 499 S CA 0.511 58.718 58.200 0.010 0.000 0.978 499 S CB -0.251 62.957 63.200 0.014 0.000 0.833 499 S HN 0.444 nan 8.310 nan 0.000 0.466 500 A N 2.668 125.517 122.820 0.049 0.000 1.859 500 A HA -0.039 4.281 4.320 0.000 0.000 0.217 500 A C 2.282 179.914 177.584 0.081 0.000 1.198 500 A CA 1.867 53.944 52.037 0.067 0.000 0.629 500 A CB -1.219 17.830 19.000 0.081 0.000 0.830 500 A HN 0.553 nan 8.150 nan 0.000 0.446 501 L N 0.470 121.744 121.223 0.086 0.000 1.990 501 L HA -0.226 4.114 4.340 0.000 0.000 0.213 501 L C 2.090 178.982 176.870 0.036 0.000 1.072 501 L CA 2.941 57.841 54.840 0.100 0.000 0.755 501 L CB -0.848 41.269 42.059 0.097 0.000 0.889 501 L HN 0.567 nan 8.230 nan 0.000 0.432 502 D N -0.353 120.043 120.400 -0.005 0.000 2.133 502 D HA -0.291 4.349 4.640 0.000 0.000 0.195 502 D C 2.116 178.405 176.300 -0.018 0.000 0.997 502 D CA 2.276 56.253 54.000 -0.039 0.000 0.840 502 D CB 0.280 41.053 40.800 -0.045 0.000 0.947 502 D HN 0.497 nan 8.370 nan 0.000 0.452 503 K N 0.805 121.212 120.400 0.013 0.000 2.063 503 K HA -0.119 4.201 4.320 0.000 0.000 0.208 503 K C 2.341 178.964 176.600 0.038 0.000 1.048 503 K CA 1.728 58.032 56.287 0.027 0.000 0.928 503 K CB -0.879 31.647 32.500 0.043 0.000 0.713 503 K HN 0.290 nan 8.250 nan 0.000 0.442 504 M N 0.147 119.785 119.600 0.064 0.000 2.077 504 M HA 0.044 4.524 4.480 0.000 0.000 0.261 504 M C 2.458 178.726 176.300 -0.054 0.000 1.070 504 M CA 1.340 56.703 55.300 0.105 0.000 1.125 504 M CB -0.472 32.296 32.600 0.280 0.000 1.339 504 M HN 0.208 nan 8.290 nan 0.000 0.409 505 L N 0.362 121.476 121.223 -0.181 0.000 2.447 505 L HA -0.211 4.130 4.340 0.000 0.000 0.225 505 L C 2.603 179.391 176.870 -0.136 0.000 1.148 505 L CA 0.571 55.238 54.840 -0.287 0.000 0.808 505 L CB -0.807 41.110 42.059 -0.236 0.000 0.928 505 L HN 0.418 nan 8.230 nan 0.000 0.448 506 Q N 0.211 119.973 119.800 -0.063 0.000 2.096 506 Q HA -0.174 4.166 4.340 0.000 0.000 0.204 506 Q C 1.047 177.046 176.000 -0.001 0.000 0.982 506 Q CA 1.330 57.120 55.803 -0.022 0.000 0.850 506 Q CB -0.220 28.519 28.738 0.001 0.000 0.901 506 Q HN 0.595 nan 8.270 nan 0.000 0.422 507 D N 0.346 120.755 120.400 0.015 0.000 2.370 507 D HA 0.104 4.744 4.640 0.000 0.000 0.230 507 D C -0.192 176.140 176.300 0.055 0.000 1.143 507 D CA 0.116 54.146 54.000 0.049 0.000 0.834 507 D CB 0.622 41.471 40.800 0.083 0.000 0.944 507 D HN -0.054 nan 8.370 nan 0.000 0.504 508 V N 0.427 120.343 119.914 0.003 0.000 2.925 508 V HA 0.172 4.292 4.120 0.000 0.000 0.311 508 V C -0.047 176.046 176.094 -0.002 0.000 1.104 508 V CA -0.998 61.311 62.300 0.015 0.000 0.954 508 V CB 2.684 34.473 31.823 -0.055 0.000 1.022 508 V HN -0.141 nan 8.190 nan 0.000 0.427 509 Q N 3.569 123.385 119.800 0.028 0.000 2.678 509 Q HA 0.365 4.705 4.340 0.000 0.000 0.222 509 Q C -0.499 175.467 176.000 -0.057 0.000 1.281 509 Q CA -0.295 55.494 55.803 -0.024 0.000 0.994 509 Q CB 0.470 29.200 28.738 -0.015 0.000 1.452 509 Q HN 0.535 nan 8.270 nan 0.000 0.570 510 M N 3.422 122.973 119.600 -0.081 0.000 2.238 510 M HA 0.248 4.728 4.480 0.000 0.000 0.347 510 M C -1.846 174.387 176.300 -0.112 0.000 1.173 510 M CA -1.931 53.307 55.300 -0.103 0.000 1.147 510 M CB -0.219 32.316 32.600 -0.108 0.000 1.547 510 M HN 0.274 nan 8.290 nan 0.000 0.455 511 P HA 0.258 nan 4.420 nan 0.000 0.279 511 P C -0.630 176.605 177.300 -0.108 0.000 1.282 511 P CA -0.319 62.705 63.100 -0.125 0.000 0.788 511 P CB 0.593 32.212 31.700 -0.135 0.000 1.139 512 S N -1.184 114.443 115.700 -0.122 0.000 2.776 512 S HA 0.642 5.112 4.470 0.000 0.000 0.306 512 S C -0.491 174.046 174.600 -0.106 0.000 1.114 512 S CA -0.703 57.441 58.200 -0.093 0.000 0.973 512 S CB 1.369 64.517 63.200 -0.088 0.000 1.250 512 S HN 0.559 nan 8.310 nan 0.000 0.549 513 K N 0.550 120.905 120.400 -0.075 0.000 2.731 513 K HA 0.264 4.584 4.320 0.000 0.000 0.257 513 K C -1.566 175.009 176.600 -0.043 0.000 1.032 513 K CA -0.287 55.962 56.287 -0.064 0.000 0.983 513 K CB 1.197 33.680 32.500 -0.029 0.000 1.248 513 K HN 0.666 nan 8.250 nan 0.000 0.484 514 K N 4.290 124.652 120.400 -0.063 0.000 2.234 514 K HA 0.234 4.554 4.320 0.000 0.000 0.282 514 K C -1.080 175.492 176.600 -0.047 0.000 1.039 514 K CA -0.618 55.643 56.287 -0.043 0.000 0.928 514 K CB 0.737 33.213 32.500 -0.040 0.000 1.039 514 K HN 0.461 nan 8.250 nan 0.000 0.470 515 L N 5.011 126.222 121.223 -0.020 0.000 2.401 515 L HA 0.397 4.737 4.340 0.000 0.000 0.263 515 L C -1.006 175.891 176.870 0.046 0.000 1.004 515 L CA 0.051 54.913 54.840 0.037 0.000 0.881 515 L CB 0.829 42.983 42.059 0.159 0.000 1.219 515 L HN 0.718 nan 8.230 nan 0.000 0.441 516 D N 2.695 122.878 120.400 -0.362 0.000 2.846 516 D HA 0.525 5.165 4.640 0.000 0.000 0.273 516 D C -1.477 174.377 176.300 -0.744 0.000 1.145 516 D CA -0.126 53.567 54.000 -0.512 0.000 1.091 516 D CB 2.237 42.756 40.800 -0.469 0.000 1.364 516 D HN 0.236 nan 8.370 nan 0.000 0.613 517 F N -0.008 119.499 119.950 -0.738 0.000 2.591 517 F HA 0.566 5.093 4.527 0.000 0.000 0.309 517 F C -1.476 174.352 175.800 0.046 0.000 1.098 517 F CA -1.009 56.687 58.000 -0.508 0.000 0.937 517 F CB 1.068 39.260 39.000 -1.347 0.000 1.250 517 F HN 0.060 nan 8.300 nan 0.000 0.447 518 I N 2.952 123.765 120.570 0.405 0.000 2.822 518 I HA 0.693 4.864 4.170 0.000 0.000 0.312 518 I C -1.205 175.143 176.117 0.384 0.000 1.011 518 I CA -1.268 60.184 61.300 0.254 0.000 1.105 518 I CB 2.147 40.252 38.000 0.174 0.000 1.291 518 I HN 0.731 nan 8.210 nan 0.000 0.474 519 V N 7.099 127.175 119.914 0.270 0.000 2.531 519 V HA 0.570 4.690 4.120 0.000 0.000 0.301 519 V C -1.236 175.014 176.094 0.259 0.000 1.034 519 V CA -0.410 62.075 62.300 0.309 0.000 0.865 519 V CB 1.723 33.698 31.823 0.254 0.000 0.995 519 V HN 0.557 nan 8.190 nan 0.000 0.424 520 L N 5.493 126.943 121.223 0.379 0.000 2.354 520 L HA 0.642 4.982 4.340 0.000 0.000 0.269 520 L C 0.524 177.563 176.870 0.281 0.000 1.005 520 L CA -1.125 53.887 54.840 0.286 0.000 0.819 520 L CB 1.952 44.170 42.059 0.265 0.000 1.311 520 L HN 0.680 nan 8.230 nan 0.000 0.423 521 N N 2.386 121.187 118.700 0.169 0.000 2.696 521 N HA -0.234 4.506 4.740 0.000 0.000 0.254 521 N C -0.215 175.374 175.510 0.132 0.000 0.988 521 N CA 1.417 54.549 53.050 0.136 0.000 0.775 521 N CB -0.787 37.786 38.487 0.143 0.000 0.933 521 N HN 0.825 nan 8.380 nan 0.000 0.539 522 E N -3.685 116.586 120.200 0.119 0.000 2.637 522 E HA -0.214 4.136 4.350 0.000 0.000 0.265 522 E C -0.601 176.038 176.600 0.065 0.000 1.073 522 E CA 1.041 57.493 56.400 0.087 0.000 0.778 522 E CB -1.949 27.787 29.700 0.060 0.000 1.362 522 E HN 0.438 nan 8.360 nan 0.000 0.413 523 T N 0.219 114.822 114.554 0.081 0.000 2.900 523 T HA 0.412 4.762 4.350 0.000 0.000 0.295 523 T C -0.017 174.581 174.700 -0.170 0.000 1.044 523 T CA -0.840 61.204 62.100 -0.093 0.000 0.995 523 T CB 1.804 70.545 68.868 -0.211 0.000 1.072 523 T HN 0.042 nan 8.240 nan 0.000 0.473 524 R N 1.456 121.791 120.500 -0.274 0.000 2.340 524 R HA 0.432 4.772 4.340 0.000 0.000 0.300 524 R C -1.114 174.963 176.300 -0.372 0.000 1.069 524 R CA -0.043 55.938 56.100 -0.199 0.000 0.984 524 R CB 0.461 30.557 30.300 -0.340 0.000 1.003 524 R HN 0.505 nan 8.270 nan 0.000 0.459 525 F N 2.360 122.468 119.950 0.263 0.000 2.577 525 F HA 0.237 4.764 4.527 0.000 0.000 0.344 525 F C -0.524 175.492 175.800 0.360 0.000 1.145 525 F CA -0.832 57.324 58.000 0.260 0.000 0.996 525 F CB 0.983 40.168 39.000 0.309 0.000 1.248 525 F HN 0.409 nan 8.300 nan 0.000 0.447 526 W N 3.926 125.401 121.300 0.292 0.000 2.184 526 W HA 0.410 5.070 4.660 0.000 0.000 0.338 526 W C -0.332 176.430 176.519 0.404 0.000 1.257 526 W CA -0.335 57.207 57.345 0.328 0.000 1.243 526 W CB 0.368 29.931 29.460 0.172 0.000 1.122 526 W HN 0.444 nan 8.180 nan 0.000 0.585 527 Y N -0.546 120.105 120.300 0.585 0.000 2.655 527 Y HA 0.656 5.206 4.550 0.000 0.000 0.336 527 Y C -1.059 175.084 175.900 0.404 0.000 1.154 527 Y CA -1.876 56.561 58.100 0.562 0.000 1.055 527 Y CB 1.047 39.983 38.460 0.794 0.000 1.295 527 Y HN 0.564 nan 8.280 nan 0.000 0.465 528 Q N 1.861 121.925 119.800 0.439 0.000 2.456 528 Q HA 0.795 5.136 4.340 0.000 0.000 0.283 528 Q C -1.816 174.322 176.000 0.230 0.000 1.084 528 Q CA -1.200 54.724 55.803 0.202 0.000 0.801 528 Q CB 3.443 32.272 28.738 0.152 0.000 1.434 528 Q HN 0.839 nan 8.270 nan 0.000 0.419 529 M N 1.947 121.599 119.600 0.087 0.000 2.326 529 M HA 0.426 4.906 4.480 0.000 0.000 0.292 529 M C -1.343 174.895 176.300 -0.103 0.000 1.081 529 M CA -0.894 54.389 55.300 -0.029 0.000 0.919 529 M CB 2.338 34.892 32.600 -0.076 0.000 1.634 529 M HN 0.603 nan 8.290 nan 0.000 0.451 530 I N 5.093 125.589 120.570 -0.124 0.000 2.316 530 I HA 0.310 4.480 4.170 0.000 0.000 0.286 530 I C -0.342 175.629 176.117 -0.245 0.000 1.107 530 I CA -0.335 60.876 61.300 -0.149 0.000 1.219 530 I CB -0.323 37.615 38.000 -0.102 0.000 1.455 530 I HN 0.632 nan 8.210 nan 0.000 0.498 531 L N 8.017 129.032 121.223 -0.347 0.000 2.367 531 L HA 0.312 4.652 4.340 0.000 0.000 0.275 531 L C -1.812 174.853 176.870 -0.341 0.000 1.129 531 L CA -1.571 52.937 54.840 -0.554 0.000 0.839 531 L CB 0.244 41.786 42.059 -0.862 0.000 1.133 531 L HN 0.261 nan 8.230 nan 0.000 0.453 532 P HA 0.138 nan 4.420 nan 0.000 0.272 532 P C -2.361 174.888 177.300 -0.085 0.000 1.223 532 P CA -1.116 61.905 63.100 -0.131 0.000 0.784 532 P CB 0.230 31.910 31.700 -0.033 0.000 0.923 533 P HA -0.245 nan 4.420 nan 0.000 0.236 533 P C 0.849 178.025 177.300 -0.206 0.000 0.954 533 P CA 1.512 64.452 63.100 -0.267 0.000 1.063 533 P CB -0.767 30.685 31.700 -0.413 0.000 0.680 534 H N -1.195 117.921 119.070 0.076 0.000 4.607 534 H HA -0.029 4.527 4.556 0.000 0.000 0.210 534 H C 0.440 175.826 175.328 0.097 0.000 0.880 534 H CA -0.121 55.967 56.048 0.067 0.000 1.259 534 H CB -2.088 27.699 29.762 0.042 0.000 1.349 534 H HN 0.130 nan 8.280 nan 0.000 0.886 535 F N 3.007 122.950 119.950 -0.011 0.000 2.512 535 F HA -0.101 4.426 4.527 0.000 0.000 0.406 535 F C 0.316 176.105 175.800 -0.018 0.000 0.990 535 F CA -0.561 57.391 58.000 -0.081 0.000 1.137 535 F CB 0.208 39.028 39.000 -0.300 0.000 0.960 535 F HN 0.130 nan 8.300 nan 0.000 0.533 536 D N 5.554 125.659 120.400 -0.491 0.000 2.427 536 D HA 0.137 4.777 4.640 0.000 0.000 0.226 536 D C 0.899 176.726 176.300 -0.787 0.000 1.076 536 D CA -0.508 53.183 54.000 -0.516 0.000 0.849 536 D CB 1.200 41.904 40.800 -0.161 0.000 1.052 536 D HN 0.636 nan 8.370 nan 0.000 0.515 537 K N 1.866 121.669 120.400 -0.995 0.000 2.444 537 K HA -0.198 4.122 4.320 0.000 0.000 0.200 537 K C 1.483 177.991 176.600 -0.153 0.000 1.045 537 K CA 1.663 57.541 56.287 -0.682 0.000 0.934 537 K CB 0.130 32.401 32.500 -0.383 0.000 0.756 537 K HN 0.460 nan 8.250 nan 0.000 0.477 538 S N -0.709 114.912 115.700 -0.132 0.000 2.456 538 S HA 0.049 4.519 4.470 0.000 0.000 0.224 538 S C 0.676 175.283 174.600 0.012 0.000 1.035 538 S CA -0.163 58.022 58.200 -0.024 0.000 0.940 538 S CB 0.123 63.294 63.200 -0.048 0.000 0.799 538 S HN 0.110 nan 8.310 nan 0.000 0.508 539 K N 1.121 121.513 120.400 -0.015 0.000 2.136 539 K HA 0.300 4.620 4.320 0.000 0.000 0.237 539 K C -0.345 176.287 176.600 0.052 0.000 1.048 539 K CA 0.057 56.306 56.287 -0.062 0.000 0.880 539 K CB 0.279 32.638 32.500 -0.236 0.000 1.105 539 K HN 0.161 nan 8.250 nan 0.000 0.507 540 K N 1.646 121.988 120.400 -0.097 0.000 2.413 540 K HA 0.278 4.598 4.320 0.000 0.000 0.257 540 K C -1.336 175.205 176.600 -0.098 0.000 0.946 540 K CA -0.556 55.757 56.287 0.043 0.000 0.823 540 K CB 1.190 33.689 32.500 -0.002 0.000 1.109 540 K HN 0.349 nan 8.250 nan 0.000 0.427 541 Y N 1.879 122.222 120.300 0.072 0.000 2.567 541 Y HA 0.384 4.934 4.550 0.000 0.000 0.333 541 Y C -2.095 173.736 175.900 -0.114 0.000 1.106 541 Y CA -2.852 55.247 58.100 -0.001 0.000 1.157 541 Y CB 0.639 39.147 38.460 0.079 0.000 1.277 541 Y HN 0.436 nan 8.280 nan 0.000 0.490 542 P HA 0.223 nan 4.420 nan 0.000 0.278 542 P C -1.184 175.961 177.300 -0.258 0.000 1.238 542 P CA -0.226 62.611 63.100 -0.438 0.000 0.794 542 P CB 1.804 32.886 31.700 -1.030 0.000 0.955 543 L N 3.711 124.828 121.223 -0.177 0.000 2.334 543 L HA 0.603 4.943 4.340 0.000 0.000 0.276 543 L C -1.197 175.804 176.870 0.220 0.000 1.014 543 L CA -0.894 53.952 54.840 0.009 0.000 0.815 543 L CB 1.539 43.598 42.059 -0.000 0.000 1.268 543 L HN 0.184 nan 8.230 nan 0.000 0.428 544 L N 5.856 127.222 121.223 0.238 0.000 2.372 544 L HA 0.555 4.895 4.340 0.000 0.000 0.273 544 L C -1.091 175.991 176.870 0.354 0.000 0.989 544 L CA -0.267 54.791 54.840 0.364 0.000 0.841 544 L CB 1.045 43.292 42.059 0.312 0.000 1.225 544 L HN 0.423 nan 8.230 nan 0.000 0.414 545 I N 3.658 124.492 120.570 0.440 0.000 2.529 545 I HA 0.240 4.410 4.170 0.000 0.000 0.284 545 I C 0.155 176.514 176.117 0.403 0.000 1.082 545 I CA 0.076 61.624 61.300 0.413 0.000 1.406 545 I CB 1.077 39.358 38.000 0.468 0.000 1.405 545 I HN 0.624 nan 8.210 nan 0.000 0.548 546 D N 5.856 126.452 120.400 0.326 0.000 2.192 546 D HA 0.598 5.238 4.640 0.000 0.000 0.246 546 D C -1.088 175.294 176.300 0.136 0.000 1.042 546 D CA -0.180 53.948 54.000 0.212 0.000 0.847 546 D CB 1.976 42.943 40.800 0.279 0.000 1.186 546 D HN 0.206 nan 8.370 nan 0.000 0.461 547 V N 3.030 122.939 119.914 -0.007 0.000 2.971 547 V HA 0.399 4.519 4.120 0.000 0.000 0.309 547 V C -0.540 175.665 176.094 0.184 0.000 1.130 547 V CA -0.836 61.534 62.300 0.117 0.000 0.964 547 V CB 1.647 33.556 31.823 0.144 0.000 1.029 547 V HN 0.657 nan 8.190 nan 0.000 0.427 548 Y N 2.465 122.837 120.300 0.120 0.000 3.196 548 Y HA 0.619 5.169 4.550 0.000 0.000 0.151 548 Y C 1.438 177.468 175.900 0.217 0.000 0.881 548 Y CA 0.994 59.194 58.100 0.166 0.000 1.879 548 Y CB 0.001 38.532 38.460 0.118 0.000 1.346 548 Y HN 1.553 nan 8.280 nan 0.000 0.308 549 A N 1.222 124.005 122.820 -0.062 0.000 2.860 549 A HA -0.081 4.239 4.320 0.000 0.000 0.267 549 A C 0.796 178.104 177.584 -0.461 0.000 1.421 549 A CA 1.204 53.137 52.037 -0.173 0.000 0.831 549 A CB -2.334 16.739 19.000 0.122 0.000 1.041 549 A HN 1.113 nan 8.150 nan 0.000 0.623 550 G N -1.248 106.857 108.800 -1.157 0.000 2.502 550 G HA2 0.577 4.537 3.960 0.000 0.000 0.305 550 G HA3 0.577 4.537 3.960 0.000 0.000 0.305 550 G C -2.533 171.816 174.900 -0.917 0.000 1.190 550 G CA -1.500 42.712 45.100 -1.480 0.000 0.933 550 G HN 0.215 nan 8.290 nan 0.000 0.503 551 P HA 0.045 nan 4.420 nan 0.000 0.260 551 P C 0.533 177.572 177.300 -0.435 0.000 1.172 551 P CA 0.358 63.042 63.100 -0.693 0.000 0.760 551 P CB 0.502 31.312 31.700 -1.482 0.000 0.773 552 C N 3.045 122.179 119.300 -0.277 0.000 4.454 552 C HA -0.133 4.327 4.460 0.000 0.000 0.298 552 C C 0.750 175.692 174.990 -0.080 0.000 1.384 552 C CA 0.965 59.848 59.018 -0.225 0.000 2.002 552 C CB -2.749 24.823 27.740 -0.281 0.000 1.249 552 C HN 0.757 nan 8.230 nan 0.000 0.783 553 S N 0.062 115.632 115.700 -0.217 0.000 2.687 553 S HA 0.684 5.154 4.470 0.000 0.000 0.283 553 S C -0.692 173.915 174.600 0.011 0.000 1.170 553 S CA -0.209 57.877 58.200 -0.190 0.000 1.008 553 S CB 1.845 64.413 63.200 -1.053 0.000 1.026 553 S HN 0.793 nan 8.310 nan 0.000 0.541 554 Q N 0.353 120.262 119.800 0.183 0.000 2.650 554 Q HA 0.310 4.650 4.340 0.000 0.000 0.239 554 Q C -0.488 175.634 176.000 0.203 0.000 0.893 554 Q CA -0.597 55.337 55.803 0.219 0.000 0.755 554 Q CB 0.850 29.803 28.738 0.358 0.000 1.349 554 Q HN 0.675 nan 8.270 nan 0.000 0.461 555 K N 0.523 121.028 120.400 0.175 0.000 2.356 555 K HA 0.242 4.562 4.320 0.000 0.000 0.195 555 K C 0.091 176.800 176.600 0.182 0.000 1.037 555 K CA 0.355 56.756 56.287 0.189 0.000 1.014 555 K CB 0.961 33.586 32.500 0.207 0.000 0.815 555 K HN 0.462 nan 8.250 nan 0.000 0.507 556 A N 3.020 125.956 122.820 0.193 0.000 2.412 556 A HA 0.344 4.664 4.320 0.000 0.000 0.334 556 A C -0.709 176.967 177.584 0.153 0.000 1.419 556 A CA -0.579 51.583 52.037 0.209 0.000 0.930 556 A CB -0.071 19.113 19.000 0.307 0.000 1.149 556 A HN 0.248 nan 8.150 nan 0.000 0.515 557 D N 0.524 120.985 120.400 0.102 0.000 2.652 557 D HA 0.564 5.204 4.640 0.000 0.000 0.285 557 D C -0.061 176.261 176.300 0.036 0.000 1.173 557 D CA 0.004 54.046 54.000 0.071 0.000 0.981 557 D CB 1.242 42.077 40.800 0.057 0.000 1.440 557 D HN 0.249 nan 8.370 nan 0.000 0.485 558 A N -0.568 122.298 122.820 0.076 0.000 2.797 558 A HA 0.656 4.976 4.320 0.000 0.000 0.287 558 A C 0.223 177.789 177.584 -0.029 0.000 1.369 558 A CA 0.011 52.094 52.037 0.075 0.000 0.968 558 A CB -1.024 18.070 19.000 0.156 0.000 1.069 558 A HN 0.724 nan 8.150 nan 0.000 0.571 559 A N -0.154 122.514 122.820 -0.253 0.000 2.304 559 A HA 0.633 4.953 4.320 0.000 0.000 0.323 559 A C -0.449 177.085 177.584 -0.084 0.000 1.195 559 A CA -0.571 51.279 52.037 -0.311 0.000 0.826 559 A CB 0.235 18.812 19.000 -0.704 0.000 1.184 559 A HN 0.608 nan 8.150 nan 0.000 0.496 560 F N 2.589 122.466 119.950 -0.122 0.000 2.484 560 F HA 0.566 5.093 4.527 0.000 0.000 0.360 560 F C 0.580 176.352 175.800 -0.046 0.000 1.101 560 F CA 0.613 58.569 58.000 -0.073 0.000 1.251 560 F CB 0.470 39.434 39.000 -0.059 0.000 1.132 560 F HN 0.640 nan 8.300 nan 0.000 0.570 561 R N 5.362 125.272 120.500 -0.985 0.000 2.680 561 R HA 0.513 4.853 4.340 0.000 0.000 0.269 561 R C -1.720 174.115 176.300 -0.774 0.000 1.026 561 R CA -0.967 54.717 56.100 -0.695 0.000 0.889 561 R CB 1.848 31.987 30.300 -0.269 0.000 1.241 561 R HN 0.696 nan 8.270 nan 0.000 0.463 562 L N 3.952 124.944 121.223 -0.385 0.000 2.457 562 L HA 0.355 4.695 4.340 0.000 0.000 0.252 562 L C -0.761 176.195 176.870 0.142 0.000 1.132 562 L CA -0.698 54.027 54.840 -0.191 0.000 0.938 562 L CB 0.456 42.490 42.059 -0.041 0.000 1.246 562 L HN 0.684 nan 8.230 nan 0.000 0.476 563 N N -0.832 117.916 118.700 0.079 0.000 3.124 563 N HA 0.188 4.928 4.740 0.000 0.000 0.350 563 N C 0.448 175.742 175.510 -0.360 0.000 1.411 563 N CA -0.798 52.291 53.050 0.066 0.000 0.729 563 N CB 0.155 38.705 38.487 0.106 0.000 1.379 563 N HN 0.240 nan 8.380 nan 0.000 0.599 564 W N 0.168 120.869 121.300 -0.998 0.000 2.402 564 W HA 0.224 4.884 4.660 0.000 0.000 0.286 564 W C 1.980 178.413 176.519 -0.143 0.000 1.221 564 W CA 2.134 58.985 57.345 -0.823 0.000 1.257 564 W CB -0.883 28.142 29.460 -0.726 0.000 1.120 564 W HN 0.646 nan 8.180 nan 0.000 0.551 565 A N -0.446 122.342 122.820 -0.054 0.000 1.972 565 A HA -0.192 4.128 4.320 0.000 0.000 0.219 565 A C 1.939 179.455 177.584 -0.114 0.000 1.169 565 A CA 2.359 54.330 52.037 -0.109 0.000 0.635 565 A CB -1.217 17.805 19.000 0.038 0.000 0.810 565 A HN 0.280 nan 8.150 nan 0.000 0.446 566 T N -1.378 113.151 114.554 -0.042 0.000 2.708 566 T HA -0.167 4.183 4.350 0.000 0.000 0.266 566 T C 1.787 176.587 174.700 0.167 0.000 1.037 566 T CA 1.648 63.734 62.100 -0.024 0.000 1.146 566 T CB -0.453 68.311 68.868 -0.174 0.000 0.865 566 T HN 0.644 nan 8.240 nan 0.000 0.435 567 Y N 2.261 122.669 120.300 0.181 0.000 2.070 567 Y HA -0.119 4.431 4.550 0.000 0.000 0.280 567 Y C 2.013 177.877 175.900 -0.059 0.000 1.148 567 Y CA 1.081 59.256 58.100 0.125 0.000 1.125 567 Y CB -0.853 37.592 38.460 -0.026 0.000 0.975 567 Y HN 0.105 nan 8.280 nan 0.000 0.492 568 L N 0.125 121.027 121.223 -0.534 0.000 2.051 568 L HA -0.320 4.020 4.340 0.000 0.000 0.214 568 L C 2.775 179.410 176.870 -0.393 0.000 1.076 568 L CA 1.578 56.024 54.840 -0.656 0.000 0.758 568 L CB -1.119 40.577 42.059 -0.604 0.000 0.890 568 L HN 0.457 nan 8.230 nan 0.000 0.433 569 A N -1.310 121.362 122.820 -0.248 0.000 1.874 569 A HA -0.171 4.149 4.320 0.000 0.000 0.214 569 A C 2.508 180.018 177.584 -0.123 0.000 1.189 569 A CA 1.628 53.566 52.037 -0.166 0.000 0.615 569 A CB -0.620 18.287 19.000 -0.155 0.000 0.830 569 A HN 0.334 nan 8.150 nan 0.000 0.443 570 S N -1.270 114.378 115.700 -0.087 0.000 2.382 570 S HA -0.112 4.358 4.470 0.000 0.000 0.228 570 S C 1.797 176.382 174.600 -0.024 0.000 1.027 570 S CA 2.276 60.466 58.200 -0.017 0.000 0.991 570 S CB -0.246 63.021 63.200 0.112 0.000 0.823 570 S HN 0.577 nan 8.310 nan 0.000 0.469 571 T N 0.497 114.975 114.554 -0.127 0.000 2.999 571 T HA 0.237 4.587 4.350 0.000 0.000 0.247 571 T C 1.273 175.867 174.700 -0.177 0.000 1.012 571 T CA 0.055 62.083 62.100 -0.119 0.000 1.048 571 T CB 0.116 68.948 68.868 -0.059 0.000 1.020 571 T HN 0.259 nan 8.240 nan 0.000 0.478 572 E N 1.555 121.564 120.200 -0.318 0.000 2.447 572 E HA 0.169 4.519 4.350 0.000 0.000 0.195 572 E C 0.140 176.692 176.600 -0.080 0.000 1.028 572 E CA 0.003 56.285 56.400 -0.197 0.000 0.876 572 E CB 0.045 29.581 29.700 -0.273 0.000 0.885 572 E HN 0.261 nan 8.360 nan 0.000 0.500 573 N N 0.590 119.254 118.700 -0.060 0.000 2.780 573 N HA -0.180 4.560 4.740 0.000 0.000 0.248 573 N C -0.711 174.850 175.510 0.085 0.000 1.102 573 N CA 0.601 53.688 53.050 0.063 0.000 0.697 573 N CB -1.502 37.055 38.487 0.117 0.000 1.028 573 N HN 0.258 nan 8.380 nan 0.000 0.554 574 I N 1.011 121.563 120.570 -0.030 0.000 2.412 574 I HA 0.339 4.509 4.170 0.000 0.000 0.296 574 I C 0.942 177.012 176.117 -0.079 0.000 0.987 574 I CA -0.686 60.593 61.300 -0.034 0.000 1.180 574 I CB 1.482 39.469 38.000 -0.022 0.000 1.340 574 I HN -0.060 nan 8.210 nan 0.000 0.455 575 I N 6.713 127.237 120.570 -0.077 0.000 2.322 575 I HA 0.133 4.303 4.170 0.000 0.000 0.292 575 I C -0.321 175.748 176.117 -0.079 0.000 1.060 575 I CA -0.390 60.820 61.300 -0.149 0.000 1.309 575 I CB 0.826 38.721 38.000 -0.175 0.000 1.415 575 I HN 0.207 nan 8.210 nan 0.000 0.492 576 V N 6.872 126.742 119.914 -0.074 0.000 2.385 576 V HA 0.587 4.707 4.120 0.000 0.000 0.269 576 V C 0.457 176.560 176.094 0.015 0.000 1.043 576 V CA -0.342 61.967 62.300 0.016 0.000 0.906 576 V CB 1.022 32.858 31.823 0.021 0.000 0.995 576 V HN 0.819 nan 8.190 nan 0.000 0.467 577 A N 4.131 126.985 122.820 0.057 0.000 2.401 577 A HA 0.892 5.212 4.320 0.000 0.000 0.310 577 A C -0.293 177.424 177.584 0.221 0.000 1.075 577 A CA -0.506 51.556 52.037 0.042 0.000 0.746 577 A CB 1.886 20.718 19.000 -0.280 0.000 1.277 577 A HN 0.664 nan 8.150 nan 0.000 0.425 578 S N 0.139 116.020 115.700 0.301 0.000 2.566 578 S HA 0.822 5.292 4.470 0.000 0.000 0.298 578 S C -1.349 173.601 174.600 0.584 0.000 1.083 578 S CA -0.308 58.123 58.200 0.385 0.000 0.978 578 S CB 1.310 64.685 63.200 0.290 0.000 1.073 578 S HN 0.835 nan 8.310 nan 0.000 0.491 579 F N 1.842 122.010 119.950 0.364 0.000 2.585 579 F HA 0.362 4.889 4.527 0.000 0.000 0.319 579 F C -1.580 174.390 175.800 0.283 0.000 1.165 579 F CA -0.764 57.469 58.000 0.389 0.000 0.949 579 F CB 1.308 40.515 39.000 0.346 0.000 1.218 579 F HN 0.403 nan 8.300 nan 0.000 0.453 580 D N 5.197 125.421 120.400 -0.293 0.000 2.441 580 D HA 0.314 4.954 4.640 0.000 0.000 0.221 580 D C 0.486 176.440 176.300 -0.578 0.000 1.156 580 D CA 0.256 54.100 54.000 -0.259 0.000 0.896 580 D CB 1.458 42.249 40.800 -0.016 0.000 1.028 580 D HN 0.767 nan 8.370 nan 0.000 0.509 581 G N 1.728 110.253 108.800 -0.459 0.000 2.630 581 G HA2 0.252 4.212 3.960 0.000 0.000 0.223 581 G HA3 0.252 4.212 3.960 0.000 0.000 0.223 581 G C 0.361 175.218 174.900 -0.072 0.000 1.434 581 G CA -0.607 44.274 45.100 -0.365 0.000 1.057 581 G HN 0.294 nan 8.290 nan 0.000 0.570 582 R N -0.994 119.453 120.500 -0.088 0.000 2.738 582 R HA 0.378 4.718 4.340 0.000 0.000 0.268 582 R C 1.340 177.642 176.300 0.004 0.000 1.062 582 R CA 1.127 57.254 56.100 0.044 0.000 1.158 582 R CB 0.341 30.653 30.300 0.019 0.000 1.046 582 R HN 1.022 nan 8.270 nan 0.000 0.493 583 G N 0.432 109.239 108.800 0.010 0.000 2.184 583 G HA2 -0.344 3.616 3.960 0.000 0.000 0.264 583 G HA3 -0.344 3.616 3.960 0.000 0.000 0.264 583 G C 0.260 175.101 174.900 -0.099 0.000 0.975 583 G CA 0.666 45.748 45.100 -0.030 0.000 0.642 583 G HN 0.726 nan 8.290 nan 0.000 0.536 584 S N -0.004 115.648 115.700 -0.080 0.000 2.623 584 S HA 0.764 5.234 4.470 0.000 0.000 0.278 584 S C 1.725 176.250 174.600 -0.125 0.000 1.148 584 S CA 0.507 58.635 58.200 -0.120 0.000 1.028 584 S CB 0.843 63.996 63.200 -0.080 0.000 1.145 584 S HN 2.063 nan 8.310 nan 0.000 0.523 585 G N 0.036 108.779 108.800 -0.095 0.000 2.390 585 G HA2 -0.229 3.731 3.960 0.000 0.000 1.024 585 G HA3 -0.229 3.731 3.960 0.000 0.000 1.024 585 G C -0.582 174.152 174.900 -0.276 0.000 1.408 585 G CA 0.817 45.869 45.100 -0.081 0.000 0.850 585 G HN 0.841 nan 8.290 nan 0.000 0.537 586 Y N 0.494 120.785 120.300 -0.015 0.000 2.812 586 Y HA 0.481 5.031 4.550 0.000 0.000 0.354 586 Y C 1.206 177.064 175.900 -0.071 0.000 1.276 586 Y CA -0.204 57.874 58.100 -0.037 0.000 1.639 586 Y CB 0.263 38.730 38.460 0.013 0.000 1.741 586 Y HN 0.385 nan 8.280 nan 0.000 0.479 587 Q N 0.742 120.504 119.800 -0.064 0.000 2.139 587 Q HA 0.445 4.785 4.340 0.000 0.000 0.301 587 Q C 0.359 176.141 176.000 -0.363 0.000 0.874 587 Q CA -0.242 55.508 55.803 -0.089 0.000 1.116 587 Q CB 1.421 30.127 28.738 -0.054 0.000 1.278 587 Q HN 0.666 nan 8.270 nan 0.000 0.426 588 G N 0.704 109.160 108.800 -0.572 0.000 2.712 588 G HA2 -0.191 3.769 3.960 0.000 0.000 0.686 588 G HA3 -0.191 3.769 3.960 0.000 0.000 0.686 588 G C -0.372 174.119 174.900 -0.681 0.000 1.321 588 G CA -0.559 43.955 45.100 -0.975 0.000 0.813 588 G HN 0.190 nan 8.290 nan 0.000 0.599 589 D N 0.112 120.070 120.400 -0.736 0.000 2.219 589 D HA -0.058 4.583 4.640 0.000 0.000 0.205 589 D C 2.193 178.132 176.300 -0.601 0.000 0.970 589 D CA 1.204 54.686 54.000 -0.863 0.000 0.851 589 D CB 0.018 40.208 40.800 -1.016 0.000 0.943 589 D HN 0.591 nan 8.370 nan 0.000 0.488 590 K N 0.716 120.858 120.400 -0.429 0.000 2.044 590 K HA -0.140 4.180 4.320 0.000 0.000 0.210 590 K C 2.087 178.587 176.600 -0.166 0.000 1.049 590 K CA 0.950 57.093 56.287 -0.239 0.000 0.927 590 K CB -0.116 32.275 32.500 -0.182 0.000 0.713 590 K HN 0.128 nan 8.250 nan 0.000 0.443 591 I N 0.433 120.888 120.570 -0.192 0.000 2.333 591 I HA -0.236 3.934 4.170 0.000 0.000 0.246 591 I C 2.664 178.734 176.117 -0.078 0.000 1.106 591 I CA 0.840 62.094 61.300 -0.077 0.000 1.411 591 I CB -0.087 37.868 38.000 -0.074 0.000 1.082 591 I HN 0.331 nan 8.210 nan 0.000 0.420 592 M N 0.098 119.583 119.600 -0.192 0.000 2.123 592 M HA -0.205 4.275 4.480 0.000 0.000 0.263 592 M C 2.203 178.516 176.300 0.022 0.000 1.069 592 M CA 1.844 57.067 55.300 -0.128 0.000 1.133 592 M CB -0.248 32.206 32.600 -0.242 0.000 1.356 592 M HN 0.215 nan 8.290 nan 0.000 0.415 593 H N 0.190 119.098 119.070 -0.271 0.000 2.546 593 H HA 0.178 4.734 4.556 0.000 0.000 0.277 593 H C 1.972 177.266 175.328 -0.057 0.000 1.004 593 H CA 0.865 56.752 56.048 -0.269 0.000 1.231 593 H CB -0.741 28.783 29.762 -0.396 0.000 1.382 593 H HN 0.520 nan 8.280 nan 0.000 0.580 594 A N 0.597 123.459 122.820 0.070 0.000 2.084 594 A HA -0.152 4.168 4.320 0.000 0.000 0.221 594 A C 2.331 179.956 177.584 0.068 0.000 1.161 594 A CA 1.200 53.273 52.037 0.058 0.000 0.653 594 A CB -0.695 18.335 19.000 0.050 0.000 0.802 594 A HN 0.414 nan 8.150 nan 0.000 0.457 595 I N -1.092 119.534 120.570 0.093 0.000 3.427 595 I HA -0.041 4.129 4.170 0.000 0.000 0.288 595 I C 0.641 176.811 176.117 0.089 0.000 1.249 595 I CA -0.252 61.088 61.300 0.067 0.000 1.421 595 I CB -0.244 37.770 38.000 0.023 0.000 1.086 595 I HN 0.312 nan 8.210 nan 0.000 0.448 596 N N 2.466 121.279 118.700 0.188 0.000 2.073 596 N HA -0.224 4.516 4.740 0.000 0.000 0.276 596 N C 0.624 176.202 175.510 0.113 0.000 1.253 596 N CA 0.998 54.175 53.050 0.212 0.000 0.815 596 N CB 0.326 38.914 38.487 0.169 0.000 1.051 596 N HN 0.036 nan 8.380 nan 0.000 0.477 597 K N -0.468 119.985 120.400 0.088 0.000 3.495 597 K HA -0.257 4.063 4.320 0.000 0.000 0.315 597 K C -0.655 176.035 176.600 0.150 0.000 1.301 597 K CA 1.696 58.048 56.287 0.109 0.000 0.985 597 K CB -1.236 31.358 32.500 0.157 0.000 1.244 597 K HN 0.882 nan 8.250 nan 0.000 0.433 598 R N -0.151 120.357 120.500 0.014 0.000 2.837 598 R HA 0.427 4.767 4.340 0.000 0.000 0.245 598 R C -0.003 176.257 176.300 -0.066 0.000 1.712 598 R CA -0.489 55.552 56.100 -0.098 0.000 1.539 598 R CB -0.244 29.905 30.300 -0.251 0.000 1.490 598 R HN -0.074 nan 8.270 nan 0.000 0.667 599 L N 0.981 122.155 121.223 -0.081 0.000 2.476 599 L HA 0.512 4.852 4.340 0.000 0.000 0.255 599 L C 1.262 178.277 176.870 0.242 0.000 1.218 599 L CA 0.403 55.276 54.840 0.054 0.000 0.819 599 L CB 0.470 42.448 42.059 -0.135 0.000 1.119 599 L HN 0.886 nan 8.230 nan 0.000 0.485 600 G N 0.431 109.483 108.800 0.420 0.000 2.179 600 G HA2 -0.244 3.716 3.960 0.000 0.000 0.257 600 G HA3 -0.244 3.716 3.960 0.000 0.000 0.257 600 G C 0.301 175.257 174.900 0.093 0.000 1.010 600 G CA 0.506 45.780 45.100 0.290 0.000 0.736 600 G HN 0.714 nan 8.290 nan 0.000 0.513 601 T N -0.503 114.095 114.554 0.073 0.000 1.850 601 T HA 0.377 4.727 4.350 0.000 0.000 0.176 601 T C 2.298 177.006 174.700 0.013 0.000 0.702 601 T CA 0.194 62.302 62.100 0.013 0.000 1.184 601 T CB -0.184 68.671 68.868 -0.021 0.000 3.221 601 T HN 0.059 nan 8.240 nan 0.000 0.405 602 L N 2.041 123.270 121.223 0.009 0.000 2.021 602 L HA -0.176 4.164 4.340 0.000 0.000 0.215 602 L C 2.918 179.795 176.870 0.012 0.000 1.074 602 L CA 1.950 56.792 54.840 0.003 0.000 0.760 602 L CB -0.914 41.148 42.059 0.004 0.000 0.889 602 L HN 0.628 nan 8.230 nan 0.000 0.433 603 E N 0.629 120.853 120.200 0.041 0.000 2.204 603 E HA -0.152 4.198 4.350 0.000 0.000 0.195 603 E C 2.024 178.673 176.600 0.081 0.000 0.990 603 E CA 1.537 57.976 56.400 0.065 0.000 0.821 603 E CB -0.489 29.271 29.700 0.100 0.000 0.750 603 E HN 0.408 nan 8.360 nan 0.000 0.477 604 V N 1.564 121.509 119.914 0.052 0.000 2.302 604 V HA -0.187 3.933 4.120 0.000 0.000 0.243 604 V C 2.354 178.447 176.094 -0.002 0.000 1.036 604 V CA 1.930 64.234 62.300 0.006 0.000 1.020 604 V CB -0.600 31.189 31.823 -0.057 0.000 0.657 604 V HN 0.185 nan 8.190 nan 0.000 0.453 605 E N 0.532 120.726 120.200 -0.010 0.000 2.033 605 E HA -0.279 4.071 4.350 0.000 0.000 0.199 605 E C 1.948 178.532 176.600 -0.026 0.000 1.011 605 E CA 1.754 58.142 56.400 -0.021 0.000 0.815 605 E CB -0.328 29.356 29.700 -0.028 0.000 0.755 605 E HN 0.560 nan 8.360 nan 0.000 0.451 606 D N 0.289 120.678 120.400 -0.018 0.000 2.190 606 D HA -0.195 4.445 4.640 0.000 0.000 0.200 606 D C 1.931 178.242 176.300 0.019 0.000 0.992 606 D CA 1.087 55.080 54.000 -0.012 0.000 0.854 606 D CB -0.225 40.590 40.800 0.024 0.000 0.936 606 D HN 0.077 nan 8.370 nan 0.000 0.462 607 Q N -0.001 119.852 119.800 0.088 0.000 2.079 607 Q HA 0.006 4.347 4.340 0.000 0.000 0.200 607 Q C 2.156 178.182 176.000 0.044 0.000 0.974 607 Q CA 0.787 56.664 55.803 0.124 0.000 0.840 607 Q CB -0.112 28.711 28.738 0.141 0.000 0.898 607 Q HN 0.334 nan 8.270 nan 0.000 0.430 608 I N 0.097 120.696 120.570 0.049 0.000 2.202 608 I HA -0.230 3.940 4.170 0.000 0.000 0.242 608 I C 2.227 178.296 176.117 -0.080 0.000 1.091 608 I CA 0.939 62.308 61.300 0.114 0.000 1.368 608 I CB -0.329 37.728 38.000 0.095 0.000 1.058 608 I HN 0.220 nan 8.210 nan 0.000 0.410 609 E N 1.224 121.325 120.200 -0.164 0.000 2.065 609 E HA -0.277 4.073 4.350 0.000 0.000 0.201 609 E C 2.275 178.583 176.600 -0.487 0.000 1.016 609 E CA 1.869 58.107 56.400 -0.269 0.000 0.818 609 E CB -0.393 29.156 29.700 -0.252 0.000 0.749 609 E HN 0.478 nan 8.360 nan 0.000 0.453 610 A N 1.061 123.430 122.820 -0.751 0.000 1.917 610 A HA -0.203 4.117 4.320 0.000 0.000 0.219 610 A C 2.439 179.271 177.584 -1.254 0.000 1.182 610 A CA 2.768 54.009 52.037 -1.327 0.000 0.633 610 A CB -0.802 17.119 19.000 -1.798 0.000 0.819 610 A HN 0.327 nan 8.150 nan 0.000 0.448 611 A N -0.315 122.165 122.820 -0.567 0.000 1.883 611 A HA -0.202 4.118 4.320 0.000 0.000 0.217 611 A C 2.264 179.648 177.584 -0.334 0.000 1.186 611 A CA 1.591 53.469 52.037 -0.264 0.000 0.624 611 A CB -0.539 18.367 19.000 -0.156 0.000 0.822 611 A HN 0.552 nan 8.150 nan 0.000 0.444 612 R N -0.911 119.387 120.500 -0.336 0.000 2.094 612 R HA -0.171 4.169 4.340 0.000 0.000 0.239 612 R C 2.384 178.504 176.300 -0.300 0.000 1.137 612 R CA 1.586 57.523 56.100 -0.272 0.000 0.943 612 R CB -0.557 29.609 30.300 -0.223 0.000 0.850 612 R HN 0.553 nan 8.270 nan 0.000 0.433 613 Q N 0.166 119.711 119.800 -0.425 0.000 2.133 613 Q HA -0.166 4.174 4.340 0.000 0.000 0.208 613 Q C 2.127 177.932 176.000 -0.325 0.000 0.991 613 Q CA 1.694 57.252 55.803 -0.408 0.000 0.867 613 Q CB -0.536 27.866 28.738 -0.560 0.000 0.911 613 Q HN 0.453 nan 8.270 nan 0.000 0.417 614 F N 0.418 120.159 119.950 -0.348 0.000 2.102 614 F HA -0.215 4.312 4.527 0.000 0.000 0.298 614 F C 2.398 177.954 175.800 -0.407 0.000 1.105 614 F CA 0.325 58.088 58.000 -0.394 0.000 1.239 614 F CB -0.333 38.459 39.000 -0.347 0.000 0.991 614 F HN 0.029 nan 8.300 nan 0.000 0.474 615 L N 0.263 121.406 121.223 -0.133 0.000 2.012 615 L HA -0.273 4.067 4.340 0.000 0.000 0.210 615 L C 2.281 179.037 176.870 -0.190 0.000 1.073 615 L CA 1.563 56.295 54.840 -0.180 0.000 0.748 615 L CB -0.667 41.296 42.059 -0.160 0.000 0.891 615 L HN 0.093 nan 8.230 nan 0.000 0.431 616 K N -0.345 119.953 120.400 -0.169 0.000 2.360 616 K HA -0.133 4.187 4.320 0.000 0.000 0.201 616 K C 1.864 178.382 176.600 -0.137 0.000 1.046 616 K CA 1.110 57.315 56.287 -0.136 0.000 0.940 616 K CB -0.119 32.307 32.500 -0.124 0.000 0.748 616 K HN 0.348 nan 8.250 nan 0.000 0.465 617 M N -0.528 118.946 119.600 -0.210 0.000 2.686 617 M HA -0.021 4.459 4.480 0.000 0.000 0.246 617 M C 1.335 177.484 176.300 -0.251 0.000 1.096 617 M CA 0.785 55.955 55.300 -0.216 0.000 1.076 617 M CB 0.155 32.563 32.600 -0.319 0.000 1.504 617 M HN 0.477 nan 8.290 nan 0.000 0.524 618 G N 1.396 110.057 108.800 -0.232 0.000 3.329 618 G HA2 -0.358 3.602 3.960 0.000 0.000 0.220 618 G HA3 -0.358 3.602 3.960 0.000 0.000 0.220 618 G C 0.519 175.384 174.900 -0.059 0.000 1.358 618 G CA 0.419 45.462 45.100 -0.094 0.000 0.856 618 G HN 0.620 nan 8.290 nan 0.000 0.551 619 F N 1.862 121.876 119.950 0.107 0.000 2.733 619 F HA 0.650 5.177 4.527 0.000 0.000 0.301 619 F C 0.361 176.288 175.800 0.211 0.000 1.240 619 F CA -0.310 57.805 58.000 0.192 0.000 1.432 619 F CB -0.286 38.907 39.000 0.322 0.000 1.089 619 F HN 0.165 nan 8.300 nan 0.000 0.533 620 V N 1.107 120.989 119.914 -0.054 0.000 2.448 620 V HA 0.135 4.255 4.120 0.000 0.000 0.295 620 V C -0.366 175.705 176.094 -0.039 0.000 1.025 620 V CA -0.982 61.293 62.300 -0.041 0.000 0.859 620 V CB 1.617 33.341 31.823 -0.165 0.000 0.988 620 V HN 0.106 nan 8.190 nan 0.000 0.431 621 D N 3.404 123.784 120.400 -0.034 0.000 2.435 621 D HA 0.032 4.673 4.640 0.000 0.000 0.230 621 D C 1.550 177.796 176.300 -0.089 0.000 1.215 621 D CA 0.470 54.428 54.000 -0.069 0.000 0.947 621 D CB 1.176 41.917 40.800 -0.099 0.000 1.048 621 D HN 0.697 nan 8.370 nan 0.000 0.512 622 S N 3.785 119.434 115.700 -0.085 0.000 2.441 622 S HA -0.195 4.275 4.470 0.000 0.000 0.242 622 S C 1.394 175.949 174.600 -0.074 0.000 1.018 622 S CA 0.800 58.943 58.200 -0.095 0.000 0.988 622 S CB -0.037 63.108 63.200 -0.091 0.000 0.778 622 S HN 0.297 nan 8.310 nan 0.000 0.498 623 K N 0.756 121.122 120.400 -0.057 0.000 2.505 623 K HA 0.247 4.567 4.320 0.000 0.000 0.192 623 K C 0.199 176.800 176.600 0.002 0.000 1.025 623 K CA 0.194 56.465 56.287 -0.026 0.000 1.086 623 K CB -0.012 32.474 32.500 -0.023 0.000 0.840 623 K HN 0.408 nan 8.250 nan 0.000 0.514 624 R N 0.190 120.670 120.500 -0.034 0.000 2.734 624 R HA 0.204 4.544 4.340 0.000 0.000 0.242 624 R C -1.487 174.791 176.300 -0.037 0.000 1.617 624 R CA -0.115 55.977 56.100 -0.014 0.000 1.572 624 R CB 1.079 31.229 30.300 -0.250 0.000 1.477 624 R HN -0.216 nan 8.270 nan 0.000 0.707 625 V N 1.255 121.265 119.914 0.160 0.000 2.409 625 V HA 0.840 4.960 4.120 0.000 0.000 0.291 625 V C -0.005 176.344 176.094 0.424 0.000 1.020 625 V CA -0.714 61.682 62.300 0.160 0.000 0.848 625 V CB 1.556 33.282 31.823 -0.162 0.000 0.990 625 V HN 0.570 nan 8.190 nan 0.000 0.430 626 A N 5.147 128.326 122.820 0.599 0.000 2.387 626 A HA 1.003 5.323 4.320 0.000 0.000 0.298 626 A C -0.976 176.986 177.584 0.631 0.000 1.165 626 A CA -0.792 51.589 52.037 0.574 0.000 0.814 626 A CB 1.869 21.078 19.000 0.349 0.000 1.357 626 A HN 0.928 nan 8.150 nan 0.000 0.443 627 I N 0.681 121.539 120.570 0.481 0.000 2.685 627 I HA 0.550 4.720 4.170 0.000 0.000 0.289 627 I C -1.852 174.511 176.117 0.410 0.000 1.292 627 I CA -0.555 60.971 61.300 0.376 0.000 1.050 627 I CB 1.245 39.227 38.000 -0.029 0.000 1.301 627 I HN 0.951 nan 8.210 nan 0.000 0.425 628 W N 7.402 128.839 121.300 0.228 0.000 2.992 628 W HA 0.933 5.593 4.660 0.000 0.000 0.342 628 W C -1.164 175.496 176.519 0.235 0.000 1.176 628 W CA -1.202 56.277 57.345 0.224 0.000 1.118 628 W CB 1.247 30.880 29.460 0.289 0.000 1.457 628 W HN 0.796 nan 8.180 nan 0.000 0.573 629 G N 0.140 108.915 108.800 -0.042 0.000 2.519 629 G HA2 0.394 4.354 3.960 0.000 0.000 0.292 629 G HA3 0.394 4.354 3.960 0.000 0.000 0.292 629 G C -2.684 172.169 174.900 -0.078 0.000 1.507 629 G CA -0.774 44.145 45.100 -0.301 0.000 0.806 629 G HN 0.631 nan 8.290 nan 0.000 0.523 630 W N 0.974 122.113 121.300 -0.270 0.000 2.719 630 W HA 0.600 5.260 4.660 0.000 0.000 0.352 630 W C 1.042 177.520 176.519 -0.069 0.000 1.085 630 W CA 0.563 57.823 57.345 -0.142 0.000 1.187 630 W CB 1.826 31.181 29.460 -0.175 0.000 1.417 630 W HN 1.007 nan 8.180 nan 0.000 0.557 631 S N 1.047 116.982 115.700 0.392 0.000 4.108 631 S HA -0.434 4.036 4.470 0.000 0.000 0.550 631 S C 0.947 175.650 174.600 0.172 0.000 1.916 631 S CA 1.940 60.309 58.200 0.281 0.000 4.207 631 S CB -1.668 61.692 63.200 0.267 0.000 0.522 631 S HN 0.747 nan 8.310 nan 0.000 0.534 632 Y N 2.745 123.102 120.300 0.096 0.000 2.207 632 Y HA -0.056 4.494 4.550 0.000 0.000 0.287 632 Y C 2.432 178.531 175.900 0.332 0.000 1.156 632 Y CA 2.031 60.297 58.100 0.276 0.000 1.182 632 Y CB -0.920 37.832 38.460 0.487 0.000 0.979 632 Y HN 0.517 nan 8.280 nan 0.000 0.521 633 G N -0.934 108.124 108.800 0.431 0.000 2.432 633 G HA2 -0.227 3.733 3.960 0.000 0.000 0.219 633 G HA3 -0.227 3.733 3.960 0.000 0.000 0.219 633 G C 1.859 176.850 174.900 0.153 0.000 1.135 633 G CA 0.715 45.989 45.100 0.289 0.000 0.767 633 G HN 0.565 nan 8.290 nan 0.000 0.550 634 G N -0.142 108.733 108.800 0.125 0.000 2.408 634 G HA2 -0.233 3.727 3.960 0.000 0.000 0.217 634 G HA3 -0.233 3.727 3.960 0.000 0.000 0.217 634 G C 1.588 176.544 174.900 0.094 0.000 1.150 634 G CA 1.081 46.230 45.100 0.082 0.000 0.776 634 G HN 0.407 nan 8.290 nan 0.000 0.542 635 Y N 1.516 121.765 120.300 -0.084 0.000 2.097 635 Y HA -0.166 4.384 4.550 0.000 0.000 0.282 635 Y C 2.783 178.624 175.900 -0.099 0.000 1.152 635 Y CA 1.732 59.725 58.100 -0.178 0.000 1.136 635 Y CB -0.602 37.608 38.460 -0.416 0.000 0.975 635 Y HN 0.034 nan 8.280 nan 0.000 0.498 636 V N -0.307 119.515 119.914 -0.154 0.000 2.295 636 V HA -0.336 3.784 4.120 0.000 0.000 0.246 636 V C 2.362 178.357 176.094 -0.164 0.000 1.049 636 V CA 2.462 64.645 62.300 -0.196 0.000 1.024 636 V CB -1.323 30.549 31.823 0.081 0.000 0.648 636 V HN 0.488 nan 8.190 nan 0.000 0.447 637 T N 0.004 114.526 114.554 -0.054 0.000 2.653 637 T HA -0.239 4.111 4.350 0.000 0.000 0.268 637 T C 2.130 176.775 174.700 -0.091 0.000 1.035 637 T CA 2.187 64.256 62.100 -0.052 0.000 1.154 637 T CB -0.308 68.609 68.868 0.082 0.000 0.862 637 T HN 0.517 nan 8.240 nan 0.000 0.441 638 S N 0.700 116.382 115.700 -0.029 0.000 2.368 638 S HA 0.039 4.509 4.470 0.000 0.000 0.224 638 S C 2.101 176.640 174.600 -0.102 0.000 1.029 638 S CA 0.832 59.037 58.200 0.009 0.000 0.988 638 S CB -0.241 63.012 63.200 0.088 0.000 0.838 638 S HN 0.346 nan 8.310 nan 0.000 0.462 639 M N 0.819 120.262 119.600 -0.261 0.000 2.296 639 M HA -0.022 4.458 4.480 0.000 0.000 0.265 639 M C 2.047 178.195 176.300 -0.254 0.000 1.064 639 M CA 0.987 56.108 55.300 -0.298 0.000 1.109 639 M CB -1.047 31.250 32.600 -0.507 0.000 1.396 639 M HN 0.196 nan 8.290 nan 0.000 0.430 640 V N 0.398 120.140 119.914 -0.287 0.000 2.302 640 V HA -0.194 3.926 4.120 0.000 0.000 0.243 640 V C 2.437 178.303 176.094 -0.380 0.000 1.036 640 V CA 1.126 63.234 62.300 -0.320 0.000 1.020 640 V CB -0.557 30.997 31.823 -0.450 0.000 0.657 640 V HN 0.375 nan 8.190 nan 0.000 0.453 641 L N 0.661 121.598 121.223 -0.477 0.000 2.129 641 L HA -0.131 4.209 4.340 0.000 0.000 0.212 641 L C 2.172 178.488 176.870 -0.924 0.000 1.087 641 L CA 1.680 56.142 54.840 -0.630 0.000 0.757 641 L CB -0.798 40.826 42.059 -0.725 0.000 0.896 641 L HN 0.517 nan 8.230 nan 0.000 0.434 642 G N -1.479 106.801 108.800 -0.868 0.000 3.284 642 G HA2 -0.016 3.944 3.960 0.000 0.000 0.236 642 G HA3 -0.016 3.944 3.960 0.000 0.000 0.236 642 G C 1.434 176.196 174.900 -0.230 0.000 1.158 642 G CA 0.546 45.278 45.100 -0.614 0.000 0.774 642 G HN 0.443 nan 8.290 nan 0.000 0.545 643 S N -0.648 114.920 115.700 -0.219 0.000 2.496 643 S HA 0.287 4.757 4.470 0.000 0.000 0.224 643 S C 1.911 176.461 174.600 -0.082 0.000 0.996 643 S CA 0.875 59.006 58.200 -0.116 0.000 0.927 643 S CB -0.101 63.039 63.200 -0.100 0.000 0.774 643 S HN 1.306 nan 8.310 nan 0.000 0.524 644 G N 1.804 110.540 108.800 -0.107 0.000 2.249 644 G HA2 -0.332 3.628 3.960 0.000 0.000 0.273 644 G HA3 -0.332 3.628 3.960 0.000 0.000 0.273 644 G C 0.822 175.706 174.900 -0.026 0.000 1.036 644 G CA 0.790 45.853 45.100 -0.061 0.000 0.824 644 G HN 1.257 nan 8.290 nan 0.000 0.504 645 S N -1.026 114.668 115.700 -0.009 0.000 2.515 645 S HA 0.326 4.796 4.470 0.000 0.000 0.231 645 S C 2.514 177.124 174.600 0.018 0.000 0.987 645 S CA 1.435 59.644 58.200 0.014 0.000 0.936 645 S CB -0.101 63.129 63.200 0.050 0.000 0.766 645 S HN 2.377 nan 8.310 nan 0.000 0.528 646 G N 0.449 109.265 108.800 0.026 0.000 2.302 646 G HA2 -0.353 3.607 3.960 0.000 0.000 0.263 646 G HA3 -0.353 3.607 3.960 0.000 0.000 0.263 646 G C 0.906 175.813 174.900 0.012 0.000 0.995 646 G CA 0.480 45.590 45.100 0.017 0.000 0.622 646 G HN 0.750 nan 8.290 nan 0.000 0.538 647 V N -0.128 119.793 119.914 0.012 0.000 2.594 647 V HA 0.133 4.253 4.120 0.000 0.000 0.253 647 V C 1.258 177.168 176.094 -0.306 0.000 1.069 647 V CA 1.799 64.007 62.300 -0.154 0.000 1.082 647 V CB -0.508 31.182 31.823 -0.222 0.000 0.680 647 V HN 0.341 nan 8.190 nan 0.000 0.469 648 F N -0.883 119.069 119.950 0.003 0.000 2.492 648 F HA 0.449 4.976 4.527 0.000 0.000 0.327 648 F C 0.951 176.778 175.800 0.046 0.000 1.079 648 F CA -0.870 57.155 58.000 0.042 0.000 0.967 648 F CB 1.659 40.686 39.000 0.044 0.000 1.169 648 F HN -0.335 nan 8.300 nan 0.000 0.472 649 K N 0.860 121.422 120.400 0.270 0.000 2.141 649 K HA 0.185 4.505 4.320 0.000 0.000 0.202 649 K C -0.114 176.596 176.600 0.184 0.000 1.045 649 K CA 0.866 57.265 56.287 0.186 0.000 0.971 649 K CB 0.325 32.938 32.500 0.188 0.000 0.795 649 K HN 0.793 nan 8.250 nan 0.000 0.459 650 c N -2.188 116.549 118.600 0.228 0.000 3.323 650 c HA 0.935 5.505 4.570 0.000 0.000 0.324 650 c C -0.103 174.194 174.090 0.346 0.000 1.428 650 c CA -0.600 55.885 56.329 0.261 0.000 1.368 650 c CB 1.048 43.623 42.510 0.108 0.000 1.731 650 c HN 0.430 nan 8.230 nan 0.000 0.455 651 G N -0.193 108.893 108.800 0.476 0.000 2.601 651 G HA2 0.689 4.649 3.960 0.000 0.000 0.291 651 G HA3 0.689 4.649 3.960 0.000 0.000 0.291 651 G C -2.004 173.131 174.900 0.392 0.000 1.456 651 G CA -0.673 44.678 45.100 0.419 0.000 0.804 651 G HN 0.970 nan 8.290 nan 0.000 0.499 652 I N 0.385 121.148 120.570 0.321 0.000 2.545 652 I HA 0.670 4.840 4.170 0.000 0.000 0.292 652 I C 0.040 176.285 176.117 0.214 0.000 1.040 652 I CA -1.069 60.301 61.300 0.116 0.000 1.068 652 I CB 2.386 40.426 38.000 0.068 0.000 1.251 652 I HN 0.698 nan 8.210 nan 0.000 0.424 653 A N 6.009 128.856 122.820 0.045 0.000 2.332 653 A HA 0.761 5.081 4.320 0.000 0.000 0.300 653 A C -0.936 176.552 177.584 -0.160 0.000 1.153 653 A CA -0.509 51.553 52.037 0.041 0.000 0.764 653 A CB 1.263 20.359 19.000 0.160 0.000 1.174 653 A HN 0.418 nan 8.150 nan 0.000 0.467 654 V N 2.054 121.793 119.914 -0.291 0.000 2.370 654 V HA 0.578 4.698 4.120 0.000 0.000 0.283 654 V C 0.963 176.649 176.094 -0.680 0.000 1.023 654 V CA 0.337 62.229 62.300 -0.681 0.000 0.857 654 V CB 0.759 31.720 31.823 -1.437 0.000 0.985 654 V HN 2.163 nan 8.190 nan 0.000 0.443 655 A N 5.816 128.263 122.820 -0.622 0.000 2.312 655 A HA -0.102 4.218 4.320 0.000 0.000 0.286 655 A C -1.729 175.755 177.584 -0.167 0.000 1.425 655 A CA 0.412 52.057 52.037 -0.653 0.000 0.748 655 A CB -1.519 17.179 19.000 -0.503 0.000 1.126 655 A HN 0.625 nan 8.150 nan 0.000 0.368 656 P HA 0.495 nan 4.420 nan 0.000 0.279 656 P C -0.173 177.101 177.300 -0.043 0.000 1.276 656 P CA -0.389 62.701 63.100 -0.016 0.000 0.801 656 P CB 1.204 32.919 31.700 0.025 0.000 1.127 657 V N 1.117 120.927 119.914 -0.174 0.000 2.435 657 V HA 0.143 4.264 4.120 0.000 0.000 0.290 657 V C 1.476 177.376 176.094 -0.324 0.000 1.030 657 V CA 0.250 62.304 62.300 -0.410 0.000 0.881 657 V CB 1.103 32.342 31.823 -0.973 0.000 0.983 657 V HN 0.742 nan 8.190 nan 0.000 0.445 658 S N 4.371 119.938 115.700 -0.223 0.000 2.497 658 S HA 0.228 4.698 4.470 0.000 0.000 0.218 658 S C 0.537 174.969 174.600 -0.279 0.000 1.023 658 S CA -0.345 57.779 58.200 -0.127 0.000 0.913 658 S CB 0.213 63.406 63.200 -0.012 0.000 0.800 658 S HN 0.835 nan 8.310 nan 0.000 0.505 659 R N -1.308 118.868 120.500 -0.540 0.000 2.579 659 R HA 0.335 4.675 4.340 0.000 0.000 0.260 659 R C -1.076 174.852 176.300 -0.621 0.000 1.103 659 R CA -0.914 54.828 56.100 -0.598 0.000 0.942 659 R CB -0.195 29.763 30.300 -0.571 0.000 1.251 659 R HN 0.141 nan 8.270 nan 0.000 0.450 660 W N 1.551 122.778 121.300 -0.122 0.000 2.387 660 W HA -0.048 4.612 4.660 0.000 0.000 0.272 660 W C 1.203 177.889 176.519 0.277 0.000 1.224 660 W CA 0.877 58.254 57.345 0.055 0.000 1.210 660 W CB 0.117 29.513 29.460 -0.107 0.000 1.125 660 W HN 0.744 nan 8.180 nan 0.000 0.572 661 E N -1.004 119.394 120.200 0.330 0.000 2.268 661 E HA -0.197 4.153 4.350 0.000 0.000 0.195 661 E C 1.534 178.353 176.600 0.366 0.000 0.995 661 E CA 1.047 57.612 56.400 0.275 0.000 0.836 661 E CB -0.402 29.363 29.700 0.108 0.000 0.763 661 E HN 0.336 nan 8.360 nan 0.000 0.491 662 Y N -1.180 119.239 120.300 0.199 0.000 2.395 662 Y HA -0.003 4.547 4.550 0.000 0.000 0.293 662 Y C 0.861 176.919 175.900 0.263 0.000 1.123 662 Y CA -0.143 58.055 58.100 0.165 0.000 1.227 662 Y CB -0.681 37.814 38.460 0.059 0.000 1.012 662 Y HN 0.037 nan 8.280 nan 0.000 0.552 663 Y N 2.197 122.690 120.300 0.322 0.000 2.326 663 Y HA 0.246 4.796 4.550 0.000 0.000 0.324 663 Y C 0.474 176.609 175.900 0.392 0.000 1.291 663 Y CA -2.083 56.217 58.100 0.334 0.000 1.348 663 Y CB 0.231 38.924 38.460 0.389 0.000 1.294 663 Y HN 0.206 nan 8.280 nan 0.000 0.525 664 D N -0.276 119.823 120.400 -0.501 0.000 2.378 664 D HA 0.027 4.668 4.640 0.000 0.000 0.238 664 D C 0.919 177.144 176.300 -0.125 0.000 1.180 664 D CA 0.523 54.262 54.000 -0.436 0.000 0.895 664 D CB 0.686 41.020 40.800 -0.775 0.000 1.192 664 D HN 0.479 nan 8.370 nan 0.000 0.438 665 S N 0.924 116.567 115.700 -0.094 0.000 2.343 665 S HA -0.207 4.263 4.470 0.000 0.000 0.219 665 S C 2.069 176.657 174.600 -0.020 0.000 1.033 665 S CA 1.142 59.348 58.200 0.011 0.000 1.014 665 S CB -1.109 62.113 63.200 0.038 0.000 0.915 665 S HN 0.437 nan 8.310 nan 0.000 0.435 666 V N 0.879 120.723 119.914 -0.117 0.000 2.324 666 V HA -0.217 3.903 4.120 0.000 0.000 0.250 666 V C 2.281 178.239 176.094 -0.227 0.000 1.060 666 V CA 2.351 64.478 62.300 -0.288 0.000 1.042 666 V CB -1.080 30.439 31.823 -0.506 0.000 0.650 666 V HN 0.572 nan 8.190 nan 0.000 0.450 667 Y N 1.165 121.363 120.300 -0.169 0.000 2.153 667 Y HA -0.178 4.372 4.550 0.000 0.000 0.289 667 Y C 2.754 178.616 175.900 -0.062 0.000 1.119 667 Y CA 2.197 60.272 58.100 -0.041 0.000 1.116 667 Y CB -0.688 37.943 38.460 0.285 0.000 1.004 667 Y HN 0.198 nan 8.280 nan 0.000 0.501 668 T N 0.490 115.174 114.554 0.215 0.000 2.580 668 T HA -0.262 4.088 4.350 0.000 0.000 0.265 668 T C 1.622 176.232 174.700 -0.150 0.000 1.063 668 T CA 2.120 64.286 62.100 0.111 0.000 1.170 668 T CB -0.491 68.629 68.868 0.421 0.000 0.863 668 T HN 0.404 nan 8.240 nan 0.000 0.418 669 E N 0.414 120.581 120.200 -0.055 0.000 2.171 669 E HA -0.186 4.164 4.350 0.000 0.000 0.197 669 E C 2.316 178.757 176.600 -0.265 0.000 0.997 669 E CA 0.829 57.190 56.400 -0.065 0.000 0.810 669 E CB -0.178 29.533 29.700 0.019 0.000 0.738 669 E HN 0.339 nan 8.360 nan 0.000 0.467 670 R N -0.203 119.966 120.500 -0.553 0.000 2.159 670 R HA -0.190 4.150 4.340 0.000 0.000 0.237 670 R C 1.050 176.722 176.300 -1.047 0.000 1.131 670 R CA 1.570 57.140 56.100 -0.884 0.000 0.982 670 R CB 0.038 29.504 30.300 -1.390 0.000 0.868 670 R HN 0.325 nan 8.270 nan 0.000 0.453 671 Y N -3.080 116.858 120.300 -0.603 0.000 2.467 671 Y HA 0.245 4.795 4.550 0.000 0.000 0.259 671 Y C 1.607 177.294 175.900 -0.354 0.000 1.084 671 Y CA -0.542 57.203 58.100 -0.591 0.000 1.275 671 Y CB 0.543 38.507 38.460 -0.827 0.000 1.208 671 Y HN -0.057 nan 8.280 nan 0.000 0.511 672 M N 0.080 119.547 119.600 -0.220 0.000 2.337 672 M HA 0.365 4.845 4.480 0.000 0.000 0.256 672 M C 1.098 177.428 176.300 0.051 0.000 1.075 672 M CA 0.773 55.958 55.300 -0.191 0.000 1.024 672 M CB -0.296 31.977 32.600 -0.546 0.000 1.429 672 M HN 0.375 nan 8.290 nan 0.000 0.497 673 G N 1.741 110.569 108.800 0.047 0.000 2.598 673 G HA2 -0.250 3.710 3.960 0.000 0.000 0.244 673 G HA3 -0.250 3.710 3.960 0.000 0.000 0.244 673 G C -0.481 174.534 174.900 0.192 0.000 1.302 673 G CA -0.709 44.451 45.100 0.100 0.000 0.903 673 G HN 0.357 nan 8.290 nan 0.000 0.575 674 L N 2.161 123.458 121.223 0.123 0.000 2.312 674 L HA 0.396 4.736 4.340 0.000 0.000 0.281 674 L C -1.272 175.561 176.870 -0.063 0.000 1.070 674 L CA -1.745 53.121 54.840 0.044 0.000 0.805 674 L CB 1.885 43.945 42.059 0.002 0.000 1.174 674 L HN 0.454 nan 8.230 nan 0.000 0.434 675 P HA 0.009 nan 4.420 nan 0.000 0.249 675 P C -0.209 176.913 177.300 -0.297 0.000 1.686 675 P CA 0.007 62.645 63.100 -0.771 0.000 0.873 675 P CB -0.610 30.411 31.700 -1.132 0.000 1.828 676 T N -3.467 111.002 114.554 -0.141 0.000 2.932 676 T HA 0.434 4.784 4.350 0.000 0.000 0.289 676 T C -1.863 172.813 174.700 -0.041 0.000 1.039 676 T CA -2.402 59.652 62.100 -0.076 0.000 1.024 676 T CB 2.132 70.969 68.868 -0.052 0.000 1.090 676 T HN -0.204 nan 8.240 nan 0.000 0.496 677 P HA -0.058 nan 4.420 nan 0.000 0.225 677 P C 0.709 177.998 177.300 -0.017 0.000 1.148 677 P CA 0.969 64.058 63.100 -0.018 0.000 0.779 677 P CB 0.186 31.878 31.700 -0.013 0.000 0.780 678 E N -0.924 119.265 120.200 -0.018 0.000 2.489 678 E HA -0.023 4.327 4.350 0.000 0.000 0.193 678 E C 0.898 177.490 176.600 -0.014 0.000 1.057 678 E CA 0.301 56.691 56.400 -0.016 0.000 0.866 678 E CB 0.139 29.829 29.700 -0.016 0.000 0.916 678 E HN 0.317 nan 8.360 nan 0.000 0.500 679 D N 0.572 120.964 120.400 -0.013 0.000 3.029 679 D HA 0.023 4.663 4.640 0.000 0.000 0.181 679 D C 0.170 176.468 176.300 -0.005 0.000 1.356 679 D CA -0.165 53.834 54.000 -0.003 0.000 1.532 679 D CB -0.164 40.644 40.800 0.014 0.000 1.204 679 D HN -0.068 nan 8.370 nan 0.000 0.184 680 N N 0.254 118.982 118.700 0.046 0.000 2.282 680 N HA 0.066 4.806 4.740 0.000 0.000 0.240 680 N C 1.387 177.012 175.510 0.192 0.000 1.182 680 N CA -0.124 52.974 53.050 0.080 0.000 0.874 680 N CB 0.784 39.381 38.487 0.183 0.000 1.126 680 N HN 0.027 nan 8.380 nan 0.000 0.516 681 L N 1.299 122.572 121.223 0.084 0.000 2.021 681 L HA -0.233 4.107 4.340 0.000 0.000 0.215 681 L C 1.343 178.310 176.870 0.161 0.000 1.074 681 L CA 2.040 56.925 54.840 0.075 0.000 0.760 681 L CB -0.524 41.534 42.059 -0.002 0.000 0.889 681 L HN 0.181 nan 8.230 nan 0.000 0.433 682 D N -1.364 119.094 120.400 0.097 0.000 2.104 682 D HA -0.210 4.430 4.640 0.000 0.000 0.194 682 D C 2.110 178.563 176.300 0.255 0.000 0.994 682 D CA 1.646 55.720 54.000 0.124 0.000 0.830 682 D CB -0.371 40.462 40.800 0.055 0.000 0.959 682 D HN 0.479 nan 8.370 nan 0.000 0.452 683 H N -0.850 118.312 119.070 0.152 0.000 2.421 683 H HA -0.068 4.488 4.556 0.000 0.000 0.298 683 H C 1.891 177.313 175.328 0.156 0.000 1.087 683 H CA 0.648 56.769 56.048 0.121 0.000 1.330 683 H CB -0.589 29.212 29.762 0.065 0.000 1.388 683 H HN 0.322 nan 8.280 nan 0.000 0.526 684 Y N 0.885 121.316 120.300 0.219 0.000 2.145 684 Y HA -0.136 4.414 4.550 0.000 0.000 0.286 684 Y C 2.621 178.610 175.900 0.149 0.000 1.145 684 Y CA 1.289 59.509 58.100 0.199 0.000 1.148 684 Y CB 0.054 38.600 38.460 0.145 0.000 0.981 684 Y HN 0.052 nan 8.280 nan 0.000 0.507 685 R N -0.365 120.309 120.500 0.290 0.000 2.148 685 R HA -0.131 4.209 4.340 0.000 0.000 0.227 685 R C 1.737 178.120 176.300 0.138 0.000 1.103 685 R CA 1.035 57.236 56.100 0.168 0.000 0.983 685 R CB -0.359 30.016 30.300 0.125 0.000 0.874 685 R HN 0.349 nan 8.270 nan 0.000 0.451 686 N N 0.941 119.740 118.700 0.165 0.000 2.409 686 N HA -0.066 4.674 4.740 0.000 0.000 0.179 686 N C 0.604 176.182 175.510 0.113 0.000 1.032 686 N CA 0.911 54.037 53.050 0.127 0.000 0.898 686 N CB 0.240 38.811 38.487 0.140 0.000 0.971 686 N HN 0.122 nan 8.380 nan 0.000 0.441 687 S N -0.620 115.174 115.700 0.156 0.000 2.582 687 S HA 0.205 4.676 4.470 0.000 0.000 0.249 687 S C 0.386 175.106 174.600 0.199 0.000 1.072 687 S CA -0.619 57.698 58.200 0.195 0.000 1.115 687 S CB 0.005 63.382 63.200 0.294 0.000 0.790 687 S HN -0.117 nan 8.310 nan 0.000 0.459 688 T N 1.108 115.726 114.554 0.107 0.000 2.913 688 T HA 0.354 4.704 4.350 0.000 0.000 0.287 688 T C 1.294 176.019 174.700 0.041 0.000 1.008 688 T CA -0.448 61.680 62.100 0.047 0.000 1.067 688 T CB 1.511 70.385 68.868 0.010 0.000 0.996 688 T HN 0.126 nan 8.240 nan 0.000 0.513 689 V N 3.606 123.529 119.914 0.016 0.000 2.500 689 V HA -0.091 4.029 4.120 0.000 0.000 0.243 689 V C 2.524 178.585 176.094 -0.055 0.000 1.039 689 V CA 1.014 63.307 62.300 -0.012 0.000 1.053 689 V CB -0.369 31.439 31.823 -0.024 0.000 0.695 689 V HN 0.834 nan 8.190 nan 0.000 0.463 690 M N 1.019 120.578 119.600 -0.069 0.000 2.446 690 M HA -0.064 4.416 4.480 0.000 0.000 0.263 690 M C 2.078 178.352 176.300 -0.044 0.000 1.066 690 M CA 1.921 57.168 55.300 -0.087 0.000 1.087 690 M CB -1.878 30.687 32.600 -0.059 0.000 1.406 690 M HN 0.513 nan 8.290 nan 0.000 0.459 691 S N 0.666 116.360 115.700 -0.011 0.000 2.561 691 S HA 0.047 4.517 4.470 0.000 0.000 0.225 691 S C 1.618 176.233 174.600 0.025 0.000 0.977 691 S CA 0.051 58.257 58.200 0.011 0.000 0.926 691 S CB -0.328 62.886 63.200 0.024 0.000 0.769 691 S HN 0.655 nan 8.310 nan 0.000 0.533 692 R N 0.297 120.821 120.500 0.039 0.000 2.509 692 R HA 0.468 4.808 4.340 0.000 0.000 0.300 692 R C 1.986 178.393 176.300 0.178 0.000 0.985 692 R CA 0.403 56.561 56.100 0.098 0.000 1.092 692 R CB -0.104 30.268 30.300 0.120 0.000 1.237 692 R HN 0.421 nan 8.270 nan 0.000 0.546 693 A N 1.938 124.786 122.820 0.047 0.000 1.915 693 A HA -0.266 4.054 4.320 0.000 0.000 0.220 693 A C 1.910 179.574 177.584 0.133 0.000 1.198 693 A CA 1.556 53.583 52.037 -0.017 0.000 0.647 693 A CB -0.210 18.744 19.000 -0.077 0.000 0.825 693 A HN 0.213 nan 8.150 nan 0.000 0.456 694 E N 0.138 120.399 120.200 0.103 0.000 2.049 694 E HA -0.211 4.139 4.350 0.000 0.000 0.198 694 E C 1.672 178.347 176.600 0.124 0.000 1.007 694 E CA 1.471 57.931 56.400 0.099 0.000 0.809 694 E CB -0.504 29.234 29.700 0.063 0.000 0.749 694 E HN 0.632 nan 8.360 nan 0.000 0.450 695 N N 0.205 118.976 118.700 0.118 0.000 2.519 695 N HA -0.127 4.613 4.740 0.000 0.000 0.186 695 N C 1.391 176.903 175.510 0.002 0.000 1.062 695 N CA 0.494 53.568 53.050 0.039 0.000 0.910 695 N CB -0.384 38.083 38.487 -0.034 0.000 0.958 695 N HN 0.137 nan 8.380 nan 0.000 0.445 696 F N 1.464 121.384 119.950 -0.050 0.000 2.699 696 F HA 0.044 4.571 4.527 0.000 0.000 0.298 696 F C 1.838 177.655 175.800 0.027 0.000 1.154 696 F CA 0.544 58.514 58.000 -0.050 0.000 1.457 696 F CB 0.029 38.964 39.000 -0.107 0.000 1.106 696 F HN -0.008 nan 8.300 nan 0.000 0.585 697 K N 0.036 120.541 120.400 0.175 0.000 2.283 697 K HA -0.135 4.185 4.320 0.000 0.000 0.202 697 K C 0.879 177.539 176.600 0.100 0.000 1.048 697 K CA 0.901 57.272 56.287 0.139 0.000 0.948 697 K CB -0.291 32.271 32.500 0.104 0.000 0.742 697 K HN 0.407 nan 8.250 nan 0.000 0.458 698 Q N 1.012 120.848 119.800 0.060 0.000 2.244 698 Q HA 0.185 4.525 4.340 0.000 0.000 0.239 698 Q C -0.802 175.222 176.000 0.039 0.000 0.890 698 Q CA -0.172 55.655 55.803 0.039 0.000 0.964 698 Q CB 0.589 29.334 28.738 0.012 0.000 1.076 698 Q HN -0.079 nan 8.270 nan 0.000 0.447 699 V N 0.135 120.095 119.914 0.076 0.000 3.098 699 V HA 0.154 4.274 4.120 0.000 0.000 0.294 699 V C -1.114 175.108 176.094 0.213 0.000 1.351 699 V CA -0.994 61.365 62.300 0.100 0.000 0.999 699 V CB 2.846 34.653 31.823 -0.027 0.000 1.104 699 V HN 0.202 nan 8.190 nan 0.000 0.438 700 E N 2.202 122.555 120.200 0.254 0.000 2.227 700 E HA 0.508 4.858 4.350 0.000 0.000 0.282 700 E C -1.783 175.174 176.600 0.595 0.000 1.015 700 E CA -0.440 56.183 56.400 0.371 0.000 0.823 700 E CB 1.882 31.734 29.700 0.252 0.000 1.081 700 E HN 0.518 nan 8.360 nan 0.000 0.396 701 Y N 3.195 123.763 120.300 0.447 0.000 2.442 701 Y HA 0.439 4.989 4.550 0.000 0.000 0.344 701 Y C -1.837 174.154 175.900 0.152 0.000 0.976 701 Y CA -1.450 56.853 58.100 0.339 0.000 1.040 701 Y CB 1.129 39.824 38.460 0.391 0.000 1.228 701 Y HN 0.416 nan 8.280 nan 0.000 0.451 702 L N 7.715 128.636 121.223 -0.504 0.000 2.319 702 L HA 0.600 4.940 4.340 0.000 0.000 0.281 702 L C -2.164 174.253 176.870 -0.754 0.000 1.005 702 L CA -0.744 53.656 54.840 -0.733 0.000 0.828 702 L CB 1.203 42.469 42.059 -1.320 0.000 1.227 702 L HN 0.660 nan 8.230 nan 0.000 0.415 703 L N 6.636 127.492 121.223 -0.611 0.000 2.280 703 L HA 0.649 4.989 4.340 0.000 0.000 0.287 703 L C -0.958 175.780 176.870 -0.220 0.000 1.023 703 L CA 0.050 54.587 54.840 -0.505 0.000 0.819 703 L CB 0.973 42.732 42.059 -0.500 0.000 1.212 703 L HN 0.583 nan 8.230 nan 0.000 0.420 704 I N 4.416 124.864 120.570 -0.203 0.000 2.530 704 I HA 0.481 4.651 4.170 0.000 0.000 0.297 704 I C -0.905 175.188 176.117 -0.039 0.000 1.011 704 I CA -0.716 60.523 61.300 -0.102 0.000 1.107 704 I CB 1.851 39.743 38.000 -0.180 0.000 1.285 704 I HN 0.661 nan 8.210 nan 0.000 0.436 705 H N 2.034 121.157 119.070 0.088 0.000 3.085 705 H HA 0.486 5.042 4.556 0.000 0.000 0.356 705 H C -0.384 175.139 175.328 0.325 0.000 1.178 705 H CA -0.608 55.546 56.048 0.177 0.000 1.214 705 H CB 1.901 31.788 29.762 0.209 0.000 1.881 705 H HN 0.739 nan 8.280 nan 0.000 0.538 706 G N 1.387 110.513 108.800 0.543 0.000 2.415 706 G HA2 0.166 4.126 3.960 0.000 0.000 0.269 706 G HA3 0.166 4.126 3.960 0.000 0.000 0.269 706 G C 0.701 175.834 174.900 0.389 0.000 1.209 706 G CA -0.080 45.282 45.100 0.438 0.000 0.835 706 G HN 0.691 nan 8.290 nan 0.000 0.534 707 T N 1.506 116.164 114.554 0.173 0.000 2.904 707 T HA 0.033 4.383 4.350 0.000 0.000 0.267 707 T C 2.061 176.697 174.700 -0.106 0.000 1.059 707 T CA 1.613 63.674 62.100 -0.065 0.000 1.137 707 T CB -0.038 68.815 68.868 -0.024 0.000 0.879 707 T HN 0.629 nan 8.240 nan 0.000 0.467 708 A N 1.070 123.845 122.820 -0.075 0.000 2.708 708 A HA 0.261 4.581 4.320 0.000 0.000 0.293 708 A C 0.158 177.479 177.584 -0.439 0.000 1.303 708 A CA -0.417 51.351 52.037 -0.448 0.000 0.949 708 A CB -0.042 18.971 19.000 0.021 0.000 1.121 708 A HN 0.196 nan 8.150 nan 0.000 0.542 709 D N 1.600 121.930 120.400 -0.115 0.000 2.342 709 D HA -0.004 4.636 4.640 0.000 0.000 0.260 709 D C 0.244 176.595 176.300 0.085 0.000 1.278 709 D CA 0.156 54.241 54.000 0.141 0.000 0.910 709 D CB 0.665 41.733 40.800 0.447 0.000 1.079 709 D HN 0.577 nan 8.370 nan 0.000 0.496 710 D N 2.294 122.760 120.400 0.111 0.000 2.349 710 D HA -0.123 4.517 4.640 0.000 0.000 0.215 710 D C 0.968 177.292 176.300 0.040 0.000 1.016 710 D CA -0.158 53.912 54.000 0.116 0.000 0.870 710 D CB 0.417 41.251 40.800 0.055 0.000 0.917 710 D HN 0.232 nan 8.370 nan 0.000 0.524 711 N N 0.909 119.697 118.700 0.146 0.000 2.244 711 N HA -0.050 4.691 4.740 0.000 0.000 0.189 711 N C -0.037 175.422 175.510 -0.085 0.000 1.047 711 N CA 0.593 53.731 53.050 0.148 0.000 0.870 711 N CB 0.530 39.015 38.487 -0.003 0.000 1.041 711 N HN -0.083 nan 8.380 nan 0.000 0.448 712 V N 3.114 122.969 119.914 -0.097 0.000 2.311 712 V HA 0.183 4.303 4.120 0.000 0.000 0.275 712 V C 0.341 176.545 176.094 0.183 0.000 1.022 712 V CA -0.598 61.711 62.300 0.015 0.000 0.830 712 V CB 0.844 32.717 31.823 0.083 0.000 1.012 712 V HN 0.350 nan 8.190 nan 0.000 0.452 713 H N 4.452 123.563 119.070 0.069 0.000 2.568 713 H HA -0.117 4.439 4.556 0.000 0.000 0.285 713 H C 1.456 176.762 175.328 -0.036 0.000 1.048 713 H CA 0.991 57.022 56.048 -0.028 0.000 1.197 713 H CB -0.419 29.231 29.762 -0.186 0.000 1.343 713 H HN 0.819 nan 8.280 nan 0.000 0.614 714 F N 0.250 119.974 119.950 -0.377 0.000 2.574 714 F HA -0.482 4.045 4.527 0.000 0.000 0.630 714 F C 2.096 177.657 175.800 -0.398 0.000 0.496 714 F CA 2.114 59.571 58.000 -0.905 0.000 0.836 714 F CB -0.934 37.744 39.000 -0.537 0.000 1.679 714 F HN 0.337 nan 8.300 nan 0.000 0.260 715 Q N 0.661 120.364 119.800 -0.162 0.000 2.152 715 Q HA -0.287 4.053 4.340 0.000 0.000 0.206 715 Q C 1.821 177.608 176.000 -0.355 0.000 0.985 715 Q CA 2.243 57.896 55.803 -0.250 0.000 0.863 715 Q CB -0.284 28.280 28.738 -0.290 0.000 0.904 715 Q HN 0.823 nan 8.270 nan 0.000 0.422 716 Q N -0.217 119.438 119.800 -0.242 0.000 2.020 716 Q HA -0.115 4.225 4.340 0.000 0.000 0.202 716 Q C 2.306 178.226 176.000 -0.133 0.000 0.982 716 Q CA 1.741 57.514 55.803 -0.050 0.000 0.838 716 Q CB -0.141 28.645 28.738 0.080 0.000 0.899 716 Q HN 0.329 nan 8.270 nan 0.000 0.423 717 S N 1.045 116.571 115.700 -0.290 0.000 2.368 717 S HA -0.067 4.403 4.470 0.000 0.000 0.224 717 S C 2.126 176.475 174.600 -0.419 0.000 1.029 717 S CA 0.877 58.893 58.200 -0.307 0.000 0.988 717 S CB -0.238 62.780 63.200 -0.303 0.000 0.838 717 S HN 0.487 nan 8.310 nan 0.000 0.462 718 A N 1.017 123.440 122.820 -0.662 0.000 1.940 718 A HA -0.191 4.129 4.320 0.000 0.000 0.219 718 A C 2.095 179.552 177.584 -0.210 0.000 1.176 718 A CA 1.753 53.525 52.037 -0.443 0.000 0.631 718 A CB -0.612 18.146 19.000 -0.403 0.000 0.814 718 A HN 0.396 nan 8.150 nan 0.000 0.446 719 Q N -0.299 119.395 119.800 -0.176 0.000 2.172 719 Q HA 0.057 4.397 4.340 0.000 0.000 0.200 719 Q C 1.772 177.729 176.000 -0.072 0.000 0.964 719 Q CA 1.243 57.010 55.803 -0.060 0.000 0.855 719 Q CB -0.331 28.452 28.738 0.075 0.000 0.918 719 Q HN 0.731 nan 8.270 nan 0.000 0.444 720 I N -0.273 120.222 120.570 -0.125 0.000 2.193 720 I HA -0.261 3.909 4.170 0.000 0.000 0.240 720 I C 2.227 178.189 176.117 -0.258 0.000 1.084 720 I CA 1.261 62.445 61.300 -0.193 0.000 1.365 720 I CB -0.478 37.400 38.000 -0.203 0.000 1.064 720 I HN 0.257 nan 8.210 nan 0.000 0.410 721 S N 0.909 116.468 115.700 -0.235 0.000 2.370 721 S HA -0.299 4.171 4.470 0.000 0.000 0.226 721 S C 2.057 176.651 174.600 -0.010 0.000 1.033 721 S CA 1.486 59.594 58.200 -0.154 0.000 1.011 721 S CB -0.530 62.719 63.200 0.082 0.000 0.852 721 S HN 0.352 nan 8.310 nan 0.000 0.457 722 K N 1.531 121.916 120.400 -0.024 0.000 2.063 722 K HA -0.044 4.276 4.320 0.000 0.000 0.208 722 K C 2.367 178.963 176.600 -0.008 0.000 1.048 722 K CA 1.212 57.502 56.287 0.004 0.000 0.928 722 K CB -0.629 31.865 32.500 -0.009 0.000 0.713 722 K HN 0.494 nan 8.250 nan 0.000 0.442 723 A N 1.042 123.828 122.820 -0.056 0.000 1.902 723 A HA -0.116 4.204 4.320 0.000 0.000 0.217 723 A C 2.059 179.602 177.584 -0.067 0.000 1.181 723 A CA 1.190 53.188 52.037 -0.065 0.000 0.623 723 A CB -0.498 18.440 19.000 -0.104 0.000 0.818 723 A HN 0.289 nan 8.150 nan 0.000 0.443 724 L N -0.609 120.545 121.223 -0.115 0.000 2.093 724 L HA -0.119 4.221 4.340 0.000 0.000 0.208 724 L C 2.456 179.391 176.870 0.109 0.000 1.085 724 L CA 0.784 55.590 54.840 -0.058 0.000 0.755 724 L CB -0.498 41.437 42.059 -0.206 0.000 0.904 724 L HN 0.234 nan 8.230 nan 0.000 0.435 725 V N -0.303 119.699 119.914 0.146 0.000 2.427 725 V HA -0.257 3.863 4.120 0.000 0.000 0.248 725 V C 1.985 178.125 176.094 0.078 0.000 1.051 725 V CA 1.736 64.121 62.300 0.140 0.000 1.048 725 V CB -0.477 31.423 31.823 0.129 0.000 0.666 725 V HN 0.424 nan 8.190 nan 0.000 0.456 726 D N 0.534 120.965 120.400 0.051 0.000 2.219 726 D HA -0.040 4.600 4.640 0.000 0.000 0.205 726 D C 2.016 178.338 176.300 0.037 0.000 0.970 726 D CA 1.433 55.455 54.000 0.036 0.000 0.851 726 D CB -0.078 40.736 40.800 0.022 0.000 0.943 726 D HN 0.475 nan 8.370 nan 0.000 0.488 727 A N -0.049 122.796 122.820 0.040 0.000 2.218 727 A HA 0.387 4.707 4.320 0.000 0.000 0.209 727 A C 1.625 179.247 177.584 0.062 0.000 1.168 727 A CA 0.875 52.939 52.037 0.045 0.000 0.804 727 A CB -0.211 18.811 19.000 0.036 0.000 0.834 727 A HN 0.203 nan 8.150 nan 0.000 0.482 728 G N -0.840 108.003 108.800 0.072 0.000 2.272 728 G HA2 -0.138 3.822 3.960 0.000 0.000 0.280 728 G HA3 -0.138 3.822 3.960 0.000 0.000 0.280 728 G C -0.129 174.832 174.900 0.101 0.000 1.067 728 G CA 0.262 45.408 45.100 0.076 0.000 0.902 728 G HN 0.881 nan 8.290 nan 0.000 0.500 729 V N 0.276 120.276 119.914 0.143 0.000 2.409 729 V HA 0.483 4.603 4.120 0.000 0.000 0.291 729 V C 0.253 176.510 176.094 0.271 0.000 1.020 729 V CA -0.760 61.657 62.300 0.194 0.000 0.848 729 V CB 1.821 33.769 31.823 0.209 0.000 0.990 729 V HN 0.426 nan 8.190 nan 0.000 0.430 730 D N 3.816 124.341 120.400 0.208 0.000 2.341 730 D HA 0.614 5.254 4.640 0.000 0.000 0.245 730 D C -0.556 175.924 176.300 0.300 0.000 1.106 730 D CA 0.281 54.370 54.000 0.148 0.000 0.905 730 D CB 0.834 41.679 40.800 0.075 0.000 1.202 730 D HN 0.398 nan 8.370 nan 0.000 0.426 731 F N -0.940 119.089 119.950 0.133 0.000 2.817 731 F HA 0.438 4.965 4.527 0.000 0.000 0.317 731 F C -1.527 174.334 175.800 0.102 0.000 1.168 731 F CA -1.097 57.007 58.000 0.173 0.000 0.911 731 F CB 0.811 39.952 39.000 0.236 0.000 1.337 731 F HN 0.198 nan 8.300 nan 0.000 0.464 732 Q N 1.274 121.211 119.800 0.229 0.000 2.274 732 Q HA 0.838 5.178 4.340 0.000 0.000 0.260 732 Q C -0.978 175.095 176.000 0.122 0.000 0.974 732 Q CA -1.127 54.712 55.803 0.061 0.000 0.876 732 Q CB 2.272 31.079 28.738 0.115 0.000 1.297 732 Q HN 0.958 nan 8.270 nan 0.000 0.446 733 A N 1.939 124.779 122.820 0.033 0.000 2.485 733 A HA 0.920 5.240 4.320 0.000 0.000 0.292 733 A C -1.452 176.098 177.584 -0.057 0.000 1.147 733 A CA -0.612 51.468 52.037 0.071 0.000 0.750 733 A CB 1.970 21.101 19.000 0.217 0.000 1.331 733 A HN 0.629 nan 8.150 nan 0.000 0.419 734 M N 0.752 120.304 119.600 -0.079 0.000 2.319 734 M HA 0.513 4.993 4.480 0.000 0.000 0.265 734 M C -2.233 173.973 176.300 -0.156 0.000 1.038 734 M CA -0.535 54.580 55.300 -0.309 0.000 0.946 734 M CB 1.008 33.349 32.600 -0.432 0.000 1.984 734 M HN 1.003 nan 8.290 nan 0.000 0.482 735 W N 4.480 125.634 121.300 -0.243 0.000 2.578 735 W HA 0.796 5.456 4.660 0.000 0.000 0.346 735 W C -2.054 174.202 176.519 -0.439 0.000 1.075 735 W CA -0.958 56.310 57.345 -0.129 0.000 1.233 735 W CB 0.455 29.886 29.460 -0.050 0.000 1.358 735 W HN 0.629 nan 8.180 nan 0.000 0.574 736 Y N 2.554 122.974 120.300 0.200 0.000 2.464 736 Y HA 0.292 4.842 4.550 0.000 0.000 0.326 736 Y C 0.565 176.548 175.900 0.138 0.000 0.969 736 Y CA -0.969 57.165 58.100 0.056 0.000 1.270 736 Y CB 1.363 39.818 38.460 -0.007 0.000 1.103 736 Y HN 0.434 nan 8.280 nan 0.000 0.491 737 T N 4.619 119.291 114.554 0.195 0.000 2.800 737 T HA -0.070 4.280 4.350 0.000 0.000 0.283 737 T C 0.211 174.947 174.700 0.061 0.000 0.999 737 T CA 0.736 62.881 62.100 0.076 0.000 1.176 737 T CB -0.194 68.654 68.868 -0.033 0.000 0.973 737 T HN 0.697 nan 8.240 nan 0.000 0.519 738 D N 0.924 121.353 120.400 0.049 0.000 3.059 738 D HA -0.125 4.515 4.640 0.000 0.000 0.220 738 D C 0.305 176.713 176.300 0.180 0.000 1.169 738 D CA 1.123 55.135 54.000 0.021 0.000 0.902 738 D CB -0.350 40.297 40.800 -0.256 0.000 1.116 738 D HN 0.541 nan 8.370 nan 0.000 0.417 739 E N 0.542 120.855 120.200 0.187 0.000 2.319 739 E HA 0.224 4.574 4.350 0.000 0.000 0.268 739 E C 0.628 177.352 176.600 0.208 0.000 1.050 739 E CA -0.383 56.140 56.400 0.205 0.000 0.878 739 E CB 1.118 30.945 29.700 0.212 0.000 1.066 739 E HN 0.082 nan 8.360 nan 0.000 0.406 740 D N -0.053 120.475 120.400 0.213 0.000 2.325 740 D HA -0.070 4.570 4.640 0.000 0.000 0.262 740 D C 0.938 177.402 176.300 0.274 0.000 1.263 740 D CA 0.073 54.218 54.000 0.240 0.000 1.020 740 D CB 0.473 41.415 40.800 0.236 0.000 1.117 740 D HN 0.470 nan 8.370 nan 0.000 0.545 741 H N -1.411 117.793 119.070 0.223 0.000 2.547 741 H HA 0.175 4.731 4.556 0.000 0.000 0.272 741 H C 1.470 176.992 175.328 0.322 0.000 0.989 741 H CA 1.629 57.827 56.048 0.250 0.000 1.214 741 H CB -0.002 29.903 29.762 0.238 0.000 1.389 741 H HN 0.311 nan 8.280 nan 0.000 0.577 742 G N -0.242 108.651 108.800 0.155 0.000 2.887 742 G HA2 0.090 4.050 3.960 0.000 0.000 0.211 742 G HA3 0.090 4.050 3.960 0.000 0.000 0.211 742 G C 0.519 175.544 174.900 0.209 0.000 1.152 742 G CA 0.154 45.288 45.100 0.057 0.000 0.769 742 G HN 0.473 nan 8.290 nan 0.000 0.541 743 I N 0.195 120.888 120.570 0.205 0.000 5.115 743 I HA -0.329 3.841 4.170 0.000 0.000 0.126 743 I C 1.519 177.715 176.117 0.131 0.000 1.316 743 I CA 0.183 61.558 61.300 0.125 0.000 2.641 743 I CB -1.159 36.855 38.000 0.024 0.000 2.272 743 I HN 0.251 nan 8.210 nan 0.000 0.321 744 A N 1.298 124.177 122.820 0.099 0.000 2.348 744 A HA 0.291 4.611 4.320 0.000 0.000 0.224 744 A C 1.148 178.756 177.584 0.040 0.000 1.227 744 A CA 0.538 52.602 52.037 0.045 0.000 0.885 744 A CB 0.135 19.120 19.000 -0.026 0.000 0.933 744 A HN 0.634 nan 8.150 nan 0.000 0.506 745 S N -0.319 115.425 115.700 0.074 0.000 2.562 745 S HA 0.205 4.675 4.470 0.000 0.000 0.281 745 S C 1.167 175.818 174.600 0.085 0.000 1.333 745 S CA 0.328 58.571 58.200 0.071 0.000 1.052 745 S CB 1.149 64.403 63.200 0.090 0.000 0.884 745 S HN 0.429 nan 8.310 nan 0.000 0.506 746 S N 2.786 118.523 115.700 0.062 0.000 2.422 746 S HA -0.268 4.202 4.470 0.000 0.000 0.248 746 S C 2.238 176.901 174.600 0.104 0.000 1.069 746 S CA 2.837 61.083 58.200 0.076 0.000 1.214 746 S CB -1.682 61.542 63.200 0.041 0.000 1.122 746 S HN 1.130 nan 8.310 nan 0.000 0.432 747 T N 0.025 114.629 114.554 0.083 0.000 2.746 747 T HA 0.036 4.386 4.350 0.000 0.000 0.267 747 T C 1.916 176.682 174.700 0.110 0.000 1.039 747 T CA 1.764 63.918 62.100 0.090 0.000 1.142 747 T CB -1.029 67.885 68.868 0.077 0.000 0.866 747 T HN 0.537 nan 8.240 nan 0.000 0.444 748 A N 1.708 124.579 122.820 0.085 0.000 1.877 748 A HA -0.128 4.192 4.320 0.000 0.000 0.216 748 A C 2.243 179.799 177.584 -0.047 0.000 1.186 748 A CA 2.185 54.224 52.037 0.002 0.000 0.620 748 A CB -1.440 17.538 19.000 -0.038 0.000 0.822 748 A HN 0.776 nan 8.150 nan 0.000 0.443 749 H N -0.037 119.013 119.070 -0.032 0.000 2.353 749 H HA -0.181 4.375 4.556 0.000 0.000 0.298 749 H C 2.084 177.476 175.328 0.108 0.000 1.103 749 H CA 2.451 58.525 56.048 0.042 0.000 1.293 749 H CB -0.230 29.567 29.762 0.059 0.000 1.372 749 H HN 0.620 nan 8.280 nan 0.000 0.501 750 Q N -1.168 118.601 119.800 -0.051 0.000 2.083 750 Q HA -0.161 4.179 4.340 0.000 0.000 0.198 750 Q C 2.227 178.202 176.000 -0.043 0.000 0.969 750 Q CA 1.161 56.907 55.803 -0.096 0.000 0.838 750 Q CB -0.202 28.528 28.738 -0.014 0.000 0.900 750 Q HN 0.629 nan 8.270 nan 0.000 0.436 751 H N 1.069 120.107 119.070 -0.053 0.000 2.321 751 H HA -0.086 4.470 4.556 0.000 0.000 0.300 751 H C 1.998 177.313 175.328 -0.022 0.000 1.087 751 H CA 1.361 57.415 56.048 0.010 0.000 1.319 751 H CB -0.067 29.765 29.762 0.117 0.000 1.379 751 H HN 0.276 nan 8.280 nan 0.000 0.501 752 I N 0.014 120.570 120.570 -0.024 0.000 2.361 752 I HA -0.307 3.863 4.170 0.000 0.000 0.251 752 I C 1.651 177.518 176.117 -0.417 0.000 1.133 752 I CA 1.220 62.383 61.300 -0.228 0.000 1.413 752 I CB -0.236 37.408 38.000 -0.595 0.000 1.073 752 I HN 0.168 nan 8.210 nan 0.000 0.424 753 Y N 0.125 120.189 120.300 -0.394 0.000 2.365 753 Y HA -0.112 4.439 4.550 0.000 0.000 0.293 753 Y C 2.771 178.396 175.900 -0.459 0.000 1.119 753 Y CA 1.217 58.936 58.100 -0.634 0.000 1.203 753 Y CB -0.017 38.047 38.460 -0.660 0.000 1.026 753 Y HN 0.129 nan 8.280 nan 0.000 0.549 754 S N -1.105 114.472 115.700 -0.205 0.000 2.355 754 S HA -0.238 4.232 4.470 0.000 0.000 0.222 754 S C 1.661 176.008 174.600 -0.421 0.000 1.031 754 S CA 1.497 59.505 58.200 -0.321 0.000 0.993 754 S CB -0.463 62.594 63.200 -0.238 0.000 0.859 754 S HN 0.531 nan 8.310 nan 0.000 0.453 755 H N 1.157 120.053 119.070 -0.290 0.000 2.387 755 H HA 0.115 4.671 4.556 0.000 0.000 0.299 755 H C 1.992 177.268 175.328 -0.085 0.000 1.090 755 H CA 1.630 57.600 56.048 -0.129 0.000 1.332 755 H CB -0.151 29.574 29.762 -0.062 0.000 1.386 755 H HN 0.291 nan 8.280 nan 0.000 0.516 756 M N -1.020 118.492 119.600 -0.146 0.000 2.200 756 M HA -0.129 4.351 4.480 0.000 0.000 0.265 756 M C 2.425 178.799 176.300 0.124 0.000 1.066 756 M CA 1.288 56.518 55.300 -0.117 0.000 1.127 756 M CB 0.149 32.462 32.600 -0.478 0.000 1.379 756 M HN 0.184 nan 8.290 nan 0.000 0.420 757 S N -0.416 115.358 115.700 0.124 0.000 2.359 757 S HA -0.173 4.297 4.470 0.000 0.000 0.224 757 S C 1.689 176.367 174.600 0.131 0.000 1.035 757 S CA 1.198 59.572 58.200 0.290 0.000 1.018 757 S CB -0.669 62.668 63.200 0.228 0.000 0.876 757 S HN 0.472 nan 8.310 nan 0.000 0.448 758 H N -0.184 118.936 119.070 0.084 0.000 2.456 758 H HA -0.006 4.550 4.556 0.000 0.000 0.296 758 H C 1.888 177.204 175.328 -0.019 0.000 1.079 758 H CA 0.948 56.999 56.048 0.004 0.000 1.322 758 H CB -0.669 29.049 29.762 -0.073 0.000 1.388 758 H HN 0.451 nan 8.280 nan 0.000 0.538 759 F N 1.299 121.215 119.950 -0.056 0.000 2.146 759 F HA -0.120 4.407 4.527 0.000 0.000 0.298 759 F C 2.230 177.976 175.800 -0.090 0.000 1.096 759 F CA 0.908 58.851 58.000 -0.095 0.000 1.275 759 F CB -0.453 38.477 39.000 -0.116 0.000 1.008 759 F HN -0.014 nan 8.300 nan 0.000 0.480 760 L N -0.251 120.919 121.223 -0.088 0.000 2.072 760 L HA -0.204 4.136 4.340 0.000 0.000 0.205 760 L C 2.477 179.188 176.870 -0.264 0.000 1.079 760 L CA 1.326 55.968 54.840 -0.330 0.000 0.752 760 L CB -0.849 41.126 42.059 -0.140 0.000 0.906 760 L HN 0.200 nan 8.230 nan 0.000 0.436 761 Q N -0.334 119.443 119.800 -0.039 0.000 2.096 761 Q HA -0.263 4.077 4.340 0.000 0.000 0.204 761 Q C 2.232 178.220 176.000 -0.021 0.000 0.982 761 Q CA 1.582 57.408 55.803 0.039 0.000 0.850 761 Q CB -0.147 28.662 28.738 0.117 0.000 0.901 761 Q HN 0.569 nan 8.270 nan 0.000 0.422 762 Q N -0.115 119.628 119.800 -0.096 0.000 2.016 762 Q HA -0.180 4.160 4.340 0.000 0.000 0.200 762 Q C 2.472 178.365 176.000 -0.178 0.000 0.978 762 Q CA 1.413 57.142 55.803 -0.124 0.000 0.833 762 Q CB -0.433 28.214 28.738 -0.153 0.000 0.895 762 Q HN 0.460 nan 8.270 nan 0.000 0.427 763 c N 0.230 118.605 118.600 -0.375 0.000 2.413 763 c HA -0.137 4.433 4.570 0.000 0.000 0.276 763 c C 2.061 176.094 174.090 -0.096 0.000 1.248 763 c CA 0.640 56.742 56.329 -0.378 0.000 1.742 763 c CB -1.027 41.056 42.510 -0.711 0.000 2.017 763 c HN 0.497 nan 8.230 nan 0.000 0.481 764 F N 1.027 120.926 119.950 -0.084 0.000 2.731 764 F HA 0.121 4.648 4.527 0.000 0.000 0.304 764 F C 1.572 177.350 175.800 -0.036 0.000 1.133 764 F CA 0.193 58.167 58.000 -0.042 0.000 1.380 764 F CB -0.093 38.891 39.000 -0.025 0.000 1.079 764 F HN 0.248 nan 8.300 nan 0.000 0.550 765 S N 0.192 115.963 115.700 0.119 0.000 3.445 765 S HA -0.220 4.250 4.470 0.000 0.000 0.319 765 S C 0.818 175.454 174.600 0.060 0.000 1.209 765 S CA 0.474 58.710 58.200 0.061 0.000 0.934 765 S CB -2.085 61.144 63.200 0.048 0.000 0.999 765 S HN 0.373 nan 8.310 nan 0.000 0.582 766 L N 0.366 121.641 121.223 0.087 0.000 2.539 766 L HA 0.361 4.701 4.340 0.000 0.000 0.160 766 L C 1.556 178.458 176.870 0.053 0.000 1.447 766 L CA -0.181 54.702 54.840 0.072 0.000 3.093 766 L CB -0.501 41.619 42.059 0.101 0.000 2.998 766 L HN 0.509 nan 8.230 nan 0.000 1.023 767 R N 0.000 120.540 120.500 0.066 0.000 2.786 767 R HA 0.000 4.340 4.340 0.000 0.000 0.208 767 R CA 0.000 56.136 56.100 0.061 0.000 0.921 767 R CB 0.000 30.336 30.300 0.060 0.000 0.687 767 R HN 0.000 nan 8.270 nan 0.000 0.535