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 2ohi_1_I DATA FIRST_RESID 1 DATA SEQUENCE MKAAAKRISD GVYWTGVLDW DLRNYHGYTL QGTTYNAYLV CGDEGVALID DATA SEQUENCE NSYPGTFDEL MARVEDALQQ VGMERVDYII QNHVEKDHSG VLVELHRRFP DATA SEQUENCE EAPIYCTEVA VKGLLKHYPS LREAEFMTVK TGDVLDLGGK TLTFLETPLL DATA SEQUENCE HWPDSMFTLL DEDGILFSND AFGQHLCCPQ RLDREIPEYI LMDAARKFYA DATA SEQUENCE NLITPLSKLV LKKFDEVKEL GLLERIQMIA PSHGQIWTDP MKIIEAYTGW DATA SEQUENCE ATGMVDERVT VIYDTMHGST RKMAHAIAEG AMSEGVDVRV YCLHEDDRSE DATA SEQUENCE IVKDILESGA IALGAPTIYD EPYPSVGDLL MYLRGLKFNR TLTRKALVFG DATA SEQUENCE SMGGNGGATG TMKELLAEAG FDVACEEEVY YVPTGDELDA CFEAGRKLAA DATA SEQUENCE EIR 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.301 176.300 0.002 0.000 1.140 1 M CA 0.000 55.299 55.300 -0.001 0.000 0.988 1 M CB 0.000 32.595 32.600 -0.009 0.000 1.302 2 K N 2.269 122.678 120.400 0.016 0.000 2.473 2 K HA 0.750 5.070 4.320 -0.000 0.000 0.246 2 K C -1.637 174.987 176.600 0.039 0.000 1.011 2 K CA -0.158 56.143 56.287 0.024 0.000 0.984 2 K CB 1.553 34.070 32.500 0.028 0.000 1.250 2 K HN 0.658 nan 8.250 nan 0.000 0.454 3 A N 1.780 124.621 122.820 0.035 0.000 2.437 3 A HA 0.704 5.024 4.320 -0.000 0.000 0.293 3 A C -1.221 176.398 177.584 0.059 0.000 1.038 3 A CA -0.664 51.408 52.037 0.059 0.000 0.708 3 A CB 1.460 20.492 19.000 0.052 0.000 1.251 3 A HN 0.572 nan 8.150 nan 0.000 0.409 4 A N 1.510 124.392 122.820 0.103 0.000 2.306 4 A HA 0.828 5.147 4.320 -0.000 0.000 0.314 4 A C 0.621 178.314 177.584 0.182 0.000 1.164 4 A CA 0.156 52.263 52.037 0.116 0.000 0.822 4 A CB 0.648 19.719 19.000 0.118 0.000 1.130 4 A HN 2.326 nan 8.150 nan 0.000 0.496 5 A N 1.591 124.514 122.820 0.171 0.000 2.346 5 A HA 0.574 4.893 4.320 -0.000 0.000 0.252 5 A C 0.309 178.116 177.584 0.371 0.000 1.089 5 A CA -0.160 52.039 52.037 0.270 0.000 0.797 5 A CB 0.210 19.343 19.000 0.223 0.000 1.047 5 A HN 0.848 nan 8.150 nan 0.000 0.494 6 K N 0.841 121.522 120.400 0.467 0.000 2.394 6 K HA 0.277 4.597 4.320 -0.000 0.000 0.260 6 K C -0.124 176.568 176.600 0.154 0.000 0.967 6 K CA -0.505 55.959 56.287 0.294 0.000 0.855 6 K CB 0.879 33.507 32.500 0.214 0.000 1.101 6 K HN 0.687 nan 8.250 nan 0.000 0.433 7 R N 6.144 126.586 120.500 -0.097 0.000 2.399 7 R HA 0.069 4.409 4.340 -0.000 0.000 0.324 7 R C 0.624 176.777 176.300 -0.246 0.000 1.030 7 R CA 0.208 55.966 56.100 -0.571 0.000 0.984 7 R CB -0.003 29.943 30.300 -0.591 0.000 0.961 7 R HN 0.868 nan 8.270 nan 0.000 0.433 8 I N -0.281 120.182 120.570 -0.179 0.000 3.941 8 I HA 0.249 4.419 4.170 -0.000 0.000 0.321 8 I C -0.280 175.777 176.117 -0.099 0.000 1.284 8 I CA -0.248 61.005 61.300 -0.078 0.000 1.226 8 I CB 0.525 38.541 38.000 0.027 0.000 1.045 8 I HN 0.242 nan 8.210 nan 0.000 0.420 9 S N 0.077 115.696 115.700 -0.135 0.000 2.636 9 S HA 0.156 4.625 4.470 -0.000 0.000 0.268 9 S C -1.373 173.164 174.600 -0.105 0.000 1.159 9 S CA -0.727 57.414 58.200 -0.099 0.000 0.815 9 S CB 1.493 64.656 63.200 -0.061 0.000 1.130 9 S HN 0.281 nan 8.310 nan 0.000 0.471 10 D N 0.951 121.321 120.400 -0.050 0.000 2.389 10 D HA 0.298 4.937 4.640 -0.000 0.000 0.263 10 D C 1.245 177.568 176.300 0.040 0.000 1.255 10 D CA 1.842 55.837 54.000 -0.008 0.000 0.914 10 D CB 0.120 40.921 40.800 0.001 0.000 1.116 10 D HN 0.970 nan 8.370 nan 0.000 0.502 11 G N 2.874 111.740 108.800 0.109 0.000 2.189 11 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.267 11 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.267 11 G C 0.265 175.309 174.900 0.239 0.000 0.975 11 G CA 0.413 45.637 45.100 0.206 0.000 0.644 11 G HN 0.548 nan 8.290 nan 0.000 0.537 12 V N 0.648 120.641 119.914 0.132 0.000 2.334 12 V HA 0.619 4.739 4.120 -0.000 0.000 0.281 12 V C -0.434 175.710 176.094 0.083 0.000 1.016 12 V CA -0.950 61.453 62.300 0.172 0.000 0.832 12 V CB 0.973 32.894 31.823 0.163 0.000 0.999 12 V HN 0.251 nan 8.190 nan 0.000 0.439 13 Y N 2.355 122.759 120.300 0.172 0.000 2.393 13 Y HA 0.405 4.955 4.550 -0.000 0.000 0.341 13 Y C -0.169 175.901 175.900 0.284 0.000 0.988 13 Y CA -0.601 57.614 58.100 0.192 0.000 1.078 13 Y CB 1.823 40.343 38.460 0.099 0.000 1.203 13 Y HN 0.762 nan 8.280 nan 0.000 0.453 14 W N 4.880 126.335 121.300 0.259 0.000 2.304 14 W HA 0.378 5.038 4.660 -0.000 0.000 0.313 14 W C -0.121 176.437 176.519 0.066 0.000 1.323 14 W CA -0.382 57.059 57.345 0.160 0.000 1.223 14 W CB 0.919 30.453 29.460 0.124 0.000 1.237 14 W HN 0.517 nan 8.180 nan 0.000 0.535 15 T N 3.469 117.526 114.554 -0.828 0.000 3.732 15 T HA 0.492 4.842 4.350 -0.000 0.000 0.234 15 T C 0.123 174.153 174.700 -1.115 0.000 1.146 15 T CA -0.339 61.280 62.100 -0.802 0.000 1.454 15 T CB -0.185 68.474 68.868 -0.349 0.000 0.910 15 T HN 0.517 nan 8.240 nan 0.000 0.640 16 G N 0.647 108.195 108.800 -2.086 0.000 2.736 16 G HA2 0.743 4.703 3.960 -0.000 0.000 0.229 16 G HA3 0.743 4.703 3.960 -0.000 0.000 0.229 16 G C -0.774 173.803 174.900 -0.539 0.000 1.380 16 G CA -0.495 43.940 45.100 -1.108 0.000 1.040 16 G HN 1.044 nan 8.290 nan 0.000 0.568 17 V N -0.861 119.020 119.914 -0.054 0.000 2.709 17 V HA 0.683 4.803 4.120 -0.000 0.000 0.308 17 V C -0.902 175.252 176.094 0.099 0.000 1.062 17 V CA -0.997 61.356 62.300 0.089 0.000 0.901 17 V CB 1.598 33.497 31.823 0.126 0.000 1.003 17 V HN 0.553 nan 8.190 nan 0.000 0.425 18 L N 5.013 126.237 121.223 0.003 0.000 2.261 18 L HA 0.481 4.820 4.340 -0.000 0.000 0.289 18 L C -0.108 176.557 176.870 -0.342 0.000 1.059 18 L CA -0.200 54.447 54.840 -0.321 0.000 0.816 18 L CB 0.814 42.504 42.059 -0.614 0.000 1.191 18 L HN 0.663 nan 8.230 nan 0.000 0.431 19 D N 2.893 123.091 120.400 -0.337 0.000 2.524 19 D HA 0.065 4.705 4.640 -0.000 0.000 0.222 19 D C 0.686 176.901 176.300 -0.141 0.000 1.142 19 D CA -0.281 53.617 54.000 -0.170 0.000 0.973 19 D CB 0.356 41.046 40.800 -0.183 0.000 1.025 19 D HN 0.384 nan 8.370 nan 0.000 0.519 20 W N 1.300 122.594 121.300 -0.010 0.000 2.374 20 W HA -0.096 4.564 4.660 -0.000 0.000 0.288 20 W C 1.526 178.036 176.519 -0.015 0.000 1.218 20 W CA 0.327 57.666 57.345 -0.010 0.000 1.245 20 W CB 0.341 29.805 29.460 0.006 0.000 1.126 20 W HN 0.297 nan 8.180 nan 0.000 0.545 21 D N -0.526 119.997 120.400 0.205 0.000 2.360 21 D HA 0.045 4.685 4.640 -0.000 0.000 0.210 21 D C 0.361 176.696 176.300 0.059 0.000 1.047 21 D CA 0.139 54.215 54.000 0.126 0.000 0.854 21 D CB -0.098 40.767 40.800 0.108 0.000 0.936 21 D HN -0.001 nan 8.370 nan 0.000 0.514 22 L N 1.825 123.057 121.223 0.016 0.000 2.455 22 L HA 0.038 4.378 4.340 -0.000 0.000 0.272 22 L C 1.199 178.067 176.870 -0.003 0.000 1.174 22 L CA 0.456 55.280 54.840 -0.027 0.000 0.869 22 L CB 0.593 42.585 42.059 -0.112 0.000 1.130 22 L HN -0.277 nan 8.230 nan 0.000 0.474 23 R N 2.461 122.969 120.500 0.012 0.000 2.369 23 R HA 0.259 4.598 4.340 -0.000 0.000 0.210 23 R C -0.181 176.140 176.300 0.035 0.000 0.881 23 R CA 0.080 56.198 56.100 0.030 0.000 1.031 23 R CB -0.274 30.048 30.300 0.036 0.000 1.184 23 R HN 0.739 nan 8.270 nan 0.000 0.581 24 N N 0.113 118.831 118.700 0.031 0.000 2.500 24 N HA 0.065 4.805 4.740 -0.000 0.000 0.291 24 N C -1.929 173.618 175.510 0.062 0.000 1.092 24 N CA -0.412 52.664 53.050 0.043 0.000 0.890 24 N CB 1.005 39.511 38.487 0.033 0.000 1.466 24 N HN -0.129 nan 8.380 nan 0.000 0.507 25 Y N 5.989 126.181 120.300 -0.180 0.000 2.944 25 Y HA 0.239 4.789 4.550 -0.000 0.000 0.335 25 Y C -0.150 175.425 175.900 -0.541 0.000 1.075 25 Y CA -0.771 57.129 58.100 -0.334 0.000 1.240 25 Y CB -0.702 37.410 38.460 -0.581 0.000 1.167 25 Y HN 0.695 nan 8.280 nan 0.000 0.555 26 H N 2.480 121.510 119.070 -0.066 0.000 2.680 26 H HA -0.194 4.362 4.556 -0.000 0.000 0.328 26 H C 0.796 176.081 175.328 -0.073 0.000 1.139 26 H CA 0.793 56.778 56.048 -0.104 0.000 1.124 26 H CB -1.706 27.946 29.762 -0.183 0.000 1.584 26 H HN 1.287 nan 8.280 nan 0.000 0.410 27 G N 0.273 109.060 108.800 -0.021 0.000 2.147 27 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.244 27 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.244 27 G C -0.272 174.588 174.900 -0.067 0.000 1.005 27 G CA 0.419 45.480 45.100 -0.065 0.000 0.713 27 G HN 0.986 nan 8.290 nan 0.000 0.515 28 Y N 1.516 121.696 120.300 -0.200 0.000 2.332 28 Y HA 0.537 5.086 4.550 -0.000 0.000 0.326 28 Y C 0.462 176.294 175.900 -0.113 0.000 0.978 28 Y CA -0.360 57.641 58.100 -0.165 0.000 1.205 28 Y CB 1.527 39.830 38.460 -0.262 0.000 1.131 28 Y HN 0.358 nan 8.280 nan 0.000 0.462 29 T N 5.916 120.530 114.554 0.099 0.000 2.744 29 T HA 0.644 4.994 4.350 -0.000 0.000 0.291 29 T C -0.702 174.099 174.700 0.167 0.000 0.957 29 T CA -0.518 61.642 62.100 0.100 0.000 1.002 29 T CB 0.669 69.550 68.868 0.022 0.000 0.919 29 T HN 0.520 nan 8.240 nan 0.000 0.468 30 L N 0.916 122.233 121.223 0.155 0.000 2.250 30 L HA 0.697 5.037 4.340 -0.000 0.000 0.252 30 L C -0.077 176.849 176.870 0.093 0.000 1.054 30 L CA -1.092 53.842 54.840 0.156 0.000 0.856 30 L CB 1.159 43.293 42.059 0.124 0.000 1.443 30 L HN 0.300 nan 8.230 nan 0.000 0.427 31 Q N 0.916 120.772 119.800 0.094 0.000 2.769 31 Q HA 0.521 4.861 4.340 -0.000 0.000 0.375 31 Q C -0.113 175.930 176.000 0.071 0.000 0.996 31 Q CA 0.393 56.247 55.803 0.085 0.000 1.042 31 Q CB 0.955 29.753 28.738 0.100 0.000 1.329 31 Q HN 1.042 nan 8.270 nan 0.000 0.427 32 G N 0.612 109.427 108.800 0.025 0.000 2.712 32 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.686 32 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.686 32 G C -0.470 174.367 174.900 -0.105 0.000 1.321 32 G CA -0.073 45.007 45.100 -0.034 0.000 0.813 32 G HN 0.365 nan 8.290 nan 0.000 0.599 33 T N -1.279 113.143 114.554 -0.220 0.000 2.654 33 T HA 0.950 5.300 4.350 -0.000 0.000 0.289 33 T C 0.341 174.810 174.700 -0.385 0.000 1.062 33 T CA 1.126 63.088 62.100 -0.229 0.000 1.041 33 T CB 1.581 70.355 68.868 -0.157 0.000 1.417 33 T HN 2.310 nan 8.240 nan 0.000 0.510 34 T N -0.093 114.268 114.554 -0.322 0.000 2.906 34 T HA 0.729 5.079 4.350 -0.000 0.000 0.295 34 T C -1.870 172.578 174.700 -0.421 0.000 1.075 34 T CA -0.625 61.261 62.100 -0.357 0.000 1.005 34 T CB 1.289 70.094 68.868 -0.106 0.000 1.136 34 T HN 0.502 nan 8.240 nan 0.000 0.498 35 Y N 0.950 121.304 120.300 0.091 0.000 2.376 35 Y HA 0.468 5.018 4.550 -0.000 0.000 0.326 35 Y C 0.077 175.969 175.900 -0.014 0.000 0.970 35 Y CA -1.399 56.712 58.100 0.018 0.000 1.248 35 Y CB 0.985 39.471 38.460 0.043 0.000 1.117 35 Y HN 0.553 nan 8.280 nan 0.000 0.476 36 N N 2.777 121.508 118.700 0.050 0.000 2.408 36 N HA 0.571 5.310 4.740 -0.000 0.000 0.257 36 N C -0.582 174.685 175.510 -0.405 0.000 1.064 36 N CA -0.177 52.803 53.050 -0.116 0.000 0.952 36 N CB 1.609 40.103 38.487 0.011 0.000 1.093 36 N HN 0.707 nan 8.380 nan 0.000 0.490 37 A N 2.785 125.206 122.820 -0.664 0.000 2.350 37 A HA 0.706 5.025 4.320 -0.000 0.000 0.324 37 A C -1.385 175.743 177.584 -0.760 0.000 1.118 37 A CA -0.584 51.127 52.037 -0.544 0.000 0.783 37 A CB 0.814 19.623 19.000 -0.317 0.000 1.236 37 A HN 0.594 nan 8.150 nan 0.000 0.457 38 Y N 0.897 121.112 120.300 -0.140 0.000 2.376 38 Y HA 0.530 5.080 4.550 -0.000 0.000 0.340 38 Y C -0.325 175.484 175.900 -0.151 0.000 0.965 38 Y CA -0.653 57.380 58.100 -0.112 0.000 1.078 38 Y CB 2.059 40.455 38.460 -0.107 0.000 1.193 38 Y HN 0.616 nan 8.280 nan 0.000 0.452 39 L N 4.535 125.810 121.223 0.087 0.000 2.264 39 L HA 0.651 4.991 4.340 -0.000 0.000 0.289 39 L C -1.105 175.819 176.870 0.090 0.000 1.044 39 L CA -0.418 54.443 54.840 0.036 0.000 0.807 39 L CB 0.729 42.792 42.059 0.007 0.000 1.192 39 L HN 0.470 nan 8.230 nan 0.000 0.425 40 V N 4.532 124.454 119.914 0.013 0.000 2.435 40 V HA 0.385 4.505 4.120 -0.000 0.000 0.290 40 V C -0.524 175.595 176.094 0.040 0.000 1.030 40 V CA -0.482 61.844 62.300 0.044 0.000 0.881 40 V CB 1.413 33.228 31.823 -0.013 0.000 0.983 40 V HN 0.858 nan 8.190 nan 0.000 0.445 41 C N 4.804 124.148 119.300 0.073 0.000 2.356 41 C HA 0.727 5.187 4.460 -0.000 0.000 0.324 41 C C 1.087 176.105 174.990 0.047 0.000 1.167 41 C CA -0.712 58.334 59.018 0.048 0.000 1.420 41 C CB 0.147 27.917 27.740 0.049 0.000 2.036 41 C HN 1.070 nan 8.230 nan 0.000 0.435 42 G N 1.672 110.491 108.800 0.031 0.000 2.509 42 G HA2 0.274 4.233 3.960 -0.000 0.000 0.269 42 G HA3 0.274 4.233 3.960 -0.000 0.000 0.269 42 G C 0.349 175.263 174.900 0.024 0.000 1.416 42 G CA -0.019 45.097 45.100 0.027 0.000 1.052 42 G HN 0.605 nan 8.290 nan 0.000 0.542 43 D N -1.372 119.041 120.400 0.021 0.000 2.333 43 D HA 0.100 4.740 4.640 -0.000 0.000 0.208 43 D C 1.593 177.902 176.300 0.016 0.000 0.984 43 D CA 0.660 54.670 54.000 0.017 0.000 0.873 43 D CB 0.881 41.690 40.800 0.015 0.000 0.935 43 D HN 0.411 nan 8.370 nan 0.000 0.521 44 E N -0.677 119.537 120.200 0.024 0.000 2.414 44 E HA 0.285 4.635 4.350 -0.000 0.000 0.208 44 E C 0.406 177.023 176.600 0.028 0.000 0.820 44 E CA 0.129 56.544 56.400 0.026 0.000 1.143 44 E CB 1.150 30.874 29.700 0.039 0.000 1.150 44 E HN 0.092 nan 8.360 nan 0.000 0.540 45 G N 0.089 108.921 108.800 0.053 0.000 2.659 45 G HA2 0.536 4.496 3.960 -0.000 0.000 0.296 45 G HA3 0.536 4.496 3.960 -0.000 0.000 0.296 45 G C -1.340 173.596 174.900 0.060 0.000 1.369 45 G CA -0.312 44.828 45.100 0.068 0.000 0.937 45 G HN 0.278 nan 8.290 nan 0.000 0.485 46 V N -1.108 118.812 119.914 0.009 0.000 2.680 46 V HA 0.956 5.076 4.120 -0.000 0.000 0.309 46 V C -0.031 176.065 176.094 0.003 0.000 1.052 46 V CA -0.698 61.595 62.300 -0.011 0.000 0.908 46 V CB 1.389 33.167 31.823 -0.074 0.000 1.001 46 V HN 1.641 nan 8.190 nan 0.000 0.431 47 A N 4.672 127.496 122.820 0.007 0.000 2.350 47 A HA 0.870 5.190 4.320 -0.000 0.000 0.324 47 A C -0.965 176.593 177.584 -0.042 0.000 1.118 47 A CA -0.721 51.321 52.037 0.009 0.000 0.783 47 A CB 1.538 20.538 19.000 -0.000 0.000 1.236 47 A HN 1.499 nan 8.150 nan 0.000 0.457 48 L N 3.005 124.211 121.223 -0.028 0.000 2.272 48 L HA 0.591 4.930 4.340 -0.000 0.000 0.289 48 L C -0.859 176.003 176.870 -0.013 0.000 1.032 48 L CA -0.135 54.686 54.840 -0.032 0.000 0.810 48 L CB 0.600 42.655 42.059 -0.007 0.000 1.205 48 L HN 0.571 nan 8.230 nan 0.000 0.422 49 I N 5.919 126.451 120.570 -0.064 0.000 2.297 49 I HA 0.290 4.460 4.170 -0.000 0.000 0.291 49 I C -0.353 175.772 176.117 0.013 0.000 1.033 49 I CA -0.385 60.889 61.300 -0.043 0.000 1.253 49 I CB 0.368 38.230 38.000 -0.230 0.000 1.396 49 I HN 0.684 nan 8.210 nan 0.000 0.476 50 D N 4.162 124.603 120.400 0.069 0.000 10.448 50 D HA -0.200 4.439 4.640 -0.000 0.000 0.360 50 D C -0.493 175.840 176.300 0.054 0.000 3.024 50 D CA 0.831 54.884 54.000 0.088 0.000 2.424 50 D CB -0.096 40.752 40.800 0.080 0.000 1.149 50 D HN 0.784 nan 8.370 nan 0.000 1.024 51 N N -1.236 117.517 118.700 0.088 0.000 2.698 51 N HA 0.487 5.227 4.740 -0.000 0.000 0.186 51 N C -0.432 175.118 175.510 0.067 0.000 1.712 51 N CA 0.147 53.228 53.050 0.051 0.000 1.153 51 N CB 0.620 39.146 38.487 0.066 0.000 2.112 51 N HN 0.639 nan 8.380 nan 0.000 0.308 52 S N -2.107 113.612 115.700 0.031 0.000 2.656 52 S HA 0.398 4.867 4.470 -0.000 0.000 0.273 52 S C -1.284 173.215 174.600 -0.170 0.000 1.168 52 S CA -0.839 57.335 58.200 -0.043 0.000 0.817 52 S CB 0.967 64.181 63.200 0.024 0.000 1.146 52 S HN 0.452 nan 8.310 nan 0.000 0.475 53 Y N 3.286 123.222 120.300 -0.607 0.000 2.702 53 Y HA 0.258 4.808 4.550 -0.000 0.000 0.336 53 Y C -2.082 173.700 175.900 -0.197 0.000 1.235 53 Y CA -0.648 57.154 58.100 -0.497 0.000 1.492 53 Y CB 0.494 38.485 38.460 -0.781 0.000 1.308 53 Y HN 0.455 nan 8.280 nan 0.000 0.589 54 P HA 0.023 nan 4.420 nan 0.000 0.266 54 P C 0.438 177.792 177.300 0.089 0.000 1.193 54 P CA 1.462 64.502 63.100 -0.100 0.000 0.770 54 P CB 0.526 32.120 31.700 -0.175 0.000 0.836 55 G N 1.538 110.386 108.800 0.080 0.000 2.159 55 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.256 55 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.256 55 G C 0.476 175.455 174.900 0.132 0.000 0.977 55 G CA 0.536 45.704 45.100 0.113 0.000 0.652 55 G HN 0.792 nan 8.290 nan 0.000 0.531 56 T N -2.991 111.646 114.554 0.138 0.000 3.182 56 T HA 0.435 4.785 4.350 -0.000 0.000 0.277 56 T C 1.444 176.217 174.700 0.121 0.000 1.013 56 T CA 0.575 62.750 62.100 0.125 0.000 0.900 56 T CB -0.009 68.931 68.868 0.119 0.000 1.098 56 T HN 0.454 nan 8.240 nan 0.000 0.543 57 F N 2.689 122.633 119.950 -0.009 0.000 2.293 57 F HA 0.046 4.573 4.527 -0.000 0.000 0.300 57 F C 1.450 177.235 175.800 -0.026 0.000 1.086 57 F CA 0.911 58.892 58.000 -0.031 0.000 1.375 57 F CB -0.189 38.781 39.000 -0.050 0.000 1.045 57 F HN 0.102 nan 8.300 nan 0.000 0.516 58 D N 0.250 120.651 120.400 0.002 0.000 2.123 58 D HA -0.207 4.433 4.640 -0.000 0.000 0.196 58 D C 2.190 178.417 176.300 -0.121 0.000 0.992 58 D CA 1.536 55.493 54.000 -0.071 0.000 0.833 58 D CB -0.203 40.609 40.800 0.020 0.000 0.954 58 D HN 0.532 nan 8.370 nan 0.000 0.455 59 E N -0.320 119.836 120.200 -0.073 0.000 2.033 59 E HA -0.094 4.256 4.350 -0.000 0.000 0.189 59 E C 2.192 178.705 176.600 -0.145 0.000 0.979 59 E CA 0.188 56.548 56.400 -0.065 0.000 0.802 59 E CB -0.105 29.598 29.700 0.004 0.000 0.763 59 E HN 0.142 nan 8.360 nan 0.000 0.449 60 L N 0.546 121.662 121.223 -0.178 0.000 1.989 60 L HA -0.207 4.133 4.340 -0.000 0.000 0.211 60 L C 2.496 179.187 176.870 -0.298 0.000 1.071 60 L CA 1.850 56.551 54.840 -0.233 0.000 0.749 60 L CB -0.343 41.615 42.059 -0.169 0.000 0.890 60 L HN 0.291 nan 8.230 nan 0.000 0.431 61 M N -0.184 119.125 119.600 -0.484 0.000 2.159 61 M HA -0.073 4.406 4.480 -0.000 0.000 0.263 61 M C 2.212 178.341 176.300 -0.284 0.000 1.063 61 M CA 1.879 56.863 55.300 -0.527 0.000 1.110 61 M CB -0.911 31.043 32.600 -1.077 0.000 1.374 61 M HN 0.385 nan 8.290 nan 0.000 0.411 62 A N 0.101 122.784 122.820 -0.230 0.000 1.908 62 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 62 A C 2.294 179.817 177.584 -0.103 0.000 1.181 62 A CA 1.792 53.752 52.037 -0.129 0.000 0.627 62 A CB -0.601 18.348 19.000 -0.085 0.000 0.818 62 A HN 0.568 nan 8.150 nan 0.000 0.445 63 R N -0.638 119.785 120.500 -0.127 0.000 2.075 63 R HA -0.085 4.254 4.340 -0.000 0.000 0.232 63 R C 2.224 178.452 176.300 -0.119 0.000 1.126 63 R CA 1.537 57.567 56.100 -0.117 0.000 0.963 63 R CB -0.809 29.369 30.300 -0.203 0.000 0.858 63 R HN 0.594 nan 8.270 nan 0.000 0.435 64 V N 0.618 120.450 119.914 -0.138 0.000 2.548 64 V HA -0.118 4.002 4.120 -0.000 0.000 0.249 64 V C 1.835 177.875 176.094 -0.091 0.000 1.055 64 V CA 1.520 63.753 62.300 -0.111 0.000 1.065 64 V CB -0.169 31.606 31.823 -0.080 0.000 0.681 64 V HN 0.155 nan 8.190 nan 0.000 0.462 65 E N 0.694 120.850 120.200 -0.073 0.000 2.070 65 E HA -0.309 4.041 4.350 -0.000 0.000 0.197 65 E C 1.949 178.506 176.600 -0.072 0.000 1.004 65 E CA 2.167 58.534 56.400 -0.055 0.000 0.805 65 E CB -0.408 29.261 29.700 -0.051 0.000 0.744 65 E HN 0.857 nan 8.360 nan 0.000 0.451 66 D N 0.193 120.550 120.400 -0.071 0.000 2.144 66 D HA -0.095 4.544 4.640 -0.000 0.000 0.199 66 D C 1.870 178.093 176.300 -0.128 0.000 0.984 66 D CA 1.494 55.457 54.000 -0.063 0.000 0.834 66 D CB 0.030 40.819 40.800 -0.019 0.000 0.955 66 D HN 0.145 nan 8.370 nan 0.000 0.465 67 A N -0.083 122.621 122.820 -0.193 0.000 1.929 67 A HA -0.013 4.306 4.320 -0.000 0.000 0.216 67 A C 2.303 179.605 177.584 -0.469 0.000 1.176 67 A CA 0.680 52.443 52.037 -0.458 0.000 0.628 67 A CB -0.678 18.094 19.000 -0.379 0.000 0.816 67 A HN 0.337 nan 8.150 nan 0.000 0.444 68 L N -0.959 120.109 121.223 -0.259 0.000 2.131 68 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 68 L C 2.834 179.612 176.870 -0.153 0.000 1.092 68 L CA 1.620 56.346 54.840 -0.190 0.000 0.759 68 L CB -0.466 41.519 42.059 -0.124 0.000 0.903 68 L HN 0.546 nan 8.230 nan 0.000 0.435 69 Q N -0.171 119.550 119.800 -0.131 0.000 2.119 69 Q HA -0.222 4.118 4.340 -0.000 0.000 0.201 69 Q C 2.169 178.119 176.000 -0.084 0.000 0.972 69 Q CA 1.328 57.080 55.803 -0.085 0.000 0.847 69 Q CB 0.158 28.862 28.738 -0.056 0.000 0.903 69 Q HN 0.562 nan 8.270 nan 0.000 0.433 70 Q N -1.081 118.640 119.800 -0.131 0.000 2.245 70 Q HA -0.042 4.297 4.340 -0.000 0.000 0.201 70 Q C 1.719 177.681 176.000 -0.063 0.000 0.955 70 Q CA 1.003 56.761 55.803 -0.075 0.000 0.870 70 Q CB 0.509 29.224 28.738 -0.038 0.000 0.945 70 Q HN 0.191 nan 8.270 nan 0.000 0.461 71 V N -0.682 119.142 119.914 -0.150 0.000 3.590 71 V HA 0.150 4.270 4.120 -0.000 0.000 0.265 71 V C 1.158 177.223 176.094 -0.050 0.000 1.239 71 V CA 0.857 63.112 62.300 -0.075 0.000 1.117 71 V CB 0.156 31.913 31.823 -0.109 0.000 0.818 71 V HN 0.536 nan 8.190 nan 0.000 0.451 72 G N 0.796 109.559 108.800 -0.062 0.000 2.160 72 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.244 72 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.244 72 G C -0.005 174.868 174.900 -0.044 0.000 1.022 72 G CA 0.293 45.368 45.100 -0.041 0.000 0.741 72 G HN 0.300 nan 8.290 nan 0.000 0.508 73 M N -0.344 119.218 119.600 -0.064 0.000 2.444 73 M HA 0.435 4.915 4.480 -0.000 0.000 0.319 73 M C 1.231 177.492 176.300 -0.065 0.000 1.183 73 M CA -0.687 54.573 55.300 -0.066 0.000 1.032 73 M CB 0.980 33.529 32.600 -0.085 0.000 1.569 73 M HN 0.036 nan 8.290 nan 0.000 0.468 74 E N 1.821 121.984 120.200 -0.061 0.000 2.033 74 E HA 0.017 4.367 4.350 -0.000 0.000 0.189 74 E C 0.453 177.021 176.600 -0.054 0.000 0.979 74 E CA 1.016 57.388 56.400 -0.046 0.000 0.802 74 E CB 0.275 29.953 29.700 -0.036 0.000 0.763 74 E HN 0.637 nan 8.360 nan 0.000 0.449 75 R N -0.805 119.624 120.500 -0.119 0.000 2.734 75 R HA 0.442 4.781 4.340 -0.000 0.000 0.271 75 R C -0.855 175.174 176.300 -0.452 0.000 1.021 75 R CA -0.690 55.272 56.100 -0.230 0.000 0.893 75 R CB 0.936 31.171 30.300 -0.109 0.000 1.244 75 R HN -0.200 nan 8.270 nan 0.000 0.464 76 V N 2.489 121.831 119.914 -0.954 0.000 2.479 76 V HA 0.012 4.131 4.120 -0.000 0.000 0.281 76 V C 0.420 176.144 176.094 -0.617 0.000 1.031 76 V CA 0.377 62.177 62.300 -0.833 0.000 1.038 76 V CB 0.858 32.043 31.823 -1.064 0.000 0.981 76 V HN 0.772 nan 8.190 nan 0.000 0.478 77 D N 2.808 122.965 120.400 -0.404 0.000 2.262 77 D HA 0.065 4.705 4.640 -0.000 0.000 0.212 77 D C -0.193 175.706 176.300 -0.669 0.000 0.964 77 D CA 1.233 54.923 54.000 -0.516 0.000 0.875 77 D CB 0.440 40.919 40.800 -0.535 0.000 0.996 77 D HN 0.576 nan 8.370 nan 0.000 0.497 78 Y N 0.043 120.305 120.300 -0.063 0.000 2.442 78 Y HA 0.464 5.014 4.550 -0.000 0.000 0.344 78 Y C -0.077 175.832 175.900 0.014 0.000 0.976 78 Y CA -0.803 57.301 58.100 0.008 0.000 1.040 78 Y CB 1.895 40.297 38.460 -0.097 0.000 1.228 78 Y HN -0.313 nan 8.280 nan 0.000 0.451 79 I N 4.854 125.573 120.570 0.248 0.000 2.378 79 I HA 0.462 4.632 4.170 -0.000 0.000 0.291 79 I C -0.770 175.493 176.117 0.243 0.000 0.992 79 I CA -0.540 60.874 61.300 0.191 0.000 1.154 79 I CB 1.317 39.419 38.000 0.171 0.000 1.315 79 I HN 0.454 nan 8.210 nan 0.000 0.448 80 I N 5.800 126.486 120.570 0.194 0.000 2.433 80 I HA 0.274 4.444 4.170 -0.000 0.000 0.292 80 I C -0.425 175.813 176.117 0.202 0.000 1.001 80 I CA -0.552 60.887 61.300 0.231 0.000 1.119 80 I CB 1.572 39.714 38.000 0.237 0.000 1.289 80 I HN 0.439 nan 8.210 nan 0.000 0.438 81 Q N 5.072 125.002 119.800 0.216 0.000 2.394 81 Q HA 0.338 4.677 4.340 -0.000 0.000 0.259 81 Q C -0.129 176.009 176.000 0.230 0.000 1.021 81 Q CA -0.160 55.771 55.803 0.213 0.000 0.805 81 Q CB 1.496 30.363 28.738 0.215 0.000 1.226 81 Q HN 0.622 nan 8.270 nan 0.000 0.476 82 N N 0.678 119.526 118.700 0.247 0.000 2.416 82 N HA -0.077 4.663 4.740 -0.000 0.000 0.177 82 N C -0.302 175.409 175.510 0.335 0.000 1.036 82 N CA 0.583 53.800 53.050 0.277 0.000 0.901 82 N CB 0.320 38.965 38.487 0.263 0.000 0.976 82 N HN 0.377 nan 8.380 nan 0.000 0.444 83 H N -1.591 117.591 119.070 0.187 0.000 3.079 83 H HA 0.176 4.732 4.556 -0.000 0.000 0.356 83 H C 0.104 175.568 175.328 0.226 0.000 1.221 83 H CA -1.057 55.117 56.048 0.210 0.000 1.185 83 H CB 1.190 31.065 29.762 0.188 0.000 1.882 83 H HN -0.164 nan 8.280 nan 0.000 0.543 84 V N -0.322 119.623 119.914 0.052 0.000 3.354 84 V HA 0.245 4.365 4.120 -0.000 0.000 0.258 84 V C 0.750 176.793 176.094 -0.086 0.000 1.159 84 V CA 0.209 62.529 62.300 0.033 0.000 1.125 84 V CB -0.157 31.715 31.823 0.082 0.000 0.774 84 V HN 0.614 nan 8.190 nan 0.000 0.464 85 E N 2.066 122.134 120.200 -0.219 0.000 2.966 85 E HA -0.161 4.189 4.350 -0.000 0.000 0.254 85 E C 1.243 177.794 176.600 -0.082 0.000 0.923 85 E CA 0.627 56.910 56.400 -0.195 0.000 0.960 85 E CB 0.596 30.116 29.700 -0.300 0.000 0.901 85 E HN 0.598 nan 8.360 nan 0.000 0.525 86 K N 3.315 123.674 120.400 -0.069 0.000 2.148 86 K HA -0.281 4.039 4.320 -0.000 0.000 0.213 86 K C 1.094 177.568 176.600 -0.209 0.000 1.050 86 K CA 2.344 58.558 56.287 -0.122 0.000 0.932 86 K CB 0.044 32.485 32.500 -0.099 0.000 0.717 86 K HN 0.483 nan 8.250 nan 0.000 0.462 87 D N -1.354 118.949 120.400 -0.162 0.000 2.347 87 D HA -0.150 4.490 4.640 -0.000 0.000 0.215 87 D C 1.102 177.135 176.300 -0.445 0.000 0.976 87 D CA 1.149 54.975 54.000 -0.289 0.000 0.884 87 D CB -0.210 40.562 40.800 -0.046 0.000 0.915 87 D HN 0.445 nan 8.370 nan 0.000 0.526 88 H N -0.556 118.550 119.070 0.060 0.000 2.874 88 H HA 0.254 4.810 4.556 -0.000 0.000 0.264 88 H C 0.928 176.283 175.328 0.045 0.000 1.007 88 H CA 0.844 56.934 56.048 0.070 0.000 1.207 88 H CB 0.713 30.560 29.762 0.142 0.000 1.487 88 H HN 0.286 nan 8.280 nan 0.000 0.505 89 S N -0.603 115.151 115.700 0.090 0.000 2.846 89 S HA 0.195 4.665 4.470 -0.000 0.000 0.249 89 S C 1.802 176.406 174.600 0.005 0.000 1.028 89 S CA 0.106 58.354 58.200 0.080 0.000 1.043 89 S CB 0.232 63.522 63.200 0.149 0.000 0.990 89 S HN 0.241 nan 8.310 nan 0.000 0.564 90 G N 1.660 110.429 108.800 -0.051 0.000 2.598 90 G HA2 0.079 4.039 3.960 -0.000 0.000 0.215 90 G HA3 0.079 4.039 3.960 -0.000 0.000 0.215 90 G C 1.013 175.827 174.900 -0.144 0.000 1.131 90 G CA 1.039 46.079 45.100 -0.100 0.000 0.785 90 G HN 1.161 nan 8.290 nan 0.000 0.539 91 V N -2.026 117.819 119.914 -0.116 0.000 3.159 91 V HA 0.420 4.540 4.120 -0.000 0.000 0.333 91 V C 1.775 177.776 176.094 -0.155 0.000 1.424 91 V CA -0.251 61.985 62.300 -0.106 0.000 1.125 91 V CB 0.267 32.156 31.823 0.110 0.000 1.075 91 V HN 0.071 nan 8.190 nan 0.000 0.482 92 L N 0.741 121.823 121.223 -0.235 0.000 2.012 92 L HA -0.041 4.299 4.340 -0.000 0.000 0.210 92 L C 2.458 179.191 176.870 -0.228 0.000 1.073 92 L CA 2.622 57.346 54.840 -0.193 0.000 0.748 92 L CB -0.427 41.505 42.059 -0.212 0.000 0.891 92 L HN 0.256 nan 8.230 nan 0.000 0.431 93 V N -0.139 119.543 119.914 -0.386 0.000 2.392 93 V HA -0.304 3.816 4.120 -0.000 0.000 0.249 93 V C 2.366 178.303 176.094 -0.261 0.000 1.059 93 V CA 2.372 64.506 62.300 -0.276 0.000 1.051 93 V CB -0.374 31.271 31.823 -0.296 0.000 0.658 93 V HN 0.698 nan 8.190 nan 0.000 0.455 94 E N -0.337 119.614 120.200 -0.415 0.000 2.152 94 E HA -0.130 4.220 4.350 -0.000 0.000 0.192 94 E C 2.246 178.456 176.600 -0.650 0.000 0.983 94 E CA 1.187 57.152 56.400 -0.725 0.000 0.818 94 E CB -0.159 28.759 29.700 -1.303 0.000 0.758 94 E HN 0.555 nan 8.360 nan 0.000 0.467 95 L N 0.831 121.883 121.223 -0.285 0.000 2.017 95 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 95 L C 2.798 179.668 176.870 -0.001 0.000 1.073 95 L CA 1.303 56.157 54.840 0.024 0.000 0.745 95 L CB -0.499 41.666 42.059 0.177 0.000 0.894 95 L HN 0.318 nan 8.230 nan 0.000 0.432 96 H N 0.039 119.043 119.070 -0.109 0.000 2.423 96 H HA -0.169 4.387 4.556 -0.000 0.000 0.297 96 H C 2.388 177.641 175.328 -0.125 0.000 1.075 96 H CA 1.310 57.306 56.048 -0.087 0.000 1.342 96 H CB 0.295 29.987 29.762 -0.117 0.000 1.395 96 H HN 0.207 nan 8.280 nan 0.000 0.530 97 R N 0.316 120.658 120.500 -0.264 0.000 2.115 97 R HA -0.107 4.232 4.340 -0.000 0.000 0.226 97 R C 2.442 178.551 176.300 -0.318 0.000 1.100 97 R CA 0.965 56.882 56.100 -0.306 0.000 0.980 97 R CB 0.007 30.151 30.300 -0.261 0.000 0.875 97 R HN 0.140 nan 8.270 nan 0.000 0.445 98 R N -0.158 120.107 120.500 -0.391 0.000 2.073 98 R HA -0.042 4.297 4.340 -0.000 0.000 0.229 98 R C -0.200 175.667 176.300 -0.721 0.000 1.120 98 R CA 1.342 57.087 56.100 -0.591 0.000 0.967 98 R CB 0.072 29.949 30.300 -0.705 0.000 0.862 98 R HN 0.041 nan 8.270 nan 0.000 0.436 99 F N 1.015 120.926 119.950 -0.065 0.000 2.550 99 F HA 0.415 4.942 4.527 -0.000 0.000 0.348 99 F C -1.725 173.988 175.800 -0.145 0.000 1.219 99 F CA -2.914 55.039 58.000 -0.079 0.000 1.203 99 F CB 1.794 40.772 39.000 -0.037 0.000 1.436 99 F HN -0.006 nan 8.300 nan 0.000 0.541 100 P HA -0.144 nan 4.420 nan 0.000 0.222 100 P C 0.795 178.054 177.300 -0.068 0.000 1.147 100 P CA 1.280 64.236 63.100 -0.240 0.000 0.790 100 P CB 0.491 32.070 31.700 -0.202 0.000 0.780 101 E N -0.461 119.737 120.200 -0.003 0.000 2.476 101 E HA 0.240 4.589 4.350 -0.000 0.000 0.191 101 E C 0.628 177.225 176.600 -0.005 0.000 1.064 101 E CA -0.179 56.220 56.400 -0.002 0.000 0.866 101 E CB -0.448 29.239 29.700 -0.022 0.000 0.952 101 E HN 0.200 nan 8.360 nan 0.000 0.492 102 A N 1.904 124.751 122.820 0.044 0.000 2.301 102 A HA 0.524 4.844 4.320 -0.000 0.000 0.298 102 A C -2.409 175.239 177.584 0.107 0.000 1.185 102 A CA -1.478 50.581 52.037 0.037 0.000 0.830 102 A CB 0.298 19.344 19.000 0.077 0.000 1.112 102 A HN -0.083 nan 8.150 nan 0.000 0.508 103 P HA 0.465 nan 4.420 nan 0.000 0.281 103 P C -0.864 176.548 177.300 0.188 0.000 1.249 103 P CA -0.269 62.912 63.100 0.136 0.000 0.810 103 P CB 0.696 32.525 31.700 0.214 0.000 1.008 104 I N 2.198 122.762 120.570 -0.010 0.000 2.306 104 I HA 0.245 4.415 4.170 -0.000 0.000 0.288 104 I C -0.202 176.005 176.117 0.150 0.000 1.036 104 I CA -0.604 60.742 61.300 0.077 0.000 1.221 104 I CB 0.003 37.941 38.000 -0.103 0.000 1.385 104 I HN 0.264 nan 8.210 nan 0.000 0.472 105 Y N 6.185 126.534 120.300 0.082 0.000 2.452 105 Y HA 0.425 4.975 4.550 -0.000 0.000 0.348 105 Y C 0.639 176.506 175.900 -0.055 0.000 0.985 105 Y CA -0.356 57.726 58.100 -0.030 0.000 1.214 105 Y CB 0.812 39.214 38.460 -0.097 0.000 1.136 105 Y HN 0.723 nan 8.280 nan 0.000 0.523 106 C N -0.402 118.909 119.300 0.018 0.000 3.332 106 C HA 0.722 5.182 4.460 -0.000 0.000 0.329 106 C C 0.228 175.194 174.990 -0.041 0.000 1.434 106 C CA -1.122 57.913 59.018 0.028 0.000 1.314 106 C CB 0.884 28.697 27.740 0.123 0.000 1.664 106 C HN 0.802 nan 8.230 nan 0.000 0.457 107 T N -1.514 113.039 114.554 -0.001 0.000 2.860 107 T HA 0.278 4.628 4.350 -0.000 0.000 0.299 107 T C 0.740 175.418 174.700 -0.037 0.000 1.045 107 T CA 0.435 62.528 62.100 -0.012 0.000 1.071 107 T CB 0.609 69.495 68.868 0.030 0.000 0.985 107 T HN 0.851 nan 8.240 nan 0.000 0.537 108 E N 0.225 120.397 120.200 -0.045 0.000 2.070 108 E HA -0.147 4.203 4.350 -0.000 0.000 0.197 108 E C 2.194 178.751 176.600 -0.073 0.000 1.004 108 E CA 1.467 57.827 56.400 -0.068 0.000 0.805 108 E CB -0.360 29.309 29.700 -0.052 0.000 0.744 108 E HN 0.569 nan 8.360 nan 0.000 0.451 109 V N 1.219 121.109 119.914 -0.039 0.000 2.252 109 V HA -0.342 3.778 4.120 -0.000 0.000 0.249 109 V C 2.349 178.425 176.094 -0.031 0.000 1.056 109 V CA 1.976 64.257 62.300 -0.032 0.000 1.022 109 V CB -1.012 30.809 31.823 -0.003 0.000 0.641 109 V HN 0.400 nan 8.190 nan 0.000 0.445 110 A N -0.341 122.482 122.820 0.004 0.000 2.084 110 A HA -0.180 4.139 4.320 -0.000 0.000 0.221 110 A C 2.364 179.916 177.584 -0.053 0.000 1.161 110 A CA 2.160 54.214 52.037 0.028 0.000 0.653 110 A CB -0.739 18.312 19.000 0.086 0.000 0.802 110 A HN 0.379 nan 8.150 nan 0.000 0.457 111 V N 0.237 120.046 119.914 -0.175 0.000 2.237 111 V HA -0.253 3.867 4.120 -0.000 0.000 0.245 111 V C 2.562 178.471 176.094 -0.308 0.000 1.046 111 V CA 2.192 64.238 62.300 -0.423 0.000 1.007 111 V CB -0.574 30.930 31.823 -0.532 0.000 0.638 111 V HN 0.455 nan 8.190 nan 0.000 0.445 112 K N 0.478 120.761 120.400 -0.195 0.000 2.057 112 K HA -0.122 4.198 4.320 -0.000 0.000 0.207 112 K C 2.241 178.789 176.600 -0.087 0.000 1.049 112 K CA 1.586 57.792 56.287 -0.135 0.000 0.931 112 K CB -1.052 31.381 32.500 -0.111 0.000 0.714 112 K HN 0.559 nan 8.250 nan 0.000 0.440 113 G N 1.559 110.331 108.800 -0.047 0.000 2.421 113 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.216 113 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.216 113 G C 1.567 176.558 174.900 0.152 0.000 1.171 113 G CA 0.433 45.552 45.100 0.031 0.000 0.775 113 G HN 0.137 nan 8.290 nan 0.000 0.543 114 L N 0.144 121.431 121.223 0.107 0.000 1.989 114 L HA 0.032 4.372 4.340 -0.000 0.000 0.211 114 L C 2.691 179.663 176.870 0.170 0.000 1.071 114 L CA 1.122 56.074 54.840 0.186 0.000 0.749 114 L CB -0.625 41.547 42.059 0.188 0.000 0.890 114 L HN 0.065 nan 8.230 nan 0.000 0.431 115 L N -0.780 120.476 121.223 0.054 0.000 2.131 115 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 115 L C 2.495 179.360 176.870 -0.008 0.000 1.092 115 L CA 1.478 56.349 54.840 0.052 0.000 0.759 115 L CB -1.247 40.798 42.059 -0.023 0.000 0.903 115 L HN 0.293 nan 8.230 nan 0.000 0.435 116 K N -0.727 119.627 120.400 -0.076 0.000 2.057 116 K HA -0.157 4.163 4.320 -0.000 0.000 0.206 116 K C 2.129 178.557 176.600 -0.286 0.000 1.050 116 K CA 1.359 57.539 56.287 -0.179 0.000 0.935 116 K CB -0.176 32.181 32.500 -0.239 0.000 0.715 116 K HN 0.367 nan 8.250 nan 0.000 0.439 117 H N -1.992 116.878 119.070 -0.333 0.000 2.353 117 H HA -0.055 4.500 4.556 -0.000 0.000 0.300 117 H C -0.160 174.684 175.328 -0.807 0.000 1.090 117 H CA 1.839 57.470 56.048 -0.696 0.000 1.327 117 H CB 0.067 29.169 29.762 -1.101 0.000 1.383 117 H HN 0.121 nan 8.280 nan 0.000 0.508 118 Y N -1.762 118.613 120.300 0.125 0.000 2.609 118 Y HA 0.282 4.832 4.550 -0.000 0.000 0.350 118 Y C -2.102 173.830 175.900 0.053 0.000 1.050 118 Y CA -2.886 55.256 58.100 0.070 0.000 1.290 118 Y CB 1.136 39.636 38.460 0.066 0.000 1.094 118 Y HN -0.015 nan 8.280 nan 0.000 0.583 119 P HA -0.191 nan 4.420 nan 0.000 0.221 119 P C 1.596 178.948 177.300 0.088 0.000 1.145 119 P CA 1.874 65.019 63.100 0.075 0.000 0.795 119 P CB 0.286 32.006 31.700 0.033 0.000 0.775 120 S N -1.267 114.495 115.700 0.103 0.000 2.555 120 S HA -0.018 4.452 4.470 -0.000 0.000 0.230 120 S C 1.337 175.981 174.600 0.074 0.000 0.978 120 S CA 0.497 58.742 58.200 0.076 0.000 0.934 120 S CB -1.238 61.999 63.200 0.061 0.000 0.766 120 S HN 0.129 nan 8.310 nan 0.000 0.533 121 L N 1.603 122.887 121.223 0.102 0.000 2.728 121 L HA 0.282 4.622 4.340 -0.000 0.000 0.235 121 L C 2.336 179.282 176.870 0.126 0.000 1.197 121 L CA -0.306 54.571 54.840 0.062 0.000 0.992 121 L CB -0.203 41.925 42.059 0.115 0.000 1.263 121 L HN 0.420 nan 8.230 nan 0.000 0.484 122 R N -0.014 120.551 120.500 0.108 0.000 2.081 122 R HA -0.127 4.212 4.340 -0.000 0.000 0.235 122 R C 1.123 177.477 176.300 0.090 0.000 1.131 122 R CA 1.198 57.363 56.100 0.108 0.000 0.960 122 R CB -0.310 30.029 30.300 0.066 0.000 0.856 122 R HN 0.351 nan 8.270 nan 0.000 0.436 123 E N 1.066 121.299 120.200 0.054 0.000 2.437 123 E HA 0.192 4.541 4.350 -0.000 0.000 0.189 123 E C -0.093 176.512 176.600 0.008 0.000 1.054 123 E CA -0.097 56.329 56.400 0.042 0.000 0.874 123 E CB 0.688 30.416 29.700 0.047 0.000 1.011 123 E HN 0.420 nan 8.360 nan 0.000 0.474 124 A N 1.573 124.328 122.820 -0.107 0.000 2.346 124 A HA 0.118 4.438 4.320 -0.000 0.000 0.252 124 A C 0.163 177.548 177.584 -0.331 0.000 1.089 124 A CA -0.191 51.604 52.037 -0.402 0.000 0.797 124 A CB 0.508 18.980 19.000 -0.880 0.000 1.047 124 A HN 0.124 nan 8.150 nan 0.000 0.494 125 E N 0.477 120.453 120.200 -0.374 0.000 2.113 125 E HA 0.467 4.817 4.350 -0.000 0.000 0.273 125 E C -1.757 174.621 176.600 -0.370 0.000 0.924 125 E CA -0.191 56.075 56.400 -0.223 0.000 0.764 125 E CB 0.508 30.167 29.700 -0.069 0.000 1.104 125 E HN 0.445 nan 8.360 nan 0.000 0.406 126 F N 3.770 123.672 119.950 -0.080 0.000 2.415 126 F HA 0.334 4.861 4.527 -0.000 0.000 0.348 126 F C 0.378 176.061 175.800 -0.195 0.000 1.119 126 F CA -0.986 56.944 58.000 -0.118 0.000 1.069 126 F CB 1.379 40.324 39.000 -0.092 0.000 1.124 126 F HN 0.387 nan 8.300 nan 0.000 0.472 127 M N 3.544 123.024 119.600 -0.200 0.000 2.061 127 M HA 0.293 4.773 4.480 -0.000 0.000 0.346 127 M C -0.306 175.780 176.300 -0.357 0.000 1.112 127 M CA -0.024 55.002 55.300 -0.455 0.000 1.021 127 M CB 0.746 32.651 32.600 -1.159 0.000 1.530 127 M HN 0.451 nan 8.290 nan 0.000 0.437 128 T N 5.248 119.690 114.554 -0.187 0.000 2.851 128 T HA 0.537 4.886 4.350 -0.000 0.000 0.298 128 T C -0.706 173.908 174.700 -0.144 0.000 0.977 128 T CA -0.281 61.740 62.100 -0.132 0.000 1.126 128 T CB -0.051 68.770 68.868 -0.080 0.000 0.916 128 T HN 0.610 nan 8.240 nan 0.000 0.529 129 V N 2.534 122.354 119.914 -0.157 0.000 2.735 129 V HA 0.834 4.954 4.120 -0.000 0.000 0.310 129 V C -0.428 175.636 176.094 -0.050 0.000 1.061 129 V CA -1.249 60.962 62.300 -0.147 0.000 0.913 129 V CB 1.829 33.363 31.823 -0.481 0.000 1.005 129 V HN 0.917 nan 8.190 nan 0.000 0.428 130 K N 1.469 121.888 120.400 0.033 0.000 2.312 130 K HA 0.646 4.966 4.320 -0.000 0.000 0.236 130 K C -0.295 176.383 176.600 0.130 0.000 1.079 130 K CA -0.657 55.668 56.287 0.064 0.000 0.900 130 K CB 1.461 33.987 32.500 0.044 0.000 1.297 130 K HN 0.537 nan 8.250 nan 0.000 0.498 131 T N 0.400 115.017 114.554 0.104 0.000 2.817 131 T HA 0.297 4.646 4.350 -0.000 0.000 0.295 131 T C 0.950 175.717 174.700 0.112 0.000 0.958 131 T CA 1.082 63.251 62.100 0.115 0.000 1.157 131 T CB 0.197 69.107 68.868 0.070 0.000 0.898 131 T HN 0.906 nan 8.240 nan 0.000 0.536 132 G N 3.952 112.831 108.800 0.132 0.000 2.313 132 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.215 132 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.215 132 G C -0.015 174.959 174.900 0.123 0.000 1.023 132 G CA -0.411 44.750 45.100 0.102 0.000 0.626 132 G HN 0.648 nan 8.290 nan 0.000 0.503 133 D N 0.913 121.423 120.400 0.183 0.000 2.474 133 D HA 0.398 5.038 4.640 -0.000 0.000 0.232 133 D C 0.925 177.384 176.300 0.266 0.000 1.177 133 D CA 1.292 55.434 54.000 0.237 0.000 0.876 133 D CB 1.431 42.405 40.800 0.291 0.000 1.208 133 D HN 1.181 nan 8.370 nan 0.000 0.464 134 V N -0.973 119.067 119.914 0.210 0.000 2.962 134 V HA 0.695 4.815 4.120 -0.000 0.000 0.313 134 V C -0.853 175.304 176.094 0.105 0.000 1.099 134 V CA -1.143 61.202 62.300 0.075 0.000 0.971 134 V CB 2.009 33.842 31.823 0.017 0.000 1.028 134 V HN 0.317 nan 8.190 nan 0.000 0.430 135 L N 2.157 123.347 121.223 -0.055 0.000 2.471 135 L HA 0.697 5.037 4.340 -0.000 0.000 0.263 135 L C -0.724 176.035 176.870 -0.186 0.000 0.985 135 L CA 0.155 54.907 54.840 -0.147 0.000 0.868 135 L CB 1.097 42.973 42.059 -0.305 0.000 1.203 135 L HN 0.929 nan 8.230 nan 0.000 0.429 136 D N 2.829 123.156 120.400 -0.123 0.000 2.341 136 D HA 0.339 4.979 4.640 -0.000 0.000 0.245 136 D C 0.543 176.795 176.300 -0.080 0.000 1.106 136 D CA 0.161 54.111 54.000 -0.083 0.000 0.905 136 D CB 1.122 41.900 40.800 -0.036 0.000 1.202 136 D HN 0.647 nan 8.370 nan 0.000 0.426 137 L N 2.056 123.255 121.223 -0.040 0.000 2.906 137 L HA 0.398 4.738 4.340 -0.000 0.000 0.255 137 L C 0.629 177.513 176.870 0.025 0.000 1.166 137 L CA -0.123 54.722 54.840 0.008 0.000 0.977 137 L CB 0.262 42.325 42.059 0.007 0.000 1.313 137 L HN 0.700 nan 8.230 nan 0.000 0.549 138 G N 0.040 108.848 108.800 0.013 0.000 3.110 138 G HA2 0.100 4.060 3.960 -0.000 0.000 0.506 138 G HA3 0.100 4.060 3.960 -0.000 0.000 0.506 138 G C 0.727 175.632 174.900 0.010 0.000 1.077 138 G CA -0.083 45.026 45.100 0.015 0.000 0.960 138 G HN 0.562 nan 8.290 nan 0.000 0.434 139 G N 0.551 109.353 108.800 0.004 0.000 2.184 139 G HA2 -0.202 3.757 3.960 -0.000 0.000 0.264 139 G HA3 -0.202 3.757 3.960 -0.000 0.000 0.264 139 G C 0.278 175.178 174.900 -0.001 0.000 0.975 139 G CA 1.339 46.440 45.100 0.002 0.000 0.642 139 G HN 1.422 nan 8.290 nan 0.000 0.536 140 K N -0.120 120.276 120.400 -0.006 0.000 2.513 140 K HA 0.582 4.902 4.320 -0.000 0.000 0.251 140 K C -1.022 175.558 176.600 -0.033 0.000 0.939 140 K CA -0.263 56.017 56.287 -0.012 0.000 0.793 140 K CB 2.310 34.812 32.500 0.003 0.000 1.241 140 K HN 0.191 nan 8.250 nan 0.000 0.431 141 T N 2.433 116.960 114.554 -0.046 0.000 2.848 141 T HA 0.504 4.854 4.350 -0.000 0.000 0.285 141 T C -1.370 173.261 174.700 -0.116 0.000 0.995 141 T CA -0.721 61.331 62.100 -0.080 0.000 0.970 141 T CB 0.639 69.468 68.868 -0.065 0.000 0.976 141 T HN 0.223 nan 8.240 nan 0.000 0.441 142 L N 4.883 125.986 121.223 -0.201 0.000 2.272 142 L HA 0.508 4.848 4.340 -0.000 0.000 0.289 142 L C 0.653 177.206 176.870 -0.528 0.000 1.032 142 L CA 0.021 54.659 54.840 -0.337 0.000 0.810 142 L CB 1.515 43.322 42.059 -0.420 0.000 1.205 142 L HN 0.784 nan 8.230 nan 0.000 0.422 143 T N 3.570 117.872 114.554 -0.420 0.000 2.867 143 T HA 0.618 4.968 4.350 -0.000 0.000 0.282 143 T C -0.405 174.039 174.700 -0.427 0.000 1.000 143 T CA -0.236 61.658 62.100 -0.343 0.000 1.042 143 T CB 0.638 69.444 68.868 -0.104 0.000 0.973 143 T HN 0.071 nan 8.240 nan 0.000 0.465 144 F N 2.150 122.161 119.950 0.101 0.000 2.443 144 F HA 0.645 5.172 4.527 -0.000 0.000 0.335 144 F C -0.172 175.693 175.800 0.109 0.000 1.104 144 F CA -1.264 56.812 58.000 0.127 0.000 1.013 144 F CB 1.304 40.381 39.000 0.129 0.000 1.136 144 F HN 0.293 nan 8.300 nan 0.000 0.470 145 L N 3.204 124.602 121.223 0.291 0.000 2.372 145 L HA 0.484 4.823 4.340 -0.000 0.000 0.274 145 L C -0.683 176.235 176.870 0.079 0.000 0.988 145 L CA -0.347 54.591 54.840 0.162 0.000 0.833 145 L CB 1.335 43.481 42.059 0.144 0.000 1.236 145 L HN 0.565 nan 8.230 nan 0.000 0.410 146 E N 2.692 122.922 120.200 0.050 0.000 2.376 146 E HA 0.270 4.619 4.350 -0.000 0.000 0.266 146 E C -0.220 176.317 176.600 -0.105 0.000 1.009 146 E CA 0.306 56.706 56.400 0.001 0.000 0.902 146 E CB 0.531 30.243 29.700 0.020 0.000 0.972 146 E HN 0.638 nan 8.360 nan 0.000 0.439 147 T N 0.763 115.220 114.554 -0.162 0.000 3.466 147 T HA 0.273 4.623 4.350 -0.000 0.000 0.297 147 T C -2.537 172.103 174.700 -0.099 0.000 1.640 147 T CA -2.294 59.658 62.100 -0.246 0.000 1.631 147 T CB 0.407 68.903 68.868 -0.620 0.000 0.928 147 T HN 0.137 nan 8.240 nan 0.000 0.688 148 P HA 0.195 nan 4.420 nan 0.000 0.269 148 P C 0.822 178.129 177.300 0.012 0.000 1.209 148 P CA -0.102 63.004 63.100 0.011 0.000 0.776 148 P CB 0.589 32.290 31.700 0.002 0.000 0.876 149 L N -0.475 120.781 121.223 0.056 0.000 4.001 149 L HA -0.218 4.122 4.340 -0.000 0.000 0.413 149 L C 0.131 177.032 176.870 0.052 0.000 1.185 149 L CA 0.440 55.312 54.840 0.053 0.000 0.963 149 L CB -1.690 40.374 42.059 0.008 0.000 1.976 149 L HN 0.393 nan 8.230 nan 0.000 0.939 150 L N -1.430 119.837 121.223 0.073 0.000 2.392 150 L HA 0.207 4.547 4.340 -0.000 0.000 0.262 150 L C 1.042 177.965 176.870 0.088 0.000 1.498 150 L CA -0.195 54.683 54.840 0.063 0.000 0.820 150 L CB 0.437 42.481 42.059 -0.025 0.000 0.990 150 L HN 0.173 nan 8.230 nan 0.000 0.520 151 H N 1.094 120.129 119.070 -0.059 0.000 2.343 151 H HA 0.028 4.584 4.556 -0.000 0.000 0.303 151 H C -0.182 175.321 175.328 0.291 0.000 1.068 151 H CA 0.969 57.026 56.048 0.014 0.000 1.359 151 H CB 0.457 30.129 29.762 -0.150 0.000 1.402 151 H HN 0.356 nan 8.280 nan 0.000 0.515 152 W N -0.378 121.033 121.300 0.184 0.000 2.758 152 W HA 0.280 4.940 4.660 -0.000 0.000 0.355 152 W C -1.569 174.992 176.519 0.072 0.000 1.223 152 W CA -2.797 54.605 57.345 0.094 0.000 1.182 152 W CB -0.280 29.300 29.460 0.199 0.000 1.464 152 W HN -0.033 nan 8.180 nan 0.000 0.630 153 P HA -0.176 nan 4.420 nan 0.000 0.218 153 P C 0.482 177.863 177.300 0.136 0.000 1.146 153 P CA 2.093 65.254 63.100 0.102 0.000 0.813 153 P CB 0.111 31.811 31.700 0.000 0.000 0.778 154 D N -2.709 117.829 120.400 0.231 0.000 2.325 154 D HA 0.046 4.686 4.640 -0.000 0.000 0.225 154 D C 0.146 176.612 176.300 0.276 0.000 1.096 154 D CA -0.137 53.993 54.000 0.218 0.000 0.844 154 D CB -0.346 40.590 40.800 0.227 0.000 0.925 154 D HN -0.079 nan 8.370 nan 0.000 0.513 155 S N 0.244 116.115 115.700 0.285 0.000 2.603 155 S HA 0.620 5.090 4.470 -0.000 0.000 0.268 155 S C 0.130 174.809 174.600 0.131 0.000 1.317 155 S CA -0.603 57.745 58.200 0.246 0.000 1.012 155 S CB 0.742 64.032 63.200 0.149 0.000 0.926 155 S HN 0.481 nan 8.310 nan 0.000 0.539 156 M N 0.315 120.013 119.600 0.163 0.000 2.562 156 M HA 0.610 5.090 4.480 -0.000 0.000 0.281 156 M C -2.154 174.382 176.300 0.393 0.000 1.195 156 M CA -0.794 54.601 55.300 0.159 0.000 0.888 156 M CB 1.155 33.878 32.600 0.206 0.000 1.731 156 M HN 0.295 nan 8.290 nan 0.000 0.493 157 F N 0.785 120.852 119.950 0.195 0.000 2.421 157 F HA 0.688 5.214 4.527 -0.000 0.000 0.337 157 F C 0.107 176.051 175.800 0.240 0.000 1.105 157 F CA -0.873 57.246 58.000 0.200 0.000 1.049 157 F CB 2.111 41.209 39.000 0.162 0.000 1.139 157 F HN 0.617 nan 8.300 nan 0.000 0.479 158 T N 4.769 119.586 114.554 0.439 0.000 2.794 158 T HA 0.638 4.988 4.350 -0.000 0.000 0.280 158 T C -0.819 174.043 174.700 0.271 0.000 0.987 158 T CA -0.476 61.799 62.100 0.293 0.000 0.993 158 T CB 1.260 70.296 68.868 0.281 0.000 0.939 158 T HN 0.465 nan 8.240 nan 0.000 0.449 159 L N 3.905 125.179 121.223 0.085 0.000 2.406 159 L HA 0.555 4.895 4.340 -0.000 0.000 0.272 159 L C -1.415 175.438 176.870 -0.027 0.000 0.980 159 L CA -1.042 53.807 54.840 0.014 0.000 0.831 159 L CB 1.534 43.601 42.059 0.014 0.000 1.253 159 L HN 0.428 nan 8.230 nan 0.000 0.406 160 L N 4.159 125.360 121.223 -0.037 0.000 2.315 160 L HA 0.275 4.615 4.340 -0.000 0.000 0.278 160 L C 0.716 177.538 176.870 -0.080 0.000 1.088 160 L CA 0.300 55.122 54.840 -0.030 0.000 0.899 160 L CB 0.579 42.655 42.059 0.029 0.000 1.277 160 L HN 0.616 nan 8.230 nan 0.000 0.431 161 D N 0.693 121.052 120.400 -0.067 0.000 2.348 161 D HA -0.126 4.513 4.640 -0.000 0.000 0.216 161 D C 1.396 177.660 176.300 -0.059 0.000 0.970 161 D CA 0.760 54.721 54.000 -0.065 0.000 0.889 161 D CB 0.636 41.407 40.800 -0.048 0.000 0.912 161 D HN 0.526 nan 8.370 nan 0.000 0.524 162 E N 0.412 120.581 120.200 -0.053 0.000 2.031 162 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 162 E C 1.121 177.689 176.600 -0.054 0.000 0.994 162 E CA 1.169 57.543 56.400 -0.044 0.000 0.800 162 E CB -0.323 29.358 29.700 -0.032 0.000 0.752 162 E HN 0.400 nan 8.360 nan 0.000 0.447 163 D N -1.022 119.337 120.400 -0.068 0.000 2.360 163 D HA 0.173 4.813 4.640 -0.000 0.000 0.210 163 D C 0.660 176.891 176.300 -0.116 0.000 1.047 163 D CA 0.730 54.680 54.000 -0.084 0.000 0.854 163 D CB 0.511 41.259 40.800 -0.087 0.000 0.936 163 D HN 0.283 nan 8.370 nan 0.000 0.514 164 G N 1.387 110.114 108.800 -0.123 0.000 2.323 164 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.292 164 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.292 164 G C 0.063 174.828 174.900 -0.225 0.000 1.040 164 G CA -0.071 44.938 45.100 -0.152 0.000 0.942 164 G HN 0.365 nan 8.290 nan 0.000 0.506 165 I N -0.181 120.216 120.570 -0.288 0.000 2.331 165 I HA 0.456 4.626 4.170 -0.000 0.000 0.292 165 I C 0.247 175.980 176.117 -0.640 0.000 0.998 165 I CA -1.026 59.972 61.300 -0.503 0.000 1.267 165 I CB 1.499 39.115 38.000 -0.639 0.000 1.386 165 I HN 0.119 nan 8.210 nan 0.000 0.476 166 L N 7.991 128.841 121.223 -0.621 0.000 2.280 166 L HA 0.499 4.839 4.340 -0.000 0.000 0.287 166 L C -1.162 175.335 176.870 -0.621 0.000 1.023 166 L CA 0.073 54.611 54.840 -0.504 0.000 0.819 166 L CB 0.530 42.387 42.059 -0.338 0.000 1.212 166 L HN 0.246 nan 8.230 nan 0.000 0.420 167 F N 3.830 123.685 119.950 -0.159 0.000 2.377 167 F HA 0.275 4.801 4.527 -0.000 0.000 0.360 167 F C 1.386 177.111 175.800 -0.125 0.000 1.147 167 F CA -0.220 57.703 58.000 -0.127 0.000 1.170 167 F CB 0.595 39.569 39.000 -0.043 0.000 1.339 167 F HN 0.664 nan 8.300 nan 0.000 0.552 168 S N 0.803 116.432 115.700 -0.119 0.000 2.577 168 S HA 0.144 4.613 4.470 -0.000 0.000 0.219 168 S C 0.816 175.316 174.600 -0.166 0.000 0.962 168 S CA 0.012 57.898 58.200 -0.524 0.000 0.921 168 S CB -0.733 62.205 63.200 -0.435 0.000 0.789 168 S HN 0.746 nan 8.310 nan 0.000 0.497 169 N N 2.160 120.885 118.700 0.041 0.000 1.191 169 N HA -0.260 4.480 4.740 -0.000 0.000 0.120 169 N C 0.006 175.505 175.510 -0.017 0.000 0.826 169 N CA 1.970 55.025 53.050 0.008 0.000 0.876 169 N CB -1.469 37.050 38.487 0.054 0.000 1.050 169 N HN 0.185 nan 8.380 nan 0.000 0.603 170 D N -0.030 120.372 120.400 0.003 0.000 2.144 170 D HA 0.053 4.693 4.640 -0.000 0.000 0.199 170 D C 0.528 176.892 176.300 0.106 0.000 0.984 170 D CA 1.380 55.485 54.000 0.176 0.000 0.834 170 D CB -0.832 40.090 40.800 0.203 0.000 0.955 170 D HN 0.664 nan 8.370 nan 0.000 0.465 171 A N -0.380 122.453 122.820 0.022 0.000 2.531 171 A HA 0.152 4.472 4.320 -0.000 0.000 0.236 171 A C 0.271 177.622 177.584 -0.389 0.000 1.062 171 A CA -0.026 51.867 52.037 -0.239 0.000 0.760 171 A CB -0.534 18.220 19.000 -0.411 0.000 0.995 171 A HN 0.347 nan 8.150 nan 0.000 0.501 172 F N -0.502 119.385 119.950 -0.105 0.000 2.890 172 F HA -0.268 4.259 4.527 -0.000 0.000 0.346 172 F C 1.375 177.177 175.800 0.003 0.000 0.660 172 F CA 0.581 58.456 58.000 -0.209 0.000 1.091 172 F CB -1.874 36.887 39.000 -0.399 0.000 1.535 172 F HN 0.917 nan 8.300 nan 0.000 0.314 173 G N -0.026 108.601 108.800 -0.289 0.000 2.667 173 G HA2 0.493 4.453 3.960 -0.000 0.000 0.250 173 G HA3 0.493 4.453 3.960 -0.000 0.000 0.250 173 G C -0.407 173.992 174.900 -0.836 0.000 1.212 173 G CA -0.042 44.702 45.100 -0.593 0.000 0.874 173 G HN 0.266 nan 8.290 nan 0.000 0.561 174 Q N -0.934 118.582 119.800 -0.472 0.000 2.353 174 Q HA 0.303 4.643 4.340 -0.000 0.000 0.275 174 Q C -1.230 174.704 176.000 -0.109 0.000 1.029 174 Q CA -0.758 54.946 55.803 -0.164 0.000 0.848 174 Q CB 1.765 30.522 28.738 0.031 0.000 1.390 174 Q HN 0.591 nan 8.270 nan 0.000 0.401 175 H N 2.204 121.373 119.070 0.164 0.000 2.908 175 H HA 0.460 5.016 4.556 -0.000 0.000 0.269 175 H C -0.838 174.503 175.328 0.021 0.000 1.303 175 H CA 0.067 56.131 56.048 0.027 0.000 1.341 175 H CB -0.061 29.661 29.762 -0.067 0.000 1.519 175 H HN 0.413 nan 8.280 nan 0.000 0.505 176 L N 1.763 123.022 121.223 0.060 0.000 2.445 176 L HA 0.293 4.633 4.340 -0.000 0.000 0.262 176 L C -0.501 176.313 176.870 -0.094 0.000 0.974 176 L CA -0.663 54.178 54.840 0.002 0.000 0.822 176 L CB 2.834 44.880 42.059 -0.020 0.000 1.339 176 L HN 0.470 nan 8.230 nan 0.000 0.409 177 C N 2.816 122.043 119.300 -0.121 0.000 2.362 177 C HA 0.707 5.167 4.460 -0.000 0.000 0.309 177 C C -0.118 174.715 174.990 -0.261 0.000 1.110 177 C CA -0.562 58.277 59.018 -0.298 0.000 1.485 177 C CB -0.947 26.558 27.740 -0.391 0.000 1.949 177 C HN 0.861 nan 8.230 nan 0.000 0.419 178 C N 6.435 125.582 119.300 -0.255 0.000 2.529 178 C HA 0.511 4.971 4.460 -0.000 0.000 0.329 178 C C -0.864 174.039 174.990 -0.144 0.000 1.194 178 C CA -0.848 58.102 59.018 -0.113 0.000 1.779 178 C CB 1.847 29.523 27.740 -0.106 0.000 2.322 178 C HN 0.651 nan 8.230 nan 0.000 0.500 179 P HA -0.100 nan 4.420 nan 0.000 0.216 179 P C -0.230 177.009 177.300 -0.102 0.000 1.150 179 P CA 1.273 64.394 63.100 0.035 0.000 0.837 179 P CB 0.085 31.852 31.700 0.111 0.000 0.786 180 Q N -0.432 119.302 119.800 -0.110 0.000 2.288 180 Q HA 0.189 4.528 4.340 -0.000 0.000 0.258 180 Q C 1.226 177.079 176.000 -0.244 0.000 0.957 180 Q CA 0.123 55.835 55.803 -0.150 0.000 0.919 180 Q CB 0.540 29.215 28.738 -0.105 0.000 1.185 180 Q HN 0.003 nan 8.270 nan 0.000 0.408 181 R N 1.572 121.898 120.500 -0.291 0.000 2.223 181 R HA 0.207 4.547 4.340 -0.000 0.000 0.198 181 R C -0.008 176.104 176.300 -0.313 0.000 0.984 181 R CA 0.349 56.209 56.100 -0.400 0.000 1.018 181 R CB 0.086 30.088 30.300 -0.496 0.000 0.945 181 R HN 0.510 nan 8.270 nan 0.000 0.479 182 L N 1.383 122.458 121.223 -0.246 0.000 2.334 182 L HA 0.167 4.507 4.340 -0.000 0.000 0.270 182 L C 1.412 178.119 176.870 -0.272 0.000 1.018 182 L CA -0.820 53.878 54.840 -0.236 0.000 0.811 182 L CB 1.199 43.158 42.059 -0.167 0.000 1.271 182 L HN -0.038 nan 8.230 nan 0.000 0.443 183 D N 1.523 121.713 120.400 -0.351 0.000 2.116 183 D HA -0.273 4.367 4.640 -0.000 0.000 0.193 183 D C 1.592 177.766 176.300 -0.210 0.000 0.998 183 D CA 1.856 55.609 54.000 -0.413 0.000 0.836 183 D CB -0.235 40.222 40.800 -0.571 0.000 0.951 183 D HN 0.667 nan 8.370 nan 0.000 0.449 184 R N 0.397 120.817 120.500 -0.133 0.000 2.307 184 R HA 0.133 4.473 4.340 -0.000 0.000 0.199 184 R C 1.456 177.717 176.300 -0.066 0.000 1.000 184 R CA 0.657 56.714 56.100 -0.072 0.000 1.023 184 R CB -0.415 29.857 30.300 -0.048 0.000 0.908 184 R HN 0.172 nan 8.270 nan 0.000 0.473 185 E N 1.150 121.296 120.200 -0.091 0.000 2.479 185 E HA 0.154 4.504 4.350 -0.000 0.000 0.193 185 E C 0.363 176.928 176.600 -0.060 0.000 1.049 185 E CA 0.027 56.383 56.400 -0.073 0.000 0.870 185 E CB 0.270 29.915 29.700 -0.091 0.000 0.944 185 E HN 0.529 nan 8.360 nan 0.000 0.492 186 I N -3.342 117.191 120.570 -0.061 0.000 3.042 186 I HA 0.562 4.732 4.170 -0.000 0.000 0.310 186 I C -2.787 173.327 176.117 -0.005 0.000 1.117 186 I CA -3.190 58.089 61.300 -0.036 0.000 1.003 186 I CB 1.661 39.627 38.000 -0.056 0.000 1.228 186 I HN -0.334 nan 8.210 nan 0.000 0.443 187 P HA 0.121 nan 4.420 nan 0.000 0.271 187 P C 0.016 177.370 177.300 0.089 0.000 1.216 187 P CA -0.037 63.102 63.100 0.065 0.000 0.771 187 P CB 0.848 32.604 31.700 0.092 0.000 0.864 188 E N 2.693 122.954 120.200 0.102 0.000 2.110 188 E HA -0.290 4.060 4.350 -0.000 0.000 0.193 188 E C 1.553 178.246 176.600 0.155 0.000 0.988 188 E CA 1.383 57.853 56.400 0.116 0.000 0.804 188 E CB -1.030 28.736 29.700 0.111 0.000 0.745 188 E HN 0.517 nan 8.360 nan 0.000 0.458 189 Y N 0.682 121.030 120.300 0.080 0.000 2.097 189 Y HA -0.210 4.340 4.550 -0.000 0.000 0.282 189 Y C 1.952 177.916 175.900 0.107 0.000 1.152 189 Y CA 1.974 60.131 58.100 0.095 0.000 1.136 189 Y CB -0.166 38.339 38.460 0.075 0.000 0.975 189 Y HN 0.075 nan 8.280 nan 0.000 0.498 190 I N 0.005 120.735 120.570 0.266 0.000 2.163 190 I HA -0.284 3.886 4.170 -0.000 0.000 0.243 190 I C 2.465 178.627 176.117 0.076 0.000 1.085 190 I CA 1.359 62.764 61.300 0.176 0.000 1.347 190 I CB -1.583 36.519 38.000 0.170 0.000 1.044 190 I HN 0.419 nan 8.210 nan 0.000 0.408 191 L N 0.200 121.462 121.223 0.065 0.000 2.012 191 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 191 L C 2.369 179.331 176.870 0.154 0.000 1.073 191 L CA 1.967 56.836 54.840 0.049 0.000 0.748 191 L CB -0.407 41.645 42.059 -0.012 0.000 0.891 191 L HN 0.089 nan 8.230 nan 0.000 0.431 192 M N -1.275 118.419 119.600 0.157 0.000 2.287 192 M HA -0.084 4.396 4.480 -0.000 0.000 0.266 192 M C 1.985 178.398 176.300 0.188 0.000 1.079 192 M CA 1.206 56.659 55.300 0.254 0.000 1.146 192 M CB -1.284 31.445 32.600 0.214 0.000 1.374 192 M HN 0.298 nan 8.290 nan 0.000 0.435 193 D N 0.695 121.077 120.400 -0.031 0.000 2.097 193 D HA -0.055 4.585 4.640 -0.000 0.000 0.195 193 D C 1.937 178.274 176.300 0.063 0.000 0.989 193 D CA 1.686 55.640 54.000 -0.076 0.000 0.827 193 D CB 0.169 40.791 40.800 -0.297 0.000 0.966 193 D HN 0.254 nan 8.370 nan 0.000 0.456 194 A N 0.341 123.230 122.820 0.115 0.000 1.933 194 A HA -0.009 4.311 4.320 -0.000 0.000 0.218 194 A C 2.298 180.048 177.584 0.277 0.000 1.175 194 A CA 2.211 54.367 52.037 0.199 0.000 0.628 194 A CB -0.860 18.246 19.000 0.176 0.000 0.814 194 A HN 0.298 nan 8.150 nan 0.000 0.444 195 A N -0.588 122.413 122.820 0.303 0.000 1.968 195 A HA -0.060 4.260 4.320 -0.000 0.000 0.217 195 A C 2.204 179.952 177.584 0.273 0.000 1.169 195 A CA 1.409 53.697 52.037 0.417 0.000 0.638 195 A CB -0.428 18.953 19.000 0.635 0.000 0.812 195 A HN 0.563 nan 8.150 nan 0.000 0.446 196 R N 0.058 120.594 120.500 0.061 0.000 2.066 196 R HA -0.140 4.200 4.340 -0.000 0.000 0.232 196 R C 2.227 178.374 176.300 -0.255 0.000 1.131 196 R CA 1.879 57.688 56.100 -0.485 0.000 0.955 196 R CB -0.283 29.888 30.300 -0.215 0.000 0.851 196 R HN 0.488 nan 8.270 nan 0.000 0.432 197 K N -0.389 120.008 120.400 -0.004 0.000 2.057 197 K HA -0.195 4.125 4.320 -0.000 0.000 0.207 197 K C 1.956 178.663 176.600 0.178 0.000 1.049 197 K CA 1.733 58.046 56.287 0.043 0.000 0.931 197 K CB -0.292 32.252 32.500 0.073 0.000 0.714 197 K HN 0.180 nan 8.250 nan 0.000 0.440 198 F N 0.277 120.349 119.950 0.203 0.000 2.102 198 F HA -0.255 4.272 4.527 -0.000 0.000 0.298 198 F C 2.136 178.004 175.800 0.113 0.000 1.105 198 F CA 1.598 59.760 58.000 0.269 0.000 1.239 198 F CB -0.317 38.804 39.000 0.202 0.000 0.991 198 F HN 0.128 nan 8.300 nan 0.000 0.474 199 Y N 0.392 120.790 120.300 0.165 0.000 2.145 199 Y HA -0.249 4.301 4.550 -0.000 0.000 0.286 199 Y C 2.417 178.194 175.900 -0.205 0.000 1.145 199 Y CA 1.679 59.701 58.100 -0.131 0.000 1.148 199 Y CB -0.660 37.503 38.460 -0.495 0.000 0.981 199 Y HN 0.094 nan 8.280 nan 0.000 0.507 200 A N 0.301 123.158 122.820 0.061 0.000 1.940 200 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 200 A C 1.960 179.510 177.584 -0.057 0.000 1.176 200 A CA 2.020 54.080 52.037 0.038 0.000 0.631 200 A CB -0.633 18.394 19.000 0.045 0.000 0.814 200 A HN 0.632 nan 8.150 nan 0.000 0.446 201 N N -0.963 117.717 118.700 -0.034 0.000 2.409 201 N HA 0.145 4.884 4.740 -0.000 0.000 0.174 201 N C 1.420 176.908 175.510 -0.037 0.000 1.037 201 N CA 0.784 53.837 53.050 0.005 0.000 0.898 201 N CB 0.188 38.737 38.487 0.102 0.000 1.010 201 N HN 0.437 nan 8.380 nan 0.000 0.445 202 L N 0.002 121.134 121.223 -0.151 0.000 2.609 202 L HA 0.236 4.576 4.340 -0.000 0.000 0.230 202 L C 1.423 178.187 176.870 -0.176 0.000 1.064 202 L CA 0.275 55.008 54.840 -0.179 0.000 0.873 202 L CB 0.375 42.130 42.059 -0.506 0.000 1.139 202 L HN -0.011 nan 8.230 nan 0.000 0.490 203 I N -0.890 119.446 120.570 -0.390 0.000 3.708 203 I HA -0.011 4.159 4.170 -0.000 0.000 0.302 203 I C 2.309 178.077 176.117 -0.582 0.000 1.255 203 I CA 0.681 61.603 61.300 -0.629 0.000 1.362 203 I CB -0.969 36.261 38.000 -1.284 0.000 1.100 203 I HN 0.104 nan 8.210 nan 0.000 0.434 204 T N 3.411 117.700 114.554 -0.443 0.000 2.653 204 T HA -0.104 4.246 4.350 -0.000 0.000 0.268 204 T C -0.350 174.194 174.700 -0.261 0.000 1.035 204 T CA 1.738 63.669 62.100 -0.281 0.000 1.154 204 T CB -1.631 66.887 68.868 -0.584 0.000 0.862 204 T HN 0.280 nan 8.240 nan 0.000 0.441 205 P HA 0.058 nan 4.420 nan 0.000 0.223 205 P C 1.011 178.241 177.300 -0.117 0.000 1.151 205 P CA 0.865 63.859 63.100 -0.176 0.000 0.787 205 P CB -0.315 31.296 31.700 -0.150 0.000 0.788 206 L N -1.154 119.993 121.223 -0.127 0.000 2.629 206 L HA 0.168 4.508 4.340 -0.000 0.000 0.230 206 L C 2.210 179.035 176.870 -0.076 0.000 1.151 206 L CA 0.000 54.785 54.840 -0.092 0.000 0.924 206 L CB -0.662 41.345 42.059 -0.086 0.000 1.137 206 L HN -0.117 nan 8.230 nan 0.000 0.457 207 S N 0.738 116.409 115.700 -0.047 0.000 2.353 207 S HA -0.194 4.276 4.470 -0.000 0.000 0.222 207 S C 1.948 176.561 174.600 0.022 0.000 1.035 207 S CA 1.568 59.793 58.200 0.043 0.000 1.025 207 S CB -0.049 63.209 63.200 0.098 0.000 0.902 207 S HN 0.432 nan 8.310 nan 0.000 0.440 208 K N 0.269 120.670 120.400 0.002 0.000 2.280 208 K HA 0.021 4.341 4.320 -0.000 0.000 0.202 208 K C 1.413 178.000 176.600 -0.021 0.000 1.047 208 K CA 0.578 56.864 56.287 -0.001 0.000 0.942 208 K CB -0.081 32.417 32.500 -0.003 0.000 0.739 208 K HN 0.172 nan 8.250 nan 0.000 0.457 209 L N -0.111 121.089 121.223 -0.039 0.000 2.307 209 L HA -0.041 4.299 4.340 -0.000 0.000 0.211 209 L C 2.001 178.810 176.870 -0.102 0.000 1.099 209 L CA 1.030 55.836 54.840 -0.056 0.000 0.816 209 L CB -0.449 41.578 42.059 -0.052 0.000 0.952 209 L HN -0.098 nan 8.230 nan 0.000 0.455 210 V N -0.219 119.621 119.914 -0.123 0.000 2.295 210 V HA -0.283 3.837 4.120 -0.000 0.000 0.246 210 V C 2.446 178.270 176.094 -0.450 0.000 1.049 210 V CA 1.631 63.770 62.300 -0.269 0.000 1.024 210 V CB -0.313 31.430 31.823 -0.135 0.000 0.648 210 V HN 0.316 nan 8.190 nan 0.000 0.447 211 L N -0.764 120.348 121.223 -0.184 0.000 2.027 211 L HA -0.153 4.187 4.340 -0.000 0.000 0.206 211 L C 2.515 179.391 176.870 0.009 0.000 1.074 211 L CA 1.600 56.414 54.840 -0.044 0.000 0.745 211 L CB -0.706 41.384 42.059 0.051 0.000 0.898 211 L HN 0.196 nan 8.230 nan 0.000 0.433 212 K N 0.165 120.557 120.400 -0.012 0.000 2.152 212 K HA -0.240 4.080 4.320 -0.000 0.000 0.206 212 K C 2.164 178.776 176.600 0.019 0.000 1.048 212 K CA 1.334 57.627 56.287 0.010 0.000 0.933 212 K CB -0.043 32.454 32.500 -0.005 0.000 0.721 212 K HN 0.003 nan 8.250 nan 0.000 0.447 213 K N 0.080 120.463 120.400 -0.029 0.000 2.116 213 K HA -0.034 4.286 4.320 -0.000 0.000 0.203 213 K C 1.625 178.337 176.600 0.186 0.000 1.052 213 K CA 0.987 57.283 56.287 0.015 0.000 0.952 213 K CB -0.017 32.447 32.500 -0.060 0.000 0.729 213 K HN -0.057 nan 8.250 nan 0.000 0.446 214 F N 1.590 121.611 119.950 0.118 0.000 2.186 214 F HA -0.106 4.421 4.527 -0.000 0.000 0.299 214 F C 1.502 177.344 175.800 0.070 0.000 1.090 214 F CA 1.133 59.200 58.000 0.111 0.000 1.307 214 F CB -0.653 38.416 39.000 0.116 0.000 1.019 214 F HN 0.107 nan 8.300 nan 0.000 0.489 215 D N -0.518 120.030 120.400 0.247 0.000 2.317 215 D HA -0.113 4.527 4.640 -0.000 0.000 0.211 215 D C 2.159 178.521 176.300 0.105 0.000 0.966 215 D CA 0.560 54.645 54.000 0.142 0.000 0.876 215 D CB -0.233 40.631 40.800 0.106 0.000 0.927 215 D HN 0.343 nan 8.370 nan 0.000 0.519 216 E N 0.832 121.098 120.200 0.110 0.000 2.190 216 E HA -0.053 4.296 4.350 -0.000 0.000 0.191 216 E C 1.952 178.606 176.600 0.090 0.000 0.978 216 E CA 0.237 56.686 56.400 0.081 0.000 0.839 216 E CB 0.440 30.177 29.700 0.060 0.000 0.787 216 E HN 0.013 nan 8.360 nan 0.000 0.473 217 V N 1.446 121.438 119.914 0.131 0.000 2.427 217 V HA -0.194 3.926 4.120 -0.000 0.000 0.248 217 V C 2.517 178.659 176.094 0.081 0.000 1.051 217 V CA 1.789 64.164 62.300 0.125 0.000 1.048 217 V CB -0.424 31.513 31.823 0.189 0.000 0.666 217 V HN 0.147 nan 8.190 nan 0.000 0.456 218 K N -0.212 120.237 120.400 0.082 0.000 2.147 218 K HA -0.188 4.132 4.320 -0.000 0.000 0.205 218 K C 2.133 178.754 176.600 0.034 0.000 1.049 218 K CA 1.495 57.809 56.287 0.045 0.000 0.936 218 K CB -0.033 32.497 32.500 0.049 0.000 0.722 218 K HN 0.543 nan 8.250 nan 0.000 0.446 219 E N -0.058 120.168 120.200 0.043 0.000 2.122 219 E HA -0.066 4.284 4.350 -0.000 0.000 0.190 219 E C 1.578 178.195 176.600 0.028 0.000 0.977 219 E CA 0.455 56.874 56.400 0.032 0.000 0.820 219 E CB 0.162 29.883 29.700 0.035 0.000 0.770 219 E HN 0.213 nan 8.360 nan 0.000 0.462 220 L N 0.022 121.266 121.223 0.034 0.000 2.610 220 L HA 0.086 4.426 4.340 -0.000 0.000 0.232 220 L C 0.421 177.304 176.870 0.021 0.000 1.149 220 L CA 0.242 55.100 54.840 0.030 0.000 0.872 220 L CB 0.082 42.164 42.059 0.040 0.000 0.992 220 L HN 0.224 nan 8.230 nan 0.000 0.447 221 G N 0.239 109.050 108.800 0.017 0.000 2.462 221 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.283 221 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.283 221 G C 0.114 175.012 174.900 -0.002 0.000 1.043 221 G CA 0.373 45.476 45.100 0.004 0.000 1.300 221 G HN 0.386 nan 8.290 nan 0.000 0.518 222 L N -0.028 121.194 121.223 -0.002 0.000 2.966 222 L HA 0.359 4.699 4.340 -0.000 0.000 0.262 222 L C 2.168 179.016 176.870 -0.036 0.000 1.068 222 L CA 0.192 55.025 54.840 -0.011 0.000 1.004 222 L CB -0.058 42.009 42.059 0.014 0.000 1.629 222 L HN 0.347 nan 8.230 nan 0.000 0.542 223 L N 1.083 122.283 121.223 -0.040 0.000 2.599 223 L HA 0.022 4.361 4.340 -0.000 0.000 0.230 223 L C 2.173 178.978 176.870 -0.107 0.000 1.141 223 L CA 0.699 55.487 54.840 -0.085 0.000 0.877 223 L CB -0.077 41.925 42.059 -0.094 0.000 1.009 223 L HN 0.317 nan 8.230 nan 0.000 0.447 224 E N -0.796 119.356 120.200 -0.080 0.000 2.358 224 E HA -0.155 4.194 4.350 -0.000 0.000 0.195 224 E C 1.609 178.158 176.600 -0.084 0.000 1.010 224 E CA 0.387 56.739 56.400 -0.080 0.000 0.856 224 E CB -0.017 29.649 29.700 -0.058 0.000 0.795 224 E HN 0.556 nan 8.360 nan 0.000 0.504 225 R N 0.251 120.700 120.500 -0.086 0.000 2.237 225 R HA 0.201 4.540 4.340 -0.000 0.000 0.195 225 R C 0.295 176.528 176.300 -0.112 0.000 0.956 225 R CA -0.334 55.714 56.100 -0.087 0.000 1.029 225 R CB -0.065 30.190 30.300 -0.075 0.000 0.972 225 R HN 0.040 nan 8.270 nan 0.000 0.493 226 I N 2.845 123.334 120.570 -0.136 0.000 2.978 226 I HA -0.175 3.995 4.170 -0.000 0.000 0.293 226 I C 1.272 177.285 176.117 -0.174 0.000 1.218 226 I CA 0.895 62.090 61.300 -0.174 0.000 1.393 226 I CB 0.583 38.454 38.000 -0.215 0.000 1.394 226 I HN 0.129 nan 8.210 nan 0.000 0.541 227 Q N 5.765 125.464 119.800 -0.169 0.000 2.392 227 Q HA 0.296 4.636 4.340 -0.000 0.000 0.219 227 Q C 0.239 176.145 176.000 -0.158 0.000 0.895 227 Q CA 0.514 56.229 55.803 -0.147 0.000 0.929 227 Q CB 0.760 29.423 28.738 -0.126 0.000 1.077 227 Q HN 0.706 nan 8.270 nan 0.000 0.532 228 M N 0.399 119.877 119.600 -0.203 0.000 2.325 228 M HA 0.375 4.854 4.480 -0.000 0.000 0.285 228 M C -1.986 174.147 176.300 -0.277 0.000 1.119 228 M CA -0.297 54.881 55.300 -0.203 0.000 0.959 228 M CB 1.781 34.258 32.600 -0.203 0.000 1.737 228 M HN -0.096 nan 8.290 nan 0.000 0.486 229 I N 4.034 124.480 120.570 -0.208 0.000 2.339 229 I HA 0.516 4.686 4.170 -0.000 0.000 0.290 229 I C 0.068 176.124 176.117 -0.101 0.000 0.994 229 I CA -0.532 60.629 61.300 -0.231 0.000 1.191 229 I CB 1.816 39.611 38.000 -0.343 0.000 1.343 229 I HN 0.795 nan 8.210 nan 0.000 0.458 230 A N 9.342 132.021 122.820 -0.236 0.000 2.654 230 A HA 0.615 4.935 4.320 -0.000 0.000 0.345 230 A C -2.501 175.138 177.584 0.092 0.000 1.368 230 A CA -1.466 50.469 52.037 -0.171 0.000 0.895 230 A CB -0.241 18.362 19.000 -0.660 0.000 1.143 230 A HN 0.350 nan 8.150 nan 0.000 0.490 231 P HA 0.188 nan 4.420 nan 0.000 0.279 231 P C 0.814 178.248 177.300 0.224 0.000 1.276 231 P CA -0.268 62.943 63.100 0.184 0.000 0.801 231 P CB 1.187 32.982 31.700 0.157 0.000 1.127 232 S N -2.094 113.648 115.700 0.070 0.000 2.528 232 S HA 0.046 4.516 4.470 -0.000 0.000 0.219 232 S C 0.559 175.033 174.600 -0.210 0.000 0.985 232 S CA 0.291 58.448 58.200 -0.072 0.000 0.914 232 S CB -0.658 62.302 63.200 -0.400 0.000 0.776 232 S HN 0.461 nan 8.310 nan 0.000 0.526 233 H N 0.689 119.805 119.070 0.076 0.000 2.589 233 H HA 0.565 5.121 4.556 -0.000 0.000 0.351 233 H C 1.003 176.269 175.328 -0.103 0.000 1.074 233 H CA 0.113 56.151 56.048 -0.018 0.000 1.203 233 H CB 1.306 31.004 29.762 -0.107 0.000 1.558 233 H HN 0.411 nan 8.280 nan 0.000 0.522 234 G N 2.659 111.466 108.800 0.012 0.000 2.562 234 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.250 234 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.250 234 G C -0.475 174.327 174.900 -0.163 0.000 1.269 234 G CA -0.641 44.404 45.100 -0.093 0.000 0.919 234 G HN 0.533 nan 8.290 nan 0.000 0.574 235 Q N -0.246 119.390 119.800 -0.273 0.000 2.392 235 Q HA 0.507 4.847 4.340 -0.000 0.000 0.262 235 Q C 0.686 176.409 176.000 -0.463 0.000 1.003 235 Q CA 0.026 55.589 55.803 -0.400 0.000 0.888 235 Q CB 0.680 29.104 28.738 -0.524 0.000 1.260 235 Q HN 0.541 nan 8.270 nan 0.000 0.435 236 I N 1.477 121.833 120.570 -0.357 0.000 2.395 236 I HA 0.087 4.256 4.170 -0.000 0.000 0.289 236 I C -0.278 175.631 176.117 -0.347 0.000 1.023 236 I CA -0.274 60.876 61.300 -0.250 0.000 1.350 236 I CB 0.519 38.457 38.000 -0.102 0.000 1.409 236 I HN 0.399 nan 8.210 nan 0.000 0.507 237 W N 5.617 126.837 121.300 -0.134 0.000 2.481 237 W HA 0.207 4.867 4.660 -0.000 0.000 0.320 237 W C 1.524 177.940 176.519 -0.171 0.000 1.209 237 W CA -0.439 56.812 57.345 -0.156 0.000 1.400 237 W CB 0.520 29.856 29.460 -0.206 0.000 1.361 237 W HN 0.590 nan 8.180 nan 0.000 0.456 238 T N -2.456 112.112 114.554 0.025 0.000 3.054 238 T HA -0.094 4.256 4.350 -0.000 0.000 0.259 238 T C 0.445 175.144 174.700 -0.002 0.000 1.092 238 T CA 0.479 62.565 62.100 -0.023 0.000 1.121 238 T CB 0.047 68.883 68.868 -0.054 0.000 0.912 238 T HN 0.227 nan 8.240 nan 0.000 0.489 239 D N 2.930 123.372 120.400 0.071 0.000 2.540 239 D HA 0.283 4.923 4.640 -0.000 0.000 0.251 239 D C -1.520 174.784 176.300 0.007 0.000 1.159 239 D CA -2.709 51.314 54.000 0.038 0.000 0.974 239 D CB 1.372 42.210 40.800 0.064 0.000 0.996 239 D HN 0.096 nan 8.370 nan 0.000 0.512 240 P HA -0.142 nan 4.420 nan 0.000 0.218 240 P C 1.632 178.680 177.300 -0.420 0.000 1.149 240 P CA 0.619 63.539 63.100 -0.299 0.000 0.817 240 P CB 0.234 31.744 31.700 -0.317 0.000 0.785 241 M N -0.294 119.128 119.600 -0.297 0.000 2.374 241 M HA -0.094 4.386 4.480 -0.000 0.000 0.264 241 M C 2.127 178.256 176.300 -0.285 0.000 1.067 241 M CA 1.231 56.355 55.300 -0.293 0.000 1.103 241 M CB -1.270 31.205 32.600 -0.209 0.000 1.402 241 M HN 0.019 nan 8.290 nan 0.000 0.444 242 K N 0.320 120.572 120.400 -0.247 0.000 2.009 242 K HA -0.190 4.130 4.320 -0.000 0.000 0.210 242 K C 1.896 178.290 176.600 -0.344 0.000 1.049 242 K CA 1.385 57.545 56.287 -0.211 0.000 0.929 242 K CB -0.190 32.275 32.500 -0.057 0.000 0.714 242 K HN 0.163 nan 8.250 nan 0.000 0.440 243 I N 1.226 121.413 120.570 -0.640 0.000 2.617 243 I HA -0.129 4.040 4.170 -0.000 0.000 0.256 243 I C 1.770 177.652 176.117 -0.390 0.000 1.167 243 I CA 0.872 61.743 61.300 -0.715 0.000 1.469 243 I CB 0.050 37.070 38.000 -1.632 0.000 1.098 243 I HN 0.210 nan 8.210 nan 0.000 0.436 244 I N 0.058 120.342 120.570 -0.476 0.000 2.252 244 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 244 I C 2.171 178.193 176.117 -0.159 0.000 1.102 244 I CA 1.260 62.354 61.300 -0.344 0.000 1.385 244 I CB -0.393 37.261 38.000 -0.577 0.000 1.064 244 I HN 0.229 nan 8.210 nan 0.000 0.414 245 E N 0.979 121.048 120.200 -0.217 0.000 2.150 245 E HA -0.157 4.192 4.350 -0.000 0.000 0.193 245 E C 2.321 178.782 176.600 -0.231 0.000 0.985 245 E CA 1.158 57.451 56.400 -0.178 0.000 0.814 245 E CB -0.128 29.461 29.700 -0.185 0.000 0.752 245 E HN 0.485 nan 8.360 nan 0.000 0.466 246 A N 0.544 123.168 122.820 -0.326 0.000 1.877 246 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 246 A C 1.853 179.012 177.584 -0.709 0.000 1.186 246 A CA 1.252 52.858 52.037 -0.720 0.000 0.620 246 A CB -0.803 17.738 19.000 -0.765 0.000 0.822 246 A HN 0.253 nan 8.150 nan 0.000 0.443 247 Y N 0.872 121.048 120.300 -0.207 0.000 2.165 247 Y HA -0.169 4.381 4.550 -0.000 0.000 0.286 247 Y C 2.988 179.000 175.900 0.188 0.000 1.155 247 Y CA 1.821 60.070 58.100 0.248 0.000 1.164 247 Y CB -0.926 37.897 38.460 0.604 0.000 0.978 247 Y HN 0.314 nan 8.280 nan 0.000 0.513 248 T N -1.128 113.610 114.554 0.306 0.000 2.788 248 T HA -0.143 4.206 4.350 -0.000 0.000 0.268 248 T C 2.159 176.886 174.700 0.046 0.000 1.044 248 T CA 1.380 63.617 62.100 0.228 0.000 1.139 248 T CB -0.794 68.177 68.868 0.173 0.000 0.867 248 T HN 0.547 nan 8.240 nan 0.000 0.454 249 G N -0.167 108.559 108.800 -0.123 0.000 2.421 249 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.217 249 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.217 249 G C 1.218 176.040 174.900 -0.130 0.000 1.143 249 G CA 0.110 45.101 45.100 -0.181 0.000 0.784 249 G HN 0.442 nan 8.290 nan 0.000 0.541 250 W N 0.651 121.824 121.300 -0.212 0.000 2.584 250 W HA 0.345 5.005 4.660 -0.000 0.000 0.264 250 W C 2.521 178.848 176.519 -0.320 0.000 1.264 250 W CA 0.345 57.423 57.345 -0.445 0.000 1.306 250 W CB -0.495 28.307 29.460 -1.095 0.000 1.110 250 W HN 0.300 nan 8.180 nan 0.000 0.606 251 A N -0.150 122.711 122.820 0.068 0.000 2.081 251 A HA -0.019 4.300 4.320 -0.000 0.000 0.214 251 A C 1.714 179.362 177.584 0.108 0.000 1.158 251 A CA 1.631 53.765 52.037 0.161 0.000 0.724 251 A CB -0.788 18.341 19.000 0.214 0.000 0.826 251 A HN 0.134 nan 8.150 nan 0.000 0.463 252 T N -3.843 110.759 114.554 0.081 0.000 3.145 252 T HA 0.414 4.763 4.350 -0.000 0.000 0.255 252 T C 1.062 175.795 174.700 0.056 0.000 1.039 252 T CA 0.619 62.756 62.100 0.061 0.000 0.928 252 T CB -0.238 68.659 68.868 0.049 0.000 1.029 252 T HN 1.502 nan 8.240 nan 0.000 0.554 253 G N 2.583 111.428 108.800 0.075 0.000 2.372 253 G HA2 -0.257 3.702 3.960 -0.000 0.000 0.290 253 G HA3 -0.257 3.702 3.960 -0.000 0.000 0.290 253 G C 0.677 175.616 174.900 0.065 0.000 0.965 253 G CA 0.478 45.630 45.100 0.087 0.000 1.263 253 G HN 0.304 nan 8.290 nan 0.000 0.498 254 M N 0.002 119.636 119.600 0.055 0.000 2.101 254 M HA 0.097 4.577 4.480 -0.000 0.000 0.259 254 M C 1.987 178.314 176.300 0.045 0.000 1.083 254 M CA 2.102 57.420 55.300 0.031 0.000 1.114 254 M CB -1.799 30.795 32.600 -0.010 0.000 1.281 254 M HN 1.836 nan 8.290 nan 0.000 0.422 255 V N 0.257 120.211 119.914 0.067 0.000 3.553 255 V HA -0.193 3.927 4.120 -0.000 0.000 0.508 255 V C -0.882 175.245 176.094 0.054 0.000 0.682 255 V CA -0.511 61.835 62.300 0.077 0.000 2.060 255 V CB -1.213 30.654 31.823 0.074 0.000 2.485 255 V HN 0.522 nan 8.190 nan 0.000 0.510 256 D N 3.001 123.438 120.400 0.061 0.000 2.423 256 D HA 0.447 5.087 4.640 -0.000 0.000 0.255 256 D C 0.437 176.763 176.300 0.043 0.000 1.174 256 D CA 0.053 54.082 54.000 0.047 0.000 1.008 256 D CB 0.709 41.541 40.800 0.053 0.000 1.101 256 D HN 0.926 nan 8.370 nan 0.000 0.516 257 E N 0.858 121.079 120.200 0.034 0.000 2.159 257 E HA 0.182 4.532 4.350 -0.000 0.000 0.272 257 E C 0.125 176.743 176.600 0.030 0.000 1.138 257 E CA 0.311 56.728 56.400 0.028 0.000 0.915 257 E CB 0.626 30.338 29.700 0.020 0.000 1.028 257 E HN 0.110 nan 8.360 nan 0.000 0.423 258 R N 2.456 122.976 120.500 0.033 0.000 2.535 258 R HA 0.344 4.684 4.340 -0.000 0.000 0.274 258 R C -1.844 174.478 176.300 0.036 0.000 1.090 258 R CA -0.565 55.558 56.100 0.037 0.000 0.930 258 R CB 1.496 31.827 30.300 0.052 0.000 1.223 258 R HN 0.279 nan 8.270 nan 0.000 0.441 259 V N 3.047 122.980 119.914 0.032 0.000 2.417 259 V HA 0.410 4.530 4.120 -0.000 0.000 0.291 259 V C -0.246 175.882 176.094 0.056 0.000 1.024 259 V CA -0.559 61.763 62.300 0.037 0.000 0.861 259 V CB 1.972 33.804 31.823 0.015 0.000 0.985 259 V HN 0.777 nan 8.190 nan 0.000 0.436 260 T N 4.750 119.350 114.554 0.078 0.000 2.743 260 T HA 0.473 4.823 4.350 -0.000 0.000 0.292 260 T C -0.203 174.581 174.700 0.140 0.000 0.972 260 T CA -0.235 61.939 62.100 0.123 0.000 0.967 260 T CB 1.185 70.130 68.868 0.128 0.000 0.926 260 T HN 0.359 nan 8.240 nan 0.000 0.459 261 V N 5.897 125.914 119.914 0.172 0.000 2.394 261 V HA 0.535 4.655 4.120 -0.000 0.000 0.282 261 V C -0.123 176.155 176.094 0.308 0.000 1.031 261 V CA -0.673 61.762 62.300 0.224 0.000 0.881 261 V CB 0.938 32.873 31.823 0.187 0.000 0.982 261 V HN 0.762 nan 8.190 nan 0.000 0.451 262 I N 6.450 127.200 120.570 0.301 0.000 2.533 262 I HA 0.636 4.806 4.170 -0.000 0.000 0.290 262 I C -0.788 175.474 176.117 0.242 0.000 1.056 262 I CA -0.572 60.870 61.300 0.238 0.000 1.057 262 I CB 1.831 39.888 38.000 0.096 0.000 1.240 262 I HN 0.764 nan 8.210 nan 0.000 0.423 263 Y N 2.989 123.336 120.300 0.079 0.000 2.655 263 Y HA 0.809 5.358 4.550 -0.000 0.000 0.336 263 Y C -1.918 173.968 175.900 -0.024 0.000 1.154 263 Y CA -0.989 57.103 58.100 -0.013 0.000 1.055 263 Y CB 1.711 40.235 38.460 0.106 0.000 1.295 263 Y HN 0.402 nan 8.280 nan 0.000 0.465 264 D N -0.162 120.211 120.400 -0.044 0.000 2.570 264 D HA 0.623 5.263 4.640 -0.000 0.000 0.244 264 D C -1.555 174.705 176.300 -0.066 0.000 1.178 264 D CA 0.003 53.893 54.000 -0.183 0.000 0.881 264 D CB 2.875 43.540 40.800 -0.225 0.000 1.453 264 D HN 0.841 nan 8.370 nan 0.000 0.447 265 T N 0.229 114.640 114.554 -0.238 0.000 2.802 265 T HA 0.440 4.790 4.350 -0.000 0.000 0.311 265 T C 0.006 174.475 174.700 -0.384 0.000 1.405 265 T CA -0.263 61.725 62.100 -0.187 0.000 1.016 265 T CB 1.225 70.116 68.868 0.038 0.000 1.352 265 T HN 0.352 nan 8.240 nan 0.000 0.498 266 M N 0.485 119.884 119.600 -0.334 0.000 2.777 266 M HA 0.286 4.766 4.480 -0.000 0.000 0.244 266 M C 0.948 177.001 176.300 -0.412 0.000 1.457 266 M CA 0.061 55.107 55.300 -0.424 0.000 1.174 266 M CB 0.386 32.674 32.600 -0.520 0.000 1.321 266 M HN 0.541 nan 8.290 nan 0.000 0.546 267 H N -0.443 118.591 119.070 -0.060 0.000 2.784 267 H HA 0.433 4.989 4.556 -0.000 0.000 0.273 267 H C 1.254 176.549 175.328 -0.056 0.000 1.112 267 H CA 0.750 56.767 56.048 -0.052 0.000 1.162 267 H CB 0.917 30.652 29.762 -0.045 0.000 1.586 267 H HN 0.562 nan 8.280 nan 0.000 0.548 268 G N 0.332 109.143 108.800 0.019 0.000 2.194 268 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.236 268 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.236 268 G C 1.478 176.349 174.900 -0.049 0.000 0.987 268 G CA 0.684 45.770 45.100 -0.023 0.000 0.635 268 G HN 0.384 nan 8.290 nan 0.000 0.520 269 S N 0.169 115.866 115.700 -0.005 0.000 2.371 269 S HA -0.047 4.423 4.470 -0.000 0.000 0.224 269 S C 2.397 176.988 174.600 -0.015 0.000 1.029 269 S CA 2.130 60.326 58.200 -0.007 0.000 0.978 269 S CB -0.388 62.835 63.200 0.038 0.000 0.833 269 S HN 0.634 nan 8.310 nan 0.000 0.466 270 T N 2.039 116.601 114.554 0.013 0.000 2.788 270 T HA -0.113 4.236 4.350 -0.000 0.000 0.268 270 T C 1.833 176.493 174.700 -0.067 0.000 1.044 270 T CA 1.317 63.457 62.100 0.067 0.000 1.139 270 T CB -0.206 68.712 68.868 0.082 0.000 0.867 270 T HN 0.400 nan 8.240 nan 0.000 0.454 271 R N 1.440 121.804 120.500 -0.227 0.000 2.080 271 R HA -0.122 4.218 4.340 -0.000 0.000 0.236 271 R C 2.243 178.205 176.300 -0.563 0.000 1.137 271 R CA 1.626 57.362 56.100 -0.607 0.000 0.943 271 R CB -0.141 29.943 30.300 -0.360 0.000 0.846 271 R HN 0.295 nan 8.270 nan 0.000 0.431 272 K N 0.104 120.289 120.400 -0.359 0.000 2.044 272 K HA -0.179 4.141 4.320 -0.000 0.000 0.210 272 K C 2.244 178.729 176.600 -0.191 0.000 1.049 272 K CA 2.366 58.486 56.287 -0.279 0.000 0.927 272 K CB -0.208 32.203 32.500 -0.148 0.000 0.713 272 K HN 0.290 nan 8.250 nan 0.000 0.443 273 M N 0.320 119.828 119.600 -0.153 0.000 2.108 273 M HA -0.178 4.302 4.480 -0.000 0.000 0.261 273 M C 2.488 178.567 176.300 -0.369 0.000 1.066 273 M CA 1.715 56.899 55.300 -0.193 0.000 1.107 273 M CB -0.523 32.027 32.600 -0.083 0.000 1.356 273 M HN 0.225 nan 8.290 nan 0.000 0.406 274 A N -0.362 122.268 122.820 -0.317 0.000 1.933 274 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 274 A C 1.734 179.256 177.584 -0.105 0.000 1.175 274 A CA 1.795 53.661 52.037 -0.285 0.000 0.628 274 A CB -0.950 17.863 19.000 -0.311 0.000 0.814 274 A HN 0.439 nan 8.150 nan 0.000 0.444 275 H N -0.327 118.594 119.070 -0.248 0.000 2.357 275 H HA 0.103 4.659 4.556 -0.000 0.000 0.301 275 H C 2.460 177.704 175.328 -0.141 0.000 1.082 275 H CA 1.200 57.153 56.048 -0.157 0.000 1.342 275 H CB -0.530 29.161 29.762 -0.117 0.000 1.389 275 H HN 0.489 nan 8.280 nan 0.000 0.511 276 A N 0.539 123.352 122.820 -0.011 0.000 1.929 276 A HA -0.050 4.270 4.320 -0.000 0.000 0.216 276 A C 2.509 180.009 177.584 -0.141 0.000 1.176 276 A CA 1.003 53.023 52.037 -0.029 0.000 0.628 276 A CB -0.676 18.326 19.000 0.004 0.000 0.816 276 A HN 0.310 nan 8.150 nan 0.000 0.444 277 I N 0.019 120.452 120.570 -0.227 0.000 2.091 277 I HA -0.354 3.816 4.170 -0.000 0.000 0.239 277 I C 2.993 178.963 176.117 -0.244 0.000 1.061 277 I CA 1.368 62.501 61.300 -0.278 0.000 1.317 277 I CB -0.431 37.321 38.000 -0.413 0.000 1.031 277 I HN 0.358 nan 8.210 nan 0.000 0.401 278 A N 0.053 122.761 122.820 -0.187 0.000 1.978 278 A HA -0.220 4.099 4.320 -0.000 0.000 0.220 278 A C 2.232 179.698 177.584 -0.197 0.000 1.170 278 A CA 1.608 53.550 52.037 -0.157 0.000 0.636 278 A CB -0.469 18.458 19.000 -0.122 0.000 0.810 278 A HN 0.407 nan 8.150 nan 0.000 0.448 279 E N -0.454 119.616 120.200 -0.216 0.000 2.072 279 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 279 E C 2.258 178.522 176.600 -0.559 0.000 0.985 279 E CA 1.133 57.387 56.400 -0.245 0.000 0.801 279 E CB -0.742 28.910 29.700 -0.080 0.000 0.750 279 E HN 0.572 nan 8.360 nan 0.000 0.452 280 G N 1.428 109.708 108.800 -0.867 0.000 2.480 280 G HA2 -0.271 3.688 3.960 -0.000 0.000 0.216 280 G HA3 -0.271 3.688 3.960 -0.000 0.000 0.216 280 G C 1.758 176.322 174.900 -0.561 0.000 1.200 280 G CA 1.641 46.020 45.100 -1.201 0.000 0.782 280 G HN 0.396 nan 8.290 nan 0.000 0.554 281 A N 0.131 122.751 122.820 -0.333 0.000 1.978 281 A HA 0.023 4.343 4.320 -0.000 0.000 0.220 281 A C 2.451 179.946 177.584 -0.148 0.000 1.170 281 A CA 1.864 53.790 52.037 -0.184 0.000 0.636 281 A CB -0.343 18.584 19.000 -0.121 0.000 0.810 281 A HN 0.414 nan 8.150 nan 0.000 0.448 282 M N 0.130 119.627 119.600 -0.171 0.000 2.175 282 M HA -0.144 4.336 4.480 -0.000 0.000 0.264 282 M C 2.456 178.706 176.300 -0.082 0.000 1.063 282 M CA 1.721 56.956 55.300 -0.109 0.000 1.119 282 M CB -0.239 32.300 32.600 -0.102 0.000 1.377 282 M HN 0.651 nan 8.290 nan 0.000 0.415 283 S N -0.405 115.226 115.700 -0.116 0.000 2.447 283 S HA -0.090 4.380 4.470 -0.000 0.000 0.233 283 S C 1.392 175.992 174.600 -0.001 0.000 1.006 283 S CA 0.848 59.039 58.200 -0.015 0.000 0.957 283 S CB -0.355 62.895 63.200 0.084 0.000 0.773 283 S HN 0.394 nan 8.310 nan 0.000 0.507 284 E N 1.108 121.287 120.200 -0.036 0.000 2.463 284 E HA 0.187 4.537 4.350 -0.000 0.000 0.191 284 E C 1.374 177.969 176.600 -0.009 0.000 1.083 284 E CA 0.478 56.869 56.400 -0.014 0.000 0.872 284 E CB -0.434 29.252 29.700 -0.024 0.000 0.966 284 E HN 0.735 nan 8.360 nan 0.000 0.491 285 G N 0.773 109.566 108.800 -0.012 0.000 2.155 285 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.257 285 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.257 285 G C 0.539 175.436 174.900 -0.005 0.000 0.983 285 G CA 0.565 45.663 45.100 -0.005 0.000 0.676 285 G HN 0.234 nan 8.290 nan 0.000 0.528 286 V N 0.200 120.107 119.914 -0.013 0.000 3.036 286 V HA 0.485 4.605 4.120 -0.000 0.000 0.308 286 V C 0.754 176.843 176.094 -0.007 0.000 1.070 286 V CA -0.192 62.104 62.300 -0.007 0.000 1.056 286 V CB 1.667 33.484 31.823 -0.011 0.000 1.084 286 V HN 0.368 nan 8.190 nan 0.000 0.471 287 D N 1.251 121.655 120.400 0.006 0.000 2.345 287 D HA 0.426 5.065 4.640 -0.000 0.000 0.247 287 D C -0.802 175.501 176.300 0.004 0.000 1.108 287 D CA 0.259 54.265 54.000 0.010 0.000 0.894 287 D CB 1.259 42.076 40.800 0.029 0.000 1.203 287 D HN 0.207 nan 8.370 nan 0.000 0.430 288 V N 4.517 124.427 119.914 -0.006 0.000 2.656 288 V HA 0.545 4.665 4.120 -0.000 0.000 0.307 288 V C -0.168 175.917 176.094 -0.015 0.000 1.051 288 V CA -0.909 61.383 62.300 -0.013 0.000 0.893 288 V CB 1.908 33.704 31.823 -0.045 0.000 0.999 288 V HN 0.490 nan 8.190 nan 0.000 0.426 289 R N 2.595 123.098 120.500 0.005 0.000 2.637 289 R HA 0.778 5.118 4.340 -0.000 0.000 0.291 289 R C -1.421 174.851 176.300 -0.048 0.000 0.963 289 R CA -0.721 55.353 56.100 -0.044 0.000 0.901 289 R CB 2.285 32.617 30.300 0.054 0.000 1.160 289 R HN 0.450 nan 8.270 nan 0.000 0.457 290 V N 3.929 123.738 119.914 -0.175 0.000 2.443 290 V HA 0.401 4.520 4.120 -0.000 0.000 0.293 290 V C -1.183 174.819 176.094 -0.154 0.000 1.021 290 V CA -0.766 61.509 62.300 -0.041 0.000 0.848 290 V CB 1.213 33.049 31.823 0.022 0.000 0.998 290 V HN 0.577 nan 8.190 nan 0.000 0.424 291 Y N 2.571 122.949 120.300 0.130 0.000 2.509 291 Y HA 0.673 5.223 4.550 -0.000 0.000 0.341 291 Y C 0.218 176.066 175.900 -0.087 0.000 1.038 291 Y CA -0.570 57.554 58.100 0.040 0.000 1.089 291 Y CB 1.962 40.430 38.460 0.013 0.000 1.241 291 Y HN 0.659 nan 8.280 nan 0.000 0.468 292 C N 4.592 123.882 119.300 -0.017 0.000 2.369 292 C HA 0.439 4.899 4.460 -0.000 0.000 0.322 292 C C 1.091 175.983 174.990 -0.163 0.000 1.258 292 C CA -0.660 58.132 59.018 -0.378 0.000 1.487 292 C CB -0.607 26.930 27.740 -0.339 0.000 2.165 292 C HN 1.045 nan 8.230 nan 0.000 0.483 293 L N 3.812 124.913 121.223 -0.204 0.000 2.376 293 L HA -0.046 4.294 4.340 -0.000 0.000 0.219 293 L C 2.466 179.325 176.870 -0.019 0.000 1.133 293 L CA 0.800 55.593 54.840 -0.077 0.000 0.816 293 L CB -0.607 41.419 42.059 -0.055 0.000 0.933 293 L HN 0.838 nan 8.230 nan 0.000 0.449 294 H N 0.214 119.220 119.070 -0.107 0.000 2.502 294 H HA -0.034 4.522 4.556 -0.000 0.000 0.283 294 H C 1.385 176.696 175.328 -0.029 0.000 1.015 294 H CA 1.071 57.090 56.048 -0.049 0.000 1.298 294 H CB 0.738 30.460 29.762 -0.066 0.000 1.411 294 H HN 0.394 nan 8.280 nan 0.000 0.556 295 E N -0.069 120.174 120.200 0.071 0.000 2.391 295 E HA 0.088 4.438 4.350 -0.000 0.000 0.206 295 E C -0.267 176.357 176.600 0.041 0.000 0.851 295 E CA -0.042 56.405 56.400 0.078 0.000 1.059 295 E CB 0.950 30.716 29.700 0.112 0.000 1.065 295 E HN 0.375 nan 8.360 nan 0.000 0.512 296 D N 1.694 122.120 120.400 0.042 0.000 2.192 296 D HA 0.229 4.868 4.640 -0.000 0.000 0.246 296 D C -0.692 175.597 176.300 -0.018 0.000 1.042 296 D CA -0.345 53.694 54.000 0.065 0.000 0.847 296 D CB 1.856 42.787 40.800 0.219 0.000 1.186 296 D HN -0.143 nan 8.370 nan 0.000 0.461 297 D N 0.011 120.387 120.400 -0.040 0.000 2.345 297 D HA 0.045 4.684 4.640 -0.000 0.000 0.247 297 D C 1.704 177.923 176.300 -0.135 0.000 1.108 297 D CA -0.448 53.499 54.000 -0.089 0.000 0.894 297 D CB 1.045 41.794 40.800 -0.084 0.000 1.203 297 D HN 0.283 nan 8.370 nan 0.000 0.430 298 R N 1.504 121.915 120.500 -0.149 0.000 2.127 298 R HA -0.151 4.188 4.340 -0.000 0.000 0.238 298 R C 1.603 177.859 176.300 -0.073 0.000 1.134 298 R CA 1.591 57.618 56.100 -0.123 0.000 0.975 298 R CB -0.696 29.499 30.300 -0.175 0.000 0.865 298 R HN 0.425 nan 8.270 nan 0.000 0.447 299 S N 0.314 115.925 115.700 -0.147 0.000 2.402 299 S HA -0.129 4.341 4.470 -0.000 0.000 0.229 299 S C 1.795 176.275 174.600 -0.201 0.000 1.021 299 S CA 1.057 59.156 58.200 -0.169 0.000 0.974 299 S CB 0.099 63.079 63.200 -0.367 0.000 0.800 299 S HN 0.386 nan 8.310 nan 0.000 0.484 300 E N 1.596 121.678 120.200 -0.197 0.000 2.033 300 E HA 0.126 4.475 4.350 -0.000 0.000 0.189 300 E C 1.839 178.232 176.600 -0.345 0.000 0.979 300 E CA 1.140 57.427 56.400 -0.188 0.000 0.802 300 E CB -0.552 29.093 29.700 -0.092 0.000 0.763 300 E HN 0.630 nan 8.360 nan 0.000 0.449 301 I N -0.244 120.011 120.570 -0.525 0.000 2.113 301 I HA -0.338 3.831 4.170 -0.000 0.000 0.242 301 I C 2.272 178.219 176.117 -0.284 0.000 1.064 301 I CA 1.109 62.014 61.300 -0.657 0.000 1.320 301 I CB -0.491 37.248 38.000 -0.436 0.000 1.028 301 I HN 0.032 nan 8.210 nan 0.000 0.406 302 V N 0.926 120.786 119.914 -0.090 0.000 2.392 302 V HA -0.321 3.798 4.120 -0.000 0.000 0.249 302 V C 2.587 178.706 176.094 0.042 0.000 1.059 302 V CA 2.001 64.338 62.300 0.061 0.000 1.051 302 V CB -0.662 31.285 31.823 0.206 0.000 0.658 302 V HN 0.438 nan 8.190 nan 0.000 0.455 303 K N -0.326 120.051 120.400 -0.038 0.000 2.063 303 K HA -0.250 4.070 4.320 -0.000 0.000 0.208 303 K C 1.621 178.204 176.600 -0.028 0.000 1.048 303 K CA 2.098 58.358 56.287 -0.045 0.000 0.928 303 K CB -0.172 32.295 32.500 -0.056 0.000 0.713 303 K HN 0.417 nan 8.250 nan 0.000 0.442 304 D N 0.229 120.617 120.400 -0.021 0.000 2.333 304 D HA 0.035 4.675 4.640 -0.000 0.000 0.208 304 D C 1.796 178.087 176.300 -0.014 0.000 0.984 304 D CA 0.384 54.407 54.000 0.039 0.000 0.873 304 D CB 0.138 41.046 40.800 0.181 0.000 0.935 304 D HN 0.283 nan 8.370 nan 0.000 0.521 305 I N 0.406 120.912 120.570 -0.107 0.000 2.315 305 I HA -0.221 3.949 4.170 -0.000 0.000 0.248 305 I C 2.224 178.148 176.117 -0.321 0.000 1.117 305 I CA 0.396 61.534 61.300 -0.270 0.000 1.404 305 I CB -0.037 37.656 38.000 -0.511 0.000 1.071 305 I HN 0.025 nan 8.210 nan 0.000 0.419 306 L N 0.959 122.108 121.223 -0.123 0.000 2.012 306 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 306 L C 2.149 179.043 176.870 0.040 0.000 1.073 306 L CA 1.996 56.876 54.840 0.066 0.000 0.748 306 L CB -0.607 41.458 42.059 0.011 0.000 0.891 306 L HN 0.186 nan 8.230 nan 0.000 0.431 307 E N -0.511 119.709 120.200 0.034 0.000 2.476 307 E HA 0.145 4.495 4.350 -0.000 0.000 0.191 307 E C 0.178 176.817 176.600 0.065 0.000 1.064 307 E CA 0.061 56.517 56.400 0.093 0.000 0.866 307 E CB 0.053 29.825 29.700 0.120 0.000 0.952 307 E HN 0.368 nan 8.360 nan 0.000 0.492 308 S N -0.616 115.097 115.700 0.022 0.000 2.472 308 S HA 0.450 4.920 4.470 -0.000 0.000 0.303 308 S C 1.017 175.626 174.600 0.016 0.000 1.099 308 S CA -0.492 57.722 58.200 0.023 0.000 1.077 308 S CB 1.904 65.115 63.200 0.018 0.000 1.031 308 S HN 0.261 nan 8.310 nan 0.000 0.487 309 G N 0.991 109.810 108.800 0.031 0.000 2.683 309 G HA2 0.477 4.437 3.960 -0.000 0.000 0.213 309 G HA3 0.477 4.437 3.960 -0.000 0.000 0.213 309 G C 0.186 175.114 174.900 0.046 0.000 1.142 309 G CA 0.379 45.497 45.100 0.030 0.000 0.793 309 G HN 0.908 nan 8.290 nan 0.000 0.534 310 A N -0.257 122.598 122.820 0.058 0.000 2.549 310 A HA 0.737 5.057 4.320 -0.000 0.000 0.297 310 A C -0.991 176.646 177.584 0.089 0.000 1.061 310 A CA -0.748 51.340 52.037 0.085 0.000 0.690 310 A CB 1.372 20.410 19.000 0.062 0.000 1.287 310 A HN 0.700 nan 8.150 nan 0.000 0.402 311 I N -1.659 118.975 120.570 0.106 0.000 3.002 311 I HA 0.976 5.145 4.170 -0.000 0.000 0.310 311 I C -0.291 175.867 176.117 0.068 0.000 1.087 311 I CA -1.159 60.180 61.300 0.065 0.000 1.017 311 I CB 2.499 40.494 38.000 -0.008 0.000 1.226 311 I HN 0.949 nan 8.210 nan 0.000 0.443 312 A N 4.271 127.155 122.820 0.107 0.000 2.385 312 A HA 0.749 5.069 4.320 -0.000 0.000 0.290 312 A C -1.558 176.171 177.584 0.242 0.000 1.094 312 A CA -0.392 51.775 52.037 0.216 0.000 0.729 312 A CB 1.245 20.408 19.000 0.271 0.000 1.194 312 A HN 0.690 nan 8.150 nan 0.000 0.442 313 L N 2.833 124.104 121.223 0.080 0.000 2.287 313 L HA 0.769 5.109 4.340 -0.000 0.000 0.287 313 L C 0.417 176.968 176.870 -0.532 0.000 1.022 313 L CA 0.179 54.942 54.840 -0.128 0.000 0.814 313 L CB 1.437 43.403 42.059 -0.155 0.000 1.217 313 L HN 0.767 nan 8.230 nan 0.000 0.420 314 G N 3.370 111.661 108.800 -0.849 0.000 2.448 314 G HA2 0.873 4.832 3.960 -0.000 0.000 0.324 314 G HA3 0.873 4.832 3.960 -0.000 0.000 0.324 314 G C -1.663 172.934 174.900 -0.505 0.000 1.203 314 G CA -0.140 44.078 45.100 -1.471 0.000 0.954 314 G HN 0.997 nan 8.290 nan 0.000 0.480 315 A N 2.278 124.886 122.820 -0.353 0.000 2.583 315 A HA 0.824 5.144 4.320 -0.000 0.000 0.298 315 A C -3.109 174.436 177.584 -0.065 0.000 1.055 315 A CA -0.991 50.972 52.037 -0.123 0.000 0.714 315 A CB 1.823 20.792 19.000 -0.051 0.000 1.277 315 A HN 0.581 nan 8.150 nan 0.000 0.406 316 P HA 0.375 nan 4.420 nan 0.000 0.276 316 P C -0.035 177.289 177.300 0.040 0.000 1.261 316 P CA 0.059 63.164 63.100 0.009 0.000 0.800 316 P CB 1.050 32.747 31.700 -0.004 0.000 1.066 317 T N 0.445 115.015 114.554 0.026 0.000 2.795 317 T HA 0.532 4.882 4.350 -0.000 0.000 0.282 317 T C -0.369 174.327 174.700 -0.008 0.000 0.980 317 T CA -0.710 61.402 62.100 0.021 0.000 1.012 317 T CB -0.354 68.522 68.868 0.013 0.000 0.936 317 T HN 0.159 nan 8.240 nan 0.000 0.457 318 I N 5.548 126.109 120.570 -0.016 0.000 2.439 318 I HA 0.252 4.422 4.170 -0.000 0.000 0.285 318 I C -0.684 175.401 176.117 -0.054 0.000 1.021 318 I CA -0.926 60.300 61.300 -0.122 0.000 1.091 318 I CB 1.396 39.363 38.000 -0.055 0.000 1.242 318 I HN 0.812 nan 8.210 nan 0.000 0.439 319 Y N 5.286 125.607 120.300 0.036 0.000 2.967 319 Y HA -0.287 4.263 4.550 -0.000 0.000 0.208 319 Y C 0.874 176.784 175.900 0.017 0.000 1.214 319 Y CA 0.899 59.013 58.100 0.024 0.000 0.915 319 Y CB -1.946 36.523 38.460 0.014 0.000 1.218 319 Y HN 0.749 nan 8.280 nan 0.000 0.472 320 D N -1.979 118.491 120.400 0.117 0.000 3.046 320 D HA -0.189 4.451 4.640 -0.000 0.000 0.210 320 D C 0.150 176.485 176.300 0.058 0.000 1.124 320 D CA 1.613 55.659 54.000 0.077 0.000 0.986 320 D CB -0.290 40.558 40.800 0.079 0.000 1.118 320 D HN 0.613 nan 8.370 nan 0.000 0.416 321 E N -0.404 119.831 120.200 0.059 0.000 2.299 321 E HA 0.479 4.828 4.350 -0.000 0.000 0.265 321 E C -2.374 174.245 176.600 0.032 0.000 0.911 321 E CA -1.689 54.735 56.400 0.040 0.000 0.789 321 E CB 1.747 31.470 29.700 0.039 0.000 1.246 321 E HN -0.041 nan 8.360 nan 0.000 0.427 322 P HA 0.027 nan 4.420 nan 0.000 0.272 322 P C -0.310 177.026 177.300 0.060 0.000 1.223 322 P CA -0.233 62.890 63.100 0.038 0.000 0.784 322 P CB 0.247 31.958 31.700 0.017 0.000 0.923 323 Y N 4.837 125.118 120.300 -0.033 0.000 2.805 323 Y HA -0.046 4.503 4.550 -0.000 0.000 0.331 323 Y C -0.867 175.020 175.900 -0.023 0.000 1.241 323 Y CA -0.720 57.363 58.100 -0.028 0.000 1.546 323 Y CB 0.003 38.442 38.460 -0.036 0.000 1.248 323 Y HN 0.366 nan 8.280 nan 0.000 0.559 324 P HA -0.200 nan 4.420 nan 0.000 0.222 324 P C 1.313 178.557 177.300 -0.095 0.000 1.147 324 P CA 1.829 64.808 63.100 -0.202 0.000 0.790 324 P CB -0.008 31.533 31.700 -0.265 0.000 0.780 325 S N -0.323 115.363 115.700 -0.023 0.000 2.399 325 S HA -0.113 4.357 4.470 -0.000 0.000 0.231 325 S C 2.016 176.640 174.600 0.039 0.000 1.022 325 S CA 1.193 59.425 58.200 0.053 0.000 0.983 325 S CB -1.831 61.471 63.200 0.170 0.000 0.803 325 S HN -0.013 nan 8.310 nan 0.000 0.480 326 V N 2.335 122.282 119.914 0.056 0.000 2.453 326 V HA -0.122 3.998 4.120 -0.000 0.000 0.252 326 V C 2.827 178.924 176.094 0.005 0.000 1.068 326 V CA 1.814 64.124 62.300 0.017 0.000 1.070 326 V CB -1.678 30.152 31.823 0.012 0.000 0.664 326 V HN 0.693 nan 8.190 nan 0.000 0.461 327 G N -0.781 108.019 108.800 0.000 0.000 2.421 327 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.217 327 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.217 327 G C 1.418 176.323 174.900 0.009 0.000 1.143 327 G CA 0.811 45.911 45.100 -0.000 0.000 0.784 327 G HN 0.538 nan 8.290 nan 0.000 0.541 328 D N 0.563 120.963 120.400 0.001 0.000 2.077 328 D HA -0.108 4.532 4.640 -0.000 0.000 0.196 328 D C 2.467 178.791 176.300 0.041 0.000 0.986 328 D CA 0.954 54.955 54.000 0.001 0.000 0.829 328 D CB -0.166 40.615 40.800 -0.031 0.000 0.983 328 D HN 0.176 nan 8.370 nan 0.000 0.453 329 L N 0.962 122.208 121.223 0.039 0.000 2.046 329 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 329 L C 2.501 179.440 176.870 0.115 0.000 1.077 329 L CA 1.290 56.184 54.840 0.090 0.000 0.747 329 L CB -0.662 41.419 42.059 0.035 0.000 0.896 329 L HN 0.103 nan 8.230 nan 0.000 0.432 330 L N -1.301 119.957 121.223 0.059 0.000 2.046 330 L HA -0.237 4.103 4.340 -0.000 0.000 0.208 330 L C 2.618 179.540 176.870 0.087 0.000 1.077 330 L CA 1.824 56.696 54.840 0.052 0.000 0.747 330 L CB -0.394 41.676 42.059 0.018 0.000 0.896 330 L HN 0.419 nan 8.230 nan 0.000 0.432 331 M N -1.786 117.868 119.600 0.091 0.000 2.229 331 M HA -0.254 4.225 4.480 -0.000 0.000 0.264 331 M C 2.260 178.657 176.300 0.160 0.000 1.063 331 M CA 1.625 56.985 55.300 0.100 0.000 1.114 331 M CB -0.074 32.571 32.600 0.075 0.000 1.387 331 M HN 0.203 nan 8.290 nan 0.000 0.420 332 Y N 0.812 121.133 120.300 0.034 0.000 2.263 332 Y HA -0.080 4.469 4.550 -0.000 0.000 0.292 332 Y C 1.706 177.655 175.900 0.081 0.000 1.130 332 Y CA 1.428 59.555 58.100 0.044 0.000 1.179 332 Y CB -0.358 38.122 38.460 0.033 0.000 0.998 332 Y HN 0.169 nan 8.280 nan 0.000 0.532 333 L N -0.479 120.818 121.223 0.122 0.000 2.201 333 L HA -0.175 4.164 4.340 -0.000 0.000 0.212 333 L C 2.518 179.459 176.870 0.119 0.000 1.105 333 L CA 0.973 55.900 54.840 0.144 0.000 0.775 333 L CB -0.413 41.794 42.059 0.247 0.000 0.913 333 L HN 0.094 nan 8.230 nan 0.000 0.440 334 R N -0.131 120.424 120.500 0.092 0.000 2.096 334 R HA -0.097 4.243 4.340 -0.000 0.000 0.235 334 R C 2.255 178.564 176.300 0.015 0.000 1.127 334 R CA 1.372 57.511 56.100 0.065 0.000 0.968 334 R CB -0.479 29.857 30.300 0.061 0.000 0.861 334 R HN 0.415 nan 8.270 nan 0.000 0.440 335 G N 0.159 108.952 108.800 -0.011 0.000 2.551 335 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.216 335 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.216 335 G C 1.229 176.050 174.900 -0.132 0.000 1.137 335 G CA -0.060 45.012 45.100 -0.047 0.000 0.798 335 G HN 0.020 nan 8.290 nan 0.000 0.536 336 L N 0.077 121.167 121.223 -0.222 0.000 2.179 336 L HA 0.203 4.543 4.340 -0.000 0.000 0.208 336 L C 1.153 177.815 176.870 -0.348 0.000 1.096 336 L CA 0.759 55.377 54.840 -0.370 0.000 0.779 336 L CB -0.821 40.900 42.059 -0.563 0.000 0.922 336 L HN 0.317 nan 8.230 nan 0.000 0.443 337 K N -0.554 119.739 120.400 -0.178 0.000 3.974 337 K HA -0.251 4.069 4.320 -0.000 0.000 0.280 337 K C 0.784 177.285 176.600 -0.165 0.000 0.949 337 K CA 0.182 56.404 56.287 -0.109 0.000 0.817 337 K CB -2.007 30.438 32.500 -0.091 0.000 1.535 337 K HN 0.066 nan 8.250 nan 0.000 0.444 338 F N 1.447 121.335 119.950 -0.104 0.000 2.269 338 F HA -0.200 4.326 4.527 -0.000 0.000 0.301 338 F C 2.341 178.040 175.800 -0.170 0.000 1.082 338 F CA 1.660 59.575 58.000 -0.143 0.000 1.360 338 F CB -0.133 38.742 39.000 -0.207 0.000 1.041 338 F HN 0.502 nan 8.300 nan 0.000 0.512 339 N N 1.038 119.715 118.700 -0.037 0.000 2.348 339 N HA -0.209 4.530 4.740 -0.000 0.000 0.185 339 N C 1.553 177.047 175.510 -0.025 0.000 1.019 339 N CA 0.994 54.006 53.050 -0.064 0.000 0.880 339 N CB -0.733 37.711 38.487 -0.071 0.000 0.965 339 N HN 0.313 nan 8.380 nan 0.000 0.437 340 R N 0.129 120.614 120.500 -0.025 0.000 2.293 340 R HA -0.024 4.316 4.340 -0.000 0.000 0.219 340 R C 1.577 177.885 176.300 0.013 0.000 1.091 340 R CA 1.624 57.714 56.100 -0.015 0.000 1.004 340 R CB -0.021 30.257 30.300 -0.036 0.000 0.865 340 R HN 0.614 nan 8.270 nan 0.000 0.469 341 T N -3.395 111.179 114.554 0.033 0.000 3.026 341 T HA 0.257 4.607 4.350 -0.000 0.000 0.245 341 T C 0.527 175.257 174.700 0.050 0.000 1.004 341 T CA -0.186 61.953 62.100 0.065 0.000 1.069 341 T CB 0.611 69.549 68.868 0.117 0.000 1.005 341 T HN 0.087 nan 8.240 nan 0.000 0.472 342 L N 1.273 122.516 121.223 0.032 0.000 2.787 342 L HA 0.369 4.709 4.340 -0.000 0.000 0.260 342 L C -1.759 175.079 176.870 -0.053 0.000 0.921 342 L CA -0.560 54.283 54.840 0.004 0.000 0.984 342 L CB 1.954 44.026 42.059 0.022 0.000 1.519 342 L HN 0.003 nan 8.230 nan 0.000 0.452 343 T N 4.175 118.693 114.554 -0.061 0.000 2.775 343 T HA 0.263 4.613 4.350 -0.000 0.000 0.281 343 T C 0.203 174.843 174.700 -0.100 0.000 0.908 343 T CA -0.127 61.910 62.100 -0.105 0.000 1.123 343 T CB -0.227 68.610 68.868 -0.052 0.000 0.879 343 T HN 0.400 nan 8.240 nan 0.000 0.547 344 R N 2.942 123.318 120.500 -0.207 0.000 2.490 344 R HA 0.242 4.582 4.340 -0.000 0.000 0.280 344 R C 0.653 177.007 176.300 0.091 0.000 1.077 344 R CA -0.246 55.810 56.100 -0.073 0.000 1.065 344 R CB 0.553 30.794 30.300 -0.099 0.000 1.003 344 R HN 0.471 nan 8.270 nan 0.000 0.470 345 K N 1.570 122.041 120.400 0.117 0.000 2.237 345 K HA 0.489 4.809 4.320 -0.000 0.000 0.270 345 K C -0.582 176.136 176.600 0.196 0.000 1.015 345 K CA -0.361 56.011 56.287 0.141 0.000 0.949 345 K CB 1.456 34.008 32.500 0.085 0.000 0.976 345 K HN 0.582 nan 8.250 nan 0.000 0.472 346 A N 2.712 125.634 122.820 0.170 0.000 2.398 346 A HA 0.484 4.804 4.320 -0.000 0.000 0.301 346 A C -1.512 176.124 177.584 0.087 0.000 1.041 346 A CA -0.799 51.310 52.037 0.120 0.000 0.711 346 A CB 1.107 20.158 19.000 0.084 0.000 1.240 346 A HN 0.604 nan 8.150 nan 0.000 0.420 347 L N 3.062 124.339 121.223 0.089 0.000 2.329 347 L HA 0.824 5.164 4.340 -0.000 0.000 0.279 347 L C -1.098 175.868 176.870 0.160 0.000 1.014 347 L CA -0.326 54.583 54.840 0.114 0.000 0.814 347 L CB 1.906 44.031 42.059 0.110 0.000 1.257 347 L HN 0.451 nan 8.230 nan 0.000 0.424 348 V N 5.665 125.670 119.914 0.151 0.000 2.555 348 V HA 0.649 4.769 4.120 -0.000 0.000 0.302 348 V C -0.461 175.759 176.094 0.211 0.000 1.038 348 V CA -0.386 61.979 62.300 0.108 0.000 0.887 348 V CB 1.321 33.159 31.823 0.024 0.000 0.991 348 V HN 0.759 nan 8.190 nan 0.000 0.434 349 F N 1.319 121.279 119.950 0.016 0.000 2.685 349 F HA 1.050 5.577 4.527 -0.000 0.000 0.315 349 F C -0.070 175.743 175.800 0.021 0.000 1.126 349 F CA -0.688 57.322 58.000 0.016 0.000 0.950 349 F CB 1.850 40.856 39.000 0.011 0.000 1.360 349 F HN 0.858 nan 8.300 nan 0.000 0.469 350 G N 0.067 108.977 108.800 0.185 0.000 2.355 350 G HA2 0.456 4.416 3.960 -0.000 0.000 0.296 350 G HA3 0.456 4.416 3.960 -0.000 0.000 0.296 350 G C -2.128 172.836 174.900 0.107 0.000 1.507 350 G CA -0.463 44.689 45.100 0.086 0.000 0.823 350 G HN 0.881 nan 8.290 nan 0.000 0.569 351 S N -1.088 114.657 115.700 0.075 0.000 2.646 351 S HA 0.855 5.325 4.470 -0.000 0.000 0.276 351 S C 0.034 174.649 174.600 0.025 0.000 1.222 351 S CA -0.011 58.222 58.200 0.054 0.000 1.014 351 S CB 0.771 64.007 63.200 0.059 0.000 0.991 351 S HN 1.269 nan 8.310 nan 0.000 0.533 352 M N 1.480 121.072 119.600 -0.013 0.000 2.578 352 M HA 0.652 5.131 4.480 -0.000 0.000 0.276 352 M C 0.139 176.308 176.300 -0.219 0.000 1.245 352 M CA -0.534 54.739 55.300 -0.045 0.000 0.871 352 M CB 0.920 33.519 32.600 -0.001 0.000 1.722 352 M HN 0.435 nan 8.290 nan 0.000 0.473 353 G N -1.168 107.513 108.800 -0.199 0.000 3.062 353 G HA2 0.593 4.553 3.960 -0.000 0.000 0.228 353 G HA3 0.593 4.553 3.960 -0.000 0.000 0.228 353 G C 0.237 175.113 174.900 -0.039 0.000 1.094 353 G CA 0.318 45.158 45.100 -0.433 0.000 0.782 353 G HN 1.144 nan 8.290 nan 0.000 0.541 354 G N 0.458 109.272 108.800 0.023 0.000 3.551 354 G HA2 0.108 4.068 3.960 -0.000 0.000 0.174 354 G HA3 0.108 4.068 3.960 -0.000 0.000 0.174 354 G C 0.427 175.328 174.900 0.002 0.000 1.280 354 G CA 0.052 45.174 45.100 0.037 0.000 1.236 354 G HN 0.073 nan 8.290 nan 0.000 0.731 355 N N 0.260 118.965 118.700 0.009 0.000 2.446 355 N HA 0.364 5.104 4.740 -0.000 0.000 0.179 355 N C 1.125 176.639 175.510 0.006 0.000 1.054 355 N CA 1.239 54.290 53.050 0.002 0.000 0.905 355 N CB 0.542 39.035 38.487 0.010 0.000 0.973 355 N HN 1.028 nan 8.380 nan 0.000 0.448 356 G N -0.839 107.968 108.800 0.012 0.000 2.593 356 G HA2 0.010 3.969 3.960 -0.000 0.000 0.237 356 G HA3 0.010 3.969 3.960 -0.000 0.000 0.237 356 G C 0.518 175.429 174.900 0.018 0.000 1.312 356 G CA -0.218 44.890 45.100 0.014 0.000 0.896 356 G HN 0.733 nan 8.290 nan 0.000 0.574 357 G N -3.062 105.748 108.800 0.018 0.000 2.485 357 G HA2 0.322 4.282 3.960 -0.000 0.000 0.181 357 G HA3 0.322 4.282 3.960 -0.000 0.000 0.181 357 G C 1.595 176.504 174.900 0.016 0.000 0.999 357 G CA 1.329 46.440 45.100 0.019 0.000 0.721 357 G HN 2.306 nan 8.290 nan 0.000 0.486 358 A N 0.914 123.742 122.820 0.012 0.000 1.902 358 A HA 0.103 4.423 4.320 -0.000 0.000 0.217 358 A C 2.674 180.253 177.584 -0.007 0.000 1.181 358 A CA 3.362 55.401 52.037 0.003 0.000 0.623 358 A CB -1.177 17.823 19.000 -0.001 0.000 0.818 358 A HN 1.331 nan 8.150 nan 0.000 0.443 359 T N -2.258 112.295 114.554 -0.002 0.000 2.737 359 T HA 0.010 4.360 4.350 -0.000 0.000 0.265 359 T C 1.995 176.700 174.700 0.009 0.000 1.038 359 T CA 1.510 63.611 62.100 0.001 0.000 1.144 359 T CB -1.196 67.688 68.868 0.025 0.000 0.866 359 T HN 0.465 nan 8.240 nan 0.000 0.434 360 G N 1.362 110.170 108.800 0.014 0.000 2.476 360 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.218 360 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.218 360 G C 1.719 176.627 174.900 0.013 0.000 1.164 360 G CA 1.561 46.671 45.100 0.016 0.000 0.768 360 G HN 0.538 nan 8.290 nan 0.000 0.560 361 T N 0.985 115.545 114.554 0.010 0.000 2.857 361 T HA 0.031 4.381 4.350 -0.000 0.000 0.266 361 T C 2.531 177.233 174.700 0.003 0.000 1.048 361 T CA 1.054 63.160 62.100 0.009 0.000 1.139 361 T CB -0.159 68.715 68.868 0.010 0.000 0.874 361 T HN 0.187 nan 8.240 nan 0.000 0.455 362 M N 0.756 120.350 119.600 -0.009 0.000 2.296 362 M HA -0.037 4.442 4.480 -0.000 0.000 0.265 362 M C 2.335 178.625 176.300 -0.016 0.000 1.064 362 M CA 1.264 56.550 55.300 -0.024 0.000 1.109 362 M CB -0.312 32.257 32.600 -0.052 0.000 1.396 362 M HN 0.115 nan 8.290 nan 0.000 0.430 363 K N 0.863 121.263 120.400 0.000 0.000 2.026 363 K HA -0.212 4.107 4.320 -0.000 0.000 0.208 363 K C 1.929 178.546 176.600 0.028 0.000 1.048 363 K CA 1.591 57.888 56.287 0.017 0.000 0.929 363 K CB -0.036 32.478 32.500 0.025 0.000 0.713 363 K HN 0.302 nan 8.250 nan 0.000 0.439 364 E N 0.367 120.582 120.200 0.025 0.000 2.072 364 E HA -0.157 4.192 4.350 -0.000 0.000 0.191 364 E C 2.005 178.628 176.600 0.037 0.000 0.985 364 E CA 0.947 57.366 56.400 0.032 0.000 0.801 364 E CB 0.025 29.740 29.700 0.025 0.000 0.750 364 E HN 0.344 nan 8.360 nan 0.000 0.452 365 L N 0.592 121.832 121.223 0.027 0.000 2.217 365 L HA -0.126 4.214 4.340 -0.000 0.000 0.211 365 L C 2.498 179.397 176.870 0.048 0.000 1.107 365 L CA 0.439 55.298 54.840 0.032 0.000 0.783 365 L CB -0.204 41.866 42.059 0.018 0.000 0.919 365 L HN 0.209 nan 8.230 nan 0.000 0.442 366 L N -0.431 120.811 121.223 0.032 0.000 2.072 366 L HA -0.128 4.212 4.340 -0.000 0.000 0.205 366 L C 2.906 179.889 176.870 0.189 0.000 1.079 366 L CA 1.013 55.885 54.840 0.054 0.000 0.752 366 L CB -0.604 41.412 42.059 -0.071 0.000 0.906 366 L HN 0.211 nan 8.230 nan 0.000 0.436 367 A N 0.010 122.909 122.820 0.131 0.000 1.892 367 A HA -0.272 4.048 4.320 -0.000 0.000 0.218 367 A C 2.142 179.796 177.584 0.117 0.000 1.188 367 A CA 1.965 54.078 52.037 0.128 0.000 0.631 367 A CB -0.557 18.492 19.000 0.082 0.000 0.822 367 A HN 0.460 nan 8.150 nan 0.000 0.447 368 E N -0.596 119.661 120.200 0.095 0.000 2.153 368 E HA -0.102 4.248 4.350 -0.000 0.000 0.194 368 E C 2.018 178.682 176.600 0.107 0.000 0.988 368 E CA 0.823 57.271 56.400 0.081 0.000 0.811 368 E CB -0.234 29.503 29.700 0.060 0.000 0.746 368 E HN 0.637 nan 8.360 nan 0.000 0.466 369 A N 0.207 123.128 122.820 0.169 0.000 2.206 369 A HA 0.200 4.520 4.320 -0.000 0.000 0.211 369 A C 1.501 179.235 177.584 0.250 0.000 1.158 369 A CA 0.857 53.036 52.037 0.237 0.000 0.761 369 A CB -0.096 19.097 19.000 0.321 0.000 0.801 369 A HN 0.306 nan 8.150 nan 0.000 0.473 370 G N -1.865 107.046 108.800 0.185 0.000 2.215 370 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.198 370 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.198 370 G C -0.350 174.474 174.900 -0.127 0.000 1.047 370 G CA -0.239 44.877 45.100 0.027 0.000 0.747 370 G HN 0.267 nan 8.290 nan 0.000 0.495 371 F N 0.830 120.809 119.950 0.048 0.000 2.458 371 F HA 0.411 4.938 4.527 -0.000 0.000 0.336 371 F C 0.478 176.298 175.800 0.033 0.000 1.114 371 F CA -1.285 56.738 58.000 0.038 0.000 0.987 371 F CB 1.637 40.655 39.000 0.030 0.000 1.130 371 F HN 0.089 nan 8.300 nan 0.000 0.458 372 D N 3.597 124.089 120.400 0.152 0.000 2.349 372 D HA 0.058 4.698 4.640 -0.000 0.000 0.266 372 D C -1.044 175.342 176.300 0.143 0.000 1.293 372 D CA 0.458 54.526 54.000 0.113 0.000 0.926 372 D CB 0.915 41.757 40.800 0.070 0.000 1.090 372 D HN 0.352 nan 8.370 nan 0.000 0.502 373 V N 3.568 123.554 119.914 0.120 0.000 2.376 373 V HA 0.678 4.798 4.120 -0.000 0.000 0.287 373 V C -0.767 175.371 176.094 0.072 0.000 1.015 373 V CA -0.325 62.036 62.300 0.102 0.000 0.834 373 V CB 0.933 32.814 31.823 0.097 0.000 1.001 373 V HN 0.651 nan 8.190 nan 0.000 0.428 374 A N 4.714 127.574 122.820 0.066 0.000 2.454 374 A HA 0.867 5.186 4.320 -0.000 0.000 0.302 374 A C -0.239 177.378 177.584 0.055 0.000 1.079 374 A CA -0.186 51.883 52.037 0.054 0.000 0.731 374 A CB 1.420 20.448 19.000 0.047 0.000 1.299 374 A HN 1.763 nan 8.150 nan 0.000 0.413 375 C N 0.495 119.825 119.300 0.049 0.000 0.170 375 C HA -0.001 4.458 4.460 -0.000 0.000 0.018 375 C C -0.163 174.865 174.990 0.064 0.000 0.171 375 C CA 0.798 59.847 59.018 0.051 0.000 0.505 375 C CB -1.891 25.878 27.740 0.049 0.000 3.211 375 C HN 1.188 nan 8.230 nan 0.000 1.118 376 E N 2.005 122.243 120.200 0.063 0.000 2.293 376 E HA 0.760 5.110 4.350 -0.000 0.000 0.270 376 E C -1.143 175.509 176.600 0.086 0.000 0.879 376 E CA -0.747 55.701 56.400 0.081 0.000 0.756 376 E CB 1.900 31.639 29.700 0.064 0.000 1.208 376 E HN 0.495 nan 8.360 nan 0.000 0.428 377 E N 1.993 122.268 120.200 0.125 0.000 2.129 377 E HA 0.267 4.616 4.350 -0.000 0.000 0.268 377 E C -1.246 175.433 176.600 0.132 0.000 0.900 377 E CA -0.400 56.069 56.400 0.115 0.000 0.755 377 E CB 1.827 31.588 29.700 0.101 0.000 1.117 377 E HN 0.567 nan 8.360 nan 0.000 0.410 378 E N 1.976 122.230 120.200 0.089 0.000 2.210 378 E HA 0.501 4.851 4.350 -0.000 0.000 0.266 378 E C -1.320 175.324 176.600 0.073 0.000 0.883 378 E CA -0.733 55.715 56.400 0.080 0.000 0.761 378 E CB 1.694 31.428 29.700 0.057 0.000 1.156 378 E HN 0.113 nan 8.360 nan 0.000 0.412 379 V N 3.924 123.886 119.914 0.080 0.000 2.789 379 V HA 0.233 4.353 4.120 -0.000 0.000 0.311 379 V C -1.069 175.086 176.094 0.101 0.000 1.073 379 V CA -0.895 61.457 62.300 0.087 0.000 0.921 379 V CB 1.779 33.648 31.823 0.077 0.000 1.009 379 V HN 0.696 nan 8.190 nan 0.000 0.426 380 Y N 4.867 125.141 120.300 -0.044 0.000 2.452 380 Y HA 0.462 5.012 4.550 -0.000 0.000 0.348 380 Y C 0.459 176.341 175.900 -0.029 0.000 0.985 380 Y CA 0.251 58.272 58.100 -0.132 0.000 1.214 380 Y CB -0.108 38.276 38.460 -0.126 0.000 1.136 380 Y HN 0.729 nan 8.280 nan 0.000 0.523 381 Y N 1.042 121.156 120.300 -0.310 0.000 2.875 381 Y HA -0.384 4.166 4.550 -0.000 0.000 0.467 381 Y C 0.263 176.084 175.900 -0.133 0.000 1.183 381 Y CA 0.274 58.192 58.100 -0.304 0.000 2.568 381 Y CB -1.746 36.404 38.460 -0.517 0.000 1.216 381 Y HN 0.295 nan 8.280 nan 0.000 0.629 382 V N 5.090 125.055 119.914 0.085 0.000 2.415 382 V HA 0.174 4.293 4.120 -0.000 0.000 0.267 382 V C -1.852 174.264 176.094 0.036 0.000 1.042 382 V CA -1.127 61.191 62.300 0.030 0.000 1.000 382 V CB 0.399 32.215 31.823 -0.012 0.000 1.015 382 V HN 0.323 nan 8.190 nan 0.000 0.478 383 P HA 0.111 nan 4.420 nan 0.000 0.267 383 P C 0.417 177.730 177.300 0.021 0.000 1.209 383 P CA 0.013 63.132 63.100 0.031 0.000 0.763 383 P CB 0.422 32.133 31.700 0.018 0.000 0.816 384 T N 0.046 114.618 114.554 0.030 0.000 2.640 384 T HA 0.108 4.458 4.350 -0.000 0.000 0.316 384 T C 1.880 176.587 174.700 0.011 0.000 1.036 384 T CA 0.279 62.391 62.100 0.020 0.000 1.009 384 T CB -0.292 68.591 68.868 0.026 0.000 1.017 384 T HN 0.430 nan 8.240 nan 0.000 0.530 385 G N -0.247 108.556 108.800 0.005 0.000 2.442 385 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.219 385 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.219 385 G C 1.271 176.169 174.900 -0.003 0.000 1.141 385 G CA 0.732 45.831 45.100 -0.001 0.000 0.763 385 G HN 0.837 nan 8.290 nan 0.000 0.554 386 D N 0.360 120.760 120.400 0.000 0.000 2.194 386 D HA -0.028 4.611 4.640 -0.000 0.000 0.204 386 D C 2.349 178.654 176.300 0.009 0.000 0.964 386 D CA 0.627 54.626 54.000 -0.001 0.000 0.846 386 D CB -0.005 40.795 40.800 0.000 0.000 0.962 386 D HN 0.426 nan 8.370 nan 0.000 0.490 387 E N 0.501 120.711 120.200 0.017 0.000 2.153 387 E HA -0.090 4.260 4.350 -0.000 0.000 0.194 387 E C 2.248 178.859 176.600 0.019 0.000 0.988 387 E CA 0.434 56.848 56.400 0.023 0.000 0.811 387 E CB 0.052 29.772 29.700 0.032 0.000 0.746 387 E HN 0.257 nan 8.360 nan 0.000 0.466 388 L N 0.889 122.121 121.223 0.016 0.000 2.156 388 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 388 L C 1.684 178.588 176.870 0.057 0.000 1.095 388 L CA 0.590 55.444 54.840 0.022 0.000 0.770 388 L CB -0.215 41.855 42.059 0.018 0.000 0.914 388 L HN 0.053 nan 8.230 nan 0.000 0.439 389 D N 0.622 121.040 120.400 0.030 0.000 2.144 389 D HA -0.151 4.489 4.640 -0.000 0.000 0.199 389 D C 2.256 178.597 176.300 0.068 0.000 0.984 389 D CA 1.480 55.490 54.000 0.016 0.000 0.834 389 D CB -0.008 40.764 40.800 -0.047 0.000 0.955 389 D HN 0.289 nan 8.370 nan 0.000 0.465 390 A N 0.127 122.975 122.820 0.046 0.000 1.969 390 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 390 A C 2.469 180.084 177.584 0.052 0.000 1.169 390 A CA 0.997 53.063 52.037 0.048 0.000 0.635 390 A CB -0.819 18.200 19.000 0.030 0.000 0.810 390 A HN 0.326 nan 8.150 nan 0.000 0.445 391 C N -2.125 117.196 119.300 0.036 0.000 2.453 391 C HA -0.023 4.436 4.460 -0.000 0.000 0.277 391 C C 2.357 177.352 174.990 0.007 0.000 1.262 391 C CA 0.817 59.820 59.018 -0.024 0.000 1.718 391 C CB -1.580 26.112 27.740 -0.081 0.000 2.031 391 C HN 0.708 nan 8.230 nan 0.000 0.480 392 F N 2.281 122.187 119.950 -0.072 0.000 2.043 392 F HA -0.284 4.243 4.527 -0.000 0.000 0.297 392 F C 2.459 178.232 175.800 -0.045 0.000 1.118 392 F CA 2.457 60.423 58.000 -0.057 0.000 1.202 392 F CB -0.340 38.636 39.000 -0.040 0.000 0.965 392 F HN 0.214 nan 8.300 nan 0.000 0.482 393 E N 0.828 121.242 120.200 0.355 0.000 2.085 393 E HA -0.227 4.123 4.350 -0.000 0.000 0.194 393 E C 2.032 178.677 176.600 0.075 0.000 0.994 393 E CA 1.622 58.152 56.400 0.218 0.000 0.801 393 E CB -0.634 29.149 29.700 0.139 0.000 0.743 393 E HN 0.440 nan 8.360 nan 0.000 0.453 394 A N 0.160 122.999 122.820 0.031 0.000 1.908 394 A HA -0.059 4.261 4.320 -0.000 0.000 0.218 394 A C 2.485 180.040 177.584 -0.049 0.000 1.181 394 A CA 1.843 53.875 52.037 -0.008 0.000 0.627 394 A CB -1.327 17.660 19.000 -0.022 0.000 0.818 394 A HN 0.437 nan 8.150 nan 0.000 0.445 395 G N -1.102 107.631 108.800 -0.112 0.000 2.403 395 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.216 395 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.216 395 G C 1.735 176.540 174.900 -0.158 0.000 1.154 395 G CA 0.823 45.825 45.100 -0.164 0.000 0.784 395 G HN 0.501 nan 8.290 nan 0.000 0.538 396 R N 0.626 121.026 120.500 -0.166 0.000 2.066 396 R HA -0.017 4.323 4.340 -0.000 0.000 0.232 396 R C 2.466 178.747 176.300 -0.032 0.000 1.131 396 R CA 1.613 57.647 56.100 -0.109 0.000 0.955 396 R CB -0.326 29.967 30.300 -0.012 0.000 0.851 396 R HN 0.333 nan 8.270 nan 0.000 0.432 397 K N 0.729 121.126 120.400 -0.005 0.000 2.057 397 K HA -0.145 4.174 4.320 -0.000 0.000 0.207 397 K C 2.230 178.832 176.600 0.004 0.000 1.049 397 K CA 1.166 57.459 56.287 0.010 0.000 0.931 397 K CB -0.191 32.322 32.500 0.021 0.000 0.714 397 K HN 0.218 nan 8.250 nan 0.000 0.440 398 L N 0.577 121.797 121.223 -0.005 0.000 1.990 398 L HA -0.226 4.114 4.340 -0.000 0.000 0.213 398 L C 2.465 179.336 176.870 0.001 0.000 1.072 398 L CA 1.835 56.677 54.840 0.003 0.000 0.755 398 L CB -0.524 41.533 42.059 -0.004 0.000 0.889 398 L HN 0.358 nan 8.230 nan 0.000 0.432 399 A N -0.818 121.991 122.820 -0.018 0.000 1.969 399 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 399 A C 2.387 179.969 177.584 -0.004 0.000 1.169 399 A CA 1.376 53.404 52.037 -0.015 0.000 0.635 399 A CB -0.599 18.378 19.000 -0.038 0.000 0.810 399 A HN 0.547 nan 8.150 nan 0.000 0.445 400 A N -0.168 122.651 122.820 -0.002 0.000 1.933 400 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 400 A C 1.940 179.532 177.584 0.013 0.000 1.175 400 A CA 2.069 54.111 52.037 0.008 0.000 0.628 400 A CB -0.419 18.589 19.000 0.013 0.000 0.814 400 A HN 0.515 nan 8.150 nan 0.000 0.444 401 E N -0.008 120.201 120.200 0.015 0.000 2.204 401 E HA -0.106 4.244 4.350 -0.000 0.000 0.194 401 E C 1.303 177.916 176.600 0.021 0.000 0.989 401 E CA 1.294 57.706 56.400 0.020 0.000 0.824 401 E CB -0.287 29.428 29.700 0.025 0.000 0.756 401 E HN 0.776 nan 8.360 nan 0.000 0.477 402 I N -2.062 118.519 120.570 0.020 0.000 3.904 402 I HA 0.286 4.456 4.170 -0.000 0.000 0.333 402 I C 0.597 176.725 176.117 0.018 0.000 1.361 402 I CA -0.250 61.062 61.300 0.021 0.000 1.116 402 I CB 0.215 38.231 38.000 0.026 0.000 1.028 402 I HN -0.212 nan 8.210 nan 0.000 0.398 403 R N 0.000 120.509 120.500 0.015 0.000 2.786 403 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 403 R CA 0.000 56.108 56.100 0.014 0.000 0.921 403 R CB 0.000 30.307 30.300 0.012 0.000 0.687 403 R HN 0.000 nan 8.270 nan 0.000 0.535