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 1v0f_1_B DATA FIRST_RESID 245 DATA SEQUENCE SAKGDGVTDD TAALTSALND TPVGQKINGN GKTYKVTSLP DISRFINTRF DATA SEQUENCE VYERIPGQPL YYASEEFVQG ELFKITDTPY YNAWPQDKAF VYENVIYAPY DATA SEQUENCE MGSDRHGVSR LHVSWVKSGD DGQTWSTPEW LTDLHPDYPT VNYHCMSMGV DATA SEQUENCE CRNRLFAMIE TRTLAKNALT NCALWDRPMS RSLHLTGGIT KAANQRYATI DATA SEQUENCE HVPDHGLFVG DFVNFSNSAV TGVSGDMTVA TVIDKDNFTV LTPNQQTSDL DATA SEQUENCE NNAGKNWHMG TSFHKSPWRK TDLGLIPSVT EVHSFATIDN NGFAMGYHQG DATA SEQUENCE DVAPREVGLF YFPDAFNSPS NYVRRQIPSE YEPDASEPCI KYYDGVLYLI DATA SEQUENCE TRGTRGDRLG SSLHRSRDIG QTWESLRFPH NVHHTTLPFA KVGDDLIMFG DATA SEQUENCE SERAENEWEA GAPDDRYKAS YPRTFYARLN VNNWNADDIE WVNITDQIYQ DATA SEQUENCE GGIVNSGVGV GSVVVKDNYI YYMFGGEDHF NPWTYGDNSA KDPFKSDGHP DATA SEQUENCE SDLYCYKMKI GPDNRVSRDF RYGAVPNRAV PVFFDTNGVR TVPAPMEFTG DATA SEQUENCE DLGLGHVTIR ASTSSNIRSE VLMEGEYGFI GKSIPTDNPA GQRIIFCGGE DATA SEQUENCE GTSSTTGAQI TLYGANNTDS RRIVYNGDEH LFQSADVKPY NDNVTALGGP DATA SEQUENCE SNRFTTAYLG SNPIVT 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 245 S HA 0.000 nan 4.470 nan 0.000 0.327 245 S C 0.000 174.657 174.600 0.095 0.000 1.055 245 S CA 0.000 58.242 58.200 0.069 0.000 1.107 245 S CB 0.000 63.238 63.200 0.063 0.000 0.593 246 A N 2.208 125.113 122.820 0.141 0.000 2.425 246 A HA 0.558 4.877 4.320 -0.000 0.000 0.249 246 A C 1.170 178.870 177.584 0.195 0.000 1.084 246 A CA -0.508 51.656 52.037 0.211 0.000 0.781 246 A CB 0.198 19.393 19.000 0.326 0.000 1.019 246 A HN 0.836 nan 8.150 nan 0.000 0.490 247 K N 2.122 122.600 120.400 0.131 0.000 2.137 247 K HA 0.084 4.404 4.320 -0.000 0.000 0.202 247 K C 1.145 177.696 176.600 -0.081 0.000 1.052 247 K CA 0.802 57.111 56.287 0.036 0.000 0.961 247 K CB -0.185 32.324 32.500 0.015 0.000 0.741 247 K HN 1.545 nan 8.250 nan 0.000 0.452 248 G N 4.214 112.871 108.800 -0.239 0.000 2.371 248 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.299 248 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.299 248 G C -0.099 174.554 174.900 -0.411 0.000 1.014 248 G CA 0.913 45.519 45.100 -0.823 0.000 1.097 248 G HN 0.566 nan 8.290 nan 0.000 0.512 249 D N -1.847 118.421 120.400 -0.219 0.000 2.433 249 D HA 0.380 5.020 4.640 -0.000 0.000 0.211 249 D C 1.819 178.068 176.300 -0.085 0.000 1.114 249 D CA 0.504 54.432 54.000 -0.120 0.000 0.837 249 D CB -0.202 40.560 40.800 -0.063 0.000 0.984 249 D HN 1.412 nan 8.370 nan 0.000 0.505 250 G N 0.161 108.901 108.800 -0.099 0.000 2.184 250 G HA2 -0.320 3.639 3.960 -0.000 0.000 0.264 250 G HA3 -0.320 3.639 3.960 -0.000 0.000 0.264 250 G C 0.963 175.861 174.900 -0.003 0.000 0.975 250 G CA 1.147 46.230 45.100 -0.029 0.000 0.642 250 G HN 0.945 nan 8.290 nan 0.000 0.536 251 V N -4.496 115.412 119.914 -0.009 0.000 3.229 251 V HA 0.416 4.536 4.120 -0.000 0.000 0.239 251 V C 1.129 177.228 176.094 0.009 0.000 1.390 251 V CA 1.155 63.456 62.300 0.002 0.000 1.231 251 V CB 0.017 31.841 31.823 0.002 0.000 1.025 251 V HN 0.280 nan 8.190 nan 0.000 0.461 252 T N 3.140 117.699 114.554 0.008 0.000 2.870 252 T HA 0.235 4.585 4.350 -0.000 0.000 0.300 252 T C -0.331 174.393 174.700 0.040 0.000 0.989 252 T CA 0.530 62.642 62.100 0.020 0.000 1.139 252 T CB 0.751 69.631 68.868 0.019 0.000 0.920 252 T HN 0.534 nan 8.240 nan 0.000 0.537 253 D N 2.105 122.529 120.400 0.041 0.000 2.363 253 D HA 0.017 4.657 4.640 -0.000 0.000 0.263 253 D C 0.328 176.670 176.300 0.070 0.000 1.258 253 D CA -0.166 53.865 54.000 0.053 0.000 0.907 253 D CB 0.466 41.289 40.800 0.038 0.000 1.107 253 D HN 0.348 nan 8.370 nan 0.000 0.495 254 D N 2.573 123.035 120.400 0.104 0.000 2.369 254 D HA -0.007 4.632 4.640 -0.000 0.000 0.211 254 D C 1.437 177.796 176.300 0.098 0.000 1.077 254 D CA 0.166 54.248 54.000 0.137 0.000 0.842 254 D CB 0.492 41.450 40.800 0.264 0.000 0.947 254 D HN 0.404 nan 8.370 nan 0.000 0.509 255 T N 0.832 115.421 114.554 0.059 0.000 2.607 255 T HA -0.218 4.132 4.350 -0.000 0.000 0.267 255 T C 2.048 176.759 174.700 0.019 0.000 1.049 255 T CA 1.852 63.962 62.100 0.017 0.000 1.162 255 T CB -0.075 68.788 68.868 -0.008 0.000 0.863 255 T HN 0.241 nan 8.240 nan 0.000 0.424 256 A N 1.339 124.174 122.820 0.024 0.000 1.898 256 A HA 0.181 4.500 4.320 -0.000 0.000 0.216 256 A C 2.679 180.284 177.584 0.034 0.000 1.181 256 A CA 1.935 53.985 52.037 0.022 0.000 0.620 256 A CB -1.238 17.774 19.000 0.019 0.000 0.819 256 A HN 0.521 nan 8.150 nan 0.000 0.442 257 A N -0.455 122.396 122.820 0.051 0.000 1.873 257 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 257 A C 2.032 179.657 177.584 0.067 0.000 1.193 257 A CA 1.983 54.058 52.037 0.063 0.000 0.629 257 A CB -0.663 18.392 19.000 0.091 0.000 0.826 257 A HN 0.415 nan 8.150 nan 0.000 0.447 258 L N -0.517 120.754 121.223 0.081 0.000 2.083 258 L HA -0.095 4.245 4.340 -0.000 0.000 0.209 258 L C 2.694 179.619 176.870 0.092 0.000 1.083 258 L CA 2.322 57.228 54.840 0.111 0.000 0.752 258 L CB -1.523 40.608 42.059 0.119 0.000 0.899 258 L HN 0.398 nan 8.230 nan 0.000 0.433 259 T N -1.395 113.187 114.554 0.047 0.000 2.777 259 T HA -0.158 4.192 4.350 -0.000 0.000 0.266 259 T C 2.132 176.840 174.700 0.014 0.000 1.040 259 T CA 1.581 63.694 62.100 0.021 0.000 1.141 259 T CB -0.092 68.775 68.868 -0.002 0.000 0.868 259 T HN 0.519 nan 8.240 nan 0.000 0.444 260 S N 1.536 117.246 115.700 0.017 0.000 2.368 260 S HA -0.053 4.417 4.470 -0.000 0.000 0.225 260 S C 2.412 177.014 174.600 0.004 0.000 1.030 260 S CA 1.388 59.594 58.200 0.009 0.000 0.999 260 S CB -0.572 62.636 63.200 0.013 0.000 0.844 260 S HN 0.465 nan 8.310 nan 0.000 0.459 261 A N 1.909 124.737 122.820 0.013 0.000 1.865 261 A HA 0.017 4.336 4.320 -0.000 0.000 0.217 261 A C 2.386 179.947 177.584 -0.038 0.000 1.191 261 A CA 1.758 53.792 52.037 -0.005 0.000 0.623 261 A CB -1.124 17.883 19.000 0.011 0.000 0.826 261 A HN 0.586 nan 8.150 nan 0.000 0.444 262 L N -0.469 120.733 121.223 -0.035 0.000 2.042 262 L HA -0.261 4.079 4.340 -0.000 0.000 0.210 262 L C 2.346 179.183 176.870 -0.054 0.000 1.076 262 L CA 1.921 56.719 54.840 -0.070 0.000 0.749 262 L CB -0.628 41.409 42.059 -0.036 0.000 0.893 262 L HN 0.519 nan 8.230 nan 0.000 0.432 263 N N -0.513 118.168 118.700 -0.032 0.000 2.223 263 N HA -0.178 4.561 4.740 -0.000 0.000 0.185 263 N C 0.679 176.172 175.510 -0.029 0.000 1.016 263 N CA 1.167 54.201 53.050 -0.028 0.000 0.863 263 N CB 0.009 38.485 38.487 -0.018 0.000 0.983 263 N HN 0.322 nan 8.380 nan 0.000 0.429 264 D N -0.722 119.660 120.400 -0.029 0.000 2.349 264 D HA 0.022 4.662 4.640 -0.000 0.000 0.214 264 D C -0.015 176.264 176.300 -0.035 0.000 1.063 264 D CA 0.455 54.439 54.000 -0.026 0.000 0.847 264 D CB 0.344 41.133 40.800 -0.017 0.000 0.933 264 D HN 0.237 nan 8.370 nan 0.000 0.513 265 T N -1.859 112.665 114.554 -0.050 0.000 2.887 265 T HA 0.632 4.982 4.350 -0.000 0.000 0.288 265 T C -2.800 171.863 174.700 -0.062 0.000 1.021 265 T CA -2.218 59.846 62.100 -0.060 0.000 1.000 265 T CB 2.034 70.850 68.868 -0.087 0.000 1.034 265 T HN -0.328 nan 8.240 nan 0.000 0.467 266 P HA 0.137 nan 4.420 nan 0.000 0.268 266 P C 1.561 178.824 177.300 -0.062 0.000 1.205 266 P CA -0.646 62.424 63.100 -0.049 0.000 0.771 266 P CB 0.491 32.167 31.700 -0.039 0.000 0.858 267 V N 0.899 120.780 119.914 -0.055 0.000 2.660 267 V HA -0.149 3.971 4.120 -0.000 0.000 0.257 267 V C 1.850 177.908 176.094 -0.060 0.000 1.088 267 V CA 2.185 64.448 62.300 -0.061 0.000 1.106 267 V CB -1.845 29.950 31.823 -0.046 0.000 0.686 267 V HN 0.661 nan 8.190 nan 0.000 0.481 268 G N -0.449 108.322 108.800 -0.049 0.000 2.712 268 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.212 268 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.212 268 G C 0.784 175.655 174.900 -0.048 0.000 1.142 268 G CA 0.318 45.393 45.100 -0.041 0.000 0.789 268 G HN 0.621 nan 8.290 nan 0.000 0.535 269 Q N 1.537 121.298 119.800 -0.064 0.000 2.293 269 Q HA 0.231 4.571 4.340 -0.000 0.000 0.263 269 Q C -0.149 175.794 176.000 -0.096 0.000 1.002 269 Q CA -0.180 55.581 55.803 -0.070 0.000 0.910 269 Q CB 0.537 29.231 28.738 -0.073 0.000 1.185 269 Q HN -0.043 nan 8.270 nan 0.000 0.401 270 K N 5.579 125.937 120.400 -0.070 0.000 2.338 270 K HA 0.188 4.508 4.320 -0.000 0.000 0.290 270 K C -0.306 176.238 176.600 -0.093 0.000 1.069 270 K CA -0.110 56.134 56.287 -0.073 0.000 0.941 270 K CB 0.233 32.720 32.500 -0.021 0.000 1.023 270 K HN 0.706 nan 8.250 nan 0.000 0.477 271 I N 2.992 123.446 120.570 -0.193 0.000 2.436 271 I HA -0.036 4.134 4.170 -0.000 0.000 0.289 271 I C 0.745 176.840 176.117 -0.036 0.000 1.083 271 I CA -0.276 60.906 61.300 -0.198 0.000 1.372 271 I CB 0.035 37.739 38.000 -0.493 0.000 1.408 271 I HN 0.354 nan 8.210 nan 0.000 0.516 272 N N 5.375 124.086 118.700 0.018 0.000 2.422 272 N HA 0.170 4.910 4.740 -0.000 0.000 0.264 272 N C 0.788 176.371 175.510 0.121 0.000 1.063 272 N CA -0.043 53.055 53.050 0.080 0.000 0.959 272 N CB 1.799 40.323 38.487 0.062 0.000 1.087 272 N HN 0.743 nan 8.380 nan 0.000 0.483 273 G N 2.136 111.037 108.800 0.170 0.000 2.985 273 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.209 273 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.209 273 G C 0.368 175.438 174.900 0.283 0.000 1.165 273 G CA -0.321 44.914 45.100 0.224 0.000 0.776 273 G HN 0.804 nan 8.290 nan 0.000 0.541 274 N N -0.159 118.654 118.700 0.189 0.000 2.708 274 N HA -0.230 4.509 4.740 -0.000 0.000 0.249 274 N C 1.479 177.079 175.510 0.149 0.000 1.097 274 N CA 1.430 54.566 53.050 0.144 0.000 0.710 274 N CB -1.341 37.215 38.487 0.116 0.000 1.032 274 N HN 0.991 nan 8.380 nan 0.000 0.551 275 G N -1.128 107.804 108.800 0.220 0.000 2.162 275 G HA2 -0.355 3.604 3.960 -0.000 0.000 0.260 275 G HA3 -0.355 3.604 3.960 -0.000 0.000 0.260 275 G C 0.128 175.224 174.900 0.326 0.000 0.976 275 G CA 0.923 46.188 45.100 0.274 0.000 0.655 275 G HN 0.532 nan 8.290 nan 0.000 0.533 276 K N 0.219 120.750 120.400 0.218 0.000 2.090 276 K HA 0.560 4.880 4.320 -0.000 0.000 0.250 276 K C -0.039 176.514 176.600 -0.079 0.000 1.004 276 K CA -0.124 56.168 56.287 0.008 0.000 0.919 276 K CB 0.820 33.217 32.500 -0.172 0.000 1.045 276 K HN 0.080 nan 8.250 nan 0.000 0.471 277 T N 1.894 116.302 114.554 -0.243 0.000 2.771 277 T HA 0.344 4.694 4.350 -0.000 0.000 0.281 277 T C -1.097 173.398 174.700 -0.342 0.000 0.982 277 T CA -0.486 61.502 62.100 -0.187 0.000 0.978 277 T CB 0.189 69.036 68.868 -0.035 0.000 0.930 277 T HN 0.267 nan 8.240 nan 0.000 0.447 278 Y N 1.879 122.115 120.300 -0.107 0.000 2.328 278 Y HA 0.408 4.958 4.550 -0.000 0.000 0.336 278 Y C 0.600 176.540 175.900 0.066 0.000 0.960 278 Y CA -1.107 56.983 58.100 -0.016 0.000 1.134 278 Y CB 1.264 39.710 38.460 -0.024 0.000 1.166 278 Y HN 0.299 nan 8.280 nan 0.000 0.464 279 K N 4.270 124.764 120.400 0.156 0.000 2.322 279 K HA 0.463 4.783 4.320 -0.000 0.000 0.283 279 K C -0.914 175.768 176.600 0.137 0.000 1.042 279 K CA -0.112 56.244 56.287 0.115 0.000 0.958 279 K CB 0.532 33.066 32.500 0.057 0.000 0.984 279 K HN 0.652 nan 8.250 nan 0.000 0.473 280 V N 0.422 120.410 119.914 0.122 0.000 2.962 280 V HA 0.387 4.507 4.120 -0.000 0.000 0.313 280 V C 0.740 176.892 176.094 0.096 0.000 1.099 280 V CA -0.530 61.804 62.300 0.057 0.000 0.971 280 V CB 1.396 33.173 31.823 -0.077 0.000 1.028 280 V HN 0.815 nan 8.190 nan 0.000 0.430 281 T N -1.660 112.924 114.554 0.051 0.000 3.081 281 T HA 0.311 4.661 4.350 -0.000 0.000 0.250 281 T C 0.685 175.438 174.700 0.087 0.000 1.100 281 T CA 0.627 62.792 62.100 0.109 0.000 1.038 281 T CB 0.026 68.927 68.868 0.055 0.000 0.962 281 T HN 0.805 nan 8.240 nan 0.000 0.516 282 S N -0.064 115.539 115.700 -0.161 0.000 2.541 282 S HA 0.602 5.072 4.470 -0.000 0.000 0.271 282 S C -0.977 173.204 174.600 -0.698 0.000 1.133 282 S CA -0.863 57.071 58.200 -0.443 0.000 0.876 282 S CB 1.271 64.320 63.200 -0.252 0.000 1.105 282 S HN 0.390 nan 8.310 nan 0.000 0.470 283 L N 4.971 125.585 121.223 -1.016 0.000 2.410 283 L HA 0.312 4.652 4.340 -0.000 0.000 0.273 283 L C -1.401 175.067 176.870 -0.669 0.000 1.144 283 L CA -1.015 53.248 54.840 -0.961 0.000 0.863 283 L CB 0.153 41.619 42.059 -0.988 0.000 1.140 283 L HN 0.514 nan 8.230 nan 0.000 0.463 284 P HA 0.064 nan 4.420 nan 0.000 0.323 284 P C -0.791 176.333 177.300 -0.294 0.000 1.309 284 P CA -0.561 62.300 63.100 -0.398 0.000 0.739 284 P CB 0.491 32.001 31.700 -0.317 0.000 1.454 285 D N -0.113 120.253 120.400 -0.057 0.000 2.441 285 D HA 0.063 4.703 4.640 -0.000 0.000 0.243 285 D C 1.337 177.743 176.300 0.177 0.000 1.257 285 D CA 0.060 54.072 54.000 0.019 0.000 1.027 285 D CB -0.681 40.140 40.800 0.036 0.000 1.084 285 D HN 0.160 nan 8.370 nan 0.000 0.514 286 I N 1.717 122.311 120.570 0.040 0.000 2.335 286 I HA -0.320 3.850 4.170 -0.000 0.000 0.251 286 I C 2.383 178.687 176.117 0.312 0.000 1.129 286 I CA 1.062 62.480 61.300 0.195 0.000 1.402 286 I CB -0.120 37.925 38.000 0.076 0.000 1.069 286 I HN 0.350 nan 8.210 nan 0.000 0.424 287 S N 0.698 116.495 115.700 0.161 0.000 2.469 287 S HA -0.156 4.314 4.470 -0.000 0.000 0.238 287 S C 1.943 176.603 174.600 0.100 0.000 0.998 287 S CA 0.801 59.067 58.200 0.110 0.000 0.957 287 S CB -0.385 62.839 63.200 0.040 0.000 0.764 287 S HN 0.451 nan 8.310 nan 0.000 0.514 288 R N -0.593 119.971 120.500 0.107 0.000 2.317 288 R HA 0.339 4.679 4.340 -0.000 0.000 0.208 288 R C -0.746 175.424 176.300 -0.217 0.000 0.914 288 R CA -0.002 56.042 56.100 -0.093 0.000 1.060 288 R CB 0.095 30.264 30.300 -0.218 0.000 1.015 288 R HN 0.394 nan 8.270 nan 0.000 0.498 289 F N 0.982 120.967 119.950 0.058 0.000 2.458 289 F HA 0.426 4.952 4.527 -0.000 0.000 0.330 289 F C 0.489 176.321 175.800 0.054 0.000 1.082 289 F CA -1.395 56.638 58.000 0.054 0.000 0.995 289 F CB 1.132 40.186 39.000 0.091 0.000 1.170 289 F HN -0.178 nan 8.300 nan 0.000 0.478 290 I N -0.549 120.148 120.570 0.210 0.000 2.797 290 I HA 0.590 4.759 4.170 -0.000 0.000 0.307 290 I C 0.023 176.255 176.117 0.192 0.000 1.033 290 I CA -1.198 60.205 61.300 0.171 0.000 1.071 290 I CB 1.746 39.809 38.000 0.104 0.000 1.255 290 I HN 0.638 nan 8.210 nan 0.000 0.445 291 N N 1.672 120.499 118.700 0.211 0.000 2.714 291 N HA -0.174 4.565 4.740 -0.000 0.000 0.252 291 N C -1.207 174.506 175.510 0.338 0.000 1.014 291 N CA 1.244 54.452 53.050 0.264 0.000 0.735 291 N CB -0.806 37.774 38.487 0.155 0.000 0.924 291 N HN 0.946 nan 8.380 nan 0.000 0.540 292 T N 0.679 115.390 114.554 0.260 0.000 2.916 292 T HA 0.443 4.793 4.350 -0.000 0.000 0.298 292 T C -0.298 174.093 174.700 -0.516 0.000 1.031 292 T CA -0.690 61.359 62.100 -0.084 0.000 0.993 292 T CB 1.965 70.657 68.868 -0.294 0.000 1.045 292 T HN 0.322 nan 8.240 nan 0.000 0.454 293 R N 1.736 121.800 120.500 -0.726 0.000 2.637 293 R HA 0.709 5.049 4.340 -0.000 0.000 0.291 293 R C -1.505 174.425 176.300 -0.617 0.000 0.963 293 R CA -0.660 54.934 56.100 -0.844 0.000 0.901 293 R CB 0.875 30.561 30.300 -1.022 0.000 1.160 293 R HN 0.455 nan 8.270 nan 0.000 0.457 294 F N 2.928 122.845 119.950 -0.054 0.000 2.469 294 F HA 0.376 4.902 4.527 -0.000 0.000 0.332 294 F C -0.243 175.605 175.800 0.080 0.000 1.103 294 F CA -0.880 57.132 58.000 0.019 0.000 0.979 294 F CB 1.989 40.959 39.000 -0.051 0.000 1.137 294 F HN 0.067 nan 8.300 nan 0.000 0.463 295 V N 2.896 122.909 119.914 0.165 0.000 2.394 295 V HA 0.483 4.602 4.120 -0.000 0.000 0.282 295 V C -1.090 175.075 176.094 0.118 0.000 1.031 295 V CA -1.127 61.106 62.300 -0.112 0.000 0.881 295 V CB 1.118 32.765 31.823 -0.292 0.000 0.982 295 V HN 0.783 nan 8.190 nan 0.000 0.451 296 Y N 2.126 122.418 120.300 -0.014 0.000 2.479 296 Y HA 0.506 5.055 4.550 -0.000 0.000 0.338 296 Y C -0.410 175.508 175.900 0.030 0.000 1.055 296 Y CA -0.653 57.459 58.100 0.019 0.000 1.023 296 Y CB 2.188 40.637 38.460 -0.018 0.000 1.287 296 Y HN 0.714 nan 8.280 nan 0.000 0.447 297 E N 6.379 126.279 120.200 -0.501 0.000 2.267 297 E HA 0.206 4.556 4.350 -0.000 0.000 0.241 297 E C 0.603 176.703 176.600 -0.832 0.000 0.950 297 E CA -0.408 55.690 56.400 -0.504 0.000 0.776 297 E CB 1.055 30.610 29.700 -0.241 0.000 1.207 297 E HN 0.705 nan 8.360 nan 0.000 0.436 298 R N 2.324 122.182 120.500 -1.070 0.000 2.096 298 R HA -0.089 4.251 4.340 -0.000 0.000 0.240 298 R C 0.540 176.679 176.300 -0.268 0.000 1.139 298 R CA 1.134 56.845 56.100 -0.648 0.000 0.952 298 R CB 0.289 30.432 30.300 -0.260 0.000 0.854 298 R HN 0.341 nan 8.270 nan 0.000 0.436 299 I N 2.514 122.957 120.570 -0.212 0.000 2.330 299 I HA 0.302 4.472 4.170 -0.000 0.000 0.289 299 I C -2.304 173.719 176.117 -0.157 0.000 1.001 299 I CA -3.281 57.938 61.300 -0.136 0.000 1.193 299 I CB 1.031 38.974 38.000 -0.096 0.000 1.345 299 I HN -0.079 nan 8.210 nan 0.000 0.461 300 P HA 0.125 nan 4.420 nan 0.000 0.262 300 P C 0.951 178.191 177.300 -0.100 0.000 1.182 300 P CA 0.766 63.806 63.100 -0.100 0.000 0.761 300 P CB 0.562 32.224 31.700 -0.062 0.000 0.795 301 G N 2.332 111.075 108.800 -0.094 0.000 2.176 301 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.253 301 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.253 301 G C 0.108 174.905 174.900 -0.173 0.000 0.979 301 G CA -0.264 44.789 45.100 -0.079 0.000 0.641 301 G HN 0.599 nan 8.290 nan 0.000 0.530 302 Q N 0.892 120.548 119.800 -0.240 0.000 2.965 302 Q HA 0.266 4.605 4.340 -0.000 0.000 0.288 302 Q C -2.682 173.208 176.000 -0.184 0.000 0.974 302 Q CA -1.641 53.948 55.803 -0.356 0.000 0.849 302 Q CB 2.328 30.814 28.738 -0.420 0.000 1.280 302 Q HN 0.379 nan 8.270 nan 0.000 0.441 303 P HA 0.137 nan 4.420 nan 0.000 0.271 303 P C -0.661 176.573 177.300 -0.109 0.000 1.220 303 P CA 0.136 63.148 63.100 -0.146 0.000 0.768 303 P CB 1.114 32.723 31.700 -0.152 0.000 0.848 304 L N 3.384 124.521 121.223 -0.143 0.000 2.333 304 L HA 0.518 4.858 4.340 -0.000 0.000 0.263 304 L C -0.270 176.457 176.870 -0.238 0.000 1.014 304 L CA -1.127 53.660 54.840 -0.089 0.000 0.820 304 L CB 1.388 43.383 42.059 -0.106 0.000 1.352 304 L HN 0.283 nan 8.230 nan 0.000 0.421 305 Y N -0.213 119.958 120.300 -0.214 0.000 2.528 305 Y HA 0.594 5.144 4.550 -0.000 0.000 0.335 305 Y C -0.995 174.655 175.900 -0.417 0.000 1.093 305 Y CA -0.880 57.123 58.100 -0.162 0.000 1.134 305 Y CB 1.333 39.718 38.460 -0.125 0.000 1.253 305 Y HN 0.203 nan 8.280 nan 0.000 0.478 306 Y N 0.214 120.621 120.300 0.177 0.000 2.386 306 Y HA 0.674 5.224 4.550 -0.000 0.000 0.334 306 Y C -0.307 175.619 175.900 0.044 0.000 1.002 306 Y CA -1.319 56.855 58.100 0.123 0.000 1.068 306 Y CB 1.776 40.338 38.460 0.169 0.000 1.203 306 Y HN 0.694 nan 8.280 nan 0.000 0.443 307 A N 2.256 125.163 122.820 0.146 0.000 2.292 307 A HA 0.650 4.970 4.320 -0.000 0.000 0.319 307 A C 0.192 177.870 177.584 0.157 0.000 1.206 307 A CA -0.507 51.570 52.037 0.068 0.000 0.835 307 A CB 0.360 19.478 19.000 0.196 0.000 1.164 307 A HN 0.758 nan 8.150 nan 0.000 0.505 308 S N 2.296 118.070 115.700 0.123 0.000 2.634 308 S HA 0.329 4.799 4.470 -0.000 0.000 0.261 308 S C 0.096 174.828 174.600 0.219 0.000 1.271 308 S CA -0.581 57.738 58.200 0.198 0.000 0.985 308 S CB 0.277 63.594 63.200 0.194 0.000 0.968 308 S HN 0.669 nan 8.310 nan 0.000 0.568 309 E N 0.917 121.233 120.200 0.194 0.000 2.481 309 E HA 0.026 4.375 4.350 -0.000 0.000 0.263 309 E C 0.600 177.307 176.600 0.178 0.000 0.992 309 E CA 0.667 57.167 56.400 0.167 0.000 0.938 309 E CB 0.015 29.788 29.700 0.122 0.000 0.933 309 E HN 0.825 nan 8.360 nan 0.000 0.453 310 E N 0.117 120.411 120.200 0.157 0.000 3.916 310 E HA -0.315 4.035 4.350 -0.000 0.000 0.331 310 E C 0.767 177.451 176.600 0.141 0.000 0.729 310 E CA 0.733 57.207 56.400 0.124 0.000 1.222 310 E CB -1.393 28.363 29.700 0.093 0.000 1.633 310 E HN 0.547 nan 8.360 nan 0.000 0.437 311 F N 1.303 121.300 119.950 0.079 0.000 2.102 311 F HA -0.072 4.455 4.527 -0.000 0.000 0.298 311 F C 1.335 177.181 175.800 0.077 0.000 1.105 311 F CA 1.550 59.592 58.000 0.070 0.000 1.239 311 F CB 0.297 39.336 39.000 0.065 0.000 0.991 311 F HN -0.011 nan 8.300 nan 0.000 0.474 312 V N -0.034 119.951 119.914 0.119 0.000 2.850 312 V HA 0.388 4.508 4.120 -0.000 0.000 0.315 312 V C -0.505 175.625 176.094 0.059 0.000 1.064 312 V CA -0.841 61.480 62.300 0.034 0.000 0.979 312 V CB 1.564 33.477 31.823 0.150 0.000 1.039 312 V HN 0.173 nan 8.190 nan 0.000 0.452 313 Q N 2.718 122.533 119.800 0.024 0.000 2.441 313 Q HA 0.630 4.969 4.340 -0.000 0.000 0.234 313 Q C 0.070 176.121 176.000 0.085 0.000 1.078 313 Q CA 0.236 56.067 55.803 0.047 0.000 0.907 313 Q CB 1.113 29.866 28.738 0.024 0.000 1.269 313 Q HN 1.147 nan 8.270 nan 0.000 0.502 314 G N 1.808 110.652 108.800 0.073 0.000 2.673 314 G HA2 0.478 4.438 3.960 -0.000 0.000 0.292 314 G HA3 0.478 4.438 3.960 -0.000 0.000 0.292 314 G C -1.812 172.955 174.900 -0.222 0.000 1.450 314 G CA -0.419 44.657 45.100 -0.040 0.000 0.837 314 G HN 0.394 nan 8.290 nan 0.000 0.505 315 E N -0.131 119.696 120.200 -0.622 0.000 2.363 315 E HA 0.456 4.805 4.350 -0.000 0.000 0.281 315 E C -1.787 174.487 176.600 -0.543 0.000 0.953 315 E CA -0.798 55.330 56.400 -0.452 0.000 0.778 315 E CB 2.625 32.116 29.700 -0.347 0.000 1.220 315 E HN 0.445 nan 8.360 nan 0.000 0.431 316 L N 4.309 125.382 121.223 -0.250 0.000 2.312 316 L HA 0.570 4.910 4.340 -0.000 0.000 0.281 316 L C -1.599 175.214 176.870 -0.096 0.000 1.070 316 L CA 0.162 55.036 54.840 0.055 0.000 0.805 316 L CB 0.500 42.716 42.059 0.262 0.000 1.174 316 L HN 0.473 nan 8.230 nan 0.000 0.434 317 F N 3.358 123.360 119.950 0.087 0.000 2.546 317 F HA 0.485 5.011 4.527 -0.000 0.000 0.320 317 F C -0.021 175.751 175.800 -0.047 0.000 1.076 317 F CA -0.876 57.142 58.000 0.029 0.000 0.928 317 F CB 1.586 40.606 39.000 0.033 0.000 1.189 317 F HN 0.341 nan 8.300 nan 0.000 0.465 318 K N 3.270 123.681 120.400 0.018 0.000 2.227 318 K HA 0.444 4.764 4.320 -0.000 0.000 0.280 318 K C 0.274 176.611 176.600 -0.438 0.000 1.041 318 K CA -0.295 55.720 56.287 -0.455 0.000 0.905 318 K CB 0.782 33.008 32.500 -0.456 0.000 1.068 318 K HN 0.853 nan 8.250 nan 0.000 0.470 319 I N 0.237 120.396 120.570 -0.686 0.000 4.323 319 I HA 0.163 4.332 4.170 -0.000 0.000 0.328 319 I C 0.044 175.815 176.117 -0.575 0.000 1.310 319 I CA -0.376 60.441 61.300 -0.804 0.000 1.186 319 I CB 0.928 37.978 38.000 -1.582 0.000 1.130 319 I HN 0.476 nan 8.210 nan 0.000 0.411 320 T N -1.834 112.392 114.554 -0.546 0.000 2.924 320 T HA 0.573 4.923 4.350 -0.000 0.000 0.291 320 T C -0.929 173.591 174.700 -0.299 0.000 1.045 320 T CA -0.463 61.418 62.100 -0.365 0.000 1.015 320 T CB 2.454 71.086 68.868 -0.393 0.000 1.103 320 T HN 0.121 nan 8.240 nan 0.000 0.496 321 D N 0.813 121.116 120.400 -0.161 0.000 2.668 321 D HA 0.358 4.998 4.640 -0.000 0.000 0.247 321 D C -1.231 175.056 176.300 -0.022 0.000 1.268 321 D CA -0.055 53.881 54.000 -0.106 0.000 0.842 321 D CB 0.831 41.576 40.800 -0.092 0.000 1.399 321 D HN 0.644 nan 8.370 nan 0.000 0.530 322 T N 1.878 116.436 114.554 0.007 0.000 2.909 322 T HA 0.412 4.762 4.350 -0.000 0.000 0.299 322 T C -2.049 172.692 174.700 0.068 0.000 1.073 322 T CA -1.334 60.825 62.100 0.099 0.000 0.999 322 T CB 2.376 71.373 68.868 0.215 0.000 1.098 322 T HN -0.061 nan 8.240 nan 0.000 0.477 323 P HA 0.059 nan 4.420 nan 0.000 0.233 323 P C -0.082 177.141 177.300 -0.129 0.000 1.167 323 P CA 0.446 63.466 63.100 -0.135 0.000 0.770 323 P CB -0.087 31.454 31.700 -0.265 0.000 0.837 324 Y N -1.292 119.046 120.300 0.064 0.000 2.426 324 Y HA 0.022 4.572 4.550 -0.000 0.000 0.344 324 Y C 1.016 177.025 175.900 0.182 0.000 1.256 324 Y CA -0.434 57.760 58.100 0.157 0.000 1.451 324 Y CB -0.087 38.500 38.460 0.212 0.000 1.342 324 Y HN -0.126 nan 8.280 nan 0.000 0.600 325 Y N 3.251 123.690 120.300 0.233 0.000 2.680 325 Y HA 0.072 4.622 4.550 -0.000 0.000 0.356 325 Y C -0.634 175.354 175.900 0.146 0.000 1.122 325 Y CA -0.654 57.499 58.100 0.089 0.000 1.509 325 Y CB -0.825 37.599 38.460 -0.060 0.000 1.245 325 Y HN 0.461 nan 8.280 nan 0.000 0.513 326 N N 4.629 123.390 118.700 0.101 0.000 2.457 326 N HA 0.684 5.423 4.740 -0.000 0.000 0.250 326 N C -0.820 174.612 175.510 -0.130 0.000 0.982 326 N CA -0.260 52.868 53.050 0.130 0.000 0.941 326 N CB 1.196 39.682 38.487 -0.001 0.000 1.120 326 N HN 0.602 nan 8.380 nan 0.000 0.505 327 A N 1.284 124.050 122.820 -0.091 0.000 2.524 327 A HA 0.586 4.906 4.320 -0.000 0.000 0.303 327 A C -1.326 176.209 177.584 -0.080 0.000 1.195 327 A CA -0.770 50.967 52.037 -0.501 0.000 0.651 327 A CB 0.689 18.869 19.000 -1.366 0.000 1.323 327 A HN 0.679 nan 8.150 nan 0.000 0.479 328 W N -2.457 118.929 121.300 0.143 0.000 5.820 328 W HA -0.110 4.550 4.660 -0.000 0.000 0.415 328 W C -2.282 174.336 176.519 0.165 0.000 1.627 328 W CA 0.237 57.668 57.345 0.143 0.000 0.991 328 W CB -2.292 27.217 29.460 0.081 0.000 2.842 328 W HN 0.545 nan 8.180 nan 0.000 1.416 329 P HA -0.180 nan 4.420 nan 0.000 0.220 329 P C 1.113 178.572 177.300 0.265 0.000 1.148 329 P CA 1.805 65.057 63.100 0.254 0.000 0.803 329 P CB 0.116 31.901 31.700 0.142 0.000 0.782 330 Q N 0.955 120.944 119.800 0.315 0.000 2.398 330 Q HA -0.062 4.278 4.340 -0.000 0.000 0.329 330 Q C -0.429 175.704 176.000 0.221 0.000 1.079 330 Q CA 0.432 56.435 55.803 0.333 0.000 1.041 330 Q CB -0.283 28.777 28.738 0.536 0.000 1.084 330 Q HN -0.031 nan 8.270 nan 0.000 0.386 331 D N 2.692 123.100 120.400 0.014 0.000 2.441 331 D HA 0.215 4.855 4.640 -0.000 0.000 0.287 331 D C -0.527 175.827 176.300 0.090 0.000 1.198 331 D CA -0.516 53.497 54.000 0.021 0.000 0.894 331 D CB 0.501 41.176 40.800 -0.208 0.000 1.070 331 D HN 0.642 nan 8.370 nan 0.000 0.499 332 K N 0.478 120.977 120.400 0.165 0.000 2.440 332 K HA 0.375 4.695 4.320 -0.000 0.000 0.207 332 K C 0.690 177.472 176.600 0.304 0.000 1.112 332 K CA -0.420 55.989 56.287 0.204 0.000 1.036 332 K CB 1.302 33.929 32.500 0.212 0.000 0.935 332 K HN 0.262 nan 8.250 nan 0.000 0.564 333 A N 1.850 124.818 122.820 0.246 0.000 2.425 333 A HA 0.470 4.790 4.320 -0.000 0.000 0.242 333 A C -0.163 177.600 177.584 0.299 0.000 1.077 333 A CA 0.120 52.275 52.037 0.196 0.000 0.781 333 A CB -0.248 18.834 19.000 0.138 0.000 1.020 333 A HN 0.290 nan 8.150 nan 0.000 0.494 334 F N -0.655 119.349 119.950 0.089 0.000 2.693 334 F HA 0.592 5.119 4.527 -0.000 0.000 0.309 334 F C -0.872 174.993 175.800 0.109 0.000 1.129 334 F CA -1.229 56.808 58.000 0.061 0.000 0.948 334 F CB 1.069 40.041 39.000 -0.046 0.000 1.315 334 F HN 0.666 nan 8.300 nan 0.000 0.447 335 V N 1.923 121.998 119.914 0.269 0.000 2.581 335 V HA 0.769 4.889 4.120 -0.000 0.000 0.303 335 V C -2.237 174.089 176.094 0.386 0.000 1.041 335 V CA -0.633 61.794 62.300 0.212 0.000 0.907 335 V CB 1.679 33.552 31.823 0.082 0.000 0.994 335 V HN 1.028 nan 8.190 nan 0.000 0.442 336 Y N 3.821 124.247 120.300 0.210 0.000 2.361 336 Y HA 0.429 4.979 4.550 -0.000 0.000 0.328 336 Y C 0.164 176.130 175.900 0.110 0.000 1.044 336 Y CA -0.630 57.567 58.100 0.163 0.000 1.085 336 Y CB 1.515 40.056 38.460 0.135 0.000 1.194 336 Y HN 0.966 nan 8.280 nan 0.000 0.438 337 E N 5.121 125.058 120.200 -0.438 0.000 2.246 337 E HA -0.395 3.955 4.350 -0.000 0.000 0.173 337 E C 0.030 176.551 176.600 -0.133 0.000 1.532 337 E CA 1.244 57.442 56.400 -0.337 0.000 0.672 337 E CB -1.006 28.402 29.700 -0.486 0.000 1.078 337 E HN 0.953 nan 8.360 nan 0.000 0.338 338 N N -2.523 116.122 118.700 -0.092 0.000 2.929 338 N HA -0.218 4.522 4.740 -0.000 0.000 0.234 338 N C -0.321 175.106 175.510 -0.138 0.000 0.908 338 N CA 1.443 54.441 53.050 -0.088 0.000 0.993 338 N CB -0.475 37.962 38.487 -0.083 0.000 1.075 338 N HN 0.238 nan 8.380 nan 0.000 0.603 339 V N 1.395 121.237 119.914 -0.121 0.000 2.439 339 V HA 0.400 4.520 4.120 -0.000 0.000 0.282 339 V C 0.657 176.562 176.094 -0.314 0.000 1.039 339 V CA -0.545 61.583 62.300 -0.287 0.000 0.913 339 V CB 1.455 33.056 31.823 -0.369 0.000 0.983 339 V HN 0.100 nan 8.190 nan 0.000 0.460 340 I N 5.000 125.257 120.570 -0.523 0.000 2.342 340 I HA 0.312 4.482 4.170 -0.000 0.000 0.291 340 I C -0.862 174.894 176.117 -0.602 0.000 1.010 340 I CA -0.162 60.855 61.300 -0.472 0.000 1.308 340 I CB 0.618 38.267 38.000 -0.585 0.000 1.400 340 I HN 0.485 nan 8.210 nan 0.000 0.488 341 Y N 4.739 124.667 120.300 -0.619 0.000 2.331 341 Y HA 0.590 5.140 4.550 -0.000 0.000 0.338 341 Y C 0.342 176.015 175.900 -0.377 0.000 0.992 341 Y CA -0.871 56.773 58.100 -0.760 0.000 1.121 341 Y CB 1.816 39.292 38.460 -1.639 0.000 1.184 341 Y HN 0.560 nan 8.280 nan 0.000 0.469 342 A N 6.202 129.030 122.820 0.014 0.000 2.802 342 A HA 0.580 4.900 4.320 -0.000 0.000 0.344 342 A C -2.909 174.867 177.584 0.320 0.000 1.215 342 A CA -1.754 50.349 52.037 0.110 0.000 0.821 342 A CB -0.166 18.814 19.000 -0.034 0.000 1.099 342 A HN 0.385 nan 8.150 nan 0.000 0.479 343 P HA 0.539 nan 4.420 nan 0.000 0.274 343 P C -0.714 176.865 177.300 0.465 0.000 1.237 343 P CA 0.079 63.467 63.100 0.480 0.000 0.793 343 P CB 0.394 32.357 31.700 0.439 0.000 0.977 344 Y N -2.331 118.080 120.300 0.185 0.000 2.871 344 Y HA 0.661 5.211 4.550 -0.000 0.000 0.331 344 Y C -1.461 174.535 175.900 0.160 0.000 1.378 344 Y CA -1.426 56.776 58.100 0.170 0.000 1.079 344 Y CB 0.769 39.309 38.460 0.133 0.000 1.441 344 Y HN 0.052 nan 8.280 nan 0.000 0.446 345 M N 1.724 121.499 119.600 0.291 0.000 2.311 345 M HA 0.579 5.058 4.480 -0.000 0.000 0.325 345 M C -0.359 176.150 176.300 0.348 0.000 1.061 345 M CA -0.749 54.634 55.300 0.138 0.000 0.957 345 M CB 2.198 34.848 32.600 0.083 0.000 1.646 345 M HN 0.903 nan 8.290 nan 0.000 0.434 346 G N 1.634 110.484 108.800 0.084 0.000 2.384 346 G HA2 0.623 4.583 3.960 -0.000 0.000 0.316 346 G HA3 0.623 4.583 3.960 -0.000 0.000 0.316 346 G C -0.406 174.529 174.900 0.059 0.000 1.160 346 G CA -0.286 44.931 45.100 0.195 0.000 0.936 346 G HN 0.788 nan 8.290 nan 0.000 0.455 347 S N 0.656 116.517 115.700 0.267 0.000 3.132 347 S HA 0.634 5.104 4.470 -0.000 0.000 0.322 347 S C 0.027 174.774 174.600 0.245 0.000 1.124 347 S CA 0.033 58.338 58.200 0.174 0.000 0.906 347 S CB 1.898 65.143 63.200 0.076 0.000 1.349 347 S HN 0.435 nan 8.310 nan 0.000 0.686 348 D N -0.461 119.975 120.400 0.060 0.000 2.503 348 D HA 0.272 4.912 4.640 -0.000 0.000 0.218 348 D C 0.476 176.581 176.300 -0.325 0.000 1.183 348 D CA -0.276 53.623 54.000 -0.168 0.000 0.827 348 D CB 0.069 40.896 40.800 0.045 0.000 1.034 348 D HN 0.807 nan 8.370 nan 0.000 0.510 349 R N -1.624 118.709 120.500 -0.278 0.000 2.832 349 R HA 0.189 4.529 4.340 -0.000 0.000 0.283 349 R C -1.548 174.564 176.300 -0.314 0.000 0.998 349 R CA -0.736 55.166 56.100 -0.329 0.000 0.843 349 R CB -0.285 29.955 30.300 -0.099 0.000 1.332 349 R HN -0.174 nan 8.270 nan 0.000 0.490 350 H N -0.117 118.795 119.070 -0.263 0.000 3.513 350 H HA 0.481 5.036 4.556 -0.000 0.000 0.253 350 H C 0.310 175.542 175.328 -0.160 0.000 1.514 350 H CA 1.856 57.850 56.048 -0.090 0.000 1.565 350 H CB 0.236 30.022 29.762 0.039 0.000 1.776 350 H HN 0.840 nan 8.280 nan 0.000 0.562 351 G N -0.380 108.288 108.800 -0.219 0.000 2.320 351 G HA2 0.125 4.085 3.960 -0.000 0.000 0.297 351 G HA3 0.125 4.085 3.960 -0.000 0.000 0.297 351 G C 0.117 174.910 174.900 -0.179 0.000 1.344 351 G CA -0.247 44.751 45.100 -0.170 0.000 0.851 351 G HN 0.480 nan 8.290 nan 0.000 0.567 352 V N -1.873 117.965 119.914 -0.126 0.000 3.596 352 V HA 0.483 4.602 4.120 -0.000 0.000 0.289 352 V C 1.259 177.340 176.094 -0.023 0.000 1.336 352 V CA 0.985 63.231 62.300 -0.090 0.000 1.137 352 V CB 0.012 31.785 31.823 -0.083 0.000 0.966 352 V HN 1.310 nan 8.190 nan 0.000 0.428 353 S N 1.492 117.186 115.700 -0.010 0.000 2.546 353 S HA 0.241 4.711 4.470 -0.000 0.000 0.290 353 S C 1.116 175.782 174.600 0.111 0.000 1.290 353 S CA 0.453 58.704 58.200 0.085 0.000 1.069 353 S CB -0.375 62.848 63.200 0.039 0.000 0.846 353 S HN 0.742 nan 8.310 nan 0.000 0.495 354 R N -0.078 120.538 120.500 0.192 0.000 3.946 354 R HA -0.176 4.163 4.340 -0.000 0.000 0.329 354 R C -0.207 176.008 176.300 -0.143 0.000 1.209 354 R CA 0.651 56.769 56.100 0.030 0.000 0.909 354 R CB -1.687 28.732 30.300 0.199 0.000 1.355 354 R HN 0.535 nan 8.270 nan 0.000 0.539 355 L N 1.857 122.958 121.223 -0.204 0.000 2.380 355 L HA 0.258 4.598 4.340 -0.000 0.000 0.273 355 L C 0.062 176.622 176.870 -0.515 0.000 1.138 355 L CA 0.414 55.100 54.840 -0.257 0.000 0.832 355 L CB 0.582 42.540 42.059 -0.169 0.000 1.124 355 L HN 0.084 nan 8.230 nan 0.000 0.454 356 H N 4.214 123.015 119.070 -0.448 0.000 2.609 356 H HA 0.326 4.882 4.556 -0.000 0.000 0.344 356 H C -0.697 174.413 175.328 -0.365 0.000 1.040 356 H CA -0.808 54.930 56.048 -0.516 0.000 1.216 356 H CB 2.127 31.277 29.762 -1.020 0.000 1.529 356 H HN 0.396 nan 8.280 nan 0.000 0.519 357 V N 3.424 123.223 119.914 -0.192 0.000 2.529 357 V HA 0.064 4.183 4.120 -0.000 0.000 0.292 357 V C 0.476 176.445 176.094 -0.208 0.000 1.028 357 V CA 0.523 62.694 62.300 -0.214 0.000 1.074 357 V CB 0.578 32.260 31.823 -0.235 0.000 0.958 357 V HN 0.731 nan 8.190 nan 0.000 0.481 358 S N 3.312 118.809 115.700 -0.339 0.000 2.661 358 S HA 0.849 5.319 4.470 -0.000 0.000 0.285 358 S C -1.275 173.202 174.600 -0.205 0.000 1.138 358 S CA -0.697 57.290 58.200 -0.355 0.000 0.855 358 S CB 2.199 65.066 63.200 -0.555 0.000 1.136 358 S HN 0.886 nan 8.310 nan 0.000 0.484 359 W N 0.491 121.810 121.300 0.031 0.000 3.118 359 W HA 0.780 5.440 4.660 -0.001 0.000 0.328 359 W C -1.554 175.133 176.519 0.280 0.000 1.239 359 W CA -1.477 56.004 57.345 0.227 0.000 1.176 359 W CB -0.365 29.211 29.460 0.194 0.000 1.433 359 W HN 0.609 nan 8.180 nan 0.000 0.562 360 V N -0.030 120.224 119.914 0.567 0.000 2.919 360 V HA 0.820 4.940 4.120 -0.000 0.000 0.316 360 V C -0.520 175.664 176.094 0.150 0.000 1.077 360 V CA -1.621 60.873 62.300 0.323 0.000 0.977 360 V CB 1.659 33.609 31.823 0.212 0.000 1.039 360 V HN 0.629 nan 8.190 nan 0.000 0.441 361 K N 1.359 121.755 120.400 -0.006 0.000 2.385 361 K HA 0.711 5.030 4.320 -0.000 0.000 0.248 361 K C -0.910 175.396 176.600 -0.490 0.000 0.955 361 K CA -0.536 55.511 56.287 -0.400 0.000 0.816 361 K CB 2.188 34.200 32.500 -0.814 0.000 1.250 361 K HN 0.753 nan 8.250 nan 0.000 0.434 362 S N 0.090 115.187 115.700 -1.004 0.000 2.449 362 S HA 0.442 4.911 4.470 -0.000 0.000 0.310 362 S C 0.483 174.610 174.600 -0.790 0.000 1.096 362 S CA -0.580 56.854 58.200 -1.276 0.000 1.095 362 S CB 0.988 62.879 63.200 -2.182 0.000 1.007 362 S HN 0.789 nan 8.310 nan 0.000 0.474 363 G N 2.121 110.582 108.800 -0.565 0.000 3.088 363 G HA2 0.160 4.120 3.960 -0.000 0.000 0.217 363 G HA3 0.160 4.120 3.960 -0.000 0.000 0.217 363 G C -0.040 174.683 174.900 -0.294 0.000 1.159 363 G CA -0.083 44.795 45.100 -0.370 0.000 0.760 363 G HN 0.790 nan 8.290 nan 0.000 0.550 364 D N -0.865 119.321 120.400 -0.357 0.000 2.908 364 D HA 0.183 4.823 4.640 -0.000 0.000 0.361 364 D C -0.149 175.977 176.300 -0.291 0.000 1.416 364 D CA -0.784 53.081 54.000 -0.225 0.000 0.796 364 D CB -0.145 40.612 40.800 -0.071 0.000 1.185 364 D HN -0.053 nan 8.370 nan 0.000 0.451 365 D N 0.045 120.229 120.400 -0.360 0.000 2.945 365 D HA -0.115 4.525 4.640 -0.000 0.000 0.225 365 D C 1.342 177.406 176.300 -0.394 0.000 1.158 365 D CA 1.663 55.477 54.000 -0.309 0.000 0.805 365 D CB -1.451 39.262 40.800 -0.146 0.000 1.098 365 D HN 0.766 nan 8.370 nan 0.000 0.426 366 G N -0.739 107.650 108.800 -0.686 0.000 2.176 366 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.232 366 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.232 366 G C 0.934 175.333 174.900 -0.835 0.000 0.986 366 G CA 0.545 45.195 45.100 -0.749 0.000 0.643 366 G HN 0.458 nan 8.290 nan 0.000 0.522 367 Q N -0.520 118.900 119.800 -0.634 0.000 2.167 367 Q HA 0.086 4.425 4.340 -0.000 0.000 0.202 367 Q C 0.689 176.593 176.000 -0.160 0.000 0.970 367 Q CA 1.509 57.081 55.803 -0.384 0.000 0.855 367 Q CB 0.227 28.720 28.738 -0.409 0.000 0.911 367 Q HN 0.431 nan 8.270 nan 0.000 0.438 368 T N -0.468 113.887 114.554 -0.332 0.000 2.956 368 T HA 0.429 4.779 4.350 -0.000 0.000 0.312 368 T C -1.984 172.435 174.700 -0.469 0.000 1.151 368 T CA -0.617 61.394 62.100 -0.148 0.000 1.024 368 T CB 1.004 69.904 68.868 0.053 0.000 1.140 368 T HN 0.105 nan 8.240 nan 0.000 0.473 369 W N 1.471 122.664 121.300 -0.178 0.000 2.962 369 W HA 0.648 5.307 4.660 -0.001 0.000 0.341 369 W C 0.413 176.844 176.519 -0.145 0.000 1.155 369 W CA -0.772 56.459 57.345 -0.189 0.000 1.165 369 W CB 1.037 30.372 29.460 -0.209 0.000 1.435 369 W HN 0.690 nan 8.180 nan 0.000 0.546 370 S N -0.612 115.151 115.700 0.104 0.000 2.669 370 S HA 0.537 5.006 4.470 -0.000 0.000 0.270 370 S C -0.039 174.601 174.600 0.068 0.000 1.225 370 S CA -0.697 57.525 58.200 0.036 0.000 0.991 370 S CB 0.696 63.886 63.200 -0.016 0.000 0.987 370 S HN 0.340 nan 8.310 nan 0.000 0.552 371 T N 3.638 118.214 114.554 0.036 0.000 2.902 371 T HA 0.252 4.601 4.350 -0.000 0.000 0.301 371 T C -2.313 172.427 174.700 0.066 0.000 1.012 371 T CA -0.296 61.820 62.100 0.026 0.000 1.151 371 T CB -0.326 68.531 68.868 -0.019 0.000 0.946 371 T HN 0.503 nan 8.240 nan 0.000 0.542 372 P HA 0.092 nan 4.420 nan 0.000 0.265 372 P C -0.326 176.978 177.300 0.007 0.000 1.187 372 P CA 0.085 63.270 63.100 0.143 0.000 0.766 372 P CB 0.432 32.241 31.700 0.181 0.000 0.820 373 E N 2.527 122.775 120.200 0.080 0.000 2.234 373 E HA 0.234 4.584 4.350 -0.000 0.000 0.266 373 E C -1.110 175.469 176.600 -0.035 0.000 0.877 373 E CA -0.823 55.549 56.400 -0.046 0.000 0.758 373 E CB 0.668 30.430 29.700 0.102 0.000 1.170 373 E HN 0.238 nan 8.360 nan 0.000 0.415 374 W N 5.764 126.973 121.300 -0.152 0.000 2.304 374 W HA 0.202 4.861 4.660 -0.000 0.000 0.313 374 W C 0.654 177.106 176.519 -0.111 0.000 1.323 374 W CA -0.591 56.649 57.345 -0.175 0.000 1.223 374 W CB 0.343 29.669 29.460 -0.224 0.000 1.237 374 W HN 0.716 nan 8.180 nan 0.000 0.535 375 L N 2.269 123.537 121.223 0.076 0.000 2.298 375 L HA 0.042 4.382 4.340 -0.000 0.000 0.209 375 L C 1.254 178.237 176.870 0.188 0.000 1.084 375 L CA 0.866 55.753 54.840 0.079 0.000 0.816 375 L CB -0.329 41.675 42.059 -0.091 0.000 0.967 375 L HN 0.310 nan 8.230 nan 0.000 0.460 376 T N -3.785 110.811 114.554 0.070 0.000 2.887 376 T HA 0.405 4.754 4.350 -0.000 0.000 0.288 376 T C -0.498 174.295 174.700 0.156 0.000 1.021 376 T CA -0.966 61.145 62.100 0.018 0.000 1.000 376 T CB 2.417 71.097 68.868 -0.313 0.000 1.034 376 T HN -0.198 nan 8.240 nan 0.000 0.467 377 D N 1.003 121.508 120.400 0.175 0.000 2.383 377 D HA 0.311 4.950 4.640 -0.000 0.000 0.248 377 D C 0.579 176.871 176.300 -0.013 0.000 1.170 377 D CA -0.494 53.590 54.000 0.139 0.000 0.977 377 D CB 0.732 41.629 40.800 0.161 0.000 1.120 377 D HN 0.513 nan 8.370 nan 0.000 0.481 378 L N 1.334 122.414 121.223 -0.239 0.000 2.490 378 L HA -0.024 4.316 4.340 -0.000 0.000 0.274 378 L C 1.269 178.097 176.870 -0.069 0.000 1.201 378 L CA 0.144 54.784 54.840 -0.333 0.000 0.869 378 L CB 0.133 41.840 42.059 -0.587 0.000 1.123 378 L HN 0.325 nan 8.230 nan 0.000 0.484 379 H N 5.548 124.477 119.070 -0.235 0.000 2.972 379 H HA 0.002 4.558 4.556 -0.000 0.000 0.343 379 H C -1.625 173.660 175.328 -0.072 0.000 1.054 379 H CA -1.125 54.732 56.048 -0.319 0.000 1.412 379 H CB 1.438 30.844 29.762 -0.594 0.000 1.385 379 H HN 0.377 nan 8.280 nan 0.000 0.600 380 P HA -0.137 nan 4.420 nan 0.000 0.217 380 P C 0.386 177.777 177.300 0.150 0.000 1.148 380 P CA 1.326 64.440 63.100 0.023 0.000 0.828 380 P CB 0.320 31.985 31.700 -0.058 0.000 0.783 381 D N -2.443 118.155 120.400 0.330 0.000 2.336 381 D HA 0.005 4.645 4.640 -0.000 0.000 0.228 381 D C 0.373 176.711 176.300 0.063 0.000 1.120 381 D CA -0.336 53.761 54.000 0.162 0.000 0.839 381 D CB -0.745 40.118 40.800 0.104 0.000 0.932 381 D HN 0.200 nan 8.370 nan 0.000 0.509 382 Y N 3.055 123.351 120.300 -0.007 0.000 2.805 382 Y HA 0.014 4.564 4.550 -0.000 0.000 0.337 382 Y C -1.204 174.672 175.900 -0.039 0.000 1.252 382 Y CA -0.888 57.175 58.100 -0.061 0.000 1.515 382 Y CB 0.829 39.253 38.460 -0.060 0.000 1.305 382 Y HN -0.049 nan 8.280 nan 0.000 0.600 383 P HA 0.128 nan 4.420 nan 0.000 0.248 383 P C 0.230 177.189 177.300 -0.569 0.000 1.708 383 P CA 0.188 62.652 63.100 -1.061 0.000 1.062 383 P CB 0.365 31.585 31.700 -0.799 0.000 1.562 384 T N -0.589 113.757 114.554 -0.347 0.000 2.852 384 T HA 0.057 4.407 4.350 -0.000 0.000 0.256 384 T C 1.095 175.627 174.700 -0.279 0.000 1.038 384 T CA 1.025 62.973 62.100 -0.254 0.000 1.141 384 T CB -0.048 68.714 68.868 -0.176 0.000 0.869 384 T HN 0.144 nan 8.240 nan 0.000 0.439 385 V N -0.910 118.807 119.914 -0.329 0.000 3.102 385 V HA 0.737 4.857 4.120 -0.000 0.000 0.312 385 V C -1.018 174.852 176.094 -0.374 0.000 1.135 385 V CA -1.206 60.860 62.300 -0.389 0.000 1.022 385 V CB 2.251 33.735 31.823 -0.564 0.000 1.056 385 V HN 0.347 nan 8.190 nan 0.000 0.436 386 N N -0.675 117.822 118.700 -0.338 0.000 3.020 386 N HA 0.488 5.228 4.740 -0.000 0.000 0.248 386 N C -1.757 173.588 175.510 -0.274 0.000 1.480 386 N CA -0.637 52.253 53.050 -0.267 0.000 0.874 386 N CB 2.018 40.500 38.487 -0.008 0.000 1.433 386 N HN 0.692 nan 8.380 nan 0.000 0.530 387 Y N 0.524 120.780 120.300 -0.073 0.000 2.281 387 Y HA 0.350 4.899 4.550 -0.000 0.000 0.337 387 Y C 0.521 176.353 175.900 -0.113 0.000 1.304 387 Y CA 0.266 58.283 58.100 -0.138 0.000 1.465 387 Y CB 0.399 38.708 38.460 -0.251 0.000 1.350 387 Y HN 0.332 nan 8.280 nan 0.000 0.575 388 H N -0.037 118.990 119.070 -0.070 0.000 3.121 388 H HA 0.380 4.936 4.556 -0.000 0.000 0.337 388 H C -1.912 173.324 175.328 -0.153 0.000 1.198 388 H CA -0.827 55.134 56.048 -0.145 0.000 1.274 388 H CB 1.703 31.374 29.762 -0.152 0.000 1.954 388 H HN 0.824 nan 8.280 nan 0.000 0.531 389 C N 6.398 125.448 119.300 -0.417 0.000 2.811 389 C HA 0.473 4.932 4.460 -0.000 0.000 0.352 389 C C -0.010 174.881 174.990 -0.165 0.000 1.098 389 C CA -0.368 58.524 59.018 -0.210 0.000 1.295 389 C CB 0.485 28.099 27.740 -0.210 0.000 1.758 389 C HN 0.968 nan 8.230 nan 0.000 0.488 390 M N 3.317 122.920 119.600 0.005 0.000 2.268 390 M HA 0.234 4.714 4.480 -0.000 0.000 0.355 390 M C 0.236 176.596 176.300 0.100 0.000 0.938 390 M CA 0.282 55.644 55.300 0.103 0.000 1.025 390 M CB 0.752 33.512 32.600 0.266 0.000 1.773 390 M HN 0.657 nan 8.290 nan 0.000 0.613 391 S N 1.635 117.392 115.700 0.096 0.000 2.672 391 S HA 0.790 5.260 4.470 -0.000 0.000 0.291 391 S C -1.031 173.618 174.600 0.082 0.000 1.145 391 S CA -0.499 57.781 58.200 0.134 0.000 1.013 391 S CB 1.343 64.668 63.200 0.208 0.000 1.017 391 S HN 0.377 nan 8.310 nan 0.000 0.487 392 M N 4.748 124.362 119.600 0.023 0.000 2.426 392 M HA 0.644 5.123 4.480 -0.000 0.000 0.289 392 M C -0.878 175.025 176.300 -0.661 0.000 1.168 392 M CA -0.077 55.092 55.300 -0.219 0.000 0.933 392 M CB 1.545 34.130 32.600 -0.025 0.000 1.750 392 M HN 0.902 nan 8.290 nan 0.000 0.494 393 G N 1.728 109.662 108.800 -1.444 0.000 2.490 393 G HA2 0.588 4.547 3.960 -0.000 0.000 0.308 393 G HA3 0.588 4.547 3.960 -0.000 0.000 0.308 393 G C -2.315 171.703 174.900 -1.469 0.000 1.286 393 G CA -0.542 43.508 45.100 -1.749 0.000 0.825 393 G HN 0.636 nan 8.290 nan 0.000 0.479 394 V N -0.411 118.951 119.914 -0.920 0.000 2.540 394 V HA 0.629 4.749 4.120 -0.000 0.000 0.302 394 V C -0.661 175.482 176.094 0.082 0.000 1.035 394 V CA -0.625 61.409 62.300 -0.443 0.000 0.873 394 V CB 1.313 32.867 31.823 -0.449 0.000 0.992 394 V HN 0.999 nan 8.190 nan 0.000 0.428 395 C N 6.196 125.694 119.300 0.330 0.000 2.446 395 C HA 0.687 5.147 4.460 -0.000 0.000 0.329 395 C C 0.590 175.925 174.990 0.574 0.000 1.166 395 C CA -0.789 58.546 59.018 0.529 0.000 1.341 395 C CB 0.228 28.409 27.740 0.734 0.000 1.970 395 C HN 1.044 nan 8.230 nan 0.000 0.452 396 R N 4.471 125.197 120.500 0.378 0.000 3.251 396 R HA -0.211 4.129 4.340 -0.000 0.000 0.249 396 R C 0.492 176.921 176.300 0.215 0.000 0.949 396 R CA 1.478 57.726 56.100 0.246 0.000 0.645 396 R CB -2.051 28.299 30.300 0.084 0.000 1.065 396 R HN 1.094 nan 8.270 nan 0.000 0.452 397 N N -1.792 117.006 118.700 0.163 0.000 2.713 397 N HA -0.262 4.477 4.740 -0.000 0.000 0.251 397 N C -0.759 174.680 175.510 -0.118 0.000 1.117 397 N CA 1.713 54.787 53.050 0.040 0.000 0.770 397 N CB -0.517 38.039 38.487 0.115 0.000 1.137 397 N HN 0.634 nan 8.380 nan 0.000 0.566 398 R N 0.105 120.549 120.500 -0.095 0.000 2.589 398 R HA 0.530 4.869 4.340 -0.000 0.000 0.293 398 R C -0.624 175.438 176.300 -0.396 0.000 0.963 398 R CA -1.093 54.818 56.100 -0.315 0.000 0.905 398 R CB 1.472 31.445 30.300 -0.543 0.000 1.144 398 R HN -0.000 nan 8.270 nan 0.000 0.459 399 L N 2.687 123.665 121.223 -0.407 0.000 2.331 399 L HA 0.353 4.692 4.340 -0.000 0.000 0.278 399 L C -1.271 175.385 176.870 -0.355 0.000 1.106 399 L CA 0.507 55.127 54.840 -0.366 0.000 0.824 399 L CB 0.218 42.225 42.059 -0.086 0.000 1.142 399 L HN 0.409 nan 8.230 nan 0.000 0.443 400 F N 4.111 123.867 119.950 -0.324 0.000 2.507 400 F HA 0.763 5.290 4.527 -0.000 0.000 0.325 400 F C 0.156 175.803 175.800 -0.254 0.000 1.116 400 F CA -0.363 57.503 58.000 -0.223 0.000 0.930 400 F CB 1.941 40.718 39.000 -0.371 0.000 1.146 400 F HN 0.599 nan 8.300 nan 0.000 0.447 401 A N 3.523 126.404 122.820 0.101 0.000 2.449 401 A HA 0.756 5.076 4.320 -0.000 0.000 0.302 401 A C -1.333 176.232 177.584 -0.033 0.000 1.048 401 A CA -0.763 51.264 52.037 -0.016 0.000 0.708 401 A CB 1.495 20.448 19.000 -0.078 0.000 1.274 401 A HN 0.718 nan 8.150 nan 0.000 0.410 402 M N 3.705 123.279 119.600 -0.043 0.000 2.151 402 M HA 0.405 4.885 4.480 -0.000 0.000 0.349 402 M C -1.257 174.932 176.300 -0.184 0.000 1.284 402 M CA -0.454 54.809 55.300 -0.061 0.000 1.173 402 M CB -0.239 32.380 32.600 0.033 0.000 1.469 402 M HN 0.458 nan 8.290 nan 0.000 0.439 403 I N 5.032 125.372 120.570 -0.383 0.000 2.301 403 I HA 0.249 4.419 4.170 -0.000 0.000 0.292 403 I C 0.168 176.112 176.117 -0.289 0.000 1.046 403 I CA -0.088 60.852 61.300 -0.599 0.000 1.282 403 I CB 0.249 37.312 38.000 -1.562 0.000 1.409 403 I HN 0.689 nan 8.210 nan 0.000 0.484 404 E N 4.021 124.151 120.200 -0.116 0.000 2.248 404 E HA 0.454 4.803 4.350 -0.000 0.000 0.272 404 E C -0.444 176.177 176.600 0.036 0.000 1.008 404 E CA -0.563 55.827 56.400 -0.017 0.000 0.856 404 E CB 1.364 31.071 29.700 0.013 0.000 1.120 404 E HN 0.415 nan 8.360 nan 0.000 0.397 405 T N 2.554 117.103 114.554 -0.007 0.000 2.797 405 T HA 0.479 4.829 4.350 -0.000 0.000 0.279 405 T C -0.365 174.241 174.700 -0.157 0.000 0.991 405 T CA -0.743 61.300 62.100 -0.095 0.000 0.979 405 T CB 0.664 69.470 68.868 -0.104 0.000 0.943 405 T HN 0.291 nan 8.240 nan 0.000 0.444 406 R N 1.121 121.497 120.500 -0.207 0.000 2.725 406 R HA 0.564 4.904 4.340 -0.000 0.000 0.277 406 R C -0.227 175.940 176.300 -0.221 0.000 0.987 406 R CA -1.044 54.928 56.100 -0.213 0.000 0.901 406 R CB 1.487 31.633 30.300 -0.258 0.000 1.207 406 R HN 0.717 nan 8.270 nan 0.000 0.463 407 T N -0.257 114.182 114.554 -0.192 0.000 2.919 407 T HA 0.115 4.465 4.350 -0.000 0.000 0.302 407 T C 1.281 175.878 174.700 -0.172 0.000 1.031 407 T CA -0.594 61.396 62.100 -0.183 0.000 1.127 407 T CB 0.685 69.466 68.868 -0.146 0.000 0.952 407 T HN 0.344 nan 8.240 nan 0.000 0.540 408 L N 2.455 123.567 121.223 -0.185 0.000 2.131 408 L HA 0.064 4.404 4.340 -0.000 0.000 0.210 408 L C 2.850 179.646 176.870 -0.123 0.000 1.092 408 L CA 1.975 56.717 54.840 -0.162 0.000 0.759 408 L CB -1.146 40.787 42.059 -0.211 0.000 0.903 408 L HN 0.985 nan 8.230 nan 0.000 0.435 409 A N -1.055 121.695 122.820 -0.117 0.000 1.898 409 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 409 A C 2.113 179.655 177.584 -0.069 0.000 1.181 409 A CA 1.746 53.732 52.037 -0.085 0.000 0.620 409 A CB -0.123 18.829 19.000 -0.080 0.000 0.819 409 A HN 0.394 nan 8.150 nan 0.000 0.442 410 K N -2.707 117.645 120.400 -0.080 0.000 2.553 410 K HA 0.111 4.431 4.320 -0.000 0.000 0.205 410 K C 0.055 176.605 176.600 -0.083 0.000 1.168 410 K CA 0.179 56.427 56.287 -0.066 0.000 1.043 410 K CB 0.721 33.188 32.500 -0.056 0.000 0.967 410 K HN 0.277 nan 8.250 nan 0.000 0.585 411 N N 1.214 119.846 118.700 -0.114 0.000 2.714 411 N HA -0.186 4.554 4.740 -0.000 0.000 0.250 411 N C -0.822 174.590 175.510 -0.163 0.000 1.117 411 N CA 0.873 53.829 53.050 -0.156 0.000 0.719 411 N CB -0.986 37.408 38.487 -0.155 0.000 1.081 411 N HN 0.373 nan 8.380 nan 0.000 0.557 412 A N 0.209 122.950 122.820 -0.131 0.000 2.440 412 A HA 0.438 4.758 4.320 -0.000 0.000 0.251 412 A C 0.524 178.026 177.584 -0.136 0.000 1.089 412 A CA -0.389 51.579 52.037 -0.116 0.000 0.779 412 A CB 0.424 19.372 19.000 -0.086 0.000 1.022 412 A HN 0.417 nan 8.150 nan 0.000 0.492 413 L N 2.727 123.874 121.223 -0.126 0.000 2.416 413 L HA 0.372 4.711 4.340 -0.000 0.000 0.272 413 L C 0.994 177.808 176.870 -0.095 0.000 1.161 413 L CA 1.260 56.027 54.840 -0.122 0.000 0.845 413 L CB 0.894 42.890 42.059 -0.104 0.000 1.119 413 L HN 0.764 nan 8.230 nan 0.000 0.464 414 T N 3.627 118.124 114.554 -0.095 0.000 3.028 414 T HA 0.239 4.589 4.350 -0.000 0.000 0.250 414 T C 0.088 174.758 174.700 -0.049 0.000 0.979 414 T CA 0.000 62.052 62.100 -0.080 0.000 1.004 414 T CB -0.003 68.796 68.868 -0.115 0.000 1.120 414 T HN 0.689 nan 8.240 nan 0.000 0.482 415 N N -0.127 118.550 118.700 -0.040 0.000 2.405 415 N HA 0.327 5.067 4.740 -0.000 0.000 0.274 415 N C -1.942 173.567 175.510 -0.001 0.000 1.170 415 N CA -0.347 52.702 53.050 -0.002 0.000 0.848 415 N CB 1.943 40.455 38.487 0.042 0.000 1.629 415 N HN 0.130 nan 8.380 nan 0.000 0.481 416 C N 1.853 121.156 119.300 0.004 0.000 2.369 416 C HA 0.908 5.368 4.460 -0.000 0.000 0.322 416 C C 0.063 175.079 174.990 0.042 0.000 1.258 416 C CA -0.406 58.609 59.018 -0.005 0.000 1.487 416 C CB 0.110 27.818 27.740 -0.053 0.000 2.165 416 C HN 0.712 nan 8.230 nan 0.000 0.483 417 A N 2.694 125.543 122.820 0.047 0.000 2.414 417 A HA 0.779 5.098 4.320 -0.000 0.000 0.306 417 A C -1.276 176.393 177.584 0.142 0.000 1.054 417 A CA -0.462 51.662 52.037 0.145 0.000 0.724 417 A CB 0.892 20.066 19.000 0.290 0.000 1.267 417 A HN 0.783 nan 8.150 nan 0.000 0.418 418 L N 2.485 123.833 121.223 0.208 0.000 2.283 418 L HA 0.547 4.886 4.340 -0.000 0.000 0.287 418 L C -1.326 175.770 176.870 0.377 0.000 1.073 418 L CA -0.161 54.807 54.840 0.214 0.000 0.822 418 L CB -0.210 41.950 42.059 0.167 0.000 1.186 418 L HN 0.633 nan 8.230 nan 0.000 0.436 419 W N 3.997 125.267 121.300 -0.050 0.000 2.390 419 W HA 0.482 5.141 4.660 -0.000 0.000 0.312 419 W C -0.283 176.299 176.519 0.105 0.000 1.123 419 W CA -1.102 56.197 57.345 -0.076 0.000 1.202 419 W CB 1.139 30.286 29.460 -0.521 0.000 1.251 419 W HN 0.653 nan 8.180 nan 0.000 0.511 420 D N 0.868 121.470 120.400 0.337 0.000 2.581 420 D HA 0.780 5.419 4.640 -0.000 0.000 0.232 420 D C -1.032 175.250 176.300 -0.030 0.000 1.143 420 D CA -1.053 52.961 54.000 0.023 0.000 0.881 420 D CB 2.012 42.407 40.800 -0.675 0.000 1.500 420 D HN 0.296 nan 8.370 nan 0.000 0.458 421 R N 0.126 120.446 120.500 -0.300 0.000 2.643 421 R HA 0.482 4.822 4.340 -0.000 0.000 0.269 421 R C -2.858 173.216 176.300 -0.378 0.000 1.037 421 R CA -2.030 53.765 56.100 -0.508 0.000 0.894 421 R CB 2.379 31.991 30.300 -1.147 0.000 1.238 421 R HN 0.416 nan 8.270 nan 0.000 0.459 422 P HA 0.168 nan 4.420 nan 0.000 0.277 422 P C -0.726 176.516 177.300 -0.097 0.000 1.240 422 P CA -0.297 62.663 63.100 -0.234 0.000 0.798 422 P CB 0.795 32.365 31.700 -0.216 0.000 0.979 423 M N 0.781 120.302 119.600 -0.132 0.000 2.314 423 M HA 0.199 4.678 4.480 -0.000 0.000 0.342 423 M C 0.570 176.871 176.300 0.002 0.000 1.171 423 M CA -0.154 55.068 55.300 -0.130 0.000 1.098 423 M CB 0.367 32.652 32.600 -0.526 0.000 1.559 423 M HN 0.258 nan 8.290 nan 0.000 0.459 424 S N 3.383 119.111 115.700 0.047 0.000 2.533 424 S HA 0.402 4.872 4.470 -0.000 0.000 0.282 424 S C 0.024 174.700 174.600 0.126 0.000 1.304 424 S CA -0.335 57.913 58.200 0.079 0.000 1.063 424 S CB 0.354 63.598 63.200 0.074 0.000 0.881 424 S HN 0.493 nan 8.310 nan 0.000 0.493 425 R N 1.324 121.877 120.500 0.088 0.000 2.739 425 R HA 0.538 4.878 4.340 -0.000 0.000 0.271 425 R C -1.311 174.982 176.300 -0.012 0.000 1.010 425 R CA -0.725 55.409 56.100 0.056 0.000 0.897 425 R CB 1.735 32.070 30.300 0.058 0.000 1.236 425 R HN 0.450 nan 8.270 nan 0.000 0.466 426 S N 1.802 117.456 115.700 -0.078 0.000 2.456 426 S HA 0.509 4.979 4.470 -0.000 0.000 0.316 426 S C -0.713 173.642 174.600 -0.408 0.000 1.089 426 S CA -0.702 57.388 58.200 -0.183 0.000 1.101 426 S CB 0.618 63.738 63.200 -0.134 0.000 0.995 426 S HN 0.269 nan 8.310 nan 0.000 0.468 427 L N 4.513 125.485 121.223 -0.418 0.000 2.341 427 L HA 0.530 4.870 4.340 -0.000 0.000 0.278 427 L C -0.533 175.982 176.870 -0.590 0.000 1.005 427 L CA -0.814 53.723 54.840 -0.505 0.000 0.818 427 L CB 1.217 43.093 42.059 -0.304 0.000 1.259 427 L HN 0.587 nan 8.230 nan 0.000 0.418 428 H N 5.216 124.164 119.070 -0.203 0.000 2.673 428 H HA 0.550 5.105 4.556 -0.000 0.000 0.293 428 H C -0.692 174.372 175.328 -0.441 0.000 1.065 428 H CA -0.349 55.532 56.048 -0.278 0.000 1.236 428 H CB 1.317 31.053 29.762 -0.044 0.000 1.389 428 H HN 0.384 nan 8.280 nan 0.000 0.481 429 L N 1.537 122.331 121.223 -0.715 0.000 2.301 429 L HA 0.490 4.829 4.340 -0.000 0.000 0.264 429 L C 0.127 176.730 176.870 -0.445 0.000 1.016 429 L CA -0.782 53.664 54.840 -0.657 0.000 0.821 429 L CB 2.315 43.815 42.059 -0.932 0.000 1.346 429 L HN 0.380 nan 8.230 nan 0.000 0.429 430 T N 0.941 115.454 114.554 -0.068 0.000 2.833 430 T HA 0.605 4.955 4.350 -0.000 0.000 0.297 430 T C 0.203 175.073 174.700 0.283 0.000 1.015 430 T CA 0.022 62.200 62.100 0.131 0.000 0.963 430 T CB 1.301 70.209 68.868 0.067 0.000 0.955 430 T HN 1.041 nan 8.240 nan 0.000 0.449 431 G N 2.194 111.237 108.800 0.405 0.000 2.645 431 G HA2 0.201 4.161 3.960 -0.000 0.000 0.246 431 G HA3 0.201 4.161 3.960 -0.000 0.000 0.246 431 G C 0.790 175.912 174.900 0.370 0.000 1.322 431 G CA 0.306 45.579 45.100 0.287 0.000 0.898 431 G HN 1.954 nan 8.290 nan 0.000 0.573 432 G N -2.166 106.751 108.800 0.195 0.000 2.194 432 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.236 432 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.236 432 G C 0.369 175.304 174.900 0.058 0.000 0.987 432 G CA 0.740 45.969 45.100 0.215 0.000 0.635 432 G HN 1.552 nan 8.290 nan 0.000 0.520 433 I N 2.598 123.103 120.570 -0.107 0.000 2.339 433 I HA 0.527 4.697 4.170 -0.000 0.000 0.290 433 I C 0.477 176.485 176.117 -0.181 0.000 0.994 433 I CA -0.149 61.005 61.300 -0.244 0.000 1.191 433 I CB 1.759 39.455 38.000 -0.506 0.000 1.343 433 I HN 0.240 nan 8.210 nan 0.000 0.458 434 T N 2.569 117.032 114.554 -0.152 0.000 2.893 434 T HA 0.542 4.892 4.350 -0.000 0.000 0.291 434 T C -0.703 173.927 174.700 -0.118 0.000 1.028 434 T CA -1.001 61.029 62.100 -0.117 0.000 0.995 434 T CB 2.329 71.147 68.868 -0.083 0.000 1.051 434 T HN 0.605 nan 8.240 nan 0.000 0.470 435 K N 1.769 122.109 120.400 -0.100 0.000 2.613 435 K HA 0.646 4.966 4.320 -0.000 0.000 0.248 435 K C -0.317 176.249 176.600 -0.056 0.000 0.959 435 K CA -0.753 55.484 56.287 -0.083 0.000 0.855 435 K CB 1.430 33.865 32.500 -0.109 0.000 1.143 435 K HN 0.936 nan 8.250 nan 0.000 0.437 436 A N 2.959 125.759 122.820 -0.035 0.000 2.445 436 A HA 0.484 4.804 4.320 -0.000 0.000 0.242 436 A C 0.261 177.832 177.584 -0.021 0.000 1.075 436 A CA 0.100 52.123 52.037 -0.025 0.000 0.777 436 A CB 0.263 19.255 19.000 -0.013 0.000 1.013 436 A HN 0.905 nan 8.150 nan 0.000 0.493 437 A N 2.387 125.194 122.820 -0.021 0.000 2.531 437 A HA 0.386 4.706 4.320 -0.000 0.000 0.236 437 A C 0.955 178.533 177.584 -0.010 0.000 1.062 437 A CA 0.477 52.503 52.037 -0.019 0.000 0.760 437 A CB -0.340 18.649 19.000 -0.018 0.000 0.995 437 A HN 1.390 nan 8.150 nan 0.000 0.501 438 N N -1.316 117.377 118.700 -0.012 0.000 2.925 438 N HA -0.182 4.558 4.740 -0.000 0.000 0.244 438 N C -0.139 175.375 175.510 0.007 0.000 1.000 438 N CA 1.806 54.853 53.050 -0.005 0.000 0.895 438 N CB -1.564 36.921 38.487 -0.004 0.000 1.119 438 N HN 1.048 nan 8.380 nan 0.000 0.569 439 Q N -1.160 118.648 119.800 0.013 0.000 2.605 439 Q HA 0.652 4.992 4.340 -0.000 0.000 0.296 439 Q C 0.213 176.224 176.000 0.018 0.000 1.056 439 Q CA -0.804 55.026 55.803 0.044 0.000 0.778 439 Q CB 0.861 29.655 28.738 0.094 0.000 1.497 439 Q HN 0.019 nan 8.270 nan 0.000 0.443 440 R N -0.859 119.647 120.500 0.009 0.000 2.397 440 R HA 0.276 4.615 4.340 -0.000 0.000 0.241 440 R C -0.439 175.721 176.300 -0.233 0.000 0.914 440 R CA -0.051 55.963 56.100 -0.143 0.000 1.071 440 R CB 0.486 30.651 30.300 -0.225 0.000 1.116 440 R HN 0.484 nan 8.270 nan 0.000 0.524 441 Y N 0.883 121.147 120.300 -0.060 0.000 2.316 441 Y HA 0.373 4.922 4.550 -0.000 0.000 0.331 441 Y C 0.499 176.339 175.900 -0.101 0.000 1.083 441 Y CA -0.827 57.232 58.100 -0.068 0.000 1.206 441 Y CB 1.140 39.575 38.460 -0.042 0.000 1.195 441 Y HN -0.024 nan 8.280 nan 0.000 0.497 442 A N 2.170 124.976 122.820 -0.023 0.000 2.292 442 A HA 0.562 4.881 4.320 -0.000 0.000 0.319 442 A C 0.025 177.548 177.584 -0.101 0.000 1.206 442 A CA -0.616 51.355 52.037 -0.111 0.000 0.835 442 A CB 0.360 19.217 19.000 -0.239 0.000 1.164 442 A HN 0.704 nan 8.150 nan 0.000 0.505 443 T N 1.514 115.997 114.554 -0.118 0.000 2.837 443 T HA 0.582 4.932 4.350 -0.000 0.000 0.285 443 T C -0.287 174.260 174.700 -0.255 0.000 0.984 443 T CA -0.552 61.453 62.100 -0.159 0.000 1.049 443 T CB 0.134 68.947 68.868 -0.092 0.000 0.947 443 T HN 0.348 nan 8.240 nan 0.000 0.472 444 I N 4.685 124.979 120.570 -0.461 0.000 2.339 444 I HA 0.256 4.426 4.170 -0.000 0.000 0.290 444 I C 0.475 176.391 176.117 -0.335 0.000 0.994 444 I CA -0.758 60.253 61.300 -0.481 0.000 1.191 444 I CB 1.048 38.552 38.000 -0.827 0.000 1.343 444 I HN 0.849 nan 8.210 nan 0.000 0.458 445 H N 6.643 125.642 119.070 -0.119 0.000 2.690 445 H HA 0.501 5.057 4.556 -0.000 0.000 0.289 445 H C -1.529 173.886 175.328 0.145 0.000 1.089 445 H CA -0.313 55.745 56.048 0.016 0.000 1.299 445 H CB 1.092 30.884 29.762 0.050 0.000 1.405 445 H HN 0.323 nan 8.280 nan 0.000 0.463 446 V N 8.357 128.236 119.914 -0.059 0.000 2.462 446 V HA 0.197 4.317 4.120 -0.000 0.000 0.288 446 V C -2.360 173.733 176.094 -0.002 0.000 1.020 446 V CA -1.671 60.646 62.300 0.028 0.000 0.857 446 V CB 1.579 33.574 31.823 0.286 0.000 1.013 446 V HN 0.770 nan 8.190 nan 0.000 0.431 447 P HA 0.231 nan 4.420 nan 0.000 0.271 447 P C -0.078 177.214 177.300 -0.013 0.000 1.220 447 P CA 0.340 63.376 63.100 -0.108 0.000 0.768 447 P CB 0.287 31.921 31.700 -0.110 0.000 0.848 448 D N 1.030 121.401 120.400 -0.048 0.000 2.723 448 D HA -0.195 4.444 4.640 -0.000 0.000 0.236 448 D C 1.242 177.462 176.300 -0.133 0.000 1.138 448 D CA 0.782 54.699 54.000 -0.139 0.000 0.676 448 D CB -1.345 39.410 40.800 -0.074 0.000 1.069 448 D HN 0.713 nan 8.370 nan 0.000 0.430 449 H N -0.779 118.296 119.070 0.008 0.000 2.422 449 H HA -0.028 4.528 4.556 -0.000 0.000 0.298 449 H C 1.765 177.059 175.328 -0.057 0.000 1.098 449 H CA 1.541 57.596 56.048 0.012 0.000 1.315 449 H CB -0.302 29.523 29.762 0.105 0.000 1.382 449 H HN 0.380 nan 8.280 nan 0.000 0.523 450 G N 1.334 109.901 108.800 -0.388 0.000 2.225 450 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.267 450 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.267 450 G C -0.002 174.749 174.900 -0.248 0.000 1.024 450 G CA 0.614 45.594 45.100 -0.199 0.000 0.784 450 G HN 0.425 nan 8.290 nan 0.000 0.507 451 L N -1.100 120.135 121.223 0.019 0.000 2.352 451 L HA 0.851 5.191 4.340 -0.000 0.000 0.269 451 L C 0.284 177.069 176.870 -0.142 0.000 1.034 451 L CA -1.246 53.482 54.840 -0.186 0.000 0.806 451 L CB 0.970 42.876 42.059 -0.256 0.000 1.244 451 L HN -0.036 nan 8.230 nan 0.000 0.447 452 F N -0.435 119.533 119.950 0.029 0.000 2.598 452 F HA 0.454 4.981 4.527 -0.000 0.000 0.327 452 F C 0.137 175.940 175.800 0.005 0.000 1.057 452 F CA -1.355 56.671 58.000 0.044 0.000 0.957 452 F CB 1.255 40.273 39.000 0.030 0.000 1.278 452 F HN -0.072 nan 8.300 nan 0.000 0.484 453 V N 1.707 121.768 119.914 0.245 0.000 2.644 453 V HA 0.309 4.428 4.120 -0.000 0.000 0.305 453 V C 0.963 177.120 176.094 0.105 0.000 1.053 453 V CA 1.594 63.976 62.300 0.137 0.000 1.186 453 V CB -0.080 31.808 31.823 0.108 0.000 0.895 453 V HN 1.086 nan 8.190 nan 0.000 0.490 454 G N 3.615 112.459 108.800 0.073 0.000 2.213 454 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.236 454 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.236 454 G C -0.043 174.881 174.900 0.039 0.000 0.991 454 G CA 0.028 45.160 45.100 0.053 0.000 0.629 454 G HN 0.676 nan 8.290 nan 0.000 0.517 455 D N -0.007 120.407 120.400 0.023 0.000 2.399 455 D HA 0.438 5.078 4.640 -0.000 0.000 0.241 455 D C 0.374 176.689 176.300 0.025 0.000 1.133 455 D CA -0.305 53.693 54.000 -0.003 0.000 0.890 455 D CB 0.478 41.234 40.800 -0.072 0.000 1.201 455 D HN 0.144 nan 8.370 nan 0.000 0.432 456 F N 2.062 121.961 119.950 -0.084 0.000 2.495 456 F HA 0.277 4.804 4.527 -0.000 0.000 0.365 456 F C -0.108 175.655 175.800 -0.063 0.000 1.090 456 F CA -0.242 57.729 58.000 -0.050 0.000 1.235 456 F CB 0.440 39.411 39.000 -0.048 0.000 1.119 456 F HN 0.042 nan 8.300 nan 0.000 0.562 457 V N 4.600 124.130 119.914 -0.640 0.000 2.668 457 V HA 0.427 4.547 4.120 -0.000 0.000 0.304 457 V C -1.108 174.586 176.094 -0.668 0.000 1.071 457 V CA -1.043 60.951 62.300 -0.510 0.000 0.894 457 V CB 1.387 33.083 31.823 -0.212 0.000 1.008 457 V HN 0.864 nan 8.190 nan 0.000 0.425 458 N N 3.351 121.741 118.700 -0.517 0.000 2.362 458 N HA 0.622 5.362 4.740 -0.000 0.000 0.298 458 N C -1.851 173.538 175.510 -0.202 0.000 1.048 458 N CA -0.366 52.544 53.050 -0.233 0.000 0.858 458 N CB 2.113 40.630 38.487 0.050 0.000 1.218 458 N HN 0.642 nan 8.380 nan 0.000 0.488 459 F N 0.497 120.499 119.950 0.086 0.000 2.532 459 F HA 0.434 4.961 4.527 -0.000 0.000 0.321 459 F C 0.228 176.134 175.800 0.177 0.000 1.089 459 F CA -0.613 57.496 58.000 0.180 0.000 0.926 459 F CB 2.207 41.281 39.000 0.122 0.000 1.168 459 F HN 0.247 nan 8.300 nan 0.000 0.459 460 S N 1.670 117.631 115.700 0.436 0.000 2.536 460 S HA 0.324 4.793 4.470 -0.000 0.000 0.287 460 S C -0.330 174.506 174.600 0.393 0.000 1.101 460 S CA -1.117 57.289 58.200 0.343 0.000 0.950 460 S CB 1.559 64.939 63.200 0.299 0.000 1.056 460 S HN 0.775 nan 8.310 nan 0.000 0.481 461 N N 0.874 119.738 118.700 0.274 0.000 2.714 461 N HA -0.222 4.517 4.740 -0.000 0.000 0.250 461 N C 1.265 176.914 175.510 0.231 0.000 1.117 461 N CA 1.003 54.198 53.050 0.242 0.000 0.719 461 N CB -1.378 37.286 38.487 0.295 0.000 1.081 461 N HN 0.813 nan 8.380 nan 0.000 0.557 462 S N 0.151 115.957 115.700 0.178 0.000 2.400 462 S HA 0.030 4.499 4.470 -0.000 0.000 0.232 462 S C 1.484 176.026 174.600 -0.098 0.000 1.025 462 S CA 1.962 60.154 58.200 -0.014 0.000 0.993 462 S CB -0.170 62.934 63.200 -0.160 0.000 0.808 462 S HN 1.352 nan 8.310 nan 0.000 0.478 463 A N -1.030 121.767 122.820 -0.039 0.000 2.847 463 A HA -0.098 4.221 4.320 -0.000 0.000 0.263 463 A C 0.290 177.811 177.584 -0.104 0.000 1.391 463 A CA 0.863 52.869 52.037 -0.053 0.000 0.866 463 A CB -2.416 16.565 19.000 -0.031 0.000 1.057 463 A HN 1.113 nan 8.150 nan 0.000 0.673 464 V N 1.377 121.200 119.914 -0.152 0.000 2.380 464 V HA 0.396 4.516 4.120 -0.000 0.000 0.286 464 V C 0.714 176.712 176.094 -0.160 0.000 1.015 464 V CA -0.041 62.155 62.300 -0.173 0.000 0.834 464 V CB 1.327 33.000 31.823 -0.249 0.000 1.009 464 V HN 0.528 nan 8.190 nan 0.000 0.428 465 T N 3.970 118.453 114.554 -0.118 0.000 2.777 465 T HA 0.267 4.617 4.350 -0.000 0.000 0.273 465 T C 1.446 176.069 174.700 -0.129 0.000 1.016 465 T CA 1.522 63.561 62.100 -0.101 0.000 1.156 465 T CB 0.177 68.996 68.868 -0.083 0.000 1.019 465 T HN 1.541 nan 8.240 nan 0.000 0.503 466 G N 2.136 110.865 108.800 -0.119 0.000 2.320 466 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.242 466 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.242 466 G C 0.306 175.092 174.900 -0.190 0.000 1.033 466 G CA -0.098 44.919 45.100 -0.138 0.000 0.620 466 G HN 0.877 nan 8.290 nan 0.000 0.517 467 V N 1.727 121.483 119.914 -0.262 0.000 2.326 467 V HA 0.649 4.769 4.120 -0.000 0.000 0.249 467 V C 0.449 176.379 176.094 -0.273 0.000 1.114 467 V CA 0.820 62.854 62.300 -0.443 0.000 1.028 467 V CB 0.597 32.028 31.823 -0.654 0.000 1.170 467 V HN 0.687 nan 8.190 nan 0.000 0.494 468 S N 2.817 118.446 115.700 -0.118 0.000 2.560 468 S HA 0.653 5.122 4.470 -0.000 0.000 0.283 468 S C 0.098 174.758 174.600 0.101 0.000 1.141 468 S CA 0.412 58.640 58.200 0.046 0.000 0.902 468 S CB 1.368 64.570 63.200 0.004 0.000 1.104 468 S HN 1.679 nan 8.310 nan 0.000 0.454 469 G N 3.817 112.709 108.800 0.154 0.000 2.569 469 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.259 469 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.259 469 G C -1.165 173.799 174.900 0.107 0.000 1.263 469 G CA 0.247 45.423 45.100 0.126 0.000 0.928 469 G HN 0.755 nan 8.290 nan 0.000 0.572 470 D N 1.489 121.929 120.400 0.066 0.000 2.339 470 D HA 0.587 5.226 4.640 -0.000 0.000 0.256 470 D C 0.902 177.154 176.300 -0.080 0.000 1.214 470 D CA 0.705 54.680 54.000 -0.041 0.000 0.877 470 D CB 0.682 41.576 40.800 0.156 0.000 1.111 470 D HN 0.505 nan 8.370 nan 0.000 0.478 471 M N 0.507 119.980 119.600 -0.211 0.000 2.745 471 M HA 0.450 4.930 4.480 -0.000 0.000 0.290 471 M C 0.009 176.217 176.300 -0.153 0.000 1.262 471 M CA -0.890 54.359 55.300 -0.084 0.000 0.795 471 M CB 2.426 35.067 32.600 0.068 0.000 1.758 471 M HN 0.261 nan 8.290 nan 0.000 0.461 472 T N -1.608 112.930 114.554 -0.027 0.000 2.907 472 T HA 0.636 4.986 4.350 -0.000 0.000 0.292 472 T C -0.565 174.172 174.700 0.061 0.000 1.043 472 T CA -0.860 61.237 62.100 -0.005 0.000 1.003 472 T CB 1.284 70.169 68.868 0.028 0.000 1.084 472 T HN 0.368 nan 8.240 nan 0.000 0.483 473 V N 2.987 122.926 119.914 0.040 0.000 2.493 473 V HA 0.367 4.486 4.120 -0.000 0.000 0.292 473 V C 1.598 177.773 176.094 0.136 0.000 1.016 473 V CA 0.641 62.995 62.300 0.090 0.000 1.097 473 V CB -0.282 31.509 31.823 -0.054 0.000 0.947 473 V HN 1.205 nan 8.190 nan 0.000 0.479 474 A N 4.877 127.819 122.820 0.203 0.000 1.850 474 A HA 0.188 4.508 4.320 -0.000 0.000 0.212 474 A C 1.190 178.884 177.584 0.183 0.000 1.208 474 A CA 1.309 53.478 52.037 0.219 0.000 0.609 474 A CB -0.041 19.175 19.000 0.360 0.000 0.860 474 A HN 0.870 nan 8.150 nan 0.000 0.448 475 T N -3.122 111.540 114.554 0.180 0.000 2.901 475 T HA 0.546 4.896 4.350 -0.000 0.000 0.293 475 T C -0.778 174.034 174.700 0.186 0.000 1.084 475 T CA -0.068 62.109 62.100 0.128 0.000 1.008 475 T CB 1.337 70.226 68.868 0.036 0.000 1.170 475 T HN 1.162 nan 8.240 nan 0.000 0.509 476 V N 1.617 121.643 119.914 0.186 0.000 2.357 476 V HA 0.575 4.694 4.120 -0.000 0.000 0.284 476 V C 0.727 176.939 176.094 0.197 0.000 1.018 476 V CA -0.634 61.816 62.300 0.251 0.000 0.841 476 V CB 0.356 32.387 31.823 0.347 0.000 0.991 476 V HN 0.997 nan 8.190 nan 0.000 0.437 477 I N 3.477 124.158 120.570 0.185 0.000 2.235 477 I HA 0.120 4.290 4.170 -0.000 0.000 0.241 477 I C 0.907 177.115 176.117 0.152 0.000 1.085 477 I CA 1.668 63.044 61.300 0.127 0.000 1.378 477 I CB 0.139 38.194 38.000 0.093 0.000 1.076 477 I HN 1.030 nan 8.210 nan 0.000 0.415 478 D N -1.464 119.066 120.400 0.216 0.000 2.779 478 D HA 0.022 4.661 4.640 -0.000 0.000 0.331 478 D C 0.399 176.871 176.300 0.288 0.000 1.331 478 D CA -0.704 53.418 54.000 0.204 0.000 0.866 478 D CB 0.281 41.164 40.800 0.140 0.000 1.409 478 D HN -0.022 nan 8.370 nan 0.000 0.486 479 K N -0.716 119.771 120.400 0.144 0.000 2.281 479 K HA -0.152 4.168 4.320 -0.000 0.000 0.203 479 K C -0.215 176.409 176.600 0.039 0.000 1.046 479 K CA 1.610 57.881 56.287 -0.025 0.000 0.938 479 K CB -0.260 32.170 32.500 -0.116 0.000 0.737 479 K HN 0.298 nan 8.250 nan 0.000 0.458 480 D N -0.057 120.490 120.400 0.246 0.000 2.407 480 D HA 0.102 4.742 4.640 -0.000 0.000 0.208 480 D C -0.570 175.934 176.300 0.340 0.000 1.083 480 D CA 0.102 54.256 54.000 0.257 0.000 0.844 480 D CB 0.334 41.249 40.800 0.191 0.000 0.967 480 D HN 0.283 nan 8.370 nan 0.000 0.506 481 N N -0.073 118.856 118.700 0.382 0.000 2.287 481 N HA 0.498 5.238 4.740 -0.000 0.000 0.289 481 N C -1.117 174.477 175.510 0.141 0.000 1.066 481 N CA -0.802 52.353 53.050 0.176 0.000 0.841 481 N CB 2.164 40.752 38.487 0.169 0.000 1.599 481 N HN -0.094 nan 8.380 nan 0.000 0.476 482 F N -1.829 118.084 119.950 -0.060 0.000 2.711 482 F HA 0.831 5.358 4.527 -0.000 0.000 0.313 482 F C -0.832 174.973 175.800 0.009 0.000 1.141 482 F CA -0.976 56.986 58.000 -0.063 0.000 0.941 482 F CB 1.174 40.040 39.000 -0.224 0.000 1.349 482 F HN 0.351 nan 8.300 nan 0.000 0.464 483 T N -0.255 114.448 114.554 0.248 0.000 2.916 483 T HA 0.790 5.139 4.350 -0.000 0.000 0.292 483 T C -0.947 173.936 174.700 0.305 0.000 1.055 483 T CA -0.531 61.671 62.100 0.170 0.000 1.009 483 T CB 1.549 70.522 68.868 0.175 0.000 1.118 483 T HN 1.518 nan 8.240 nan 0.000 0.497 484 V N 0.134 120.157 119.914 0.182 0.000 2.604 484 V HA 0.730 4.849 4.120 -0.000 0.000 0.305 484 V C -0.401 175.686 176.094 -0.012 0.000 1.043 484 V CA -1.323 61.052 62.300 0.124 0.000 0.888 484 V CB 1.282 33.150 31.823 0.075 0.000 0.995 484 V HN 0.919 nan 8.190 nan 0.000 0.429 485 L N 5.221 126.380 121.223 -0.106 0.000 2.433 485 L HA 0.480 4.820 4.340 -0.000 0.000 0.275 485 L C 0.912 177.610 176.870 -0.287 0.000 1.128 485 L CA 1.014 55.597 54.840 -0.429 0.000 0.875 485 L CB 0.581 42.402 42.059 -0.396 0.000 1.171 485 L HN 1.159 nan 8.230 nan 0.000 0.463 486 T N 2.773 117.144 114.554 -0.305 0.000 2.882 486 T HA 0.414 4.764 4.350 -0.000 0.000 0.287 486 T C -1.696 172.891 174.700 -0.189 0.000 1.014 486 T CA -1.565 60.404 62.100 -0.218 0.000 1.049 486 T CB 0.911 69.659 68.868 -0.201 0.000 1.001 486 T HN 0.526 nan 8.240 nan 0.000 0.525 487 P HA 0.067 nan 4.420 nan 0.000 0.236 487 P C 0.093 177.334 177.300 -0.098 0.000 1.172 487 P CA 0.618 63.655 63.100 -0.105 0.000 0.759 487 P CB -0.164 31.490 31.700 -0.077 0.000 0.843 488 N N -2.011 116.623 118.700 -0.109 0.000 3.116 488 N HA 0.176 4.916 4.740 -0.000 0.000 0.244 488 N C -1.540 173.920 175.510 -0.084 0.000 1.485 488 N CA -0.859 52.140 53.050 -0.084 0.000 0.884 488 N CB 1.351 39.796 38.487 -0.069 0.000 1.415 488 N HN -0.132 nan 8.380 nan 0.000 0.524 489 Q N -0.117 119.645 119.800 -0.063 0.000 2.458 489 Q HA 0.514 4.854 4.340 -0.000 0.000 0.282 489 Q C -1.409 174.565 176.000 -0.044 0.000 1.106 489 Q CA -0.790 54.981 55.803 -0.053 0.000 0.814 489 Q CB 2.624 31.339 28.738 -0.039 0.000 1.425 489 Q HN 0.630 nan 8.270 nan 0.000 0.437 490 Q N 0.002 119.778 119.800 -0.040 0.000 2.451 490 Q HA 0.311 4.651 4.340 -0.000 0.000 0.281 490 Q C -0.022 175.961 176.000 -0.028 0.000 1.099 490 Q CA -0.265 55.517 55.803 -0.035 0.000 0.806 490 Q CB 2.480 31.194 28.738 -0.041 0.000 1.419 490 Q HN 0.927 nan 8.270 nan 0.000 0.427 491 T N -3.190 111.349 114.554 -0.024 0.000 3.113 491 T HA 0.063 4.413 4.350 -0.000 0.000 0.256 491 T C 0.611 175.299 174.700 -0.020 0.000 1.131 491 T CA 0.245 62.333 62.100 -0.020 0.000 1.074 491 T CB -0.011 68.847 68.868 -0.017 0.000 0.944 491 T HN 0.442 nan 8.240 nan 0.000 0.516 492 S N 0.481 116.166 115.700 -0.024 0.000 2.570 492 S HA 0.607 5.077 4.470 -0.000 0.000 0.286 492 S C -1.451 173.131 174.600 -0.031 0.000 1.099 492 S CA -1.113 57.072 58.200 -0.025 0.000 0.913 492 S CB 1.761 64.947 63.200 -0.023 0.000 1.085 492 S HN 0.075 nan 8.310 nan 0.000 0.480 493 D N 0.884 121.265 120.400 -0.031 0.000 2.362 493 D HA 0.471 5.111 4.640 -0.000 0.000 0.242 493 D C -0.435 175.838 176.300 -0.045 0.000 1.132 493 D CA 0.058 54.036 54.000 -0.038 0.000 0.907 493 D CB 0.494 41.274 40.800 -0.034 0.000 1.195 493 D HN 0.458 nan 8.370 nan 0.000 0.429 494 L N 1.931 123.120 121.223 -0.057 0.000 2.365 494 L HA 0.434 4.773 4.340 -0.000 0.000 0.273 494 L C -0.283 176.540 176.870 -0.078 0.000 1.000 494 L CA -0.771 54.028 54.840 -0.069 0.000 0.819 494 L CB 1.690 43.697 42.059 -0.087 0.000 1.284 494 L HN 0.232 nan 8.230 nan 0.000 0.418 495 N N 1.664 120.320 118.700 -0.073 0.000 2.542 495 N HA 0.098 4.838 4.740 -0.000 0.000 0.288 495 N C -0.622 174.848 175.510 -0.066 0.000 1.115 495 N CA -0.512 52.494 53.050 -0.073 0.000 0.924 495 N CB 1.167 39.623 38.487 -0.051 0.000 1.526 495 N HN 0.611 nan 8.380 nan 0.000 0.515 496 N N 2.305 120.951 118.700 -0.091 0.000 2.362 496 N HA 0.073 4.813 4.740 -0.000 0.000 0.204 496 N C 0.021 175.534 175.510 0.005 0.000 1.166 496 N CA -0.222 52.789 53.050 -0.066 0.000 0.831 496 N CB -0.275 38.125 38.487 -0.146 0.000 1.008 496 N HN 0.528 nan 8.380 nan 0.000 0.472 497 A N -0.023 122.803 122.820 0.010 0.000 2.600 497 A HA 0.377 4.697 4.320 -0.000 0.000 0.244 497 A C 1.641 179.255 177.584 0.049 0.000 1.016 497 A CA 0.723 52.784 52.037 0.039 0.000 0.778 497 A CB -1.021 17.991 19.000 0.019 0.000 0.920 497 A HN 1.046 nan 8.150 nan 0.000 0.513 498 G N 1.867 110.710 108.800 0.073 0.000 2.234 498 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.260 498 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.260 498 G C 0.323 175.273 174.900 0.082 0.000 0.987 498 G CA 0.724 45.864 45.100 0.067 0.000 0.625 498 G HN 0.807 nan 8.290 nan 0.000 0.532 499 K N 1.203 121.669 120.400 0.109 0.000 2.172 499 K HA 0.410 4.729 4.320 -0.000 0.000 0.276 499 K C -0.195 176.543 176.600 0.229 0.000 1.013 499 K CA -0.667 55.698 56.287 0.131 0.000 0.913 499 K CB 0.851 33.409 32.500 0.096 0.000 1.055 499 K HN 0.217 nan 8.250 nan 0.000 0.461 500 N N 3.236 122.034 118.700 0.163 0.000 2.479 500 N HA 0.368 5.107 4.740 -0.000 0.000 0.285 500 N C -0.330 175.264 175.510 0.141 0.000 1.075 500 N CA -0.346 52.761 53.050 0.096 0.000 0.967 500 N CB 1.136 39.616 38.487 -0.011 0.000 1.137 500 N HN 0.556 nan 8.380 nan 0.000 0.472 501 W N 0.506 121.678 121.300 -0.214 0.000 3.003 501 W HA 0.484 5.144 4.660 -0.000 0.000 0.362 501 W C -1.485 174.763 176.519 -0.452 0.000 1.213 501 W CA -0.597 56.636 57.345 -0.187 0.000 1.157 501 W CB 0.290 29.759 29.460 0.016 0.000 1.493 501 W HN 0.399 nan 8.180 nan 0.000 0.589 502 H N 0.688 119.900 119.070 0.237 0.000 2.806 502 H HA 0.658 5.214 4.556 -0.000 0.000 0.367 502 H C -0.636 174.728 175.328 0.060 0.000 1.136 502 H CA -0.780 55.250 56.048 -0.029 0.000 1.178 502 H CB 2.904 32.712 29.762 0.077 0.000 1.718 502 H HN 0.298 nan 8.280 nan 0.000 0.540 503 M N 1.056 120.598 119.600 -0.096 0.000 2.602 503 M HA 0.556 5.036 4.480 -0.000 0.000 0.312 503 M C -0.009 176.222 176.300 -0.114 0.000 1.181 503 M CA -0.024 55.190 55.300 -0.143 0.000 0.910 503 M CB 1.953 34.445 32.600 -0.180 0.000 1.723 503 M HN 0.973 nan 8.290 nan 0.000 0.459 504 G N 0.577 109.342 108.800 -0.059 0.000 2.507 504 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.205 504 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.205 504 G C -0.219 174.718 174.900 0.061 0.000 0.996 504 G CA 0.063 45.126 45.100 -0.061 0.000 0.776 504 G HN 0.867 nan 8.290 nan 0.000 0.532 505 T N -1.775 112.837 114.554 0.097 0.000 2.952 505 T HA 0.780 5.129 4.350 -0.000 0.000 0.286 505 T C -0.278 174.526 174.700 0.173 0.000 1.024 505 T CA -0.091 62.108 62.100 0.165 0.000 1.029 505 T CB 2.383 71.279 68.868 0.047 0.000 1.094 505 T HN 1.099 nan 8.240 nan 0.000 0.515 506 S N 0.507 116.284 115.700 0.128 0.000 2.689 506 S HA 0.346 4.816 4.470 -0.000 0.000 0.274 506 S C -0.004 174.551 174.600 -0.075 0.000 1.176 506 S CA -0.826 57.346 58.200 -0.046 0.000 1.014 506 S CB 0.651 63.608 63.200 -0.405 0.000 1.071 506 S HN 0.734 nan 8.310 nan 0.000 0.478 507 F N 4.774 124.565 119.950 -0.265 0.000 2.126 507 F HA -0.082 4.445 4.527 -0.000 0.000 0.299 507 F C 2.066 177.589 175.800 -0.462 0.000 1.096 507 F CA 1.943 59.691 58.000 -0.419 0.000 1.255 507 F CB 0.047 38.765 39.000 -0.471 0.000 0.997 507 F HN 0.797 nan 8.300 nan 0.000 0.479 508 H N -0.092 118.950 119.070 -0.046 0.000 2.470 508 H HA 0.068 4.624 4.556 -0.000 0.000 0.289 508 H C 1.449 176.632 175.328 -0.241 0.000 1.033 508 H CA 0.973 56.939 56.048 -0.137 0.000 1.331 508 H CB -0.039 29.710 29.762 -0.021 0.000 1.414 508 H HN 0.258 nan 8.280 nan 0.000 0.545 509 K N 1.045 121.332 120.400 -0.188 0.000 2.387 509 K HA 0.203 4.523 4.320 -0.000 0.000 0.198 509 K C 0.188 176.714 176.600 -0.124 0.000 1.022 509 K CA 0.039 56.204 56.287 -0.204 0.000 1.128 509 K CB 0.903 33.131 32.500 -0.454 0.000 0.853 509 K HN -0.052 nan 8.250 nan 0.000 0.523 510 S N 2.598 118.168 115.700 -0.216 0.000 2.482 510 S HA 0.403 4.873 4.470 -0.000 0.000 0.303 510 S C -2.517 171.876 174.600 -0.345 0.000 1.091 510 S CA -1.245 56.830 58.200 -0.209 0.000 1.057 510 S CB 2.177 65.245 63.200 -0.220 0.000 1.031 510 S HN 0.049 nan 8.310 nan 0.000 0.485 511 P HA 0.176 nan 4.420 nan 0.000 0.274 511 P C -0.907 176.204 177.300 -0.316 0.000 1.231 511 P CA -0.590 62.366 63.100 -0.240 0.000 0.790 511 P CB 0.474 32.108 31.700 -0.111 0.000 0.951 512 W N 1.533 122.626 121.300 -0.345 0.000 2.193 512 W HA 0.165 4.825 4.660 -0.000 0.000 0.338 512 W C 1.508 177.841 176.519 -0.310 0.000 1.310 512 W CA -0.068 57.042 57.345 -0.391 0.000 1.243 512 W CB 0.258 29.351 29.460 -0.612 0.000 1.165 512 W HN 0.248 nan 8.180 nan 0.000 0.566 513 R N 3.435 123.966 120.500 0.051 0.000 2.221 513 R HA 0.225 4.564 4.340 -0.000 0.000 0.327 513 R C -0.744 175.520 176.300 -0.061 0.000 1.033 513 R CA -0.465 55.638 56.100 0.004 0.000 0.887 513 R CB 0.345 30.689 30.300 0.074 0.000 1.057 513 R HN 0.418 nan 8.270 nan 0.000 0.455 514 K N 3.195 123.491 120.400 -0.172 0.000 2.367 514 K HA 0.229 4.548 4.320 -0.000 0.000 0.263 514 K C -0.995 175.594 176.600 -0.019 0.000 1.000 514 K CA -0.494 55.666 56.287 -0.210 0.000 0.891 514 K CB 2.147 34.366 32.500 -0.469 0.000 1.117 514 K HN 0.435 nan 8.250 nan 0.000 0.443 515 T N 1.976 116.584 114.554 0.089 0.000 2.753 515 T HA 0.062 4.412 4.350 -0.000 0.000 0.297 515 T C -0.498 174.287 174.700 0.140 0.000 0.981 515 T CA -0.594 61.569 62.100 0.104 0.000 0.956 515 T CB 0.597 69.542 68.868 0.128 0.000 0.936 515 T HN 0.375 nan 8.240 nan 0.000 0.463 516 D N 3.134 123.599 120.400 0.108 0.000 2.371 516 D HA 0.107 4.747 4.640 -0.000 0.000 0.256 516 D C 0.634 176.998 176.300 0.107 0.000 1.193 516 D CA -0.186 53.881 54.000 0.111 0.000 0.881 516 D CB 0.796 41.646 40.800 0.083 0.000 1.143 516 D HN 0.483 nan 8.370 nan 0.000 0.473 517 L N 3.091 124.381 121.223 0.111 0.000 2.640 517 L HA 0.284 4.624 4.340 -0.000 0.000 0.230 517 L C 1.514 178.425 176.870 0.068 0.000 1.123 517 L CA -0.039 54.870 54.840 0.115 0.000 0.900 517 L CB -0.343 41.790 42.059 0.124 0.000 1.146 517 L HN 0.622 nan 8.230 nan 0.000 0.484 518 G N 1.235 110.066 108.800 0.052 0.000 2.698 518 G HA2 -0.303 3.656 3.960 -0.000 0.000 0.233 518 G HA3 -0.303 3.656 3.960 -0.000 0.000 0.233 518 G C -0.729 174.175 174.900 0.007 0.000 1.352 518 G CA -0.439 44.679 45.100 0.030 0.000 0.879 518 G HN 0.014 nan 8.290 nan 0.000 0.567 519 L N 1.119 122.340 121.223 -0.004 0.000 2.356 519 L HA 0.550 4.890 4.340 -0.000 0.000 0.282 519 L C 0.945 177.797 176.870 -0.030 0.000 1.132 519 L CA -0.510 54.317 54.840 -0.022 0.000 0.923 519 L CB -0.462 41.585 42.059 -0.020 0.000 1.278 519 L HN 0.427 nan 8.230 nan 0.000 0.436 520 I N 7.077 127.607 120.570 -0.066 0.000 2.741 520 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 520 I C -1.601 174.483 176.117 -0.056 0.000 1.192 520 I CA -1.193 60.047 61.300 -0.101 0.000 1.426 520 I CB -0.071 37.739 38.000 -0.317 0.000 1.367 520 I HN 0.495 nan 8.210 nan 0.000 0.563 521 P HA -0.021 nan 4.420 nan 0.000 0.268 521 P C 0.170 177.489 177.300 0.032 0.000 1.205 521 P CA 0.090 63.199 63.100 0.015 0.000 0.771 521 P CB 0.620 32.340 31.700 0.034 0.000 0.858 522 S N 0.161 115.887 115.700 0.043 0.000 3.628 522 S HA -0.111 4.359 4.470 -0.000 0.000 0.373 522 S C -0.355 174.314 174.600 0.114 0.000 0.968 522 S CA 0.441 58.689 58.200 0.079 0.000 1.215 522 S CB -2.317 60.942 63.200 0.099 0.000 0.912 522 S HN 0.221 nan 8.310 nan 0.000 0.495 523 V N 1.475 121.431 119.914 0.070 0.000 2.638 523 V HA 0.603 4.723 4.120 -0.000 0.000 0.306 523 V C 1.026 177.123 176.094 0.006 0.000 1.052 523 V CA -0.126 62.230 62.300 0.093 0.000 0.885 523 V CB 2.090 33.941 31.823 0.046 0.000 0.999 523 V HN 0.598 nan 8.190 nan 0.000 0.424 524 T N 2.226 116.733 114.554 -0.079 0.000 3.056 524 T HA 0.273 4.623 4.350 -0.000 0.000 0.241 524 T C 0.218 174.810 174.700 -0.180 0.000 1.006 524 T CA 0.441 62.439 62.100 -0.169 0.000 1.115 524 T CB 0.316 69.034 68.868 -0.250 0.000 0.939 524 T HN 0.651 nan 8.240 nan 0.000 0.462 525 E N 0.677 120.744 120.200 -0.221 0.000 2.321 525 E HA 0.457 4.807 4.350 -0.000 0.000 0.281 525 E C -1.702 174.996 176.600 0.163 0.000 0.910 525 E CA -0.374 56.014 56.400 -0.020 0.000 0.770 525 E CB 3.109 32.837 29.700 0.047 0.000 1.225 525 E HN -0.070 nan 8.360 nan 0.000 0.417 526 V N 2.783 122.838 119.914 0.235 0.000 2.439 526 V HA 0.369 4.489 4.120 -0.000 0.000 0.282 526 V C -0.516 175.808 176.094 0.384 0.000 1.039 526 V CA -0.315 62.189 62.300 0.339 0.000 0.913 526 V CB 1.045 33.032 31.823 0.272 0.000 0.983 526 V HN 0.672 nan 8.190 nan 0.000 0.460 527 H N 3.028 122.275 119.070 0.296 0.000 3.026 527 H HA 0.585 5.140 4.556 -0.000 0.000 0.352 527 H C -0.535 174.966 175.328 0.287 0.000 1.090 527 H CA 0.616 56.831 56.048 0.278 0.000 1.268 527 H CB 1.586 31.521 29.762 0.289 0.000 1.816 527 H HN 0.892 nan 8.280 nan 0.000 0.518 528 S N 2.774 118.383 115.700 -0.152 0.000 3.425 528 S HA -0.136 4.334 4.470 -0.000 0.000 0.815 528 S C -1.604 173.132 174.600 0.227 0.000 1.102 528 S CA 0.194 58.396 58.200 0.003 0.000 1.114 528 S CB -0.609 62.645 63.200 0.090 0.000 0.716 528 S HN 0.757 nan 8.310 nan 0.000 0.321 529 F N 2.129 122.122 119.950 0.071 0.000 2.588 529 F HA 0.678 5.204 4.527 -0.000 0.000 0.318 529 F C -0.417 175.439 175.800 0.093 0.000 1.155 529 F CA 0.477 58.512 58.000 0.058 0.000 0.967 529 F CB 1.630 40.607 39.000 -0.038 0.000 1.236 529 F HN 0.965 nan 8.300 nan 0.000 0.455 530 A N 3.960 126.645 122.820 -0.226 0.000 2.375 530 A HA 0.554 4.873 4.320 -0.000 0.000 0.291 530 A C -0.668 176.831 177.584 -0.142 0.000 1.160 530 A CA -0.604 51.417 52.037 -0.027 0.000 0.747 530 A CB 0.607 19.664 19.000 0.095 0.000 1.170 530 A HN 0.635 nan 8.150 nan 0.000 0.458 531 T N 3.739 118.330 114.554 0.062 0.000 2.829 531 T HA 0.127 4.477 4.350 -0.000 0.000 0.293 531 T C 1.373 176.106 174.700 0.054 0.000 0.970 531 T CA 0.129 62.321 62.100 0.153 0.000 1.168 531 T CB 0.101 69.139 68.868 0.283 0.000 0.911 531 T HN 0.456 nan 8.240 nan 0.000 0.535 532 I N 2.151 122.703 120.570 -0.030 0.000 2.628 532 I HA 0.159 4.329 4.170 -0.000 0.000 0.255 532 I C 1.073 177.156 176.117 -0.057 0.000 1.119 532 I CA 0.888 62.003 61.300 -0.309 0.000 1.448 532 I CB -0.517 37.257 38.000 -0.377 0.000 1.133 532 I HN 0.753 nan 8.210 nan 0.000 0.438 533 D N -2.164 118.277 120.400 0.070 0.000 3.182 533 D HA -0.011 4.629 4.640 -0.000 0.000 0.352 533 D C 0.201 176.584 176.300 0.137 0.000 1.421 533 D CA -0.529 53.537 54.000 0.111 0.000 0.912 533 D CB 0.062 40.915 40.800 0.088 0.000 1.461 533 D HN -0.271 nan 8.370 nan 0.000 0.548 534 N N -1.333 117.427 118.700 0.099 0.000 2.512 534 N HA 0.055 4.795 4.740 -0.000 0.000 0.183 534 N C 0.344 175.876 175.510 0.037 0.000 1.073 534 N CA 0.835 53.921 53.050 0.060 0.000 0.911 534 N CB -0.039 38.453 38.487 0.008 0.000 0.964 534 N HN 0.287 nan 8.380 nan 0.000 0.447 535 N N -1.417 117.348 118.700 0.109 0.000 2.332 535 N HA 0.234 4.974 4.740 -0.000 0.000 0.190 535 N C 0.453 176.108 175.510 0.242 0.000 1.117 535 N CA 0.507 53.655 53.050 0.164 0.000 0.883 535 N CB 1.420 39.958 38.487 0.084 0.000 1.089 535 N HN 0.173 nan 8.380 nan 0.000 0.480 536 G N 0.028 108.911 108.800 0.139 0.000 2.489 536 G HA2 0.502 4.462 3.960 -0.000 0.000 0.305 536 G HA3 0.502 4.462 3.960 -0.000 0.000 0.305 536 G C -2.023 172.863 174.900 -0.023 0.000 1.311 536 G CA -0.706 44.313 45.100 -0.135 0.000 0.813 536 G HN 0.060 nan 8.290 nan 0.000 0.480 537 F N -2.365 117.566 119.950 -0.031 0.000 2.773 537 F HA 0.907 5.434 4.527 -0.000 0.000 0.314 537 F C -0.409 175.373 175.800 -0.030 0.000 1.160 537 F CA -1.414 56.474 58.000 -0.186 0.000 0.920 537 F CB 1.126 39.770 39.000 -0.593 0.000 1.323 537 F HN 1.199 nan 8.300 nan 0.000 0.457 538 A N 1.918 124.844 122.820 0.176 0.000 2.355 538 A HA 0.915 5.235 4.320 -0.000 0.000 0.324 538 A C -1.176 176.518 177.584 0.183 0.000 1.117 538 A CA -0.893 51.311 52.037 0.278 0.000 0.785 538 A CB 1.452 20.570 19.000 0.197 0.000 1.254 538 A HN 0.809 nan 8.150 nan 0.000 0.453 539 M N 1.587 121.407 119.600 0.366 0.000 2.395 539 M HA 0.482 4.961 4.480 -0.000 0.000 0.307 539 M C 0.534 177.076 176.300 0.404 0.000 1.091 539 M CA -0.405 55.101 55.300 0.343 0.000 0.919 539 M CB 2.349 35.198 32.600 0.415 0.000 1.662 539 M HN 0.859 nan 8.290 nan 0.000 0.440 540 G N 1.427 110.446 108.800 0.365 0.000 2.562 540 G HA2 0.562 4.522 3.960 -0.000 0.000 0.275 540 G HA3 0.562 4.522 3.960 -0.000 0.000 0.275 540 G C -1.501 173.669 174.900 0.450 0.000 1.196 540 G CA -0.078 45.236 45.100 0.357 0.000 0.908 540 G HN 0.804 nan 8.290 nan 0.000 0.524 541 Y N -1.141 119.278 120.300 0.199 0.000 2.656 541 Y HA 0.698 5.248 4.550 -0.000 0.000 0.334 541 Y C -0.907 175.104 175.900 0.185 0.000 1.179 541 Y CA -1.460 56.760 58.100 0.200 0.000 1.050 541 Y CB 1.104 39.689 38.460 0.208 0.000 1.308 541 Y HN 1.059 nan 8.280 nan 0.000 0.456 542 H N -0.150 118.950 119.070 0.050 0.000 3.016 542 H HA 0.603 5.158 4.556 -0.000 0.000 0.362 542 H C -1.889 173.547 175.328 0.179 0.000 1.233 542 H CA -1.009 54.979 56.048 -0.099 0.000 1.124 542 H CB 2.180 31.889 29.762 -0.087 0.000 1.850 542 H HN 0.755 nan 8.280 nan 0.000 0.549 543 Q N 1.560 121.447 119.800 0.145 0.000 2.309 543 Q HA 0.418 4.758 4.340 -0.000 0.000 0.270 543 Q C -0.643 175.464 176.000 0.179 0.000 1.023 543 Q CA -0.246 55.628 55.803 0.117 0.000 0.758 543 Q CB 1.724 30.570 28.738 0.181 0.000 1.247 543 Q HN 1.130 nan 8.270 nan 0.000 0.455 544 G N 3.107 112.011 108.800 0.172 0.000 3.829 544 G HA2 0.072 4.032 3.960 -0.000 0.000 0.279 544 G HA3 0.072 4.032 3.960 -0.000 0.000 0.279 544 G C 0.243 175.204 174.900 0.101 0.000 1.008 544 G CA -0.113 45.094 45.100 0.179 0.000 0.840 544 G HN 0.534 nan 8.290 nan 0.000 0.474 545 D N 0.283 120.723 120.400 0.068 0.000 2.216 545 D HA 0.072 4.712 4.640 -0.000 0.000 0.208 545 D C 1.281 177.602 176.300 0.035 0.000 0.960 545 D CA 1.074 55.099 54.000 0.041 0.000 0.861 545 D CB 1.111 41.923 40.800 0.021 0.000 0.985 545 D HN 0.353 nan 8.370 nan 0.000 0.493 546 V N -2.357 117.581 119.914 0.039 0.000 3.078 546 V HA 0.814 4.934 4.120 -0.000 0.000 0.311 546 V C -0.584 175.533 176.094 0.038 0.000 1.138 546 V CA -1.386 60.934 62.300 0.033 0.000 1.007 546 V CB 1.667 33.506 31.823 0.027 0.000 1.045 546 V HN 0.012 nan 8.190 nan 0.000 0.432 547 A N 3.358 126.196 122.820 0.030 0.000 2.371 547 A HA 0.800 5.119 4.320 -0.000 0.000 0.257 547 A C -1.709 175.895 177.584 0.032 0.000 1.089 547 A CA -0.939 51.115 52.037 0.029 0.000 0.794 547 A CB -0.547 18.465 19.000 0.020 0.000 1.029 547 A HN 0.956 nan 8.150 nan 0.000 0.488 548 P HA 0.345 nan 4.420 nan 0.000 0.281 548 P C -0.380 176.949 177.300 0.048 0.000 1.249 548 P CA -0.706 62.415 63.100 0.034 0.000 0.810 548 P CB 0.652 32.369 31.700 0.030 0.000 1.008 549 R N 1.401 121.927 120.500 0.043 0.000 2.623 549 R HA 0.121 4.461 4.340 -0.000 0.000 0.271 549 R C -0.140 176.189 176.300 0.049 0.000 1.043 549 R CA 0.300 56.433 56.100 0.056 0.000 1.083 549 R CB 0.302 30.628 30.300 0.043 0.000 0.974 549 R HN 0.481 nan 8.270 nan 0.000 0.436 550 E N 2.346 122.585 120.200 0.065 0.000 2.266 550 E HA 0.381 4.730 4.350 -0.000 0.000 0.268 550 E C -1.429 175.103 176.600 -0.113 0.000 0.879 550 E CA -0.966 55.447 56.400 0.022 0.000 0.762 550 E CB 2.587 32.377 29.700 0.150 0.000 1.199 550 E HN 0.239 nan 8.360 nan 0.000 0.422 551 V N 1.626 121.396 119.914 -0.239 0.000 2.686 551 V HA 0.811 4.931 4.120 -0.000 0.000 0.306 551 V C 0.237 176.024 176.094 -0.511 0.000 1.065 551 V CA -0.384 61.679 62.300 -0.396 0.000 0.894 551 V CB 1.584 33.264 31.823 -0.239 0.000 1.004 551 V HN 0.911 nan 8.190 nan 0.000 0.424 552 G N 3.569 111.926 108.800 -0.739 0.000 2.562 552 G HA2 0.699 4.658 3.960 -0.000 0.000 0.190 552 G HA3 0.699 4.658 3.960 -0.000 0.000 0.190 552 G C -1.788 173.011 174.900 -0.168 0.000 1.196 552 G CA 0.080 44.957 45.100 -0.372 0.000 0.986 552 G HN 1.205 nan 8.290 nan 0.000 0.512 553 L N -2.968 118.308 121.223 0.088 0.000 2.479 553 L HA 0.926 5.266 4.340 -0.000 0.000 0.255 553 L C -1.691 175.161 176.870 -0.029 0.000 1.026 553 L CA -1.108 53.832 54.840 0.168 0.000 0.842 553 L CB 1.631 43.842 42.059 0.252 0.000 1.444 553 L HN 0.378 nan 8.230 nan 0.000 0.409 554 F N 1.352 121.500 119.950 0.331 0.000 2.426 554 F HA 0.519 5.045 4.527 -0.000 0.000 0.348 554 F C -0.683 175.263 175.800 0.242 0.000 1.124 554 F CA -0.361 57.736 58.000 0.163 0.000 1.008 554 F CB 1.582 40.553 39.000 -0.048 0.000 1.139 554 F HN 0.497 nan 8.300 nan 0.000 0.452 555 Y N 4.447 124.838 120.300 0.153 0.000 2.341 555 Y HA 0.482 5.032 4.550 -0.000 0.000 0.340 555 Y C -1.465 174.385 175.900 -0.083 0.000 0.997 555 Y CA -2.035 56.100 58.100 0.059 0.000 1.149 555 Y CB 0.395 38.855 38.460 -0.001 0.000 1.171 555 Y HN 0.449 nan 8.280 nan 0.000 0.494 556 F N 9.356 129.012 119.950 -0.490 0.000 2.293 556 F HA 0.348 4.874 4.527 -0.000 0.000 0.370 556 F C -1.678 173.545 175.800 -0.962 0.000 1.090 556 F CA -1.981 55.605 58.000 -0.691 0.000 1.133 556 F CB 1.178 39.670 39.000 -0.847 0.000 1.360 556 F HN 0.470 nan 8.300 nan 0.000 0.489 557 P HA -0.118 nan 4.420 nan 0.000 0.217 557 P C -0.036 177.094 177.300 -0.282 0.000 1.151 557 P CA 1.292 63.926 63.100 -0.776 0.000 0.828 557 P CB 0.339 31.684 31.700 -0.590 0.000 0.788 558 D N -1.440 118.848 120.400 -0.188 0.000 2.364 558 D HA 0.372 5.012 4.640 -0.000 0.000 0.251 558 D C 0.660 176.976 176.300 0.027 0.000 1.282 558 D CA -0.669 53.325 54.000 -0.010 0.000 0.927 558 D CB 0.244 41.060 40.800 0.027 0.000 1.267 558 D HN -0.147 nan 8.370 nan 0.000 0.531 559 A N 2.373 125.177 122.820 -0.026 0.000 2.119 559 A HA 0.026 4.346 4.320 -0.000 0.000 0.217 559 A C 1.299 178.919 177.584 0.061 0.000 1.153 559 A CA 0.701 52.667 52.037 -0.118 0.000 0.692 559 A CB -0.466 18.164 19.000 -0.616 0.000 0.799 559 A HN 0.496 nan 8.150 nan 0.000 0.458 560 F N -0.158 119.936 119.950 0.239 0.000 2.123 560 F HA 0.014 4.541 4.527 -0.000 0.000 0.289 560 F C 2.189 178.083 175.800 0.156 0.000 1.099 560 F CA 1.738 59.949 58.000 0.352 0.000 1.234 560 F CB -0.612 38.595 39.000 0.345 0.000 1.034 560 F HN 0.185 nan 8.300 nan 0.000 0.479 561 N N -1.055 117.815 118.700 0.284 0.000 2.300 561 N HA -0.041 4.698 4.740 -0.000 0.000 0.179 561 N C -0.160 175.384 175.510 0.056 0.000 1.016 561 N CA 1.074 54.200 53.050 0.126 0.000 0.876 561 N CB 0.066 38.617 38.487 0.107 0.000 0.979 561 N HN -0.018 nan 8.380 nan 0.000 0.432 562 S N 0.651 116.389 115.700 0.063 0.000 2.128 562 S HA 0.206 4.676 4.470 -0.000 0.000 0.157 562 S C -2.143 172.499 174.600 0.070 0.000 1.650 562 S CA -0.967 57.252 58.200 0.032 0.000 1.269 562 S CB 1.288 64.485 63.200 -0.005 0.000 1.227 562 S HN 0.157 nan 8.310 nan 0.000 0.405 563 P HA -0.133 nan 4.420 nan 0.000 0.221 563 P C 1.194 178.671 177.300 0.294 0.000 1.145 563 P CA 1.113 64.319 63.100 0.176 0.000 0.795 563 P CB -0.065 31.724 31.700 0.148 0.000 0.775 564 S N -2.389 113.418 115.700 0.179 0.000 2.548 564 S HA 0.017 4.487 4.470 -0.000 0.000 0.215 564 S C 0.914 175.541 174.600 0.046 0.000 0.976 564 S CA -0.494 57.809 58.200 0.173 0.000 0.908 564 S CB -0.713 62.528 63.200 0.068 0.000 0.781 564 S HN 0.139 nan 8.310 nan 0.000 0.519 565 N N 0.932 119.615 118.700 -0.028 0.000 2.426 565 N HA 0.357 5.096 4.740 -0.000 0.000 0.257 565 N C -1.432 173.839 175.510 -0.398 0.000 1.002 565 N CA -0.511 52.384 53.050 -0.258 0.000 0.942 565 N CB 0.831 39.209 38.487 -0.182 0.000 1.112 565 N HN 0.502 nan 8.380 nan 0.000 0.499 566 Y N 0.453 120.448 120.300 -0.509 0.000 2.588 566 Y HA 0.660 5.210 4.550 -0.000 0.000 0.343 566 Y C -1.400 174.291 175.900 -0.349 0.000 1.065 566 Y CA -1.220 56.420 58.100 -0.766 0.000 1.038 566 Y CB 1.055 38.638 38.460 -1.460 0.000 1.297 566 Y HN 0.053 nan 8.280 nan 0.000 0.467 567 V N 2.963 122.894 119.914 0.028 0.000 2.588 567 V HA 0.564 4.684 4.120 -0.000 0.000 0.304 567 V C -0.809 175.473 176.094 0.313 0.000 1.042 567 V CA -0.939 61.445 62.300 0.140 0.000 0.877 567 V CB 1.658 33.520 31.823 0.065 0.000 0.996 567 V HN 0.994 nan 8.190 nan 0.000 0.425 568 R N 6.418 127.108 120.500 0.316 0.000 2.357 568 R HA 0.579 4.919 4.340 -0.000 0.000 0.296 568 R C -0.847 175.534 176.300 0.135 0.000 1.052 568 R CA -0.524 55.688 56.100 0.186 0.000 0.988 568 R CB 0.697 31.128 30.300 0.219 0.000 1.025 568 R HN 0.746 nan 8.270 nan 0.000 0.469 569 R N 3.987 124.561 120.500 0.125 0.000 2.574 569 R HA 0.226 4.565 4.340 -0.000 0.000 0.288 569 R C -0.979 175.462 176.300 0.235 0.000 1.004 569 R CA -0.838 55.374 56.100 0.187 0.000 0.895 569 R CB 2.429 32.841 30.300 0.187 0.000 1.191 569 R HN 0.714 nan 8.270 nan 0.000 0.444 570 Q N 1.973 121.914 119.800 0.235 0.000 2.301 570 Q HA 0.506 4.846 4.340 -0.000 0.000 0.267 570 Q C 0.521 176.587 176.000 0.110 0.000 1.035 570 Q CA -0.895 54.981 55.803 0.121 0.000 0.856 570 Q CB 2.564 31.350 28.738 0.079 0.000 1.337 570 Q HN 0.584 nan 8.270 nan 0.000 0.450 571 I N -1.772 118.619 120.570 -0.300 0.000 3.138 571 I HA 0.371 4.540 4.170 -0.000 0.000 0.288 571 I C -2.243 173.690 176.117 -0.307 0.000 1.148 571 I CA -2.287 58.529 61.300 -0.806 0.000 1.315 571 I CB 0.025 37.316 38.000 -1.181 0.000 1.426 571 I HN 0.311 nan 8.210 nan 0.000 0.615 572 P HA -0.000 nan 4.420 nan 0.000 0.266 572 P C 0.543 177.880 177.300 0.062 0.000 1.195 572 P CA 0.044 63.190 63.100 0.076 0.000 0.768 572 P CB 0.820 32.669 31.700 0.247 0.000 0.838 573 S N 2.394 118.117 115.700 0.039 0.000 2.442 573 S HA -0.227 4.243 4.470 -0.000 0.000 0.236 573 S C 1.595 176.173 174.600 -0.036 0.000 1.007 573 S CA 1.288 59.490 58.200 0.004 0.000 0.965 573 S CB -0.914 62.292 63.200 0.009 0.000 0.773 573 S HN 0.663 nan 8.310 nan 0.000 0.504 574 E N -0.141 120.006 120.200 -0.088 0.000 2.268 574 E HA -0.174 4.175 4.350 -0.000 0.000 0.195 574 E C 1.082 177.477 176.600 -0.342 0.000 0.995 574 E CA 0.969 57.222 56.400 -0.244 0.000 0.836 574 E CB -0.462 29.027 29.700 -0.353 0.000 0.763 574 E HN 0.750 nan 8.360 nan 0.000 0.491 575 Y N 0.915 121.206 120.300 -0.014 0.000 2.457 575 Y HA 0.229 4.779 4.550 -0.000 0.000 0.263 575 Y C 1.499 177.366 175.900 -0.056 0.000 1.164 575 Y CA 0.166 58.264 58.100 -0.003 0.000 1.274 575 Y CB 0.465 38.977 38.460 0.087 0.000 1.097 575 Y HN 0.096 nan 8.280 nan 0.000 0.523 576 E N 0.341 120.559 120.200 0.029 0.000 2.112 576 E HA -0.030 4.319 4.350 -0.000 0.000 0.190 576 E C -1.691 174.903 176.600 -0.010 0.000 0.979 576 E CA -0.134 56.257 56.400 -0.015 0.000 0.814 576 E CB -1.048 28.635 29.700 -0.028 0.000 0.762 576 E HN 0.246 nan 8.360 nan 0.000 0.460 577 P HA -0.046 nan 4.420 nan 0.000 0.266 577 P C -0.732 176.561 177.300 -0.012 0.000 1.195 577 P CA 0.699 63.790 63.100 -0.015 0.000 0.768 577 P CB 0.325 32.008 31.700 -0.029 0.000 0.838 578 D N -1.012 119.380 120.400 -0.012 0.000 2.945 578 D HA -0.185 4.455 4.640 -0.000 0.000 0.225 578 D C -0.089 176.196 176.300 -0.024 0.000 1.158 578 D CA 1.443 55.432 54.000 -0.017 0.000 0.805 578 D CB -1.338 39.446 40.800 -0.026 0.000 1.098 578 D HN 0.511 nan 8.370 nan 0.000 0.426 579 A N -0.140 122.659 122.820 -0.036 0.000 2.413 579 A HA 0.821 5.141 4.320 -0.000 0.000 0.307 579 A C 0.218 177.709 177.584 -0.156 0.000 1.087 579 A CA 0.362 52.361 52.037 -0.062 0.000 0.750 579 A CB 2.308 21.293 19.000 -0.026 0.000 1.296 579 A HN 0.434 nan 8.150 nan 0.000 0.423 580 S N 0.265 115.819 115.700 -0.244 0.000 2.672 580 S HA 0.585 5.055 4.470 -0.000 0.000 0.271 580 S C -0.786 173.596 174.600 -0.364 0.000 1.171 580 S CA -0.269 57.589 58.200 -0.571 0.000 0.817 580 S CB 0.264 62.883 63.200 -0.967 0.000 1.150 580 S HN 1.041 nan 8.310 nan 0.000 0.478 581 E N 1.103 121.062 120.200 -0.402 0.000 2.202 581 E HA -0.127 4.222 4.350 -0.000 0.000 0.169 581 E C -2.369 174.141 176.600 -0.150 0.000 1.536 581 E CA 0.573 56.730 56.400 -0.403 0.000 0.664 581 E CB -1.422 27.882 29.700 -0.660 0.000 1.064 581 E HN 0.514 nan 8.360 nan 0.000 0.327 582 P HA -0.008 nan 4.420 nan 0.000 0.271 582 P C -0.082 177.520 177.300 0.504 0.000 1.216 582 P CA -0.189 63.063 63.100 0.253 0.000 0.771 582 P CB 0.787 32.584 31.700 0.162 0.000 0.864 583 C N 4.930 124.534 119.300 0.506 0.000 2.330 583 C HA 0.627 5.087 4.460 -0.000 0.000 0.344 583 C C 0.922 176.261 174.990 0.582 0.000 1.273 583 C CA -0.310 59.032 59.018 0.539 0.000 1.879 583 C CB -0.798 27.305 27.740 0.605 0.000 2.376 583 C HN 0.484 nan 8.230 nan 0.000 0.534 584 I N 0.736 121.572 120.570 0.444 0.000 2.608 584 I HA 0.885 5.054 4.170 -0.000 0.000 0.295 584 I C -0.735 175.590 176.117 0.347 0.000 1.049 584 I CA -0.652 60.929 61.300 0.467 0.000 1.063 584 I CB 1.666 39.892 38.000 0.376 0.000 1.248 584 I HN 0.360 nan 8.210 nan 0.000 0.424 585 K N 3.492 124.173 120.400 0.468 0.000 2.532 585 K HA 0.530 4.850 4.320 -0.000 0.000 0.265 585 K C -2.110 174.735 176.600 0.409 0.000 0.948 585 K CA -0.669 55.789 56.287 0.286 0.000 0.842 585 K CB 2.285 34.846 32.500 0.102 0.000 1.392 585 K HN 0.622 nan 8.250 nan 0.000 0.436 586 Y N 2.247 122.516 120.300 -0.053 0.000 2.331 586 Y HA 0.529 5.079 4.550 -0.000 0.000 0.334 586 Y C -1.738 174.043 175.900 -0.198 0.000 0.960 586 Y CA -0.463 57.632 58.100 -0.009 0.000 1.130 586 Y CB 0.954 39.407 38.460 -0.011 0.000 1.164 586 Y HN 0.572 nan 8.280 nan 0.000 0.458 587 Y N 4.046 124.320 120.300 -0.043 0.000 2.421 587 Y HA 0.233 4.783 4.550 -0.000 0.000 0.339 587 Y C -0.194 175.593 175.900 -0.188 0.000 0.996 587 Y CA -1.468 56.629 58.100 -0.004 0.000 1.046 587 Y CB 1.616 40.200 38.460 0.206 0.000 1.226 587 Y HN 0.662 nan 8.280 nan 0.000 0.445 588 D N 3.167 123.570 120.400 0.004 0.000 2.704 588 D HA -0.212 4.428 4.640 -0.000 0.000 0.232 588 D C 1.204 177.393 176.300 -0.184 0.000 1.183 588 D CA 1.748 55.727 54.000 -0.036 0.000 0.647 588 D CB -0.684 40.148 40.800 0.053 0.000 1.013 588 D HN 1.188 nan 8.370 nan 0.000 0.415 589 G N -1.560 106.983 108.800 -0.429 0.000 2.168 589 G HA2 -0.327 3.632 3.960 -0.000 0.000 0.263 589 G HA3 -0.327 3.632 3.960 -0.000 0.000 0.263 589 G C 0.355 174.998 174.900 -0.428 0.000 0.977 589 G CA 0.439 45.323 45.100 -0.360 0.000 0.659 589 G HN 0.567 nan 8.290 nan 0.000 0.533 590 V N 0.837 120.405 119.914 -0.577 0.000 2.448 590 V HA 0.685 4.804 4.120 -0.000 0.000 0.295 590 V C 0.090 175.925 176.094 -0.432 0.000 1.025 590 V CA -0.964 61.065 62.300 -0.451 0.000 0.859 590 V CB 1.767 33.328 31.823 -0.438 0.000 0.988 590 V HN 0.405 nan 8.190 nan 0.000 0.431 591 L N 6.309 127.413 121.223 -0.199 0.000 2.264 591 L HA 0.567 4.907 4.340 -0.000 0.000 0.289 591 L C -1.044 175.843 176.870 0.028 0.000 1.044 591 L CA 0.123 55.020 54.840 0.095 0.000 0.807 591 L CB 0.420 42.571 42.059 0.154 0.000 1.192 591 L HN 0.538 nan 8.230 nan 0.000 0.425 592 Y N 5.451 126.043 120.300 0.487 0.000 2.360 592 Y HA 0.639 5.189 4.550 -0.000 0.000 0.337 592 Y C -0.297 175.978 175.900 0.626 0.000 1.039 592 Y CA -0.547 57.892 58.100 0.564 0.000 1.109 592 Y CB 1.726 40.548 38.460 0.604 0.000 1.201 592 Y HN 0.550 nan 8.280 nan 0.000 0.458 593 L N 4.961 126.592 121.223 0.679 0.000 2.438 593 L HA 0.683 5.023 4.340 -0.000 0.000 0.270 593 L C -1.688 175.411 176.870 0.381 0.000 0.972 593 L CA -0.457 54.685 54.840 0.502 0.000 0.831 593 L CB 1.202 43.438 42.059 0.294 0.000 1.273 593 L HN 0.624 nan 8.230 nan 0.000 0.405 594 I N 3.559 124.341 120.570 0.354 0.000 2.465 594 I HA 0.401 4.571 4.170 -0.000 0.000 0.291 594 I C 0.164 176.434 176.117 0.254 0.000 1.014 594 I CA -0.565 60.903 61.300 0.280 0.000 1.093 594 I CB 2.306 40.430 38.000 0.206 0.000 1.267 594 I HN 0.591 nan 8.210 nan 0.000 0.431 595 T N 2.598 117.272 114.554 0.201 0.000 2.918 595 T HA 0.406 4.755 4.350 -0.000 0.000 0.283 595 T C -0.003 174.738 174.700 0.069 0.000 1.001 595 T CA -0.875 61.291 62.100 0.111 0.000 1.041 595 T CB 1.975 70.889 68.868 0.077 0.000 1.028 595 T HN 0.507 nan 8.240 nan 0.000 0.511 596 R N 0.548 121.051 120.500 0.005 0.000 2.308 596 R HA 0.457 4.797 4.340 -0.000 0.000 0.305 596 R C 0.444 176.721 176.300 -0.039 0.000 1.053 596 R CA -0.353 55.729 56.100 -0.031 0.000 0.957 596 R CB 0.532 30.798 30.300 -0.057 0.000 1.022 596 R HN 0.954 nan 8.270 nan 0.000 0.461 597 G N 0.972 109.745 108.800 -0.045 0.000 2.395 597 G HA2 0.119 4.078 3.960 -0.000 0.000 0.283 597 G HA3 0.119 4.078 3.960 -0.000 0.000 0.283 597 G C 0.958 175.860 174.900 0.004 0.000 1.178 597 G CA -0.399 44.683 45.100 -0.031 0.000 0.837 597 G HN 0.739 nan 8.290 nan 0.000 0.518 598 T N -1.365 113.193 114.554 0.007 0.000 3.057 598 T HA 0.181 4.530 4.350 -0.000 0.000 0.254 598 T C 0.862 175.611 174.700 0.082 0.000 1.094 598 T CA 0.000 62.148 62.100 0.080 0.000 1.088 598 T CB -0.018 68.871 68.868 0.036 0.000 0.934 598 T HN 0.710 nan 8.240 nan 0.000 0.497 599 R N -0.516 119.934 120.500 -0.084 0.000 2.668 599 R HA 0.640 4.980 4.340 -0.000 0.000 0.272 599 R C 0.880 176.847 176.300 -0.555 0.000 1.019 599 R CA -0.804 55.151 56.100 -0.242 0.000 0.894 599 R CB 0.982 31.217 30.300 -0.110 0.000 1.228 599 R HN -0.027 nan 8.270 nan 0.000 0.460 600 G N 0.676 108.875 108.800 -1.002 0.000 2.598 600 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.215 600 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.215 600 G C 0.411 175.019 174.900 -0.486 0.000 1.131 600 G CA 0.765 45.135 45.100 -1.217 0.000 0.785 600 G HN 0.810 nan 8.290 nan 0.000 0.539 601 D N -0.973 119.240 120.400 -0.312 0.000 2.424 601 D HA 0.129 4.769 4.640 -0.000 0.000 0.220 601 D C 0.686 176.908 176.300 -0.129 0.000 1.150 601 D CA -0.320 53.576 54.000 -0.174 0.000 0.831 601 D CB 0.357 41.084 40.800 -0.122 0.000 0.981 601 D HN 0.078 nan 8.370 nan 0.000 0.500 602 R N 0.025 120.439 120.500 -0.144 0.000 2.740 602 R HA 0.316 4.656 4.340 -0.000 0.000 0.273 602 R C -0.788 175.459 176.300 -0.088 0.000 0.998 602 R CA -1.230 54.812 56.100 -0.096 0.000 0.900 602 R CB 1.464 31.716 30.300 -0.080 0.000 1.223 602 R HN -0.033 nan 8.270 nan 0.000 0.466 603 L N 1.958 123.145 121.223 -0.059 0.000 2.640 603 L HA -0.004 4.336 4.340 -0.000 0.000 0.280 603 L C 1.285 178.145 176.870 -0.016 0.000 1.229 603 L CA 1.084 55.904 54.840 -0.034 0.000 0.919 603 L CB -0.297 41.745 42.059 -0.029 0.000 1.168 603 L HN 0.890 nan 8.230 nan 0.000 0.496 604 G N 2.263 111.062 108.800 -0.001 0.000 2.945 604 G HA2 0.283 4.242 3.960 -0.000 0.000 0.156 604 G HA3 0.283 4.242 3.960 -0.000 0.000 0.156 604 G C -0.267 174.675 174.900 0.072 0.000 1.375 604 G CA -0.449 44.650 45.100 -0.001 0.000 1.039 604 G HN 0.546 nan 8.290 nan 0.000 0.586 605 S N 0.132 115.867 115.700 0.059 0.000 2.563 605 S HA 0.363 4.833 4.470 -0.000 0.000 0.294 605 S C 0.460 175.288 174.600 0.380 0.000 1.279 605 S CA 0.279 58.572 58.200 0.156 0.000 1.069 605 S CB 0.265 63.463 63.200 -0.003 0.000 0.828 605 S HN 0.915 nan 8.310 nan 0.000 0.497 606 S N 3.401 119.269 115.700 0.280 0.000 2.599 606 S HA 0.724 5.194 4.470 -0.000 0.000 0.294 606 S C -0.858 173.680 174.600 -0.104 0.000 1.094 606 S CA -1.013 57.189 58.200 0.003 0.000 0.931 606 S CB 1.205 64.331 63.200 -0.122 0.000 1.093 606 S HN 0.600 nan 8.310 nan 0.000 0.488 607 L N 2.369 123.238 121.223 -0.589 0.000 2.334 607 L HA 0.639 4.978 4.340 -0.000 0.000 0.276 607 L C -1.044 175.448 176.870 -0.630 0.000 1.014 607 L CA -0.536 54.044 54.840 -0.433 0.000 0.815 607 L CB 1.243 42.920 42.059 -0.637 0.000 1.268 607 L HN 0.880 nan 8.230 nan 0.000 0.428 608 H N 3.511 122.691 119.070 0.184 0.000 2.930 608 H HA 0.517 5.073 4.556 -0.000 0.000 0.371 608 H C -1.221 174.456 175.328 0.582 0.000 1.169 608 H CA -0.987 55.251 56.048 0.317 0.000 1.157 608 H CB 2.291 31.962 29.762 -0.152 0.000 1.789 608 H HN 0.556 nan 8.280 nan 0.000 0.547 609 R N 0.152 120.988 120.500 0.561 0.000 2.771 609 R HA 0.695 5.035 4.340 -0.000 0.000 0.274 609 R C -1.151 175.160 176.300 0.018 0.000 0.987 609 R CA -1.029 55.167 56.100 0.161 0.000 0.908 609 R CB 2.134 32.225 30.300 -0.349 0.000 1.213 609 R HN 0.483 nan 8.270 nan 0.000 0.468 610 S N 0.264 115.802 115.700 -0.270 0.000 2.540 610 S HA 0.421 4.891 4.470 -0.000 0.000 0.275 610 S C -0.421 173.966 174.600 -0.354 0.000 1.123 610 S CA -1.017 56.911 58.200 -0.454 0.000 0.907 610 S CB 1.346 63.941 63.200 -1.008 0.000 1.081 610 S HN 0.788 nan 8.310 nan 0.000 0.476 611 R N 1.798 122.125 120.500 -0.287 0.000 2.427 611 R HA 0.223 4.563 4.340 -0.000 0.000 0.262 611 R C -0.656 175.541 176.300 -0.171 0.000 0.943 611 R CA 0.097 56.076 56.100 -0.201 0.000 1.081 611 R CB -0.195 30.006 30.300 -0.164 0.000 1.166 611 R HN 0.668 nan 8.270 nan 0.000 0.534 612 D N -0.187 120.068 120.400 -0.241 0.000 2.740 612 D HA 0.115 4.755 4.640 -0.000 0.000 0.301 612 D C 0.222 176.347 176.300 -0.292 0.000 1.408 612 D CA -0.687 53.181 54.000 -0.219 0.000 0.808 612 D CB -0.388 40.299 40.800 -0.189 0.000 1.128 612 D HN 0.153 nan 8.370 nan 0.000 0.465 613 I N 0.243 120.616 120.570 -0.329 0.000 6.379 613 I HA -0.233 3.937 4.170 -0.000 0.000 0.126 613 I C 1.254 177.123 176.117 -0.414 0.000 1.821 613 I CA 0.637 61.700 61.300 -0.396 0.000 2.063 613 I CB -1.630 36.016 38.000 -0.590 0.000 3.472 613 I HN 0.498 nan 8.210 nan 0.000 0.177 614 G N -0.107 108.273 108.800 -0.698 0.000 2.157 614 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.239 614 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.239 614 G C 0.497 175.090 174.900 -0.512 0.000 0.982 614 G CA 0.456 45.032 45.100 -0.872 0.000 0.650 614 G HN 0.557 nan 8.290 nan 0.000 0.527 615 Q N -0.147 119.414 119.800 -0.398 0.000 2.062 615 Q HA 0.126 4.466 4.340 -0.000 0.000 0.196 615 Q C 1.636 177.526 176.000 -0.183 0.000 0.967 615 Q CA 1.649 57.340 55.803 -0.187 0.000 0.832 615 Q CB 0.110 28.769 28.738 -0.132 0.000 0.899 615 Q HN 0.775 nan 8.270 nan 0.000 0.442 616 T N -2.956 111.408 114.554 -0.318 0.000 2.924 616 T HA 0.548 4.897 4.350 -0.000 0.000 0.291 616 T C -1.307 173.182 174.700 -0.351 0.000 1.045 616 T CA -0.852 61.136 62.100 -0.187 0.000 1.015 616 T CB 1.314 70.138 68.868 -0.073 0.000 1.103 616 T HN 0.180 nan 8.240 nan 0.000 0.496 617 W N -0.190 121.111 121.300 0.002 0.000 3.031 617 W HA 0.652 5.312 4.660 -0.000 0.000 0.337 617 W C -0.283 176.240 176.519 0.006 0.000 1.187 617 W CA -0.781 56.572 57.345 0.012 0.000 1.166 617 W CB 1.871 31.375 29.460 0.073 0.000 1.437 617 W HN 0.807 nan 8.180 nan 0.000 0.551 618 E N 1.201 121.546 120.200 0.241 0.000 2.199 618 E HA 0.655 5.005 4.350 -0.000 0.000 0.269 618 E C -0.953 175.810 176.600 0.272 0.000 0.899 618 E CA -0.343 56.131 56.400 0.123 0.000 0.772 618 E CB 1.633 31.225 29.700 -0.180 0.000 1.155 618 E HN 0.371 nan 8.360 nan 0.000 0.408 619 S N 3.585 119.446 115.700 0.267 0.000 2.599 619 S HA 0.684 5.153 4.470 -0.000 0.000 0.294 619 S C -0.990 173.584 174.600 -0.044 0.000 1.094 619 S CA -0.948 57.250 58.200 -0.003 0.000 0.931 619 S CB 1.536 64.525 63.200 -0.353 0.000 1.093 619 S HN 0.524 nan 8.310 nan 0.000 0.488 620 L N 0.003 120.937 121.223 -0.480 0.000 2.506 620 L HA 0.726 5.065 4.340 -0.000 0.000 0.257 620 L C -1.576 174.957 176.870 -0.561 0.000 0.964 620 L CA -0.778 53.783 54.840 -0.465 0.000 0.836 620 L CB 2.170 43.830 42.059 -0.666 0.000 1.384 620 L HN 0.721 nan 8.230 nan 0.000 0.410 621 R N 1.895 122.208 120.500 -0.312 0.000 2.346 621 R HA 0.613 4.953 4.340 -0.000 0.000 0.311 621 R C -1.112 175.015 176.300 -0.288 0.000 0.983 621 R CA -0.341 55.645 56.100 -0.189 0.000 0.880 621 R CB 1.048 31.358 30.300 0.017 0.000 1.100 621 R HN 0.556 nan 8.270 nan 0.000 0.453 622 F N 6.205 126.095 119.950 -0.100 0.000 2.484 622 F HA 0.221 4.748 4.527 -0.000 0.000 0.360 622 F C -1.254 174.508 175.800 -0.064 0.000 1.101 622 F CA -1.364 56.601 58.000 -0.058 0.000 1.251 622 F CB 0.405 39.443 39.000 0.063 0.000 1.132 622 F HN 0.424 nan 8.300 nan 0.000 0.570 623 P HA -0.026 nan 4.420 nan 0.000 0.269 623 P C -0.580 176.675 177.300 -0.074 0.000 1.215 623 P CA 0.193 63.190 63.100 -0.171 0.000 0.780 623 P CB 0.381 31.877 31.700 -0.341 0.000 0.898 624 H N -0.275 118.819 119.070 0.040 0.000 2.886 624 H HA -0.155 4.400 4.556 -0.000 0.000 0.294 624 H C -0.169 175.126 175.328 -0.056 0.000 1.246 624 H CA 0.713 56.762 56.048 0.001 0.000 1.142 624 H CB -2.733 27.047 29.762 0.030 0.000 1.358 624 H HN 0.722 nan 8.280 nan 0.000 0.406 625 N N -1.491 117.218 118.700 0.015 0.000 2.667 625 N HA -0.167 4.573 4.740 -0.000 0.000 0.263 625 N C -0.110 175.347 175.510 -0.088 0.000 1.038 625 N CA 0.387 53.403 53.050 -0.056 0.000 0.749 625 N CB -0.453 37.958 38.487 -0.127 0.000 0.892 625 N HN 0.148 nan 8.380 nan 0.000 0.546 626 V N 2.133 121.944 119.914 -0.172 0.000 2.540 626 V HA 0.031 4.150 4.120 -0.000 0.000 0.297 626 V C 0.877 176.748 176.094 -0.372 0.000 1.024 626 V CA 0.439 62.437 62.300 -0.504 0.000 1.105 626 V CB 0.081 31.546 31.823 -0.598 0.000 0.938 626 V HN 0.502 nan 8.190 nan 0.000 0.482 627 H N 2.805 121.476 119.070 -0.665 0.000 3.008 627 H HA 0.427 4.983 4.556 -0.000 0.000 0.354 627 H C 0.308 175.408 175.328 -0.380 0.000 1.252 627 H CA -0.457 55.300 56.048 -0.485 0.000 1.117 627 H CB 0.989 30.412 29.762 -0.564 0.000 1.857 627 H HN 0.749 nan 8.280 nan 0.000 0.547 628 H N -1.568 117.411 119.070 -0.150 0.000 3.898 628 H HA -0.174 4.381 4.556 -0.000 0.000 0.171 628 H C -0.178 175.100 175.328 -0.083 0.000 0.920 628 H CA 1.411 57.394 56.048 -0.108 0.000 1.238 628 H CB -0.761 28.929 29.762 -0.120 0.000 0.997 628 H HN 0.830 nan 8.280 nan 0.000 0.380 629 T N 0.978 115.511 114.554 -0.035 0.000 2.887 629 T HA 0.439 4.789 4.350 -0.000 0.000 0.288 629 T C 0.375 175.103 174.700 0.046 0.000 1.021 629 T CA 0.009 62.131 62.100 0.036 0.000 1.000 629 T CB 1.508 70.401 68.868 0.041 0.000 1.034 629 T HN 0.326 nan 8.240 nan 0.000 0.467 630 T N 2.385 117.032 114.554 0.155 0.000 2.849 630 T HA 0.573 4.922 4.350 -0.000 0.000 0.284 630 T C 0.178 175.014 174.700 0.228 0.000 1.004 630 T CA -0.794 61.425 62.100 0.198 0.000 1.021 630 T CB 0.377 69.436 68.868 0.318 0.000 1.013 630 T HN 0.506 nan 8.240 nan 0.000 0.527 631 L N 1.933 123.314 121.223 0.263 0.000 2.495 631 L HA 0.355 4.695 4.340 -0.000 0.000 0.248 631 L C -2.402 174.757 176.870 0.481 0.000 1.229 631 L CA -2.143 52.869 54.840 0.286 0.000 0.942 631 L CB 1.074 43.218 42.059 0.142 0.000 1.242 631 L HN 0.468 nan 8.230 nan 0.000 0.484 632 P HA 0.285 nan 4.420 nan 0.000 0.272 632 P C -0.831 176.841 177.300 0.621 0.000 1.223 632 P CA 0.141 63.559 63.100 0.531 0.000 0.784 632 P CB 0.804 32.769 31.700 0.441 0.000 0.923 633 F N -1.404 118.758 119.950 0.353 0.000 2.741 633 F HA 0.828 5.355 4.527 -0.000 0.000 0.313 633 F C -1.867 174.138 175.800 0.341 0.000 1.153 633 F CA -1.400 56.804 58.000 0.341 0.000 0.931 633 F CB 0.719 39.879 39.000 0.266 0.000 1.335 633 F HN 0.492 nan 8.300 nan 0.000 0.460 634 A N 1.265 124.293 122.820 0.347 0.000 2.527 634 A HA 0.731 5.050 4.320 -0.000 0.000 0.293 634 A C -1.702 175.998 177.584 0.194 0.000 1.117 634 A CA -1.103 51.094 52.037 0.266 0.000 0.723 634 A CB 2.002 21.162 19.000 0.266 0.000 1.313 634 A HN 0.884 nan 8.150 nan 0.000 0.411 635 K N 1.074 121.343 120.400 -0.218 0.000 2.263 635 K HA 0.583 4.903 4.320 -0.000 0.000 0.272 635 K C -1.575 174.821 176.600 -0.338 0.000 1.033 635 K CA -0.254 55.736 56.287 -0.496 0.000 0.884 635 K CB 0.980 32.776 32.500 -1.174 0.000 1.107 635 K HN 0.410 nan 8.250 nan 0.000 0.460 636 V N 4.828 124.656 119.914 -0.142 0.000 2.376 636 V HA 0.431 4.551 4.120 -0.000 0.000 0.287 636 V C 0.780 176.831 176.094 -0.072 0.000 1.015 636 V CA 0.035 62.290 62.300 -0.075 0.000 0.834 636 V CB 0.437 32.255 31.823 -0.009 0.000 1.001 636 V HN 1.172 nan 8.190 nan 0.000 0.428 637 G N 5.023 113.784 108.800 -0.065 0.000 2.574 637 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.286 637 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.286 637 G C 0.393 175.259 174.900 -0.057 0.000 1.212 637 G CA 0.603 45.676 45.100 -0.046 0.000 0.979 637 G HN 0.612 nan 8.290 nan 0.000 0.557 638 D N 1.770 122.147 120.400 -0.038 0.000 2.349 638 D HA 0.207 4.847 4.640 -0.000 0.000 0.224 638 D C 0.267 176.541 176.300 -0.043 0.000 1.029 638 D CA 0.692 54.675 54.000 -0.027 0.000 0.879 638 D CB -0.014 40.779 40.800 -0.011 0.000 0.906 638 D HN 0.317 nan 8.370 nan 0.000 0.528 639 D N 0.270 120.632 120.400 -0.064 0.000 2.198 639 D HA 0.192 4.832 4.640 -0.000 0.000 0.245 639 D C -0.213 176.036 176.300 -0.086 0.000 1.079 639 D CA -0.565 53.393 54.000 -0.069 0.000 0.854 639 D CB 1.431 42.201 40.800 -0.050 0.000 1.148 639 D HN -0.172 nan 8.370 nan 0.000 0.456 640 L N 3.261 124.425 121.223 -0.098 0.000 2.313 640 L HA 0.320 4.660 4.340 -0.000 0.000 0.282 640 L C -0.109 176.762 176.870 0.002 0.000 1.092 640 L CA 0.041 54.848 54.840 -0.055 0.000 0.831 640 L CB 0.380 42.340 42.059 -0.165 0.000 1.159 640 L HN 0.331 nan 8.230 nan 0.000 0.442 641 I N 5.974 126.617 120.570 0.122 0.000 2.330 641 I HA 0.392 4.562 4.170 -0.000 0.000 0.289 641 I C 0.114 176.382 176.117 0.252 0.000 1.001 641 I CA -0.356 61.026 61.300 0.137 0.000 1.193 641 I CB 0.850 38.963 38.000 0.188 0.000 1.345 641 I HN 0.591 nan 8.210 nan 0.000 0.461 642 M N 4.227 123.887 119.600 0.101 0.000 2.602 642 M HA 0.673 5.152 4.480 -0.000 0.000 0.312 642 M C -1.860 174.433 176.300 -0.012 0.000 1.181 642 M CA -0.531 54.913 55.300 0.239 0.000 0.910 642 M CB 2.637 35.371 32.600 0.223 0.000 1.723 642 M HN 0.187 nan 8.290 nan 0.000 0.459 643 F N -0.069 119.921 119.950 0.065 0.000 2.563 643 F HA 0.902 5.428 4.527 -0.000 0.000 0.316 643 F C 0.341 176.015 175.800 -0.211 0.000 1.076 643 F CA -0.354 57.481 58.000 -0.274 0.000 0.921 643 F CB 2.668 41.008 39.000 -1.099 0.000 1.209 643 F HN 0.867 nan 8.300 nan 0.000 0.462 644 G N 0.183 108.984 108.800 0.002 0.000 2.718 644 G HA2 0.586 4.545 3.960 -0.000 0.000 0.295 644 G HA3 0.586 4.545 3.960 -0.000 0.000 0.295 644 G C -1.913 173.148 174.900 0.268 0.000 1.421 644 G CA -0.869 44.339 45.100 0.179 0.000 0.902 644 G HN 0.541 nan 8.290 nan 0.000 0.501 645 S N 0.257 116.197 115.700 0.399 0.000 2.614 645 S HA 0.418 4.887 4.470 -0.000 0.000 0.288 645 S C -0.195 174.646 174.600 0.401 0.000 1.137 645 S CA -0.884 57.544 58.200 0.381 0.000 0.992 645 S CB 1.635 65.077 63.200 0.404 0.000 1.026 645 S HN 0.914 nan 8.310 nan 0.000 0.486 646 E N 2.756 123.230 120.200 0.456 0.000 2.404 646 E HA 0.211 4.561 4.350 -0.000 0.000 0.261 646 E C 0.356 177.060 176.600 0.174 0.000 1.074 646 E CA -0.638 55.951 56.400 0.316 0.000 0.917 646 E CB 0.602 30.524 29.700 0.370 0.000 0.965 646 E HN 0.299 nan 8.360 nan 0.000 0.433 647 R N 1.197 121.748 120.500 0.085 0.000 2.161 647 R HA 0.185 4.525 4.340 -0.000 0.000 0.213 647 R C 0.321 176.532 176.300 -0.148 0.000 1.055 647 R CA 1.003 57.103 56.100 0.000 0.000 0.996 647 R CB -0.420 29.853 30.300 -0.045 0.000 0.901 647 R HN 0.632 nan 8.270 nan 0.000 0.456 648 A N 0.455 123.176 122.820 -0.166 0.000 2.569 648 A HA 0.382 4.702 4.320 -0.000 0.000 0.290 648 A C -1.035 176.548 177.584 -0.002 0.000 1.136 648 A CA -0.708 51.201 52.037 -0.214 0.000 0.710 648 A CB 1.381 20.048 19.000 -0.555 0.000 1.303 648 A HN 0.106 nan 8.150 nan 0.000 0.413 649 E N 0.381 120.619 120.200 0.064 0.000 2.414 649 E HA 0.158 4.508 4.350 -0.000 0.000 0.263 649 E C -0.259 176.415 176.600 0.124 0.000 1.000 649 E CA 0.767 57.242 56.400 0.125 0.000 0.914 649 E CB -0.188 29.610 29.700 0.163 0.000 0.948 649 E HN 0.634 nan 8.360 nan 0.000 0.444 650 N N 3.001 121.798 118.700 0.161 0.000 2.780 650 N HA -0.182 4.558 4.740 -0.000 0.000 0.248 650 N C -0.335 175.264 175.510 0.149 0.000 1.102 650 N CA 0.743 53.889 53.050 0.161 0.000 0.697 650 N CB -0.521 38.044 38.487 0.129 0.000 1.028 650 N HN 0.617 nan 8.380 nan 0.000 0.554 651 E N -1.079 119.220 120.200 0.164 0.000 2.489 651 E HA -0.002 4.348 4.350 -0.000 0.000 0.204 651 E C 1.120 177.777 176.600 0.095 0.000 1.006 651 E CA -0.345 56.141 56.400 0.143 0.000 0.936 651 E CB 0.147 29.919 29.700 0.120 0.000 1.002 651 E HN 0.457 nan 8.360 nan 0.000 0.488 652 W N 2.745 124.000 121.300 -0.075 0.000 2.379 652 W HA -0.087 4.573 4.660 -0.000 0.000 0.307 652 W C 0.080 176.513 176.519 -0.144 0.000 1.200 652 W CA 1.165 58.372 57.345 -0.230 0.000 1.297 652 W CB 0.184 29.515 29.460 -0.214 0.000 1.140 652 W HN -0.082 nan 8.180 nan 0.000 0.507 653 E N 0.565 120.867 120.200 0.169 0.000 2.404 653 E HA 0.252 4.602 4.350 -0.000 0.000 0.261 653 E C 0.253 176.878 176.600 0.042 0.000 1.074 653 E CA 0.078 56.529 56.400 0.085 0.000 0.917 653 E CB 0.513 30.252 29.700 0.064 0.000 0.965 653 E HN 0.085 nan 8.360 nan 0.000 0.433 654 A N 1.981 124.795 122.820 -0.011 0.000 2.567 654 A HA 0.371 4.690 4.320 -0.000 0.000 0.240 654 A C 1.398 178.943 177.584 -0.064 0.000 1.053 654 A CA 0.627 52.635 52.037 -0.048 0.000 0.755 654 A CB -0.816 18.197 19.000 0.021 0.000 0.978 654 A HN 0.915 nan 8.150 nan 0.000 0.507 655 G N 0.882 109.611 108.800 -0.119 0.000 2.179 655 G HA2 0.116 4.076 3.960 -0.000 0.000 0.260 655 G HA3 0.116 4.076 3.960 -0.000 0.000 0.260 655 G C 0.579 175.446 174.900 -0.054 0.000 0.977 655 G CA 0.494 45.542 45.100 -0.087 0.000 0.641 655 G HN 2.269 nan 8.290 nan 0.000 0.533 656 A N 1.652 124.455 122.820 -0.029 0.000 2.404 656 A HA 0.645 4.965 4.320 -0.000 0.000 0.273 656 A C -0.969 176.633 177.584 0.031 0.000 1.144 656 A CA -0.506 51.546 52.037 0.025 0.000 0.806 656 A CB 0.324 19.372 19.000 0.080 0.000 1.080 656 A HN 0.309 nan 8.150 nan 0.000 0.509 657 P HA 0.178 nan 4.420 nan 0.000 0.275 657 P C -0.776 176.574 177.300 0.082 0.000 1.228 657 P CA -0.424 62.703 63.100 0.045 0.000 0.786 657 P CB 0.587 32.311 31.700 0.039 0.000 0.927 658 D N 1.174 121.635 120.400 0.102 0.000 2.506 658 D HA 0.033 4.673 4.640 -0.000 0.000 0.234 658 D C 0.023 176.361 176.300 0.064 0.000 1.143 658 D CA 1.090 55.147 54.000 0.096 0.000 0.871 658 D CB 0.069 40.918 40.800 0.081 0.000 1.190 658 D HN 0.327 nan 8.370 nan 0.000 0.459 659 D N 1.411 121.831 120.400 0.033 0.000 2.468 659 D HA 0.129 4.769 4.640 -0.000 0.000 0.272 659 D C -0.486 175.830 176.300 0.028 0.000 1.221 659 D CA -0.588 53.444 54.000 0.053 0.000 0.860 659 D CB 0.229 41.069 40.800 0.067 0.000 1.190 659 D HN 0.051 nan 8.370 nan 0.000 0.509 660 R N 0.911 121.441 120.500 0.049 0.000 2.705 660 R HA 0.402 4.742 4.340 -0.000 0.000 0.246 660 R C 0.265 176.717 176.300 0.254 0.000 1.142 660 R CA -0.668 55.450 56.100 0.029 0.000 1.114 660 R CB 0.047 30.213 30.300 -0.225 0.000 1.256 660 R HN 0.453 nan 8.270 nan 0.000 0.536 661 Y N -1.500 118.980 120.300 0.300 0.000 4.668 661 Y HA -0.344 4.205 4.550 -0.000 0.000 0.234 661 Y C -0.121 175.867 175.900 0.148 0.000 1.056 661 Y CA 1.294 59.506 58.100 0.187 0.000 2.025 661 Y CB -1.636 36.891 38.460 0.111 0.000 1.613 661 Y HN 0.540 nan 8.280 nan 0.000 0.653 662 K N -0.602 119.982 120.400 0.308 0.000 2.525 662 K HA 0.882 5.202 4.320 -0.000 0.000 0.254 662 K C -0.514 176.197 176.600 0.185 0.000 0.934 662 K CA -0.506 55.901 56.287 0.201 0.000 0.802 662 K CB 1.963 34.566 32.500 0.171 0.000 1.295 662 K HN 0.166 nan 8.250 nan 0.000 0.433 663 A N 1.946 124.811 122.820 0.076 0.000 2.546 663 A HA 0.416 4.736 4.320 -0.000 0.000 0.243 663 A C 0.026 177.679 177.584 0.115 0.000 1.063 663 A CA 0.610 52.668 52.037 0.035 0.000 0.757 663 A CB -0.506 18.511 19.000 0.027 0.000 0.991 663 A HN 0.969 nan 8.150 nan 0.000 0.503 664 S N 1.126 116.886 115.700 0.100 0.000 2.705 664 S HA 0.676 5.145 4.470 -0.000 0.000 0.280 664 S C -1.170 173.386 174.600 -0.074 0.000 1.174 664 S CA -0.650 57.625 58.200 0.126 0.000 0.823 664 S CB 0.782 64.107 63.200 0.207 0.000 1.162 664 S HN 0.532 nan 8.310 nan 0.000 0.487 665 Y N 1.786 122.148 120.300 0.104 0.000 2.919 665 Y HA 0.439 4.989 4.550 -0.000 0.000 0.341 665 Y C -2.505 173.425 175.900 0.049 0.000 1.045 665 Y CA -2.033 56.101 58.100 0.057 0.000 1.218 665 Y CB 1.183 39.666 38.460 0.037 0.000 1.137 665 Y HN 0.430 nan 8.280 nan 0.000 0.577 666 P HA 0.108 nan 4.420 nan 0.000 0.271 666 P C -0.488 176.854 177.300 0.069 0.000 1.216 666 P CA -0.199 62.968 63.100 0.111 0.000 0.776 666 P CB 0.987 32.743 31.700 0.094 0.000 0.881 667 R N 1.099 121.608 120.500 0.016 0.000 2.357 667 R HA 0.458 4.797 4.340 -0.000 0.000 0.296 667 R C 0.349 176.440 176.300 -0.348 0.000 1.052 667 R CA -0.175 55.776 56.100 -0.249 0.000 0.988 667 R CB 0.384 30.402 30.300 -0.469 0.000 1.025 667 R HN 0.386 nan 8.270 nan 0.000 0.469 668 T N 3.442 117.748 114.554 -0.413 0.000 2.824 668 T HA 0.516 4.866 4.350 -0.000 0.000 0.280 668 T C -0.848 173.483 174.700 -0.614 0.000 0.995 668 T CA -0.298 61.621 62.100 -0.301 0.000 1.009 668 T CB 0.459 69.319 68.868 -0.014 0.000 0.955 668 T HN 0.238 nan 8.240 nan 0.000 0.452 669 F N 2.175 121.932 119.950 -0.322 0.000 2.593 669 F HA 0.663 5.189 4.527 -0.000 0.000 0.320 669 F C -0.364 175.327 175.800 -0.181 0.000 1.060 669 F CA -1.207 56.593 58.000 -0.333 0.000 0.940 669 F CB 1.558 40.158 39.000 -0.666 0.000 1.268 669 F HN 0.602 nan 8.300 nan 0.000 0.475 670 Y N 0.635 120.860 120.300 -0.125 0.000 2.605 670 Y HA 0.935 5.485 4.550 -0.000 0.000 0.343 670 Y C -1.518 174.255 175.900 -0.212 0.000 1.036 670 Y CA -1.722 56.126 58.100 -0.420 0.000 1.065 670 Y CB 1.546 39.357 38.460 -1.083 0.000 1.288 670 Y HN 0.829 nan 8.280 nan 0.000 0.481 671 A N 3.034 125.453 122.820 -0.668 0.000 2.572 671 A HA 0.809 5.128 4.320 -0.000 0.000 0.295 671 A C -1.535 175.722 177.584 -0.544 0.000 1.072 671 A CA -1.231 50.289 52.037 -0.862 0.000 0.691 671 A CB 1.682 19.912 19.000 -1.283 0.000 1.291 671 A HN 0.842 nan 8.150 nan 0.000 0.404 672 R N 0.211 120.419 120.500 -0.486 0.000 2.514 672 R HA 0.706 5.046 4.340 -0.000 0.000 0.301 672 R C -1.425 174.705 176.300 -0.284 0.000 0.962 672 R CA -0.521 55.420 56.100 -0.265 0.000 0.882 672 R CB 1.965 32.158 30.300 -0.178 0.000 1.143 672 R HN 0.642 nan 8.270 nan 0.000 0.452 673 L N 2.397 123.493 121.223 -0.212 0.000 2.438 673 L HA 0.401 4.741 4.340 -0.000 0.000 0.270 673 L C -1.165 175.622 176.870 -0.139 0.000 0.972 673 L CA -0.773 53.941 54.840 -0.211 0.000 0.831 673 L CB 1.963 43.869 42.059 -0.255 0.000 1.273 673 L HN 0.529 nan 8.230 nan 0.000 0.405 674 N N 3.100 121.735 118.700 -0.108 0.000 2.430 674 N HA 0.110 4.850 4.740 -0.000 0.000 0.265 674 N C 0.894 176.427 175.510 0.038 0.000 1.100 674 N CA -0.055 52.971 53.050 -0.041 0.000 0.961 674 N CB 1.956 40.421 38.487 -0.037 0.000 1.075 674 N HN 0.616 nan 8.380 nan 0.000 0.478 675 V N 1.721 121.698 119.914 0.105 0.000 2.970 675 V HA -0.040 4.080 4.120 -0.000 0.000 0.260 675 V C 1.164 177.418 176.094 0.267 0.000 1.100 675 V CA 1.322 63.806 62.300 0.306 0.000 1.122 675 V CB -0.660 31.360 31.823 0.329 0.000 0.721 675 V HN 0.528 nan 8.190 nan 0.000 0.483 676 N N 1.404 120.185 118.700 0.136 0.000 2.354 676 N HA -0.028 4.712 4.740 -0.000 0.000 0.179 676 N C 1.542 177.115 175.510 0.104 0.000 1.021 676 N CA 1.154 54.261 53.050 0.095 0.000 0.887 676 N CB -0.243 38.272 38.487 0.047 0.000 0.974 676 N HN 0.495 nan 8.380 nan 0.000 0.437 677 N N 0.044 118.800 118.700 0.093 0.000 2.416 677 N HA -0.119 4.620 4.740 -0.000 0.000 0.177 677 N C -0.075 175.505 175.510 0.115 0.000 1.036 677 N CA 0.193 53.281 53.050 0.063 0.000 0.901 677 N CB -0.143 38.341 38.487 -0.006 0.000 0.976 677 N HN 0.336 nan 8.380 nan 0.000 0.444 678 W N 2.725 123.984 121.300 -0.069 0.000 7.467 678 W HA -0.242 4.417 4.660 -0.000 0.000 0.416 678 W C -0.555 175.895 176.519 -0.114 0.000 1.623 678 W CA 0.671 57.966 57.345 -0.084 0.000 1.204 678 W CB -1.241 28.187 29.460 -0.052 0.000 2.836 678 W HN 0.116 nan 8.180 nan 0.000 1.656 679 N N 0.795 119.322 118.700 -0.288 0.000 2.455 679 N HA 0.403 5.142 4.740 -0.000 0.000 0.285 679 N C -0.073 175.228 175.510 -0.348 0.000 1.080 679 N CA 0.369 53.239 53.050 -0.300 0.000 0.932 679 N CB 1.615 40.016 38.487 -0.144 0.000 1.610 679 N HN -0.035 nan 8.380 nan 0.000 0.493 680 A N 2.592 125.158 122.820 -0.422 0.000 2.308 680 A HA 0.127 4.447 4.320 -0.000 0.000 0.217 680 A C 1.008 178.453 177.584 -0.232 0.000 1.216 680 A CA 0.182 51.987 52.037 -0.386 0.000 0.864 680 A CB 0.015 18.660 19.000 -0.591 0.000 0.902 680 A HN 0.722 nan 8.150 nan 0.000 0.499 681 D N 1.178 121.463 120.400 -0.192 0.000 2.190 681 D HA -0.132 4.508 4.640 -0.000 0.000 0.200 681 D C 0.159 176.405 176.300 -0.090 0.000 0.992 681 D CA 1.303 55.225 54.000 -0.130 0.000 0.854 681 D CB -0.028 40.709 40.800 -0.105 0.000 0.936 681 D HN 0.415 nan 8.370 nan 0.000 0.462 682 D N -0.054 120.284 120.400 -0.104 0.000 2.643 682 D HA 0.121 4.761 4.640 -0.000 0.000 0.244 682 D C 0.444 176.664 176.300 -0.133 0.000 1.257 682 D CA -0.434 53.521 54.000 -0.076 0.000 0.831 682 D CB 0.331 41.093 40.800 -0.063 0.000 1.043 682 D HN 0.182 nan 8.370 nan 0.000 0.488 683 I N 1.863 122.324 120.570 -0.180 0.000 2.775 683 I HA -0.130 4.039 4.170 -0.000 0.000 0.290 683 I C 0.283 176.193 176.117 -0.344 0.000 1.203 683 I CA 0.455 61.554 61.300 -0.334 0.000 1.433 683 I CB 0.440 38.199 38.000 -0.402 0.000 1.354 683 I HN -0.080 nan 8.210 nan 0.000 0.579 684 E N 7.026 126.923 120.200 -0.505 0.000 2.073 684 E HA 0.169 4.518 4.350 -0.000 0.000 0.269 684 E C -1.683 174.563 176.600 -0.590 0.000 0.917 684 E CA -0.448 55.616 56.400 -0.560 0.000 0.757 684 E CB 0.496 29.570 29.700 -1.044 0.000 1.111 684 E HN 0.470 nan 8.360 nan 0.000 0.410 685 W N 2.666 123.842 121.300 -0.207 0.000 2.345 685 W HA 0.259 4.918 4.660 -0.000 0.000 0.308 685 W C -0.310 176.118 176.519 -0.152 0.000 1.273 685 W CA -0.652 56.520 57.345 -0.289 0.000 1.243 685 W CB 0.804 29.959 29.460 -0.510 0.000 1.260 685 W HN 0.220 nan 8.180 nan 0.000 0.509 686 V N 4.351 124.243 119.914 -0.037 0.000 2.347 686 V HA 0.085 4.205 4.120 -0.000 0.000 0.280 686 V C 0.094 176.177 176.094 -0.018 0.000 1.021 686 V CA -1.136 61.136 62.300 -0.047 0.000 0.847 686 V CB 0.887 32.624 31.823 -0.142 0.000 0.990 686 V HN 0.435 nan 8.190 nan 0.000 0.444 687 N N 4.521 123.093 118.700 -0.213 0.000 2.416 687 N HA 0.190 4.930 4.740 -0.000 0.000 0.265 687 N C 0.652 176.040 175.510 -0.202 0.000 1.195 687 N CA 0.017 52.740 53.050 -0.544 0.000 0.943 687 N CB 0.547 38.614 38.487 -0.700 0.000 1.115 687 N HN 0.708 nan 8.380 nan 0.000 0.481 688 I N -0.492 119.960 120.570 -0.198 0.000 4.139 688 I HA 0.319 4.489 4.170 -0.000 0.000 0.320 688 I C 0.617 176.705 176.117 -0.049 0.000 1.290 688 I CA -0.212 61.032 61.300 -0.094 0.000 1.253 688 I CB 0.386 38.248 38.000 -0.231 0.000 1.122 688 I HN 0.353 nan 8.210 nan 0.000 0.421 689 T N 0.244 114.749 114.554 -0.082 0.000 2.889 689 T HA 0.401 4.751 4.350 -0.000 0.000 0.315 689 T C -2.031 172.672 174.700 0.004 0.000 1.291 689 T CA -0.457 61.670 62.100 0.045 0.000 1.028 689 T CB 2.131 71.121 68.868 0.205 0.000 1.235 689 T HN 0.025 nan 8.240 nan 0.000 0.491 690 D N 2.359 122.783 120.400 0.039 0.000 2.362 690 D HA 0.665 5.304 4.640 -0.000 0.000 0.247 690 D C -0.356 175.974 176.300 0.050 0.000 1.050 690 D CA -0.221 53.808 54.000 0.048 0.000 0.839 690 D CB 2.057 42.903 40.800 0.075 0.000 1.283 690 D HN 0.331 nan 8.370 nan 0.000 0.477 691 Q N 0.449 120.264 119.800 0.025 0.000 2.427 691 Q HA 0.671 5.011 4.340 -0.000 0.000 0.232 691 Q C -0.543 175.386 176.000 -0.119 0.000 1.018 691 Q CA -0.635 55.097 55.803 -0.119 0.000 0.965 691 Q CB 1.656 30.308 28.738 -0.144 0.000 1.232 691 Q HN 0.413 nan 8.270 nan 0.000 0.510 692 I N 0.895 121.297 120.570 -0.281 0.000 2.465 692 I HA 0.315 4.484 4.170 -0.000 0.000 0.291 692 I C -1.318 174.637 176.117 -0.269 0.000 1.014 692 I CA -1.011 60.017 61.300 -0.453 0.000 1.093 692 I CB 1.417 38.991 38.000 -0.711 0.000 1.267 692 I HN 0.532 nan 8.210 nan 0.000 0.431 693 Y N 5.998 126.110 120.300 -0.313 0.000 2.331 693 Y HA 0.231 4.781 4.550 -0.000 0.000 0.338 693 Y C 1.045 176.831 175.900 -0.190 0.000 0.992 693 Y CA -0.175 57.805 58.100 -0.201 0.000 1.121 693 Y CB 1.364 39.760 38.460 -0.105 0.000 1.184 693 Y HN 0.587 nan 8.280 nan 0.000 0.469 694 Q N 4.349 123.667 119.800 -0.803 0.000 2.046 694 Q HA 0.016 4.356 4.340 -0.000 0.000 0.200 694 Q C 1.380 177.004 176.000 -0.626 0.000 0.975 694 Q CA 2.211 57.656 55.803 -0.596 0.000 0.836 694 Q CB -0.279 28.197 28.738 -0.437 0.000 0.896 694 Q HN 1.277 nan 8.270 nan 0.000 0.428 695 G N -1.747 106.419 108.800 -1.057 0.000 2.194 695 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.236 695 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.236 695 G C 0.850 175.684 174.900 -0.110 0.000 0.987 695 G CA 0.613 45.395 45.100 -0.529 0.000 0.635 695 G HN 0.577 nan 8.290 nan 0.000 0.520 696 G N 0.286 109.013 108.800 -0.122 0.000 2.484 696 G HA2 0.402 4.362 3.960 -0.000 0.000 0.218 696 G HA3 0.402 4.362 3.960 -0.000 0.000 0.218 696 G C 0.879 175.937 174.900 0.262 0.000 1.130 696 G CA 1.297 46.441 45.100 0.073 0.000 0.784 696 G HN 1.527 nan 8.290 nan 0.000 0.543 697 I N -4.499 116.160 120.570 0.148 0.000 3.174 697 I HA 0.534 4.704 4.170 -0.000 0.000 0.313 697 I C 1.029 177.124 176.117 -0.037 0.000 1.155 697 I CA -1.120 60.316 61.300 0.226 0.000 0.977 697 I CB 1.856 39.944 38.000 0.147 0.000 1.248 697 I HN -0.208 nan 8.210 nan 0.000 0.453 698 V N 2.679 122.460 119.914 -0.223 0.000 2.427 698 V HA -0.115 4.005 4.120 -0.000 0.000 0.248 698 V C 1.071 177.067 176.094 -0.163 0.000 1.051 698 V CA 1.595 63.609 62.300 -0.476 0.000 1.048 698 V CB -0.842 30.734 31.823 -0.412 0.000 0.666 698 V HN 0.887 nan 8.190 nan 0.000 0.456 699 N N 0.458 119.090 118.700 -0.114 0.000 2.453 699 N HA 0.207 4.947 4.740 -0.000 0.000 0.253 699 N C -0.453 175.125 175.510 0.114 0.000 1.252 699 N CA 0.567 53.485 53.050 -0.221 0.000 0.917 699 N CB 0.733 38.864 38.487 -0.594 0.000 1.117 699 N HN 0.320 nan 8.380 nan 0.000 0.442 700 S N -0.504 115.271 115.700 0.125 0.000 2.521 700 S HA 0.541 5.011 4.470 -0.000 0.000 0.295 700 S C 0.722 175.551 174.600 0.382 0.000 1.098 700 S CA -0.847 57.543 58.200 0.316 0.000 0.999 700 S CB 1.223 64.480 63.200 0.095 0.000 1.034 700 S HN 0.650 nan 8.310 nan 0.000 0.483 701 G N 2.288 111.245 108.800 0.261 0.000 3.042 701 G HA2 0.222 4.182 3.960 -0.000 0.000 0.212 701 G HA3 0.222 4.182 3.960 -0.000 0.000 0.212 701 G C 0.528 175.387 174.900 -0.068 0.000 1.166 701 G CA 0.482 45.591 45.100 0.016 0.000 0.767 701 G HN 0.965 nan 8.290 nan 0.000 0.546 702 V N -0.405 119.529 119.914 0.034 0.000 2.649 702 V HA 0.715 4.835 4.120 -0.000 0.000 0.292 702 V C 0.900 177.072 176.094 0.130 0.000 1.055 702 V CA 0.710 63.034 62.300 0.040 0.000 1.023 702 V CB 0.794 32.648 31.823 0.052 0.000 0.992 702 V HN 1.316 nan 8.190 nan 0.000 0.480 703 G N 3.238 112.183 108.800 0.240 0.000 2.496 703 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.243 703 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.243 703 G C 0.413 175.481 174.900 0.280 0.000 1.176 703 G CA 0.465 45.785 45.100 0.368 0.000 0.940 703 G HN 2.507 nan 8.290 nan 0.000 0.573 704 V N -2.500 117.595 119.914 0.302 0.000 5.678 704 V HA 0.139 4.259 4.120 -0.000 0.000 0.205 704 V C 1.188 177.475 176.094 0.321 0.000 0.703 704 V CA 1.941 64.432 62.300 0.318 0.000 0.545 704 V CB -1.977 30.038 31.823 0.319 0.000 0.202 704 V HN 2.522 nan 8.190 nan 0.000 0.481 705 G N 0.186 109.209 108.800 0.373 0.000 2.736 705 G HA2 0.769 4.729 3.960 -0.000 0.000 0.229 705 G HA3 0.769 4.729 3.960 -0.000 0.000 0.229 705 G C -0.282 174.820 174.900 0.337 0.000 1.380 705 G CA -0.242 45.021 45.100 0.272 0.000 1.040 705 G HN 1.592 nan 8.290 nan 0.000 0.568 706 S N -2.570 113.303 115.700 0.287 0.000 2.547 706 S HA 0.594 5.064 4.470 -0.000 0.000 0.270 706 S C -1.692 173.080 174.600 0.288 0.000 1.150 706 S CA -0.464 57.901 58.200 0.276 0.000 0.850 706 S CB 1.842 65.165 63.200 0.205 0.000 1.118 706 S HN 0.703 nan 8.310 nan 0.000 0.461 707 V N 3.324 123.396 119.914 0.264 0.000 2.686 707 V HA 0.780 4.900 4.120 -0.000 0.000 0.306 707 V C -0.490 175.739 176.094 0.225 0.000 1.065 707 V CA -0.497 61.951 62.300 0.247 0.000 0.894 707 V CB 1.658 33.653 31.823 0.286 0.000 1.004 707 V HN 0.957 nan 8.190 nan 0.000 0.424 708 V N 2.737 122.803 119.914 0.253 0.000 3.040 708 V HA 0.866 4.986 4.120 -0.000 0.000 0.312 708 V C -0.940 175.355 176.094 0.335 0.000 1.115 708 V CA -0.833 61.629 62.300 0.268 0.000 0.998 708 V CB 2.188 34.144 31.823 0.222 0.000 1.042 708 V HN 0.475 nan 8.190 nan 0.000 0.433 709 V N 2.382 122.478 119.914 0.303 0.000 2.459 709 V HA 0.621 4.741 4.120 -0.000 0.000 0.295 709 V C -0.172 176.103 176.094 0.302 0.000 1.029 709 V CA -0.487 61.996 62.300 0.304 0.000 0.874 709 V CB 1.611 33.573 31.823 0.231 0.000 0.985 709 V HN 1.077 nan 8.190 nan 0.000 0.438 710 K N 4.050 124.680 120.400 0.383 0.000 2.426 710 K HA 0.438 4.758 4.320 -0.000 0.000 0.254 710 K C -0.168 176.591 176.600 0.265 0.000 0.936 710 K CA -0.434 56.024 56.287 0.285 0.000 0.801 710 K CB 1.301 33.942 32.500 0.235 0.000 1.139 710 K HN 0.757 nan 8.250 nan 0.000 0.424 711 D N 1.836 122.337 120.400 0.169 0.000 3.899 711 D HA -0.320 4.320 4.640 -0.000 0.000 0.146 711 D C 0.318 176.667 176.300 0.082 0.000 0.820 711 D CA 2.124 56.199 54.000 0.123 0.000 1.056 711 D CB -0.633 40.250 40.800 0.138 0.000 0.474 711 D HN 0.912 nan 8.370 nan 0.000 0.457 712 N N 0.707 119.422 118.700 0.026 0.000 2.238 712 N HA 0.041 4.781 4.740 -0.000 0.000 0.222 712 N C -0.558 174.682 175.510 -0.449 0.000 1.133 712 N CA 0.047 52.986 53.050 -0.186 0.000 0.854 712 N CB 0.256 38.584 38.487 -0.265 0.000 1.041 712 N HN 0.389 nan 8.380 nan 0.000 0.510 713 Y N 0.413 120.698 120.300 -0.025 0.000 2.485 713 Y HA 0.546 5.095 4.550 -0.000 0.000 0.345 713 Y C -0.190 175.594 175.900 -0.194 0.000 0.998 713 Y CA -1.057 56.933 58.100 -0.182 0.000 1.059 713 Y CB 2.132 40.359 38.460 -0.388 0.000 1.234 713 Y HN -0.127 nan 8.280 nan 0.000 0.461 714 I N 2.404 122.932 120.570 -0.071 0.000 2.460 714 I HA 0.460 4.630 4.170 -0.000 0.000 0.298 714 I C -1.648 174.349 176.117 -0.201 0.000 0.989 714 I CA -0.814 60.495 61.300 0.014 0.000 1.173 714 I CB 1.045 39.153 38.000 0.180 0.000 1.338 714 I HN 0.566 nan 8.210 nan 0.000 0.456 715 Y N 6.400 126.766 120.300 0.110 0.000 2.376 715 Y HA 0.344 4.893 4.550 -0.000 0.000 0.340 715 Y C -1.054 174.839 175.900 -0.012 0.000 0.965 715 Y CA -0.635 57.507 58.100 0.069 0.000 1.078 715 Y CB 1.467 39.988 38.460 0.102 0.000 1.193 715 Y HN 0.406 nan 8.280 nan 0.000 0.452 716 Y N 4.385 124.585 120.300 -0.166 0.000 2.356 716 Y HA 0.621 5.171 4.550 -0.000 0.000 0.334 716 Y C -1.331 174.617 175.900 0.080 0.000 0.958 716 Y CA -1.991 55.920 58.100 -0.314 0.000 1.196 716 Y CB 0.773 38.639 38.460 -0.989 0.000 1.137 716 Y HN 0.657 nan 8.280 nan 0.000 0.485 717 M N 9.012 128.568 119.600 -0.075 0.000 2.113 717 M HA 0.452 4.932 4.480 -0.000 0.000 0.352 717 M C -1.178 175.036 176.300 -0.143 0.000 1.170 717 M CA -0.106 55.151 55.300 -0.072 0.000 1.053 717 M CB 0.535 33.096 32.600 -0.064 0.000 1.601 717 M HN 0.565 nan 8.290 nan 0.000 0.459 718 F N -0.468 119.180 119.950 -0.503 0.000 2.711 718 F HA 0.973 5.499 4.527 -0.000 0.000 0.313 718 F C 0.009 175.690 175.800 -0.198 0.000 1.141 718 F CA -1.607 56.145 58.000 -0.413 0.000 0.941 718 F CB 0.898 39.495 39.000 -0.671 0.000 1.349 718 F HN 0.534 nan 8.300 nan 0.000 0.464 719 G N -0.532 108.169 108.800 -0.164 0.000 2.504 719 G HA2 0.585 4.545 3.960 -0.000 0.000 0.288 719 G HA3 0.585 4.545 3.960 -0.000 0.000 0.288 719 G C -0.742 173.986 174.900 -0.286 0.000 1.182 719 G CA -0.507 44.444 45.100 -0.249 0.000 0.894 719 G HN 1.246 nan 8.290 nan 0.000 0.521 720 G N -0.485 108.202 108.800 -0.189 0.000 2.703 720 G HA2 0.576 4.536 3.960 -0.000 0.000 0.294 720 G HA3 0.576 4.536 3.960 -0.000 0.000 0.294 720 G C -1.046 173.775 174.900 -0.132 0.000 1.451 720 G CA -0.610 44.336 45.100 -0.257 0.000 0.869 720 G HN 0.576 nan 8.290 nan 0.000 0.516 721 E N -0.833 119.243 120.200 -0.207 0.000 2.390 721 E HA 0.612 4.961 4.350 -0.000 0.000 0.249 721 E C -0.715 175.710 176.600 -0.291 0.000 0.981 721 E CA -0.700 55.561 56.400 -0.232 0.000 0.860 721 E CB 1.625 31.171 29.700 -0.256 0.000 1.278 721 E HN 0.654 nan 8.360 nan 0.000 0.416 722 D N -1.847 118.347 120.400 -0.345 0.000 2.732 722 D HA 0.172 4.812 4.640 -0.000 0.000 0.292 722 D C 0.229 176.180 176.300 -0.581 0.000 1.135 722 D CA -0.515 53.194 54.000 -0.484 0.000 1.071 722 D CB 0.200 40.777 40.800 -0.371 0.000 1.457 722 D HN 0.352 nan 8.370 nan 0.000 0.547 723 H N -0.998 117.783 119.070 -0.482 0.000 2.547 723 H HA 0.162 4.717 4.556 -0.000 0.000 0.266 723 H C -0.205 174.919 175.328 -0.340 0.000 0.988 723 H CA 0.090 55.895 56.048 -0.405 0.000 1.147 723 H CB -0.319 29.240 29.762 -0.339 0.000 1.365 723 H HN 0.186 nan 8.280 nan 0.000 0.589 724 F N 1.972 121.844 119.950 -0.130 0.000 2.466 724 F HA 0.070 4.597 4.527 -0.000 0.000 0.363 724 F C 1.262 176.816 175.800 -0.410 0.000 1.109 724 F CA -0.948 56.926 58.000 -0.210 0.000 1.161 724 F CB -0.021 38.878 39.000 -0.169 0.000 1.117 724 F HN -0.022 nan 8.300 nan 0.000 0.539 725 N N 6.240 124.650 118.700 -0.484 0.000 2.454 725 N HA 0.015 4.755 4.740 -0.000 0.000 0.260 725 N C -1.455 173.411 175.510 -1.073 0.000 1.218 725 N CA -1.047 51.460 53.050 -0.904 0.000 0.904 725 N CB 1.274 38.777 38.487 -1.640 0.000 1.065 725 N HN 0.222 nan 8.380 nan 0.000 0.462 726 P HA -0.083 nan 4.420 nan 0.000 0.226 726 P C -0.466 176.672 177.300 -0.271 0.000 1.153 726 P CA 0.725 63.581 63.100 -0.406 0.000 0.777 726 P CB -0.119 31.528 31.700 -0.087 0.000 0.794 727 W N -1.674 119.626 121.300 -0.000 0.000 4.435 727 W HA -0.187 4.472 4.660 -0.000 0.000 0.351 727 W C 1.087 177.591 176.519 -0.025 0.000 1.319 727 W CA 0.083 57.432 57.345 0.006 0.000 0.791 727 W CB -3.094 26.362 29.460 -0.006 0.000 2.419 727 W HN -0.066 nan 8.180 nan 0.000 1.406 728 T N -1.312 113.280 114.554 0.064 0.000 2.746 728 T HA -0.205 4.145 4.350 -0.000 0.000 0.267 728 T C 0.456 175.033 174.700 -0.205 0.000 1.039 728 T CA 1.383 63.404 62.100 -0.131 0.000 1.142 728 T CB -0.238 68.448 68.868 -0.304 0.000 0.866 728 T HN 0.179 nan 8.240 nan 0.000 0.444 729 Y N 1.392 121.821 120.300 0.215 0.000 2.676 729 Y HA 0.543 5.093 4.550 -0.000 0.000 0.338 729 Y C 1.024 177.066 175.900 0.236 0.000 1.057 729 Y CA -0.567 57.648 58.100 0.191 0.000 1.314 729 Y CB 0.435 38.999 38.460 0.173 0.000 1.164 729 Y HN 0.310 nan 8.280 nan 0.000 0.509 730 G N 1.699 110.669 108.800 0.283 0.000 2.441 730 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.222 730 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.222 730 G C -0.774 174.188 174.900 0.104 0.000 1.254 730 G CA -0.226 44.983 45.100 0.181 0.000 0.959 730 G HN 0.419 nan 8.290 nan 0.000 0.474 731 D N -0.518 119.898 120.400 0.026 0.000 2.328 731 D HA 0.066 4.706 4.640 -0.000 0.000 0.226 731 D C 0.648 176.988 176.300 0.067 0.000 1.066 731 D CA 0.446 54.452 54.000 0.008 0.000 0.861 731 D CB -0.044 40.711 40.800 -0.076 0.000 0.912 731 D HN 0.399 nan 8.370 nan 0.000 0.521 732 N N 0.188 118.968 118.700 0.133 0.000 2.642 732 N HA 0.023 4.763 4.740 -0.000 0.000 0.308 732 N C 0.670 176.240 175.510 0.100 0.000 1.914 732 N CA 0.072 53.194 53.050 0.120 0.000 0.893 732 N CB 0.534 39.106 38.487 0.142 0.000 1.322 732 N HN 0.099 nan 8.380 nan 0.000 0.490 733 S N -0.809 114.938 115.700 0.079 0.000 2.442 733 S HA -0.118 4.352 4.470 -0.000 0.000 0.236 733 S C 1.895 176.531 174.600 0.060 0.000 1.007 733 S CA 0.845 59.076 58.200 0.052 0.000 0.965 733 S CB -0.052 63.184 63.200 0.060 0.000 0.773 733 S HN 0.391 nan 8.310 nan 0.000 0.504 734 A N 1.480 124.344 122.820 0.073 0.000 2.168 734 A HA 0.191 4.511 4.320 -0.000 0.000 0.215 734 A C 1.141 178.791 177.584 0.110 0.000 1.152 734 A CA 0.713 52.799 52.037 0.081 0.000 0.716 734 A CB -0.665 18.383 19.000 0.079 0.000 0.794 734 A HN 0.569 nan 8.150 nan 0.000 0.465 735 K N -0.399 120.080 120.400 0.132 0.000 3.160 735 K HA -0.167 4.153 4.320 -0.000 0.000 0.280 735 K C -0.549 176.191 176.600 0.233 0.000 1.154 735 K CA 0.733 57.163 56.287 0.238 0.000 0.822 735 K CB -1.550 31.113 32.500 0.273 0.000 1.239 735 K HN 0.619 nan 8.250 nan 0.000 0.489 736 D N 0.738 121.205 120.400 0.112 0.000 2.412 736 D HA 0.026 4.665 4.640 -0.000 0.000 0.257 736 D C -1.373 174.878 176.300 -0.082 0.000 1.217 736 D CA -1.895 52.146 54.000 0.069 0.000 0.897 736 D CB 1.061 41.914 40.800 0.089 0.000 1.132 736 D HN -0.028 nan 8.370 nan 0.000 0.493 737 P HA -0.059 nan 4.420 nan 0.000 0.222 737 P C 0.546 177.447 177.300 -0.664 0.000 1.147 737 P CA 0.840 63.585 63.100 -0.591 0.000 0.790 737 P CB 0.014 31.017 31.700 -1.161 0.000 0.780 738 F N -0.690 119.211 119.950 -0.081 0.000 2.693 738 F HA 0.167 4.694 4.527 -0.000 0.000 0.303 738 F C 1.049 176.828 175.800 -0.035 0.000 1.097 738 F CA -0.119 57.844 58.000 -0.062 0.000 1.330 738 F CB -0.399 38.580 39.000 -0.035 0.000 1.067 738 F HN -0.288 nan 8.300 nan 0.000 0.565 739 K N 0.346 120.775 120.400 0.049 0.000 2.172 739 K HA 0.416 4.735 4.320 -0.000 0.000 0.276 739 K C 0.886 177.498 176.600 0.021 0.000 1.013 739 K CA 0.138 56.454 56.287 0.048 0.000 0.913 739 K CB 1.813 34.346 32.500 0.056 0.000 1.055 739 K HN 0.094 nan 8.250 nan 0.000 0.461 740 S N 1.914 117.638 115.700 0.040 0.000 3.938 740 S HA -0.237 4.233 4.470 -0.000 0.000 0.624 740 S C 0.372 174.938 174.600 -0.056 0.000 2.186 740 S CA 1.606 59.832 58.200 0.043 0.000 4.144 740 S CB -1.007 62.321 63.200 0.213 0.000 0.230 740 S HN 0.843 nan 8.310 nan 0.000 0.755 741 D N 2.904 123.235 120.400 -0.115 0.000 2.325 741 D HA 0.360 5.000 4.640 -0.000 0.000 0.225 741 D C 1.392 177.570 176.300 -0.203 0.000 1.096 741 D CA 1.095 54.956 54.000 -0.232 0.000 0.844 741 D CB -0.333 40.200 40.800 -0.445 0.000 0.925 741 D HN 0.982 nan 8.370 nan 0.000 0.513 742 G N 1.348 110.005 108.800 -0.239 0.000 2.602 742 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.306 742 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.306 742 G C -0.357 174.265 174.900 -0.464 0.000 1.301 742 G CA -0.017 44.839 45.100 -0.406 0.000 0.974 742 G HN 0.487 nan 8.290 nan 0.000 0.547 743 H N 2.062 121.060 119.070 -0.121 0.000 2.489 743 H HA 0.448 5.004 4.556 -0.000 0.000 0.322 743 H C -1.165 174.050 175.328 -0.189 0.000 1.091 743 H CA -1.224 54.749 56.048 -0.125 0.000 1.291 743 H CB 1.821 31.566 29.762 -0.027 0.000 1.436 743 H HN 0.306 nan 8.280 nan 0.000 0.480 744 P HA -0.087 nan 4.420 nan 0.000 0.229 744 P C 0.479 177.640 177.300 -0.231 0.000 1.160 744 P CA 0.473 63.481 63.100 -0.153 0.000 0.777 744 P CB 0.423 32.010 31.700 -0.189 0.000 0.814 745 S N 0.548 116.006 115.700 -0.403 0.000 2.531 745 S HA 0.186 4.656 4.470 -0.000 0.000 0.279 745 S C -0.168 174.243 174.600 -0.314 0.000 1.305 745 S CA -0.143 57.789 58.200 -0.448 0.000 1.058 745 S CB -0.192 62.506 63.200 -0.836 0.000 0.899 745 S HN -0.063 nan 8.310 nan 0.000 0.493 746 D N 2.254 122.501 120.400 -0.256 0.000 2.610 746 D HA 0.381 5.021 4.640 -0.000 0.000 0.271 746 D C -0.789 175.275 176.300 -0.393 0.000 1.174 746 D CA -0.500 53.310 54.000 -0.317 0.000 0.949 746 D CB 1.415 42.012 40.800 -0.337 0.000 1.430 746 D HN 0.455 nan 8.370 nan 0.000 0.467 747 L N 1.202 122.088 121.223 -0.562 0.000 2.334 747 L HA 0.410 4.750 4.340 -0.000 0.000 0.277 747 L C -0.733 175.651 176.870 -0.811 0.000 1.075 747 L CA -0.492 53.995 54.840 -0.589 0.000 0.804 747 L CB 0.480 42.158 42.059 -0.636 0.000 1.174 747 L HN 0.300 nan 8.230 nan 0.000 0.438 748 Y N 0.777 120.699 120.300 -0.629 0.000 2.630 748 Y HA 0.577 5.127 4.550 -0.000 0.000 0.337 748 Y C -0.153 175.556 175.900 -0.318 0.000 1.051 748 Y CA -0.800 56.978 58.100 -0.536 0.000 1.121 748 Y CB 2.022 40.035 38.460 -0.745 0.000 1.299 748 Y HN 0.509 nan 8.280 nan 0.000 0.498 749 C N 1.715 121.104 119.300 0.148 0.000 2.642 749 C HA 0.502 4.962 4.460 -0.000 0.000 0.344 749 C C -1.754 173.537 174.990 0.501 0.000 1.110 749 C CA -0.841 58.345 59.018 0.280 0.000 1.298 749 C CB -0.561 27.204 27.740 0.041 0.000 1.827 749 C HN 0.778 nan 8.230 nan 0.000 0.467 750 Y N 4.988 125.538 120.300 0.417 0.000 2.367 750 Y HA 0.480 5.029 4.550 -0.000 0.000 0.342 750 Y C 0.273 176.292 175.900 0.197 0.000 0.979 750 Y CA 0.151 58.449 58.100 0.330 0.000 1.161 750 Y CB 0.539 39.167 38.460 0.281 0.000 1.155 750 Y HN 0.749 nan 8.280 nan 0.000 0.503 751 K N 8.084 128.413 120.400 -0.118 0.000 2.263 751 K HA 0.393 4.713 4.320 -0.000 0.000 0.272 751 K C -1.298 175.188 176.600 -0.190 0.000 1.033 751 K CA -0.601 55.575 56.287 -0.185 0.000 0.884 751 K CB 0.656 33.115 32.500 -0.069 0.000 1.107 751 K HN 0.841 nan 8.250 nan 0.000 0.460 752 M N 4.565 124.168 119.600 0.005 0.000 2.311 752 M HA 0.258 4.737 4.480 -0.000 0.000 0.325 752 M C -0.895 175.496 176.300 0.153 0.000 1.061 752 M CA -0.765 54.628 55.300 0.155 0.000 0.957 752 M CB 1.416 34.178 32.600 0.271 0.000 1.646 752 M HN 0.512 nan 8.290 nan 0.000 0.434 753 K N 3.274 123.747 120.400 0.123 0.000 2.368 753 K HA 0.182 4.502 4.320 -0.000 0.000 0.282 753 K C -0.185 176.305 176.600 -0.183 0.000 1.035 753 K CA 0.088 56.263 56.287 -0.186 0.000 0.973 753 K CB 0.687 33.096 32.500 -0.151 0.000 0.957 753 K HN 0.738 nan 8.250 nan 0.000 0.474 754 I N 2.226 122.635 120.570 -0.268 0.000 4.439 754 I HA 0.296 4.466 4.170 -0.000 0.000 0.331 754 I C 0.120 176.153 176.117 -0.140 0.000 1.345 754 I CA 0.018 61.234 61.300 -0.140 0.000 1.193 754 I CB 1.203 39.158 38.000 -0.075 0.000 1.221 754 I HN 0.753 nan 8.210 nan 0.000 0.429 755 G N 0.489 109.166 108.800 -0.205 0.000 2.623 755 G HA2 0.514 4.474 3.960 -0.000 0.000 0.290 755 G HA3 0.514 4.474 3.960 -0.000 0.000 0.290 755 G C -3.109 171.687 174.900 -0.172 0.000 1.437 755 G CA -0.827 44.183 45.100 -0.150 0.000 0.798 755 G HN -0.259 nan 8.290 nan 0.000 0.488 756 P HA 0.199 nan 4.420 nan 0.000 0.269 756 P C -1.178 176.070 177.300 -0.087 0.000 1.209 756 P CA 0.035 63.081 63.100 -0.089 0.000 0.776 756 P CB 1.350 33.017 31.700 -0.054 0.000 0.876 757 D N 2.051 122.413 120.400 -0.062 0.000 2.460 757 D HA 0.139 4.779 4.640 -0.000 0.000 0.232 757 D C -0.078 176.223 176.300 0.003 0.000 1.079 757 D CA -0.330 53.657 54.000 -0.021 0.000 0.864 757 D CB -0.158 40.650 40.800 0.013 0.000 1.048 757 D HN 0.201 nan 8.370 nan 0.000 0.523 758 N N 2.326 121.030 118.700 0.006 0.000 2.313 758 N HA 0.109 4.848 4.740 -0.000 0.000 0.207 758 N C 0.164 175.684 175.510 0.017 0.000 1.141 758 N CA -0.020 53.035 53.050 0.008 0.000 0.830 758 N CB 0.719 39.209 38.487 0.005 0.000 1.008 758 N HN 0.081 nan 8.380 nan 0.000 0.481 759 R N 0.072 120.589 120.500 0.028 0.000 2.854 759 R HA 0.445 4.784 4.340 -0.000 0.000 0.271 759 R C -0.430 175.892 176.300 0.035 0.000 0.996 759 R CA -0.849 55.270 56.100 0.032 0.000 0.961 759 R CB 1.981 32.306 30.300 0.040 0.000 1.182 759 R HN -0.086 nan 8.270 nan 0.000 0.479 760 V N 1.132 121.065 119.914 0.032 0.000 3.287 760 V HA -0.045 4.075 4.120 -0.000 0.000 0.306 760 V C 0.735 176.854 176.094 0.041 0.000 1.103 760 V CA 0.381 62.700 62.300 0.032 0.000 1.159 760 V CB 1.613 33.452 31.823 0.027 0.000 1.036 760 V HN 0.768 nan 8.190 nan 0.000 0.487 761 S N 1.465 117.189 115.700 0.040 0.000 2.560 761 S HA 0.118 4.588 4.470 -0.000 0.000 0.284 761 S C 0.876 175.504 174.600 0.047 0.000 1.327 761 S CA -0.156 58.069 58.200 0.042 0.000 1.055 761 S CB 0.118 63.339 63.200 0.034 0.000 0.868 761 S HN 0.616 nan 8.310 nan 0.000 0.506 762 R N 1.696 122.219 120.500 0.038 0.000 2.362 762 R HA 0.279 4.619 4.340 -0.000 0.000 0.227 762 R C -0.412 175.911 176.300 0.038 0.000 0.905 762 R CA -0.054 56.078 56.100 0.054 0.000 1.067 762 R CB 0.103 30.423 30.300 0.033 0.000 1.078 762 R HN 0.533 nan 8.270 nan 0.000 0.516 763 D N 0.692 121.076 120.400 -0.028 0.000 2.399 763 D HA 0.128 4.768 4.640 -0.000 0.000 0.241 763 D C -0.146 176.140 176.300 -0.023 0.000 1.133 763 D CA 0.502 54.413 54.000 -0.148 0.000 0.890 763 D CB 0.532 41.276 40.800 -0.094 0.000 1.201 763 D HN -0.003 nan 8.370 nan 0.000 0.432 764 F N -1.541 118.439 119.950 0.050 0.000 2.629 764 F HA 0.530 5.057 4.527 -0.000 0.000 0.316 764 F C -0.050 175.793 175.800 0.072 0.000 1.081 764 F CA -1.440 56.588 58.000 0.047 0.000 0.954 764 F CB 1.284 40.305 39.000 0.035 0.000 1.337 764 F HN -0.082 nan 8.300 nan 0.000 0.474 765 R N 1.209 121.909 120.500 0.333 0.000 2.357 765 R HA 0.233 4.573 4.340 -0.000 0.000 0.296 765 R C -1.614 174.933 176.300 0.413 0.000 1.052 765 R CA -0.755 55.511 56.100 0.276 0.000 0.988 765 R CB 0.960 31.353 30.300 0.155 0.000 1.025 765 R HN 0.905 nan 8.270 nan 0.000 0.469 766 Y N 2.175 122.643 120.300 0.280 0.000 2.486 766 Y HA 0.234 4.784 4.550 -0.000 0.000 0.348 766 Y C 0.747 176.713 175.900 0.110 0.000 1.000 766 Y CA 0.400 58.638 58.100 0.229 0.000 1.253 766 Y CB 1.113 39.708 38.460 0.226 0.000 1.140 766 Y HN 0.795 nan 8.280 nan 0.000 0.526 767 G N 4.232 112.910 108.800 -0.205 0.000 3.274 767 G HA2 0.385 4.344 3.960 -0.000 0.000 0.250 767 G HA3 0.385 4.344 3.960 -0.000 0.000 0.250 767 G C 0.120 174.854 174.900 -0.276 0.000 1.024 767 G CA 0.294 45.304 45.100 -0.151 0.000 0.840 767 G HN 0.837 nan 8.290 nan 0.000 0.522 768 A N -0.000 122.441 122.820 -0.630 0.000 2.287 768 A HA 0.631 4.951 4.320 -0.000 0.000 0.273 768 A C 0.085 177.550 177.584 -0.198 0.000 1.091 768 A CA -0.273 51.496 52.037 -0.447 0.000 0.817 768 A CB 0.954 19.614 19.000 -0.566 0.000 1.069 768 A HN 0.250 nan 8.150 nan 0.000 0.492 769 V N 2.803 122.671 119.914 -0.076 0.000 2.470 769 V HA 0.180 4.299 4.120 -0.000 0.000 0.276 769 V C -1.986 174.150 176.094 0.071 0.000 1.040 769 V CA -0.773 61.540 62.300 0.021 0.000 1.008 769 V CB 0.578 32.396 31.823 -0.007 0.000 0.990 769 V HN 0.727 nan 8.190 nan 0.000 0.477 770 P HA 0.140 nan 4.420 nan 0.000 0.265 770 P C 0.072 177.404 177.300 0.053 0.000 1.222 770 P CA 0.321 63.537 63.100 0.193 0.000 0.767 770 P CB 0.143 31.936 31.700 0.154 0.000 0.801 771 N N 2.575 121.288 118.700 0.021 0.000 2.536 771 N HA 0.092 4.832 4.740 -0.000 0.000 0.286 771 N C 0.616 176.101 175.510 -0.041 0.000 1.577 771 N CA -0.250 52.760 53.050 -0.067 0.000 0.883 771 N CB 0.274 38.671 38.487 -0.150 0.000 1.390 771 N HN 0.075 nan 8.380 nan 0.000 0.491 772 R N -0.172 120.325 120.500 -0.006 0.000 2.167 772 R HA 0.274 4.614 4.340 -0.000 0.000 0.201 772 R C 1.885 178.172 176.300 -0.022 0.000 1.024 772 R CA 0.477 56.577 56.100 -0.000 0.000 1.053 772 R CB -0.590 29.716 30.300 0.009 0.000 0.987 772 R HN 0.157 nan 8.270 nan 0.000 0.493 773 A N 0.916 123.717 122.820 -0.031 0.000 1.854 773 A HA 0.037 4.357 4.320 -0.000 0.000 0.214 773 A C 0.897 178.442 177.584 -0.066 0.000 1.192 773 A CA 0.937 52.942 52.037 -0.052 0.000 0.611 773 A CB 0.137 19.110 19.000 -0.045 0.000 0.832 773 A HN 0.027 nan 8.150 nan 0.000 0.442 774 V N 1.753 121.632 119.914 -0.058 0.000 2.320 774 V HA 0.262 4.381 4.120 -0.000 0.000 0.268 774 V C -2.840 173.205 176.094 -0.081 0.000 1.021 774 V CA -1.555 60.712 62.300 -0.057 0.000 0.813 774 V CB 0.932 32.731 31.823 -0.040 0.000 1.054 774 V HN 0.211 nan 8.190 nan 0.000 0.444 775 P HA 0.153 nan 4.420 nan 0.000 0.265 775 P C -0.438 176.687 177.300 -0.291 0.000 1.222 775 P CA 0.411 63.415 63.100 -0.160 0.000 0.767 775 P CB 0.777 32.520 31.700 0.073 0.000 0.801 776 V N 5.558 125.132 119.914 -0.566 0.000 2.555 776 V HA 0.532 4.652 4.120 -0.000 0.000 0.302 776 V C -0.354 175.243 176.094 -0.827 0.000 1.038 776 V CA -0.334 61.683 62.300 -0.473 0.000 0.887 776 V CB 1.149 32.807 31.823 -0.275 0.000 0.991 776 V HN 0.304 nan 8.190 nan 0.000 0.434 777 F N 3.135 123.068 119.950 -0.027 0.000 2.561 777 F HA 0.554 5.081 4.527 -0.000 0.000 0.313 777 F C -0.386 175.418 175.800 0.006 0.000 1.126 777 F CA -0.700 57.323 58.000 0.038 0.000 0.918 777 F CB 1.534 40.554 39.000 0.032 0.000 1.199 777 F HN 0.273 nan 8.300 nan 0.000 0.444 778 F N 2.939 122.970 119.950 0.135 0.000 2.502 778 F HA 0.147 4.674 4.527 -0.000 0.000 0.371 778 F C 0.877 176.732 175.800 0.092 0.000 1.083 778 F CA -0.508 57.542 58.000 0.083 0.000 1.174 778 F CB 0.095 39.124 39.000 0.048 0.000 1.096 778 F HN 0.484 nan 8.300 nan 0.000 0.545 779 D N 0.290 120.795 120.400 0.175 0.000 2.393 779 D HA 0.011 4.651 4.640 -0.000 0.000 0.246 779 D C 1.281 177.654 176.300 0.122 0.000 1.275 779 D CA -0.087 53.986 54.000 0.122 0.000 0.979 779 D CB 0.074 40.912 40.800 0.064 0.000 1.101 779 D HN 0.508 nan 8.370 nan 0.000 0.505 780 T N -3.002 111.598 114.554 0.076 0.000 3.051 780 T HA -0.151 4.198 4.350 -0.000 0.000 0.269 780 T C 1.179 175.914 174.700 0.059 0.000 1.127 780 T CA 1.017 63.153 62.100 0.060 0.000 1.107 780 T CB -0.515 68.374 68.868 0.035 0.000 0.898 780 T HN 0.429 nan 8.240 nan 0.000 0.517 781 N N 0.683 119.420 118.700 0.062 0.000 2.322 781 N HA 0.269 5.009 4.740 -0.000 0.000 0.194 781 N C 1.324 176.884 175.510 0.084 0.000 1.126 781 N CA 0.652 53.736 53.050 0.055 0.000 0.845 781 N CB -0.241 38.267 38.487 0.035 0.000 0.976 781 N HN 0.552 nan 8.380 nan 0.000 0.475 782 G N -0.622 108.264 108.800 0.143 0.000 2.143 782 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.249 782 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.249 782 G C -0.365 174.695 174.900 0.267 0.000 0.981 782 G CA 0.464 45.710 45.100 0.243 0.000 0.665 782 G HN 0.194 nan 8.290 nan 0.000 0.528 783 V N 0.575 120.548 119.914 0.099 0.000 2.483 783 V HA 0.496 4.616 4.120 -0.000 0.000 0.295 783 V C 1.076 177.009 176.094 -0.268 0.000 1.035 783 V CA -1.080 61.183 62.300 -0.062 0.000 0.896 783 V CB 1.548 33.352 31.823 -0.032 0.000 0.986 783 V HN 0.391 nan 8.190 nan 0.000 0.447 784 R N 2.368 122.552 120.500 -0.525 0.000 2.480 784 R HA 0.274 4.613 4.340 -0.000 0.000 0.303 784 R C -0.157 176.003 176.300 -0.233 0.000 0.985 784 R CA 0.379 56.136 56.100 -0.572 0.000 1.051 784 R CB 0.040 30.036 30.300 -0.506 0.000 0.935 784 R HN 0.744 nan 8.270 nan 0.000 0.410 785 T N 2.590 117.069 114.554 -0.126 0.000 2.812 785 T HA 0.296 4.646 4.350 -0.000 0.000 0.282 785 T C -0.539 174.203 174.700 0.070 0.000 0.990 785 T CA -0.680 61.419 62.100 -0.002 0.000 0.960 785 T CB 1.692 70.590 68.868 0.050 0.000 0.948 785 T HN 0.157 nan 8.240 nan 0.000 0.438 786 V N 6.309 126.256 119.914 0.054 0.000 2.311 786 V HA 0.274 4.394 4.120 -0.000 0.000 0.275 786 V C -1.508 174.645 176.094 0.098 0.000 1.022 786 V CA -1.345 61.004 62.300 0.082 0.000 0.830 786 V CB 1.056 32.909 31.823 0.051 0.000 1.012 786 V HN 0.760 nan 8.190 nan 0.000 0.452 787 P HA 0.219 nan 4.420 nan 0.000 0.240 787 P C 0.537 177.875 177.300 0.063 0.000 1.190 787 P CA 0.198 63.349 63.100 0.085 0.000 0.781 787 P CB 0.407 32.148 31.700 0.069 0.000 0.931 788 A N 2.003 124.866 122.820 0.071 0.000 2.407 788 A HA 0.457 4.777 4.320 -0.000 0.000 0.248 788 A C -2.015 175.582 177.584 0.021 0.000 1.082 788 A CA -1.075 50.983 52.037 0.035 0.000 0.785 788 A CB -0.743 18.270 19.000 0.022 0.000 1.020 788 A HN 0.050 nan 8.150 nan 0.000 0.489 789 P HA 0.355 nan 4.420 nan 0.000 0.271 789 P C -0.671 176.615 177.300 -0.023 0.000 1.216 789 P CA 0.383 63.484 63.100 0.002 0.000 0.776 789 P CB 0.634 32.330 31.700 -0.008 0.000 0.881 790 M N 1.120 120.713 119.600 -0.011 0.000 2.520 790 M HA 0.334 4.814 4.480 -0.000 0.000 0.283 790 M C -0.524 175.731 176.300 -0.074 0.000 1.237 790 M CA -0.696 54.547 55.300 -0.095 0.000 0.885 790 M CB 3.064 35.597 32.600 -0.112 0.000 1.727 790 M HN 0.198 nan 8.290 nan 0.000 0.468 791 E N 1.829 121.903 120.200 -0.210 0.000 2.210 791 E HA 0.529 4.878 4.350 -0.000 0.000 0.266 791 E C -1.723 174.705 176.600 -0.288 0.000 0.883 791 E CA -0.246 56.087 56.400 -0.112 0.000 0.761 791 E CB 2.199 31.855 29.700 -0.074 0.000 1.156 791 E HN 0.426 nan 8.360 nan 0.000 0.412 792 F N 0.918 120.853 119.950 -0.025 0.000 2.402 792 F HA 0.162 4.689 4.527 -0.000 0.000 0.355 792 F C 1.585 177.375 175.800 -0.016 0.000 1.123 792 F CA -0.516 57.463 58.000 -0.034 0.000 1.021 792 F CB 1.685 40.661 39.000 -0.039 0.000 1.160 792 F HN 0.353 nan 8.300 nan 0.000 0.451 793 T N -0.966 113.655 114.554 0.112 0.000 3.037 793 T HA 0.258 4.608 4.350 -0.000 0.000 0.252 793 T C 0.981 175.728 174.700 0.077 0.000 1.073 793 T CA 0.157 62.314 62.100 0.094 0.000 1.091 793 T CB -0.014 68.914 68.868 0.099 0.000 0.935 793 T HN 0.583 nan 8.240 nan 0.000 0.488 794 G N 1.128 109.960 108.800 0.054 0.000 2.507 794 G HA2 0.452 4.412 3.960 -0.000 0.000 0.271 794 G HA3 0.452 4.412 3.960 -0.000 0.000 0.271 794 G C -0.981 173.944 174.900 0.041 0.000 1.189 794 G CA -0.659 44.455 45.100 0.023 0.000 0.859 794 G HN 0.200 nan 8.290 nan 0.000 0.542 795 D N -0.462 119.958 120.400 0.032 0.000 2.533 795 D HA 0.152 4.792 4.640 -0.000 0.000 0.236 795 D C -0.039 176.265 176.300 0.006 0.000 1.137 795 D CA 0.327 54.342 54.000 0.025 0.000 0.867 795 D CB 1.213 42.029 40.800 0.026 0.000 1.170 795 D HN -0.062 nan 8.370 nan 0.000 0.474 796 L N 1.805 123.021 121.223 -0.012 0.000 2.329 796 L HA 0.542 4.882 4.340 -0.000 0.000 0.279 796 L C 0.577 177.417 176.870 -0.051 0.000 1.014 796 L CA -0.512 54.295 54.840 -0.054 0.000 0.814 796 L CB 1.891 43.886 42.059 -0.106 0.000 1.257 796 L HN 0.389 nan 8.230 nan 0.000 0.424 797 G N 5.095 113.861 108.800 -0.057 0.000 2.422 797 G HA2 0.629 4.589 3.960 -0.000 0.000 0.317 797 G HA3 0.629 4.589 3.960 -0.000 0.000 0.317 797 G C -0.995 173.864 174.900 -0.069 0.000 1.210 797 G CA -0.375 44.695 45.100 -0.050 0.000 0.930 797 G HN 0.464 nan 8.290 nan 0.000 0.468 798 L N 1.979 123.159 121.223 -0.070 0.000 2.322 798 L HA 0.766 5.106 4.340 -0.000 0.000 0.269 798 L C 1.157 177.994 176.870 -0.055 0.000 1.012 798 L CA -1.051 53.743 54.840 -0.076 0.000 0.815 798 L CB 1.953 43.954 42.059 -0.095 0.000 1.295 798 L HN 0.608 nan 8.230 nan 0.000 0.438 799 G N -1.562 107.214 108.800 -0.040 0.000 3.182 799 G HA2 0.078 4.037 3.960 -0.000 0.000 0.167 799 G HA3 0.078 4.037 3.960 -0.000 0.000 0.167 799 G C -0.372 174.526 174.900 -0.004 0.000 1.537 799 G CA -0.249 44.844 45.100 -0.012 0.000 1.046 799 G HN 0.616 nan 8.290 nan 0.000 0.580 800 H N -0.087 118.956 119.070 -0.046 0.000 2.929 800 H HA 0.335 4.891 4.556 -0.000 0.000 0.317 800 H C -0.885 174.415 175.328 -0.046 0.000 1.031 800 H CA 0.260 56.281 56.048 -0.044 0.000 1.466 800 H CB 0.507 30.246 29.762 -0.037 0.000 1.482 800 H HN -0.022 nan 8.280 nan 0.000 0.561 801 V N 5.259 124.986 119.914 -0.311 0.000 2.604 801 V HA 0.228 4.348 4.120 -0.000 0.000 0.305 801 V C -0.062 175.942 176.094 -0.150 0.000 1.043 801 V CA -0.750 61.468 62.300 -0.138 0.000 0.888 801 V CB 2.162 33.905 31.823 -0.134 0.000 0.995 801 V HN 0.855 nan 8.190 nan 0.000 0.429 802 T N 5.646 120.199 114.554 -0.001 0.000 2.809 802 T HA 0.532 4.882 4.350 -0.000 0.000 0.284 802 T C -0.438 174.262 174.700 -0.001 0.000 0.992 802 T CA -0.336 61.776 62.100 0.020 0.000 0.957 802 T CB 0.966 69.889 68.868 0.090 0.000 0.942 802 T HN 0.311 nan 8.240 nan 0.000 0.439 803 I N 3.983 124.545 120.570 -0.012 0.000 2.322 803 I HA 0.304 4.474 4.170 -0.000 0.000 0.292 803 I C 0.995 177.113 176.117 0.002 0.000 1.060 803 I CA -0.412 60.883 61.300 -0.008 0.000 1.309 803 I CB 0.012 38.005 38.000 -0.011 0.000 1.415 803 I HN 0.428 nan 8.210 nan 0.000 0.492 804 R N 3.514 124.017 120.500 0.005 0.000 2.577 804 R HA 0.606 4.946 4.340 -0.000 0.000 0.269 804 R C 0.184 176.488 176.300 0.006 0.000 1.084 804 R CA -0.738 55.367 56.100 0.007 0.000 1.163 804 R CB 0.866 31.171 30.300 0.008 0.000 1.100 804 R HN 0.708 nan 8.270 nan 0.000 0.547 805 A N 0.789 123.613 122.820 0.006 0.000 2.546 805 A HA 0.070 4.390 4.320 -0.000 0.000 0.243 805 A C 0.845 178.432 177.584 0.006 0.000 1.063 805 A CA 0.610 52.651 52.037 0.006 0.000 0.757 805 A CB 0.041 19.044 19.000 0.005 0.000 0.991 805 A HN 0.882 nan 8.150 nan 0.000 0.503 806 S N 0.500 116.204 115.700 0.006 0.000 2.590 806 S HA 0.185 4.655 4.470 -0.000 0.000 0.281 806 S C 0.380 174.984 174.600 0.006 0.000 1.068 806 S CA 0.586 58.790 58.200 0.006 0.000 1.193 806 S CB 0.164 63.369 63.200 0.008 0.000 1.040 806 S HN 0.692 nan 8.310 nan 0.000 0.544 807 T N 2.120 116.677 114.554 0.006 0.000 2.863 807 T HA 0.698 5.048 4.350 -0.000 0.000 0.285 807 T C -0.510 174.193 174.700 0.006 0.000 1.009 807 T CA 0.282 62.386 62.100 0.007 0.000 0.989 807 T CB 1.451 70.324 68.868 0.008 0.000 1.004 807 T HN 0.681 nan 8.240 nan 0.000 0.455 808 S N 2.537 118.241 115.700 0.006 0.000 3.681 808 S HA -0.204 4.266 4.470 -0.000 0.000 0.473 808 S C 0.696 175.299 174.600 0.004 0.000 0.830 808 S CA 0.698 58.902 58.200 0.005 0.000 1.355 808 S CB -1.750 61.453 63.200 0.005 0.000 0.892 808 S HN 1.296 nan 8.310 nan 0.000 0.649 809 S N 1.325 117.027 115.700 0.004 0.000 3.587 809 S HA -0.229 4.241 4.470 -0.000 0.000 0.337 809 S C 0.486 175.088 174.600 0.003 0.000 1.119 809 S CA 1.104 59.306 58.200 0.003 0.000 0.976 809 S CB -1.528 61.673 63.200 0.003 0.000 0.922 809 S HN 1.292 nan 8.310 nan 0.000 0.503 810 N N -1.353 117.349 118.700 0.003 0.000 2.693 810 N HA -0.228 4.512 4.740 -0.000 0.000 0.249 810 N C 0.528 176.040 175.510 0.003 0.000 1.119 810 N CA 1.117 54.169 53.050 0.003 0.000 0.717 810 N CB -1.593 36.896 38.487 0.003 0.000 1.071 810 N HN 0.767 nan 8.380 nan 0.000 0.555 811 I N -0.507 120.065 120.570 0.003 0.000 2.493 811 I HA -0.154 4.016 4.170 -0.000 0.000 0.254 811 I C 1.116 177.235 176.117 0.004 0.000 1.160 811 I CA 1.013 62.315 61.300 0.003 0.000 1.445 811 I CB 0.237 38.239 38.000 0.003 0.000 1.086 811 I HN 0.285 nan 8.210 nan 0.000 0.433 812 R N -0.191 120.312 120.500 0.004 0.000 2.795 812 R HA 0.480 4.819 4.340 -0.000 0.000 0.275 812 R C -0.651 175.652 176.300 0.005 0.000 0.981 812 R CA -0.668 55.434 56.100 0.005 0.000 0.917 812 R CB 1.220 31.523 30.300 0.005 0.000 1.202 812 R HN -0.019 nan 8.270 nan 0.000 0.469 813 S N 0.195 115.898 115.700 0.006 0.000 2.586 813 S HA 0.371 4.841 4.470 -0.000 0.000 0.274 813 S C -0.404 174.199 174.600 0.006 0.000 1.281 813 S CA -0.743 57.460 58.200 0.005 0.000 1.035 813 S CB 1.328 64.531 63.200 0.005 0.000 0.962 813 S HN 0.763 nan 8.310 nan 0.000 0.512 814 E N 1.056 121.259 120.200 0.006 0.000 2.291 814 E HA 0.535 4.885 4.350 -0.000 0.000 0.276 814 E C -2.031 174.574 176.600 0.008 0.000 0.896 814 E CA -0.774 55.631 56.400 0.008 0.000 0.774 814 E CB 1.758 31.463 29.700 0.009 0.000 1.227 814 E HN 0.539 nan 8.360 nan 0.000 0.413 815 V N 4.778 124.697 119.914 0.009 0.000 2.487 815 V HA 0.446 4.566 4.120 -0.000 0.000 0.298 815 V C -0.893 175.209 176.094 0.014 0.000 1.028 815 V CA -0.836 61.469 62.300 0.009 0.000 0.860 815 V CB 1.359 33.186 31.823 0.006 0.000 0.991 815 V HN 0.614 nan 8.190 nan 0.000 0.427 816 L N 5.508 126.741 121.223 0.016 0.000 2.317 816 L HA 0.644 4.984 4.340 -0.000 0.000 0.281 816 L C -0.081 176.803 176.870 0.023 0.000 1.024 816 L CA -0.325 54.527 54.840 0.020 0.000 0.810 816 L CB 1.720 43.791 42.059 0.021 0.000 1.240 816 L HN 0.567 nan 8.230 nan 0.000 0.427 817 M N 2.756 122.372 119.600 0.027 0.000 2.227 817 M HA 0.423 4.903 4.480 -0.000 0.000 0.335 817 M C 0.016 176.334 176.300 0.029 0.000 1.053 817 M CA -0.416 54.901 55.300 0.029 0.000 0.973 817 M CB 1.938 34.560 32.600 0.037 0.000 1.623 817 M HN 0.563 nan 8.290 nan 0.000 0.434 818 E N 0.972 121.185 120.200 0.021 0.000 2.961 818 E HA 0.777 5.127 4.350 -0.000 0.000 0.254 818 E C 0.297 176.898 176.600 0.002 0.000 1.192 818 E CA -0.400 56.011 56.400 0.018 0.000 1.069 818 E CB 1.060 30.772 29.700 0.020 0.000 1.338 818 E HN 0.862 nan 8.360 nan 0.000 0.596 819 G N 0.726 109.525 108.800 -0.001 0.000 2.782 819 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.228 819 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.228 819 G C 0.511 175.417 174.900 0.010 0.000 1.372 819 G CA 0.304 45.389 45.100 -0.024 0.000 0.862 819 G HN 0.688 nan 8.290 nan 0.000 0.547 820 E N -1.011 119.201 120.200 0.019 0.000 2.077 820 E HA 0.006 4.355 4.350 -0.000 0.000 0.193 820 E C 0.909 177.648 176.600 0.232 0.000 0.989 820 E CA 1.813 58.288 56.400 0.127 0.000 0.800 820 E CB -0.051 29.766 29.700 0.194 0.000 0.746 820 E HN 0.917 nan 8.360 nan 0.000 0.452 821 Y N -2.775 117.556 120.300 0.052 0.000 2.597 821 Y HA 0.677 5.227 4.550 -0.000 0.000 0.340 821 Y C -0.192 175.758 175.900 0.084 0.000 1.097 821 Y CA -1.093 57.046 58.100 0.065 0.000 1.037 821 Y CB 0.881 39.383 38.460 0.070 0.000 1.305 821 Y HN -0.123 nan 8.280 nan 0.000 0.463 822 G N 1.048 109.981 108.800 0.222 0.000 2.389 822 G HA2 0.520 4.480 3.960 -0.000 0.000 0.317 822 G HA3 0.520 4.480 3.960 -0.000 0.000 0.317 822 G C -2.248 172.849 174.900 0.329 0.000 1.137 822 G CA -0.731 44.461 45.100 0.153 0.000 0.870 822 G HN 0.766 nan 8.290 nan 0.000 0.496 823 F N 2.184 122.191 119.950 0.096 0.000 2.507 823 F HA 0.628 5.155 4.527 -0.000 0.000 0.328 823 F C -0.576 175.277 175.800 0.089 0.000 1.136 823 F CA -1.138 56.943 58.000 0.136 0.000 0.930 823 F CB 1.423 40.514 39.000 0.151 0.000 1.166 823 F HN 0.213 nan 8.300 nan 0.000 0.436 824 I N 6.397 126.662 120.570 -0.509 0.000 2.382 824 I HA 0.555 4.725 4.170 -0.000 0.000 0.285 824 I C 0.181 175.816 176.117 -0.803 0.000 1.007 824 I CA -0.459 60.555 61.300 -0.477 0.000 1.142 824 I CB 1.170 39.096 38.000 -0.122 0.000 1.289 824 I HN 0.746 nan 8.210 nan 0.000 0.453 825 G N 4.612 112.933 108.800 -0.798 0.000 2.798 825 G HA2 0.658 4.617 3.960 -0.000 0.000 0.286 825 G HA3 0.658 4.617 3.960 -0.000 0.000 0.286 825 G C -1.575 173.226 174.900 -0.164 0.000 1.389 825 G CA -0.553 44.215 45.100 -0.553 0.000 0.894 825 G HN 0.384 nan 8.290 nan 0.000 0.488 826 K N 0.386 120.762 120.400 -0.041 0.000 2.579 826 K HA 0.525 4.845 4.320 -0.000 0.000 0.250 826 K C 0.431 177.042 176.600 0.019 0.000 0.952 826 K CA -0.391 55.875 56.287 -0.034 0.000 0.857 826 K CB 1.180 33.641 32.500 -0.065 0.000 1.123 826 K HN 0.780 nan 8.250 nan 0.000 0.433 827 S N 4.010 119.718 115.700 0.014 0.000 2.559 827 S HA 0.117 4.587 4.470 -0.000 0.000 0.282 827 S C 0.590 175.198 174.600 0.013 0.000 1.336 827 S CA -0.437 57.778 58.200 0.025 0.000 1.037 827 S CB -0.008 63.199 63.200 0.012 0.000 0.853 827 S HN 0.576 nan 8.310 nan 0.000 0.523 828 I N 3.188 123.771 120.570 0.021 0.000 2.581 828 I HA 0.162 4.332 4.170 -0.000 0.000 0.285 828 I C -1.935 174.184 176.117 0.003 0.000 1.129 828 I CA -1.681 59.627 61.300 0.014 0.000 1.397 828 I CB -0.088 37.923 38.000 0.019 0.000 1.399 828 I HN 0.512 nan 8.210 nan 0.000 0.537 829 P HA 0.050 nan 4.420 nan 0.000 0.268 829 P C 0.575 177.872 177.300 -0.005 0.000 1.205 829 P CA -0.019 63.074 63.100 -0.011 0.000 0.771 829 P CB 0.663 32.351 31.700 -0.019 0.000 0.858 830 T N 0.083 114.633 114.554 -0.006 0.000 2.732 830 T HA -0.093 4.256 4.350 -0.000 0.000 0.261 830 T C 1.030 175.728 174.700 -0.003 0.000 1.040 830 T CA 1.437 63.535 62.100 -0.003 0.000 1.145 830 T CB -0.380 68.485 68.868 -0.004 0.000 0.866 830 T HN 0.454 nan 8.240 nan 0.000 0.427 831 D N 0.557 120.953 120.400 -0.006 0.000 2.259 831 D HA 0.042 4.682 4.640 -0.000 0.000 0.216 831 D C 1.045 177.342 176.300 -0.004 0.000 0.961 831 D CA 0.658 54.655 54.000 -0.005 0.000 0.878 831 D CB 0.022 40.818 40.800 -0.006 0.000 1.009 831 D HN 0.335 nan 8.370 nan 0.000 0.490 832 N N 0.561 119.258 118.700 -0.006 0.000 2.791 832 N HA 0.111 4.851 4.740 -0.000 0.000 0.265 832 N C -2.198 173.310 175.510 -0.004 0.000 1.580 832 N CA -1.426 51.621 53.050 -0.004 0.000 0.809 832 N CB 1.568 40.051 38.487 -0.006 0.000 1.178 832 N HN -0.241 nan 8.380 nan 0.000 0.499 833 P HA -0.059 nan 4.420 nan 0.000 0.219 833 P C 1.056 178.362 177.300 0.010 0.000 1.146 833 P CA 0.727 63.830 63.100 0.004 0.000 0.808 833 P CB 0.179 31.884 31.700 0.008 0.000 0.779 834 A N -0.249 122.579 122.820 0.015 0.000 2.216 834 A HA 0.086 4.406 4.320 -0.000 0.000 0.214 834 A C 2.161 179.764 177.584 0.032 0.000 1.160 834 A CA 1.436 53.489 52.037 0.027 0.000 0.725 834 A CB -1.427 17.588 19.000 0.025 0.000 0.784 834 A HN 0.320 nan 8.150 nan 0.000 0.472 835 G N -1.573 107.231 108.800 0.007 0.000 3.020 835 G HA2 0.140 4.100 3.960 -0.000 0.000 0.217 835 G HA3 0.140 4.100 3.960 -0.000 0.000 0.217 835 G C 0.592 175.456 174.900 -0.060 0.000 1.144 835 G CA -0.027 45.063 45.100 -0.017 0.000 0.760 835 G HN 0.555 nan 8.290 nan 0.000 0.548 836 Q N 1.364 121.141 119.800 -0.038 0.000 2.478 836 Q HA 0.116 4.456 4.340 -0.000 0.000 0.323 836 Q C 0.241 176.167 176.000 -0.124 0.000 1.087 836 Q CA 0.564 56.331 55.803 -0.059 0.000 1.056 836 Q CB 0.081 28.811 28.738 -0.014 0.000 1.018 836 Q HN 0.629 nan 8.270 nan 0.000 0.387 837 R N 2.777 123.166 120.500 -0.185 0.000 2.765 837 R HA 0.486 4.826 4.340 -0.000 0.000 0.277 837 R C -1.544 174.590 176.300 -0.276 0.000 1.028 837 R CA -0.910 55.016 56.100 -0.290 0.000 0.860 837 R CB 0.700 30.656 30.300 -0.574 0.000 1.270 837 R HN 0.419 nan 8.270 nan 0.000 0.484 838 I N 2.172 122.555 120.570 -0.313 0.000 2.433 838 I HA 0.423 4.593 4.170 -0.000 0.000 0.292 838 I C -0.160 175.638 176.117 -0.531 0.000 1.001 838 I CA -1.166 59.855 61.300 -0.465 0.000 1.119 838 I CB 2.071 39.698 38.000 -0.622 0.000 1.289 838 I HN 0.414 nan 8.210 nan 0.000 0.438 839 I N 5.981 126.252 120.570 -0.499 0.000 2.304 839 I HA 0.296 4.466 4.170 -0.000 0.000 0.291 839 I C -0.805 175.031 176.117 -0.468 0.000 1.018 839 I CA -0.350 60.737 61.300 -0.354 0.000 1.260 839 I CB 0.545 38.421 38.000 -0.207 0.000 1.390 839 I HN 0.308 nan 8.210 nan 0.000 0.475 840 F N 5.534 125.449 119.950 -0.059 0.000 2.408 840 F HA 0.482 5.009 4.527 -0.000 0.000 0.344 840 F C 0.303 176.087 175.800 -0.026 0.000 1.112 840 F CA -0.571 57.403 58.000 -0.043 0.000 1.096 840 F CB 1.396 40.375 39.000 -0.035 0.000 1.129 840 F HN 0.393 nan 8.300 nan 0.000 0.486 841 C N 2.020 121.393 119.300 0.121 0.000 2.686 841 C HA 0.644 5.104 4.460 -0.000 0.000 0.318 841 C C 1.136 176.158 174.990 0.054 0.000 1.160 841 C CA -0.400 58.658 59.018 0.067 0.000 1.396 841 C CB 0.838 28.590 27.740 0.021 0.000 1.924 841 C HN 1.031 nan 8.230 nan 0.000 0.471 842 G N 2.691 111.517 108.800 0.043 0.000 2.920 842 G HA2 0.452 4.412 3.960 -0.000 0.000 0.208 842 G HA3 0.452 4.412 3.960 -0.000 0.000 0.208 842 G C 0.589 175.500 174.900 0.017 0.000 1.159 842 G CA 0.791 45.908 45.100 0.028 0.000 0.784 842 G HN 1.204 nan 8.290 nan 0.000 0.535 843 G N -0.447 108.363 108.800 0.017 0.000 3.140 843 G HA2 0.468 4.428 3.960 -0.000 0.000 0.271 843 G HA3 0.468 4.428 3.960 -0.000 0.000 0.271 843 G C 0.535 175.440 174.900 0.009 0.000 1.370 843 G CA 0.133 45.239 45.100 0.011 0.000 1.014 843 G HN 0.170 nan 8.290 nan 0.000 0.541 844 E N -1.413 118.791 120.200 0.008 0.000 2.371 844 E HA 0.263 4.612 4.350 -0.000 0.000 0.194 844 E C 0.954 177.559 176.600 0.008 0.000 1.012 844 E CA 0.469 56.875 56.400 0.009 0.000 0.860 844 E CB 0.256 29.962 29.700 0.010 0.000 0.811 844 E HN 0.525 nan 8.360 nan 0.000 0.502 845 G N 0.155 108.957 108.800 0.003 0.000 2.730 845 G HA2 0.280 4.240 3.960 -0.000 0.000 0.289 845 G HA3 0.280 4.240 3.960 -0.000 0.000 0.289 845 G C 0.496 175.391 174.900 -0.008 0.000 1.341 845 G CA -0.022 45.078 45.100 -0.001 0.000 0.932 845 G HN 0.044 nan 8.290 nan 0.000 0.481 846 T N -2.435 112.111 114.554 -0.014 0.000 3.035 846 T HA 0.045 4.395 4.350 -0.000 0.000 0.268 846 T C 1.462 176.155 174.700 -0.012 0.000 1.109 846 T CA 1.092 63.177 62.100 -0.024 0.000 1.119 846 T CB -0.071 68.777 68.868 -0.034 0.000 0.900 846 T HN 0.538 nan 8.240 nan 0.000 0.503 847 S N 1.709 117.407 115.700 -0.004 0.000 2.531 847 S HA 0.258 4.728 4.470 -0.000 0.000 0.279 847 S C 1.590 176.195 174.600 0.009 0.000 1.305 847 S CA -0.115 58.088 58.200 0.004 0.000 1.058 847 S CB 0.569 63.771 63.200 0.005 0.000 0.899 847 S HN 0.586 nan 8.310 nan 0.000 0.493 848 S N 3.708 119.419 115.700 0.017 0.000 2.465 848 S HA -0.114 4.356 4.470 -0.000 0.000 0.241 848 S C 1.738 176.349 174.600 0.019 0.000 1.000 848 S CA 1.479 59.694 58.200 0.025 0.000 0.964 848 S CB -0.854 62.369 63.200 0.038 0.000 0.763 848 S HN 0.766 nan 8.310 nan 0.000 0.512 849 T N 2.651 117.214 114.554 0.015 0.000 2.778 849 T HA -0.116 4.233 4.350 -0.000 0.000 0.269 849 T C 2.056 176.761 174.700 0.007 0.000 1.050 849 T CA 2.004 64.110 62.100 0.010 0.000 1.137 849 T CB -0.796 68.078 68.868 0.009 0.000 0.860 849 T HN 0.916 nan 8.240 nan 0.000 0.468 850 T N -1.948 112.610 114.554 0.008 0.000 3.067 850 T HA 0.486 4.836 4.350 -0.000 0.000 0.257 850 T C 0.834 175.538 174.700 0.007 0.000 1.105 850 T CA 0.434 62.537 62.100 0.006 0.000 1.104 850 T CB 0.407 69.278 68.868 0.005 0.000 0.925 850 T HN 0.481 nan 8.240 nan 0.000 0.498 851 G N 0.084 108.890 108.800 0.009 0.000 2.328 851 G HA2 0.532 4.492 3.960 -0.000 0.000 0.295 851 G HA3 0.532 4.492 3.960 -0.000 0.000 0.295 851 G C -1.069 173.841 174.900 0.016 0.000 1.413 851 G CA -0.587 44.519 45.100 0.009 0.000 0.817 851 G HN 0.478 nan 8.290 nan 0.000 0.546 852 A N -0.424 122.404 122.820 0.013 0.000 2.466 852 A HA 0.630 4.950 4.320 -0.000 0.000 0.238 852 A C 0.313 177.932 177.584 0.057 0.000 1.074 852 A CA 0.468 52.520 52.037 0.024 0.000 0.774 852 A CB 0.289 19.290 19.000 0.003 0.000 1.015 852 A HN 0.680 nan 8.150 nan 0.000 0.498 853 Q N 0.118 119.970 119.800 0.088 0.000 2.359 853 Q HA 0.621 4.961 4.340 -0.000 0.000 0.274 853 Q C -1.536 174.549 176.000 0.142 0.000 1.074 853 Q CA -0.414 55.453 55.803 0.106 0.000 0.810 853 Q CB 2.513 31.298 28.738 0.078 0.000 1.342 853 Q HN 0.699 nan 8.270 nan 0.000 0.427 854 I N 1.284 121.949 120.570 0.158 0.000 2.436 854 I HA 0.384 4.554 4.170 -0.000 0.000 0.289 854 I C -0.693 175.525 176.117 0.168 0.000 1.010 854 I CA -0.521 60.848 61.300 0.115 0.000 1.098 854 I CB 2.340 40.391 38.000 0.084 0.000 1.266 854 I HN 0.463 nan 8.210 nan 0.000 0.434 855 T N 7.038 121.633 114.554 0.068 0.000 2.786 855 T HA 0.518 4.868 4.350 -0.000 0.000 0.283 855 T C -0.255 174.497 174.700 0.088 0.000 0.992 855 T CA -0.474 61.652 62.100 0.044 0.000 0.954 855 T CB 0.956 69.834 68.868 0.017 0.000 0.934 855 T HN 0.264 nan 8.240 nan 0.000 0.440 856 L N 4.088 125.357 121.223 0.076 0.000 2.257 856 L HA 0.458 4.797 4.340 -0.000 0.000 0.290 856 L C -0.638 176.252 176.870 0.033 0.000 1.044 856 L CA -0.929 53.983 54.840 0.120 0.000 0.810 856 L CB 0.429 42.594 42.059 0.178 0.000 1.193 856 L HN 0.644 nan 8.230 nan 0.000 0.425 857 Y N 1.336 121.631 120.300 -0.008 0.000 2.313 857 Y HA 0.366 4.915 4.550 -0.000 0.000 0.332 857 Y C 1.256 177.160 175.900 0.007 0.000 1.071 857 Y CA -0.412 57.683 58.100 -0.008 0.000 1.169 857 Y CB 1.545 39.999 38.460 -0.010 0.000 1.192 857 Y HN 0.655 nan 8.280 nan 0.000 0.487 858 G N 0.855 109.714 108.800 0.099 0.000 2.636 858 G HA2 0.273 4.232 3.960 -0.000 0.000 0.246 858 G HA3 0.273 4.232 3.960 -0.000 0.000 0.246 858 G C 0.840 175.797 174.900 0.094 0.000 1.216 858 G CA -0.036 45.111 45.100 0.079 0.000 0.854 858 G HN 0.891 nan 8.290 nan 0.000 0.572 859 A N 0.763 123.626 122.820 0.072 0.000 2.019 859 A HA -0.105 4.214 4.320 -0.000 0.000 0.219 859 A C 2.126 179.741 177.584 0.052 0.000 1.164 859 A CA 1.808 53.880 52.037 0.059 0.000 0.644 859 A CB -0.379 18.650 19.000 0.047 0.000 0.805 859 A HN 0.661 nan 8.150 nan 0.000 0.449 860 N N 0.173 118.902 118.700 0.050 0.000 2.457 860 N HA -0.036 4.704 4.740 -0.000 0.000 0.180 860 N C 0.689 176.228 175.510 0.050 0.000 1.050 860 N CA 0.067 53.141 53.050 0.041 0.000 0.906 860 N CB -0.126 38.379 38.487 0.031 0.000 0.968 860 N HN 0.438 nan 8.380 nan 0.000 0.445 861 N N 0.494 119.240 118.700 0.076 0.000 2.441 861 N HA -0.027 4.713 4.740 -0.000 0.000 0.251 861 N C 0.715 176.278 175.510 0.088 0.000 1.242 861 N CA 0.453 53.567 53.050 0.107 0.000 0.898 861 N CB 0.750 39.368 38.487 0.219 0.000 1.100 861 N HN 0.034 nan 8.380 nan 0.000 0.443 862 T N 0.961 115.563 114.554 0.080 0.000 2.649 862 T HA -0.184 4.166 4.350 -0.000 0.000 0.268 862 T C -0.021 174.699 174.700 0.032 0.000 1.036 862 T CA 1.350 63.480 62.100 0.051 0.000 1.157 862 T CB -0.167 68.730 68.868 0.049 0.000 0.861 862 T HN 0.539 nan 8.240 nan 0.000 0.445 863 D N 2.186 122.609 120.400 0.038 0.000 2.563 863 D HA 0.236 4.876 4.640 -0.000 0.000 0.222 863 D C -0.356 175.925 176.300 -0.031 0.000 1.145 863 D CA 0.051 54.010 54.000 -0.067 0.000 1.001 863 D CB 0.393 41.046 40.800 -0.244 0.000 1.049 863 D HN 0.107 nan 8.370 nan 0.000 0.515 864 S N 1.340 117.045 115.700 0.008 0.000 2.555 864 S HA -0.070 4.400 4.470 -0.000 0.000 0.293 864 S C 0.946 175.564 174.600 0.030 0.000 1.248 864 S CA 0.016 58.239 58.200 0.038 0.000 1.096 864 S CB -0.085 63.130 63.200 0.025 0.000 0.881 864 S HN 0.449 nan 8.310 nan 0.000 0.498 865 R N 0.735 121.281 120.500 0.077 0.000 3.758 865 R HA -0.192 4.148 4.340 -0.000 0.000 0.299 865 R C 0.244 176.569 176.300 0.042 0.000 1.182 865 R CA 0.857 57.002 56.100 0.075 0.000 0.809 865 R CB -1.656 28.672 30.300 0.047 0.000 1.249 865 R HN 0.724 nan 8.270 nan 0.000 0.497 866 R N 1.546 122.033 120.500 -0.021 0.000 2.594 866 R HA 0.341 4.681 4.340 -0.000 0.000 0.272 866 R C -0.143 176.146 176.300 -0.019 0.000 1.074 866 R CA 0.097 56.098 56.100 -0.165 0.000 1.105 866 R CB 0.539 30.490 30.300 -0.580 0.000 1.008 866 R HN 0.195 nan 8.270 nan 0.000 0.472 867 I N 3.978 124.523 120.570 -0.041 0.000 2.465 867 I HA 0.286 4.456 4.170 -0.000 0.000 0.291 867 I C -0.805 175.222 176.117 -0.151 0.000 1.014 867 I CA -1.172 60.070 61.300 -0.096 0.000 1.093 867 I CB 2.240 40.107 38.000 -0.222 0.000 1.267 867 I HN 0.313 nan 8.210 nan 0.000 0.431 868 V N 6.568 126.408 119.914 -0.123 0.000 2.378 868 V HA 0.352 4.471 4.120 -0.000 0.000 0.288 868 V C -1.034 175.021 176.094 -0.065 0.000 1.016 868 V CA -0.583 61.710 62.300 -0.012 0.000 0.840 868 V CB 1.250 33.140 31.823 0.111 0.000 0.994 868 V HN 0.430 nan 8.190 nan 0.000 0.431 869 Y N 3.470 123.847 120.300 0.128 0.000 2.353 869 Y HA 0.436 4.985 4.550 -0.000 0.000 0.340 869 Y C 0.541 176.628 175.900 0.312 0.000 0.972 869 Y CA -0.315 57.894 58.100 0.182 0.000 1.157 869 Y CB 1.050 39.548 38.460 0.063 0.000 1.157 869 Y HN 0.617 nan 8.280 nan 0.000 0.495 870 N N 2.668 121.612 118.700 0.406 0.000 2.573 870 N HA 0.600 5.340 4.740 -0.000 0.000 0.262 870 N C -0.775 174.817 175.510 0.136 0.000 1.029 870 N CA -0.248 52.971 53.050 0.282 0.000 0.882 870 N CB 0.788 39.378 38.487 0.172 0.000 1.204 870 N HN 0.905 nan 8.380 nan 0.000 0.519 871 G N 1.062 109.835 108.800 -0.044 0.000 2.766 871 G HA2 0.189 4.149 3.960 -0.000 0.000 0.288 871 G HA3 0.189 4.149 3.960 -0.000 0.000 0.288 871 G C -0.428 174.346 174.900 -0.210 0.000 1.408 871 G CA -0.340 44.644 45.100 -0.192 0.000 0.852 871 G HN 0.436 nan 8.290 nan 0.000 0.487 872 D N -0.303 120.005 120.400 -0.153 0.000 2.350 872 D HA 0.171 4.810 4.640 -0.000 0.000 0.213 872 D C 0.262 176.484 176.300 -0.130 0.000 1.031 872 D CA 0.761 54.698 54.000 -0.104 0.000 0.861 872 D CB 0.800 41.568 40.800 -0.053 0.000 0.926 872 D HN 0.521 nan 8.370 nan 0.000 0.520 873 E N -0.360 119.713 120.200 -0.212 0.000 2.356 873 E HA 0.296 4.646 4.350 -0.000 0.000 0.275 873 E C -0.773 175.621 176.600 -0.344 0.000 0.904 873 E CA -0.683 55.602 56.400 -0.191 0.000 0.757 873 E CB 2.022 31.661 29.700 -0.103 0.000 1.232 873 E HN 0.022 nan 8.360 nan 0.000 0.442 874 H N 2.322 121.378 119.070 -0.024 0.000 2.718 874 H HA 0.353 4.909 4.556 -0.000 0.000 0.295 874 H C -0.878 174.367 175.328 -0.139 0.000 1.051 874 H CA -0.392 55.598 56.048 -0.097 0.000 1.260 874 H CB 0.530 30.296 29.762 0.006 0.000 1.403 874 H HN 0.279 nan 8.280 nan 0.000 0.488 875 L N 4.037 125.162 121.223 -0.164 0.000 2.325 875 L HA 0.338 4.678 4.340 -0.000 0.000 0.281 875 L C -0.495 176.219 176.870 -0.260 0.000 1.004 875 L CA -0.692 54.081 54.840 -0.112 0.000 0.823 875 L CB 1.186 43.204 42.059 -0.068 0.000 1.236 875 L HN 0.354 nan 8.230 nan 0.000 0.415 876 F N 2.397 122.349 119.950 0.003 0.000 2.350 876 F HA 0.360 4.887 4.527 -0.000 0.000 0.365 876 F C 0.529 176.324 175.800 -0.009 0.000 1.122 876 F CA -0.192 57.803 58.000 -0.009 0.000 1.139 876 F CB 1.208 40.191 39.000 -0.028 0.000 1.220 876 F HN 0.475 nan 8.300 nan 0.000 0.499 877 Q N 1.464 121.320 119.800 0.094 0.000 2.235 877 Q HA 0.416 4.756 4.340 -0.000 0.000 0.256 877 Q C 0.610 176.649 176.000 0.065 0.000 0.951 877 Q CA -0.065 55.772 55.803 0.058 0.000 0.890 877 Q CB 1.443 30.190 28.738 0.016 0.000 1.279 877 Q HN 0.821 nan 8.270 nan 0.000 0.444 878 S N -0.728 114.999 115.700 0.046 0.000 2.361 878 S HA -0.257 4.213 4.470 -0.000 0.000 0.247 878 S C -0.381 174.239 174.600 0.035 0.000 1.218 878 S CA 1.057 59.278 58.200 0.035 0.000 1.502 878 S CB -1.467 61.751 63.200 0.030 0.000 1.893 878 S HN 0.964 nan 8.310 nan 0.000 0.610 879 A N 0.454 123.303 122.820 0.048 0.000 2.606 879 A HA 0.620 4.940 4.320 -0.000 0.000 0.293 879 A C -1.344 176.253 177.584 0.023 0.000 1.082 879 A CA -0.685 51.371 52.037 0.032 0.000 0.685 879 A CB 0.881 19.902 19.000 0.034 0.000 1.284 879 A HN 0.075 nan 8.150 nan 0.000 0.408 880 D N 0.432 120.827 120.400 -0.009 0.000 2.400 880 D HA 0.289 4.929 4.640 -0.000 0.000 0.238 880 D C -0.084 176.165 176.300 -0.086 0.000 1.157 880 D CA 0.393 54.367 54.000 -0.042 0.000 0.889 880 D CB 0.944 41.715 40.800 -0.048 0.000 1.199 880 D HN 0.165 nan 8.370 nan 0.000 0.436 881 V N 3.127 122.945 119.914 -0.160 0.000 2.368 881 V HA 0.185 4.304 4.120 -0.000 0.000 0.266 881 V C 0.564 176.534 176.094 -0.206 0.000 1.045 881 V CA -0.043 62.081 62.300 -0.293 0.000 0.899 881 V CB 0.388 31.894 31.823 -0.529 0.000 1.006 881 V HN 0.299 nan 8.190 nan 0.000 0.470 882 K N 5.133 125.439 120.400 -0.157 0.000 2.443 882 K HA 0.651 4.971 4.320 -0.000 0.000 0.251 882 K C -2.514 174.047 176.600 -0.065 0.000 0.972 882 K CA -1.588 54.641 56.287 -0.098 0.000 0.833 882 K CB 2.440 34.897 32.500 -0.073 0.000 1.317 882 K HN 0.466 nan 8.250 nan 0.000 0.441 883 P HA 0.104 nan 4.420 nan 0.000 0.281 883 P C 0.048 177.378 177.300 0.049 0.000 1.249 883 P CA -0.349 62.762 63.100 0.018 0.000 0.810 883 P CB 0.612 32.322 31.700 0.016 0.000 1.008 884 Y N 2.371 122.661 120.300 -0.017 0.000 2.145 884 Y HA -0.164 4.386 4.550 -0.000 0.000 0.286 884 Y C 0.705 176.600 175.900 -0.009 0.000 1.145 884 Y CA 1.559 59.654 58.100 -0.009 0.000 1.148 884 Y CB -0.035 38.425 38.460 0.000 0.000 0.981 884 Y HN 0.444 nan 8.280 nan 0.000 0.507 885 N N -0.292 118.502 118.700 0.157 0.000 2.502 885 N HA 0.161 4.900 4.740 -0.000 0.000 0.280 885 N C -1.673 173.848 175.510 0.018 0.000 1.223 885 N CA -0.668 52.425 53.050 0.072 0.000 0.966 885 N CB 0.728 39.297 38.487 0.137 0.000 1.203 885 N HN -0.007 nan 8.380 nan 0.000 0.565 886 D N 0.231 120.633 120.400 0.003 0.000 2.274 886 D HA 0.195 4.835 4.640 -0.000 0.000 0.239 886 D C -0.540 175.762 176.300 0.003 0.000 1.104 886 D CA -0.078 53.917 54.000 -0.008 0.000 0.840 886 D CB 0.177 40.966 40.800 -0.018 0.000 1.100 886 D HN 0.485 nan 8.370 nan 0.000 0.477 887 N N 3.054 121.755 118.700 0.001 0.000 2.727 887 N HA -0.179 4.561 4.740 -0.000 0.000 0.249 887 N C -0.359 175.158 175.510 0.011 0.000 1.048 887 N CA 0.892 53.944 53.050 0.004 0.000 0.714 887 N CB -0.985 37.502 38.487 0.000 0.000 0.959 887 N HN 0.261 nan 8.380 nan 0.000 0.544 888 V N -1.712 118.213 119.914 0.018 0.000 3.250 888 V HA 0.200 4.320 4.120 -0.000 0.000 0.240 888 V C 1.043 177.152 176.094 0.024 0.000 1.275 888 V CA 1.457 63.771 62.300 0.024 0.000 1.206 888 V CB 0.737 32.581 31.823 0.036 0.000 0.976 888 V HN 0.614 nan 8.190 nan 0.000 0.467 889 T N -1.130 113.440 114.554 0.027 0.000 2.942 889 T HA 0.865 5.215 4.350 -0.000 0.000 0.289 889 T C -0.353 174.360 174.700 0.022 0.000 1.044 889 T CA -0.110 62.005 62.100 0.026 0.000 1.023 889 T CB 2.427 71.315 68.868 0.033 0.000 1.123 889 T HN 0.322 nan 8.240 nan 0.000 0.512 890 A N 0.802 123.639 122.820 0.028 0.000 2.309 890 A HA 0.827 5.146 4.320 -0.000 0.000 0.317 890 A C -0.726 176.895 177.584 0.061 0.000 1.134 890 A CA -1.115 50.943 52.037 0.036 0.000 0.866 890 A CB 0.807 19.828 19.000 0.035 0.000 1.329 890 A HN 0.866 nan 8.150 nan 0.000 0.477 891 L N 1.449 122.725 121.223 0.087 0.000 2.272 891 L HA 0.576 4.915 4.340 -0.000 0.000 0.289 891 L C 0.932 177.968 176.870 0.276 0.000 1.032 891 L CA 0.504 55.456 54.840 0.186 0.000 0.810 891 L CB 0.819 42.937 42.059 0.098 0.000 1.205 891 L HN 1.348 nan 8.230 nan 0.000 0.422 892 G N 2.708 111.702 108.800 0.323 0.000 2.750 892 G HA2 0.117 4.076 3.960 -0.000 0.000 0.228 892 G HA3 0.117 4.076 3.960 -0.000 0.000 0.228 892 G C -0.245 174.644 174.900 -0.017 0.000 1.367 892 G CA -0.416 44.688 45.100 0.006 0.000 0.871 892 G HN 1.084 nan 8.290 nan 0.000 0.560 893 G N -2.467 106.288 108.800 -0.075 0.000 2.608 893 G HA2 0.760 4.719 3.960 -0.000 0.000 0.291 893 G HA3 0.760 4.719 3.960 -0.000 0.000 0.291 893 G C -1.980 172.889 174.900 -0.052 0.000 1.425 893 G CA 0.347 45.419 45.100 -0.046 0.000 0.787 893 G HN 0.609 nan 8.290 nan 0.000 0.484 894 P HA 0.020 nan 4.420 nan 0.000 0.220 894 P C 1.392 178.668 177.300 -0.039 0.000 1.148 894 P CA 1.305 64.387 63.100 -0.029 0.000 0.803 894 P CB 0.328 32.016 31.700 -0.020 0.000 0.782 895 S N -1.805 113.866 115.700 -0.049 0.000 2.554 895 S HA 0.166 4.636 4.470 -0.000 0.000 0.226 895 S C 0.268 174.820 174.600 -0.079 0.000 0.980 895 S CA -0.187 57.981 58.200 -0.053 0.000 0.939 895 S CB -0.443 62.732 63.200 -0.042 0.000 0.832 895 S HN 0.183 nan 8.310 nan 0.000 0.486 896 N N 1.919 120.550 118.700 -0.116 0.000 2.726 896 N HA 0.226 4.966 4.740 -0.000 0.000 0.253 896 N C -1.075 174.258 175.510 -0.294 0.000 1.530 896 N CA -0.360 52.572 53.050 -0.196 0.000 0.772 896 N CB 0.883 39.251 38.487 -0.198 0.000 1.220 896 N HN 0.094 nan 8.380 nan 0.000 0.508 897 R N 0.662 121.034 120.500 -0.213 0.000 2.308 897 R HA 0.359 4.699 4.340 -0.000 0.000 0.305 897 R C -0.451 175.724 176.300 -0.209 0.000 1.053 897 R CA -0.511 55.489 56.100 -0.166 0.000 0.957 897 R CB 0.984 31.252 30.300 -0.054 0.000 1.022 897 R HN 0.201 nan 8.270 nan 0.000 0.461 898 F N 0.799 120.757 119.950 0.014 0.000 2.471 898 F HA -0.045 4.482 4.527 -0.000 0.000 0.353 898 F C 2.245 178.061 175.800 0.026 0.000 1.113 898 F CA 0.153 58.169 58.000 0.027 0.000 1.262 898 F CB 0.949 39.964 39.000 0.025 0.000 1.146 898 F HN 0.650 nan 8.300 nan 0.000 0.578 899 T N -2.006 112.682 114.554 0.224 0.000 2.833 899 T HA -0.046 4.303 4.350 -0.000 0.000 0.269 899 T C 0.722 175.479 174.700 0.095 0.000 1.054 899 T CA 1.506 63.685 62.100 0.132 0.000 1.135 899 T CB -0.114 68.830 68.868 0.127 0.000 0.869 899 T HN 0.720 nan 8.240 nan 0.000 0.466 900 T N -0.774 113.844 114.554 0.106 0.000 2.660 900 T HA 0.539 4.888 4.350 -0.000 0.000 0.299 900 T C -2.347 172.334 174.700 -0.032 0.000 1.763 900 T CA -0.279 61.810 62.100 -0.018 0.000 0.959 900 T CB 0.800 69.572 68.868 -0.159 0.000 1.935 900 T HN 0.739 nan 8.240 nan 0.000 0.470 901 A N 1.288 124.022 122.820 -0.144 0.000 2.359 901 A HA 0.729 5.049 4.320 -0.000 0.000 0.303 901 A C -1.823 175.659 177.584 -0.170 0.000 1.066 901 A CA -0.454 51.527 52.037 -0.093 0.000 0.730 901 A CB 0.692 19.645 19.000 -0.078 0.000 1.211 901 A HN 0.675 nan 8.150 nan 0.000 0.439 902 Y N 2.778 123.059 120.300 -0.032 0.000 2.504 902 Y HA 0.505 5.055 4.550 -0.000 0.000 0.351 902 Y C 0.105 175.989 175.900 -0.026 0.000 0.988 902 Y CA 0.179 58.267 58.100 -0.020 0.000 1.239 902 Y CB 0.570 39.023 38.460 -0.012 0.000 1.128 902 Y HN 0.503 nan 8.280 nan 0.000 0.525 903 L N 1.100 122.357 121.223 0.056 0.000 2.341 903 L HA 0.607 4.947 4.340 -0.000 0.000 0.267 903 L C 1.130 178.016 176.870 0.026 0.000 1.009 903 L CA -0.861 53.994 54.840 0.025 0.000 0.819 903 L CB 2.089 44.141 42.059 -0.012 0.000 1.323 903 L HN 0.675 nan 8.230 nan 0.000 0.425 904 G N -0.035 108.776 108.800 0.018 0.000 3.042 904 G HA2 0.202 4.162 3.960 -0.000 0.000 0.212 904 G HA3 0.202 4.162 3.960 -0.000 0.000 0.212 904 G C 0.260 175.163 174.900 0.005 0.000 1.166 904 G CA 0.629 45.738 45.100 0.016 0.000 0.767 904 G HN 0.601 nan 8.290 nan 0.000 0.546 905 S N -0.926 114.773 115.700 -0.001 0.000 2.567 905 S HA 0.404 4.874 4.470 -0.000 0.000 0.270 905 S C -1.128 173.464 174.600 -0.013 0.000 1.152 905 S CA -1.002 57.194 58.200 -0.007 0.000 0.835 905 S CB 1.426 64.622 63.200 -0.007 0.000 1.115 905 S HN -0.058 nan 8.310 nan 0.000 0.459 906 N N 1.830 120.522 118.700 -0.015 0.000 2.381 906 N HA 0.372 5.112 4.740 -0.000 0.000 0.241 906 N C -2.497 173.001 175.510 -0.020 0.000 1.279 906 N CA -0.756 52.282 53.050 -0.019 0.000 0.896 906 N CB -0.439 38.038 38.487 -0.017 0.000 1.118 906 N HN 0.519 nan 8.380 nan 0.000 0.438 907 P HA 0.113 nan 4.420 nan 0.000 0.266 907 P C -0.349 176.940 177.300 -0.019 0.000 1.195 907 P CA 0.316 63.403 63.100 -0.022 0.000 0.768 907 P CB 0.404 32.090 31.700 -0.022 0.000 0.838 908 I N 2.903 123.462 120.570 -0.019 0.000 2.287 908 I HA 0.183 4.353 4.170 -0.000 0.000 0.290 908 I C 0.441 176.548 176.117 -0.016 0.000 1.069 908 I CA -0.652 60.639 61.300 -0.016 0.000 1.237 908 I CB 0.793 38.783 38.000 -0.017 0.000 1.418 908 I HN 0.099 nan 8.210 nan 0.000 0.481 909 V N 5.263 125.169 119.914 -0.014 0.000 2.612 909 V HA 0.694 4.814 4.120 -0.000 0.000 0.301 909 V C -0.155 175.932 176.094 -0.011 0.000 1.046 909 V CA 0.387 62.680 62.300 -0.012 0.000 0.946 909 V CB 2.000 33.816 31.823 -0.011 0.000 1.003 909 V HN 0.727 nan 8.190 nan 0.000 0.459 910 T N 0.000 114.548 114.554 -0.010 0.000 3.816 910 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 910 T CA 0.000 62.095 62.100 -0.009 0.000 1.349 910 T CB 0.000 68.862 68.868 -0.011 0.000 0.612 910 T HN 0.000 nan 8.240 nan 0.000 0.658