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 3gvk_1_B DATA FIRST_RESID 245 DATA SEQUENCE SAKGDGVTDD TAALTSALND TPVGQKINGN GKTYKVTSLP DISRFINTRF DATA SEQUENCE VYERIPGQPL YYASEEFVQG ELFKITDTPY YNAWPQDKAF VYENVIYAPY DATA SEQUENCE MGSDRAGVSR 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 0.000 174.662 174.600 0.103 0.000 1.055 245 S CA 0.000 58.246 58.200 0.077 0.000 1.107 245 S CB 0.000 63.243 63.200 0.072 0.000 0.593 246 A N 1.986 124.897 122.820 0.152 0.000 2.462 246 A HA 0.569 4.888 4.320 -0.001 0.000 0.243 246 A C 1.099 178.804 177.584 0.201 0.000 1.076 246 A CA -0.407 51.763 52.037 0.222 0.000 0.773 246 A CB 0.169 19.383 19.000 0.358 0.000 1.010 246 A HN 0.770 nan 8.150 nan 0.000 0.493 247 K N 1.703 122.180 120.400 0.127 0.000 2.137 247 K HA 0.079 4.398 4.320 -0.001 0.000 0.202 247 K C 1.254 177.800 176.600 -0.090 0.000 1.052 247 K CA 0.996 57.302 56.287 0.030 0.000 0.961 247 K CB -0.536 31.969 32.500 0.008 0.000 0.741 247 K HN 1.707 nan 8.250 nan 0.000 0.452 248 G N 3.811 112.439 108.800 -0.285 0.000 2.314 248 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.292 248 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.292 248 G C -0.138 174.509 174.900 -0.422 0.000 1.059 248 G CA 0.778 45.364 45.100 -0.856 0.000 0.982 248 G HN 0.466 nan 8.290 nan 0.000 0.505 249 D N -1.787 118.472 120.400 -0.234 0.000 2.433 249 D HA 0.381 5.020 4.640 -0.001 0.000 0.211 249 D C 1.804 178.055 176.300 -0.081 0.000 1.114 249 D CA 0.473 54.398 54.000 -0.124 0.000 0.837 249 D CB -0.317 40.442 40.800 -0.068 0.000 0.984 249 D HN 1.434 nan 8.370 nan 0.000 0.505 250 G N -0.042 108.704 108.800 -0.089 0.000 2.189 250 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.267 250 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.267 250 G C 0.779 175.683 174.900 0.007 0.000 0.975 250 G CA 0.698 45.789 45.100 -0.014 0.000 0.644 250 G HN 0.615 nan 8.290 nan 0.000 0.537 251 V N -0.529 119.383 119.914 -0.004 0.000 3.251 251 V HA 0.346 4.465 4.120 -0.001 0.000 0.239 251 V C 1.342 177.443 176.094 0.011 0.000 1.332 251 V CA 1.880 64.183 62.300 0.006 0.000 1.224 251 V CB 0.474 32.299 31.823 0.002 0.000 1.004 251 V HN 0.333 nan 8.190 nan 0.000 0.464 252 T N 2.412 116.972 114.554 0.010 0.000 2.870 252 T HA 0.143 4.492 4.350 -0.001 0.000 0.300 252 T C -0.404 174.321 174.700 0.041 0.000 0.989 252 T CA 0.254 62.367 62.100 0.022 0.000 1.139 252 T CB 0.743 69.624 68.868 0.021 0.000 0.920 252 T HN 0.449 nan 8.240 nan 0.000 0.537 253 D N 2.266 122.691 120.400 0.042 0.000 2.368 253 D HA 0.005 4.644 4.640 -0.001 0.000 0.268 253 D C 0.275 176.617 176.300 0.069 0.000 1.298 253 D CA -0.133 53.899 54.000 0.053 0.000 0.938 253 D CB 0.377 41.201 40.800 0.039 0.000 1.101 253 D HN 0.334 nan 8.370 nan 0.000 0.509 254 D N 2.418 122.879 120.400 0.102 0.000 2.363 254 D HA -0.001 4.639 4.640 -0.001 0.000 0.214 254 D C 1.439 177.803 176.300 0.106 0.000 1.093 254 D CA 0.181 54.263 54.000 0.135 0.000 0.837 254 D CB 0.484 41.432 40.800 0.247 0.000 0.948 254 D HN 0.407 nan 8.370 nan 0.000 0.507 255 T N 0.508 115.102 114.554 0.067 0.000 2.635 255 T HA -0.217 4.132 4.350 -0.001 0.000 0.267 255 T C 2.058 176.775 174.700 0.028 0.000 1.040 255 T CA 1.718 63.835 62.100 0.028 0.000 1.156 255 T CB -0.099 68.772 68.868 0.005 0.000 0.863 255 T HN 0.230 nan 8.240 nan 0.000 0.430 256 A N 1.366 124.206 122.820 0.033 0.000 1.902 256 A HA 0.204 4.523 4.320 -0.001 0.000 0.217 256 A C 2.666 180.274 177.584 0.040 0.000 1.181 256 A CA 1.824 53.878 52.037 0.028 0.000 0.623 256 A CB -1.113 17.902 19.000 0.025 0.000 0.818 256 A HN 0.528 nan 8.150 nan 0.000 0.443 257 A N -0.659 122.196 122.820 0.058 0.000 1.898 257 A HA 0.013 4.332 4.320 -0.001 0.000 0.216 257 A C 1.994 179.626 177.584 0.079 0.000 1.181 257 A CA 1.562 53.641 52.037 0.070 0.000 0.620 257 A CB -0.426 18.629 19.000 0.092 0.000 0.819 257 A HN 0.374 nan 8.150 nan 0.000 0.442 258 L N -0.042 121.238 121.223 0.095 0.000 2.093 258 L HA -0.089 4.250 4.340 -0.001 0.000 0.208 258 L C 2.638 179.571 176.870 0.106 0.000 1.085 258 L CA 2.304 57.223 54.840 0.132 0.000 0.755 258 L CB -1.914 40.236 42.059 0.151 0.000 0.904 258 L HN 0.384 nan 8.230 nan 0.000 0.435 259 T N -1.314 113.273 114.554 0.055 0.000 2.708 259 T HA -0.185 4.164 4.350 -0.001 0.000 0.266 259 T C 2.169 176.879 174.700 0.017 0.000 1.037 259 T CA 1.699 63.813 62.100 0.025 0.000 1.146 259 T CB -0.206 68.664 68.868 0.003 0.000 0.865 259 T HN 0.287 nan 8.240 nan 0.000 0.435 260 S N 0.972 116.685 115.700 0.022 0.000 2.368 260 S HA -0.087 4.382 4.470 -0.001 0.000 0.225 260 S C 2.401 177.007 174.600 0.010 0.000 1.030 260 S CA 1.360 59.569 58.200 0.014 0.000 0.999 260 S CB -0.585 62.627 63.200 0.020 0.000 0.844 260 S HN 0.519 nan 8.310 nan 0.000 0.459 261 A N 1.294 124.127 122.820 0.022 0.000 1.877 261 A HA 0.027 4.346 4.320 -0.001 0.000 0.216 261 A C 2.238 179.802 177.584 -0.033 0.000 1.186 261 A CA 1.543 53.584 52.037 0.006 0.000 0.620 261 A CB -0.883 18.136 19.000 0.032 0.000 0.822 261 A HN 0.570 nan 8.150 nan 0.000 0.443 262 L N -0.182 121.024 121.223 -0.029 0.000 2.083 262 L HA -0.205 4.134 4.340 -0.001 0.000 0.209 262 L C 2.224 179.059 176.870 -0.058 0.000 1.083 262 L CA 1.207 56.004 54.840 -0.073 0.000 0.752 262 L CB -0.553 41.483 42.059 -0.039 0.000 0.899 262 L HN 0.362 nan 8.230 nan 0.000 0.433 263 N N -0.216 118.464 118.700 -0.033 0.000 2.244 263 N HA -0.155 4.584 4.740 -0.001 0.000 0.183 263 N C 1.154 176.646 175.510 -0.030 0.000 1.016 263 N CA 1.195 54.227 53.050 -0.029 0.000 0.866 263 N CB -0.262 38.214 38.487 -0.018 0.000 0.980 263 N HN 0.315 nan 8.380 nan 0.000 0.430 264 D N -0.840 119.543 120.400 -0.028 0.000 2.339 264 D HA 0.020 4.659 4.640 -0.001 0.000 0.217 264 D C 0.317 176.597 176.300 -0.034 0.000 1.050 264 D CA 0.474 54.459 54.000 -0.025 0.000 0.856 264 D CB 0.271 41.062 40.800 -0.015 0.000 0.922 264 D HN 0.050 nan 8.370 nan 0.000 0.518 265 T N 1.366 115.890 114.554 -0.050 0.000 2.856 265 T HA 0.400 4.749 4.350 -0.001 0.000 0.283 265 T C -2.674 171.987 174.700 -0.064 0.000 1.008 265 T CA -2.173 59.890 62.100 -0.061 0.000 0.997 265 T CB 1.749 70.564 68.868 -0.087 0.000 0.992 265 T HN -0.232 nan 8.240 nan 0.000 0.454 266 P HA 0.090 nan 4.420 nan 0.000 0.268 266 P C 1.228 178.489 177.300 -0.065 0.000 1.205 266 P CA -0.241 62.828 63.100 -0.051 0.000 0.771 266 P CB 0.590 32.266 31.700 -0.040 0.000 0.858 267 V N 2.180 122.058 119.914 -0.059 0.000 2.568 267 V HA -0.153 3.966 4.120 -0.001 0.000 0.253 267 V C 2.466 178.521 176.094 -0.065 0.000 1.072 267 V CA 2.332 64.593 62.300 -0.066 0.000 1.084 267 V CB -1.719 30.073 31.823 -0.051 0.000 0.676 267 V HN 0.787 nan 8.190 nan 0.000 0.469 268 G N -0.871 107.898 108.800 -0.051 0.000 2.813 268 G HA2 -0.057 3.903 3.960 -0.001 0.000 0.209 268 G HA3 -0.057 3.903 3.960 -0.001 0.000 0.209 268 G C 0.730 175.600 174.900 -0.049 0.000 1.150 268 G CA -0.148 44.926 45.100 -0.043 0.000 0.785 268 G HN 0.506 nan 8.290 nan 0.000 0.535 269 Q N 0.832 120.593 119.800 -0.064 0.000 2.293 269 Q HA 0.387 4.726 4.340 -0.001 0.000 0.263 269 Q C -0.487 175.453 176.000 -0.099 0.000 1.002 269 Q CA -0.081 55.680 55.803 -0.070 0.000 0.910 269 Q CB 0.528 29.222 28.738 -0.074 0.000 1.185 269 Q HN 0.006 nan 8.270 nan 0.000 0.401 270 K N 4.203 124.560 120.400 -0.073 0.000 2.292 270 K HA 0.251 4.570 4.320 -0.001 0.000 0.290 270 K C -0.617 175.928 176.600 -0.092 0.000 1.083 270 K CA 0.079 56.319 56.287 -0.078 0.000 0.918 270 K CB 0.376 32.864 32.500 -0.020 0.000 1.089 270 K HN 0.614 nan 8.250 nan 0.000 0.473 271 I N 2.963 123.412 120.570 -0.202 0.000 2.581 271 I HA -0.071 4.098 4.170 -0.001 0.000 0.285 271 I C 0.556 176.674 176.117 0.001 0.000 1.129 271 I CA -0.059 61.134 61.300 -0.178 0.000 1.397 271 I CB 0.122 37.852 38.000 -0.450 0.000 1.399 271 I HN 0.529 nan 8.210 nan 0.000 0.537 272 N N 5.491 124.216 118.700 0.041 0.000 2.408 272 N HA 0.148 4.887 4.740 -0.001 0.000 0.257 272 N C 0.794 176.384 175.510 0.133 0.000 1.064 272 N CA 0.018 53.124 53.050 0.094 0.000 0.952 272 N CB 1.796 40.325 38.487 0.071 0.000 1.093 272 N HN 0.753 nan 8.380 nan 0.000 0.490 273 G N 2.139 111.041 108.800 0.170 0.000 2.985 273 G HA2 -0.094 3.865 3.960 -0.001 0.000 0.209 273 G HA3 -0.094 3.865 3.960 -0.001 0.000 0.209 273 G C 0.427 175.502 174.900 0.292 0.000 1.165 273 G CA -0.275 44.955 45.100 0.218 0.000 0.776 273 G HN 0.792 nan 8.290 nan 0.000 0.541 274 N N -0.427 118.391 118.700 0.195 0.000 2.725 274 N HA -0.214 4.525 4.740 -0.001 0.000 0.249 274 N C 1.486 177.084 175.510 0.147 0.000 1.103 274 N CA 1.499 54.636 53.050 0.146 0.000 0.707 274 N CB -1.417 37.143 38.487 0.123 0.000 1.043 274 N HN 1.016 nan 8.380 nan 0.000 0.553 275 G N -1.166 107.762 108.800 0.214 0.000 2.162 275 G HA2 -0.371 3.588 3.960 -0.001 0.000 0.260 275 G HA3 -0.371 3.588 3.960 -0.001 0.000 0.260 275 G C 0.176 175.284 174.900 0.346 0.000 0.976 275 G CA 1.081 46.330 45.100 0.247 0.000 0.655 275 G HN 0.554 nan 8.290 nan 0.000 0.533 276 K N 0.114 120.662 120.400 0.246 0.000 2.098 276 K HA 0.583 4.902 4.320 -0.001 0.000 0.244 276 K C -0.040 176.536 176.600 -0.040 0.000 1.014 276 K CA -0.168 56.139 56.287 0.034 0.000 0.917 276 K CB 0.817 33.203 32.500 -0.191 0.000 1.072 276 K HN 0.076 nan 8.250 nan 0.000 0.477 277 T N 1.554 115.975 114.554 -0.221 0.000 2.794 277 T HA 0.367 4.716 4.350 -0.001 0.000 0.280 277 T C -1.121 173.381 174.700 -0.331 0.000 0.987 277 T CA -0.519 61.486 62.100 -0.158 0.000 0.993 277 T CB 0.224 69.095 68.868 0.004 0.000 0.939 277 T HN 0.277 nan 8.240 nan 0.000 0.449 278 Y N 1.611 121.849 120.300 -0.104 0.000 2.331 278 Y HA 0.427 4.976 4.550 -0.001 0.000 0.334 278 Y C 0.471 176.410 175.900 0.066 0.000 0.960 278 Y CA -1.142 56.947 58.100 -0.019 0.000 1.130 278 Y CB 1.452 39.888 38.460 -0.040 0.000 1.164 278 Y HN 0.439 nan 8.280 nan 0.000 0.458 279 K N 3.924 124.418 120.400 0.158 0.000 2.339 279 K HA 0.498 4.817 4.320 -0.001 0.000 0.286 279 K C -0.863 175.823 176.600 0.142 0.000 1.050 279 K CA -0.351 56.010 56.287 0.122 0.000 0.956 279 K CB 0.422 32.960 32.500 0.063 0.000 0.990 279 K HN 0.582 nan 8.250 nan 0.000 0.475 280 V N 0.746 120.739 119.914 0.132 0.000 2.962 280 V HA 0.397 4.516 4.120 -0.001 0.000 0.313 280 V C 0.516 176.680 176.094 0.117 0.000 1.099 280 V CA -0.469 61.873 62.300 0.071 0.000 0.971 280 V CB 1.494 33.281 31.823 -0.060 0.000 1.028 280 V HN 0.874 nan 8.190 nan 0.000 0.430 281 T N -1.408 113.187 114.554 0.067 0.000 3.044 281 T HA 0.330 4.679 4.350 -0.001 0.000 0.250 281 T C 0.649 175.428 174.700 0.131 0.000 1.081 281 T CA 0.473 62.649 62.100 0.127 0.000 1.040 281 T CB -0.069 68.835 68.868 0.060 0.000 0.962 281 T HN 0.790 nan 8.240 nan 0.000 0.506 282 S N 0.272 115.891 115.700 -0.134 0.000 2.541 282 S HA 0.551 5.020 4.470 -0.001 0.000 0.271 282 S C -0.895 173.290 174.600 -0.690 0.000 1.133 282 S CA -0.917 57.022 58.200 -0.436 0.000 0.876 282 S CB 1.639 64.692 63.200 -0.244 0.000 1.105 282 S HN 0.314 nan 8.310 nan 0.000 0.470 283 L N 4.087 124.705 121.223 -1.010 0.000 2.410 283 L HA 0.286 4.626 4.340 -0.001 0.000 0.273 283 L C -1.487 174.997 176.870 -0.643 0.000 1.144 283 L CA -1.053 53.237 54.840 -0.916 0.000 0.863 283 L CB -0.044 41.446 42.059 -0.948 0.000 1.140 283 L HN 0.462 nan 8.230 nan 0.000 0.463 284 P HA 0.061 nan 4.420 nan 0.000 0.302 284 P C -0.788 176.347 177.300 -0.274 0.000 1.307 284 P CA -0.586 62.275 63.100 -0.398 0.000 0.754 284 P CB 0.483 31.979 31.700 -0.339 0.000 1.298 285 D N -0.150 120.209 120.400 -0.068 0.000 2.429 285 D HA 0.034 4.673 4.640 -0.001 0.000 0.253 285 D C 1.274 177.661 176.300 0.144 0.000 1.294 285 D CA 0.103 54.100 54.000 -0.005 0.000 1.063 285 D CB -0.774 40.025 40.800 -0.002 0.000 1.096 285 D HN 0.165 nan 8.370 nan 0.000 0.516 286 I N 1.685 122.283 120.570 0.047 0.000 2.264 286 I HA -0.318 3.851 4.170 -0.001 0.000 0.248 286 I C 2.388 178.673 176.117 0.281 0.000 1.111 286 I CA 1.100 62.517 61.300 0.195 0.000 1.382 286 I CB -0.252 37.787 38.000 0.065 0.000 1.060 286 I HN 0.356 nan 8.210 nan 0.000 0.418 287 S N 0.865 116.645 115.700 0.133 0.000 2.440 287 S HA -0.163 4.306 4.470 -0.001 0.000 0.238 287 S C 1.928 176.573 174.600 0.075 0.000 1.010 287 S CA 0.844 59.097 58.200 0.089 0.000 0.972 287 S CB -0.436 62.780 63.200 0.026 0.000 0.774 287 S HN 0.462 nan 8.310 nan 0.000 0.501 288 R N -0.451 120.084 120.500 0.059 0.000 2.317 288 R HA 0.347 4.687 4.340 -0.001 0.000 0.208 288 R C -0.762 175.383 176.300 -0.259 0.000 0.914 288 R CA -0.022 56.003 56.100 -0.124 0.000 1.060 288 R CB 0.067 30.223 30.300 -0.241 0.000 1.015 288 R HN 0.403 nan 8.270 nan 0.000 0.498 289 F N 0.930 120.912 119.950 0.053 0.000 2.458 289 F HA 0.445 4.971 4.527 -0.002 0.000 0.330 289 F C 0.412 176.244 175.800 0.053 0.000 1.082 289 F CA -1.353 56.679 58.000 0.053 0.000 0.995 289 F CB 1.253 40.313 39.000 0.101 0.000 1.170 289 F HN -0.184 nan 8.300 nan 0.000 0.478 290 I N -0.493 120.207 120.570 0.216 0.000 2.740 290 I HA 0.569 4.738 4.170 -0.001 0.000 0.303 290 I C 0.041 176.274 176.117 0.194 0.000 1.044 290 I CA -1.189 60.216 61.300 0.174 0.000 1.064 290 I CB 1.742 39.807 38.000 0.108 0.000 1.249 290 I HN 0.630 nan 8.210 nan 0.000 0.433 291 N N 1.860 120.691 118.700 0.218 0.000 2.716 291 N HA -0.168 4.571 4.740 -0.001 0.000 0.250 291 N C -1.047 174.678 175.510 0.359 0.000 1.033 291 N CA 1.249 54.468 53.050 0.283 0.000 0.727 291 N CB -0.799 37.787 38.487 0.166 0.000 0.950 291 N HN 0.951 nan 8.380 nan 0.000 0.541 292 T N 0.460 115.149 114.554 0.225 0.000 2.861 292 T HA 0.485 4.834 4.350 -0.001 0.000 0.287 292 T C -0.028 174.319 174.700 -0.588 0.000 1.003 292 T CA -0.728 61.291 62.100 -0.136 0.000 0.977 292 T CB 2.290 70.910 68.868 -0.412 0.000 0.996 292 T HN 0.299 nan 8.240 nan 0.000 0.448 293 R N 1.693 121.707 120.500 -0.809 0.000 2.599 293 R HA 0.661 5.000 4.340 -0.001 0.000 0.295 293 R C -1.574 174.355 176.300 -0.618 0.000 0.963 293 R CA -0.674 54.893 56.100 -0.889 0.000 0.883 293 R CB 0.881 30.487 30.300 -1.157 0.000 1.171 293 R HN 0.476 nan 8.270 nan 0.000 0.450 294 F N 2.658 122.572 119.950 -0.061 0.000 2.469 294 F HA 0.424 4.950 4.527 -0.002 0.000 0.332 294 F C -0.054 175.789 175.800 0.072 0.000 1.103 294 F CA -0.852 57.153 58.000 0.009 0.000 0.979 294 F CB 1.975 40.928 39.000 -0.078 0.000 1.137 294 F HN 0.097 nan 8.300 nan 0.000 0.463 295 V N 5.109 125.122 119.914 0.165 0.000 2.370 295 V HA 0.536 4.655 4.120 -0.001 0.000 0.283 295 V C -1.863 174.284 176.094 0.087 0.000 1.023 295 V CA -0.513 61.717 62.300 -0.116 0.000 0.857 295 V CB 1.139 32.736 31.823 -0.377 0.000 0.985 295 V HN 0.662 nan 8.190 nan 0.000 0.443 296 Y N 4.468 124.747 120.300 -0.035 0.000 2.470 296 Y HA 0.536 5.085 4.550 -0.001 0.000 0.341 296 Y C -0.389 175.515 175.900 0.007 0.000 1.021 296 Y CA -1.004 57.089 58.100 -0.012 0.000 1.025 296 Y CB 2.161 40.576 38.460 -0.076 0.000 1.266 296 Y HN 0.712 nan 8.280 nan 0.000 0.448 297 E N 6.179 126.025 120.200 -0.591 0.000 2.079 297 E HA 0.232 4.581 4.350 -0.001 0.000 0.252 297 E C 0.784 176.815 176.600 -0.948 0.000 0.992 297 E CA -0.364 55.688 56.400 -0.581 0.000 0.829 297 E CB 0.848 30.372 29.700 -0.293 0.000 1.158 297 E HN 0.710 nan 8.360 nan 0.000 0.435 298 R N 2.569 122.451 120.500 -1.030 0.000 2.083 298 R HA -0.084 4.255 4.340 -0.001 0.000 0.237 298 R C 0.506 176.649 176.300 -0.262 0.000 1.137 298 R CA 1.069 56.809 56.100 -0.600 0.000 0.951 298 R CB 0.293 30.517 30.300 -0.127 0.000 0.851 298 R HN 0.342 nan 8.270 nan 0.000 0.434 299 I N 2.578 123.027 120.570 -0.202 0.000 2.336 299 I HA 0.294 4.463 4.170 -0.001 0.000 0.292 299 I C -2.247 173.773 176.117 -0.161 0.000 0.991 299 I CA -3.292 57.928 61.300 -0.134 0.000 1.227 299 I CB 1.039 38.985 38.000 -0.089 0.000 1.366 299 I HN -0.054 nan 8.210 nan 0.000 0.466 300 P HA 0.116 nan 4.420 nan 0.000 0.262 300 P C 0.880 178.118 177.300 -0.102 0.000 1.182 300 P CA 0.755 63.791 63.100 -0.107 0.000 0.761 300 P CB 0.494 32.154 31.700 -0.067 0.000 0.795 301 G N 2.452 111.192 108.800 -0.101 0.000 2.176 301 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.253 301 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.253 301 G C 0.038 174.836 174.900 -0.170 0.000 0.979 301 G CA -0.293 44.759 45.100 -0.079 0.000 0.641 301 G HN 0.600 nan 8.290 nan 0.000 0.530 302 Q N 0.839 120.493 119.800 -0.245 0.000 2.907 302 Q HA 0.284 4.623 4.340 -0.001 0.000 0.262 302 Q C -2.697 173.175 176.000 -0.214 0.000 0.997 302 Q CA -1.735 53.843 55.803 -0.375 0.000 0.797 302 Q CB 2.402 30.881 28.738 -0.432 0.000 1.228 302 Q HN 0.351 nan 8.270 nan 0.000 0.466 303 P HA 0.142 nan 4.420 nan 0.000 0.271 303 P C -0.644 176.578 177.300 -0.130 0.000 1.216 303 P CA 0.161 63.164 63.100 -0.162 0.000 0.771 303 P CB 1.147 32.752 31.700 -0.159 0.000 0.864 304 L N 2.983 124.110 121.223 -0.161 0.000 2.327 304 L HA 0.521 4.860 4.340 -0.001 0.000 0.258 304 L C -0.344 176.358 176.870 -0.280 0.000 1.024 304 L CA -1.136 53.632 54.840 -0.120 0.000 0.825 304 L CB 1.616 43.610 42.059 -0.108 0.000 1.386 304 L HN 0.310 nan 8.230 nan 0.000 0.417 305 Y N -0.317 119.862 120.300 -0.203 0.000 2.446 305 Y HA 0.570 5.119 4.550 -0.002 0.000 0.338 305 Y C -1.115 174.549 175.900 -0.394 0.000 1.055 305 Y CA -0.575 57.443 58.100 -0.137 0.000 1.101 305 Y CB 1.790 40.186 38.460 -0.107 0.000 1.221 305 Y HN 0.232 nan 8.280 nan 0.000 0.460 306 Y N 0.753 121.153 120.300 0.166 0.000 2.354 306 Y HA 0.633 5.182 4.550 -0.002 0.000 0.330 306 Y C -0.290 175.633 175.900 0.039 0.000 1.011 306 Y CA -1.245 56.920 58.100 0.109 0.000 1.099 306 Y CB 1.667 40.204 38.460 0.127 0.000 1.179 306 Y HN 0.676 nan 8.280 nan 0.000 0.442 307 A N 2.409 125.300 122.820 0.119 0.000 2.289 307 A HA 0.592 4.911 4.320 -0.001 0.000 0.298 307 A C 0.325 177.991 177.584 0.135 0.000 1.208 307 A CA -0.465 51.599 52.037 0.043 0.000 0.845 307 A CB 0.219 19.318 19.000 0.165 0.000 1.125 307 A HN 0.753 nan 8.150 nan 0.000 0.517 308 S N 2.540 118.305 115.700 0.109 0.000 2.634 308 S HA 0.322 4.791 4.470 -0.001 0.000 0.261 308 S C 0.062 174.787 174.600 0.209 0.000 1.271 308 S CA -0.568 57.745 58.200 0.189 0.000 0.985 308 S CB 0.362 63.687 63.200 0.209 0.000 0.968 308 S HN 0.663 nan 8.310 nan 0.000 0.568 309 E N 0.789 121.100 120.200 0.185 0.000 2.415 309 E HA 0.108 4.458 4.350 -0.001 0.000 0.262 309 E C 0.418 177.123 176.600 0.175 0.000 1.038 309 E CA 0.391 56.891 56.400 0.165 0.000 0.921 309 E CB 0.084 29.855 29.700 0.119 0.000 0.950 309 E HN 0.819 nan 8.360 nan 0.000 0.438 310 E N -0.125 120.169 120.200 0.157 0.000 3.286 310 E HA -0.288 4.061 4.350 -0.001 0.000 0.292 310 E C 0.391 177.083 176.600 0.153 0.000 0.928 310 E CA 0.533 57.009 56.400 0.126 0.000 0.982 310 E CB -1.487 28.270 29.700 0.094 0.000 1.500 310 E HN 0.534 nan 8.360 nan 0.000 0.441 311 F N 0.719 120.716 119.950 0.079 0.000 2.220 311 F HA 0.071 4.598 4.527 -0.002 0.000 0.290 311 F C 1.163 177.009 175.800 0.077 0.000 1.080 311 F CA 0.864 58.907 58.000 0.070 0.000 1.318 311 F CB 0.549 39.589 39.000 0.067 0.000 1.063 311 F HN -0.054 nan 8.300 nan 0.000 0.498 312 V N 0.267 120.294 119.914 0.188 0.000 2.617 312 V HA 0.370 4.489 4.120 -0.001 0.000 0.298 312 V C -0.149 175.993 176.094 0.081 0.000 1.048 312 V CA -0.839 61.507 62.300 0.078 0.000 0.964 312 V CB 1.339 33.258 31.823 0.160 0.000 1.004 312 V HN 0.269 nan 8.190 nan 0.000 0.466 313 Q N 2.273 122.089 119.800 0.026 0.000 2.678 313 Q HA 0.581 4.920 4.340 -0.001 0.000 0.222 313 Q C 0.107 176.149 176.000 0.069 0.000 1.281 313 Q CA 0.291 56.117 55.803 0.039 0.000 0.994 313 Q CB -0.048 28.692 28.738 0.003 0.000 1.452 313 Q HN 1.193 nan 8.270 nan 0.000 0.570 314 G N 1.470 110.320 108.800 0.083 0.000 2.708 314 G HA2 0.540 4.499 3.960 -0.001 0.000 0.289 314 G HA3 0.540 4.499 3.960 -0.001 0.000 0.289 314 G C -1.796 172.972 174.900 -0.221 0.000 1.416 314 G CA -0.523 44.541 45.100 -0.059 0.000 0.829 314 G HN 0.401 nan 8.290 nan 0.000 0.480 315 E N -0.759 119.071 120.200 -0.616 0.000 2.363 315 E HA 0.443 4.792 4.350 -0.001 0.000 0.281 315 E C -1.861 174.447 176.600 -0.487 0.000 0.953 315 E CA -0.767 55.386 56.400 -0.411 0.000 0.778 315 E CB 2.591 32.142 29.700 -0.247 0.000 1.220 315 E HN 0.414 nan 8.360 nan 0.000 0.431 316 L N 4.205 125.312 121.223 -0.195 0.000 2.312 316 L HA 0.566 4.905 4.340 -0.001 0.000 0.281 316 L C -1.599 175.209 176.870 -0.104 0.000 1.070 316 L CA 0.177 55.064 54.840 0.079 0.000 0.805 316 L CB 0.513 42.725 42.059 0.256 0.000 1.174 316 L HN 0.489 nan 8.230 nan 0.000 0.434 317 F N 3.542 123.532 119.950 0.065 0.000 2.532 317 F HA 0.476 5.002 4.527 -0.002 0.000 0.321 317 F C 0.016 175.786 175.800 -0.051 0.000 1.089 317 F CA -0.786 57.221 58.000 0.012 0.000 0.926 317 F CB 1.658 40.671 39.000 0.021 0.000 1.168 317 F HN 0.345 nan 8.300 nan 0.000 0.459 318 K N 3.696 124.101 120.400 0.008 0.000 2.201 318 K HA 0.450 4.769 4.320 -0.001 0.000 0.278 318 K C 0.408 176.759 176.600 -0.414 0.000 1.027 318 K CA -0.235 55.797 56.287 -0.423 0.000 0.909 318 K CB 0.707 32.964 32.500 -0.405 0.000 1.062 318 K HN 0.827 nan 8.250 nan 0.000 0.465 319 I N -0.057 120.114 120.570 -0.665 0.000 4.456 319 I HA 0.176 4.345 4.170 -0.001 0.000 0.329 319 I C -0.011 175.790 176.117 -0.526 0.000 1.313 319 I CA -0.406 60.451 61.300 -0.738 0.000 1.205 319 I CB 1.010 38.098 38.000 -1.519 0.000 1.179 319 I HN 0.479 nan 8.210 nan 0.000 0.419 320 T N -1.881 112.357 114.554 -0.526 0.000 2.916 320 T HA 0.577 4.926 4.350 -0.001 0.000 0.292 320 T C -0.980 173.542 174.700 -0.296 0.000 1.055 320 T CA -0.416 61.474 62.100 -0.349 0.000 1.009 320 T CB 2.535 71.168 68.868 -0.393 0.000 1.118 320 T HN 0.122 nan 8.240 nan 0.000 0.497 321 D N 1.335 121.644 120.400 -0.151 0.000 2.823 321 D HA 0.296 4.935 4.640 -0.001 0.000 0.255 321 D C -0.584 175.711 176.300 -0.007 0.000 1.257 321 D CA -0.142 53.800 54.000 -0.096 0.000 0.803 321 D CB 0.721 41.472 40.800 -0.083 0.000 1.384 321 D HN 0.923 nan 8.370 nan 0.000 0.541 322 T N -0.992 113.582 114.554 0.033 0.000 2.916 322 T HA 0.634 4.983 4.350 -0.001 0.000 0.292 322 T C -2.158 172.604 174.700 0.104 0.000 1.055 322 T CA -1.950 60.226 62.100 0.128 0.000 1.009 322 T CB 2.286 71.315 68.868 0.269 0.000 1.118 322 T HN -0.208 nan 8.240 nan 0.000 0.497 323 P HA 0.105 nan 4.420 nan 0.000 0.229 323 P C -0.171 177.060 177.300 -0.114 0.000 1.160 323 P CA 0.376 63.412 63.100 -0.106 0.000 0.777 323 P CB -0.258 31.294 31.700 -0.247 0.000 0.814 324 Y N -1.275 119.084 120.300 0.099 0.000 2.385 324 Y HA 0.007 4.556 4.550 -0.002 0.000 0.346 324 Y C 0.940 176.984 175.900 0.239 0.000 1.270 324 Y CA -0.216 58.003 58.100 0.199 0.000 1.472 324 Y CB -0.341 38.282 38.460 0.272 0.000 1.354 324 Y HN -0.071 nan 8.280 nan 0.000 0.611 325 Y N 2.912 123.386 120.300 0.291 0.000 2.640 325 Y HA 0.115 4.664 4.550 -0.002 0.000 0.355 325 Y C -0.542 175.469 175.900 0.186 0.000 1.088 325 Y CA -0.380 57.797 58.100 0.128 0.000 1.443 325 Y CB -0.628 37.812 38.460 -0.034 0.000 1.224 325 Y HN 0.539 nan 8.280 nan 0.000 0.516 326 N N 5.113 123.961 118.700 0.247 0.000 2.485 326 N HA 0.632 5.371 4.740 -0.001 0.000 0.243 326 N C -0.885 174.609 175.510 -0.027 0.000 0.987 326 N CA -0.309 52.872 53.050 0.218 0.000 0.940 326 N CB 1.227 39.726 38.487 0.020 0.000 1.122 326 N HN 0.595 nan 8.380 nan 0.000 0.509 327 A N 1.348 124.176 122.820 0.014 0.000 2.534 327 A HA 0.579 4.898 4.320 -0.001 0.000 0.300 327 A C -1.280 176.319 177.584 0.024 0.000 1.223 327 A CA -0.727 51.078 52.037 -0.385 0.000 0.666 327 A CB 0.724 19.004 19.000 -1.200 0.000 1.316 327 A HN 0.680 nan 8.150 nan 0.000 0.468 328 W N -2.497 118.927 121.300 0.207 0.000 5.820 328 W HA -0.106 4.553 4.660 -0.002 0.000 0.415 328 W C -2.281 174.358 176.519 0.199 0.000 1.627 328 W CA 0.236 57.698 57.345 0.195 0.000 0.991 328 W CB -2.290 27.262 29.460 0.153 0.000 2.842 328 W HN 0.533 nan 8.180 nan 0.000 1.416 329 P HA -0.170 nan 4.420 nan 0.000 0.222 329 P C 1.096 178.561 177.300 0.275 0.000 1.147 329 P CA 1.661 64.926 63.100 0.275 0.000 0.790 329 P CB 0.155 31.957 31.700 0.170 0.000 0.780 330 Q N 0.851 120.847 119.800 0.327 0.000 2.269 330 Q HA -0.005 4.334 4.340 -0.001 0.000 0.300 330 Q C -0.427 175.677 176.000 0.173 0.000 1.070 330 Q CA 0.282 56.279 55.803 0.324 0.000 0.957 330 Q CB -0.181 28.878 28.738 0.536 0.000 1.131 330 Q HN -0.062 nan 8.270 nan 0.000 0.377 331 D N 2.588 122.947 120.400 -0.068 0.000 2.432 331 D HA 0.221 4.860 4.640 -0.001 0.000 0.265 331 D C -0.526 175.821 176.300 0.079 0.000 1.160 331 D CA -0.521 53.473 54.000 -0.010 0.000 0.911 331 D CB 0.614 41.293 40.800 -0.202 0.000 1.052 331 D HN 0.647 nan 8.370 nan 0.000 0.508 332 K N 0.822 121.316 120.400 0.157 0.000 2.481 332 K HA 0.359 4.678 4.320 -0.001 0.000 0.210 332 K C 0.571 177.339 176.600 0.280 0.000 1.161 332 K CA -0.407 55.995 56.287 0.193 0.000 1.023 332 K CB 1.270 33.889 32.500 0.198 0.000 0.971 332 K HN 0.291 nan 8.250 nan 0.000 0.577 333 A N 1.876 124.835 122.820 0.231 0.000 2.445 333 A HA 0.452 4.771 4.320 -0.001 0.000 0.242 333 A C -0.160 177.576 177.584 0.254 0.000 1.075 333 A CA 0.165 52.305 52.037 0.171 0.000 0.777 333 A CB -0.327 18.755 19.000 0.136 0.000 1.013 333 A HN 0.297 nan 8.150 nan 0.000 0.493 334 F N -0.817 119.184 119.950 0.085 0.000 2.713 334 F HA 0.656 5.182 4.527 -0.001 0.000 0.311 334 F C -1.206 174.656 175.800 0.104 0.000 1.141 334 F CA -1.326 56.710 58.000 0.060 0.000 0.939 334 F CB 1.067 40.044 39.000 -0.039 0.000 1.325 334 F HN 0.329 nan 8.300 nan 0.000 0.453 335 V N 2.077 122.165 119.914 0.290 0.000 2.459 335 V HA 0.487 4.606 4.120 -0.001 0.000 0.295 335 V C -1.641 174.689 176.094 0.393 0.000 1.029 335 V CA -0.690 61.735 62.300 0.208 0.000 0.874 335 V CB 1.479 33.365 31.823 0.106 0.000 0.985 335 V HN 0.806 nan 8.190 nan 0.000 0.438 336 Y N 2.539 122.984 120.300 0.241 0.000 2.354 336 Y HA 0.390 4.939 4.550 -0.002 0.000 0.330 336 Y C 0.415 176.392 175.900 0.129 0.000 1.011 336 Y CA -0.786 57.429 58.100 0.191 0.000 1.099 336 Y CB 1.455 40.020 38.460 0.175 0.000 1.179 336 Y HN 0.870 nan 8.280 nan 0.000 0.442 337 E N 5.196 125.125 120.200 -0.452 0.000 2.197 337 E HA -0.400 3.949 4.350 -0.001 0.000 0.184 337 E C 0.014 176.541 176.600 -0.123 0.000 1.439 337 E CA 1.269 57.467 56.400 -0.338 0.000 0.688 337 E CB -1.093 28.327 29.700 -0.467 0.000 1.090 337 E HN 0.983 nan 8.360 nan 0.000 0.341 338 N N -2.919 115.726 118.700 -0.092 0.000 2.965 338 N HA -0.193 4.546 4.740 -0.001 0.000 0.232 338 N C -0.580 174.846 175.510 -0.140 0.000 0.913 338 N CA 1.046 54.041 53.050 -0.091 0.000 0.981 338 N CB -0.447 37.990 38.487 -0.083 0.000 1.077 338 N HN 0.164 nan 8.380 nan 0.000 0.589 339 V N 1.677 121.516 119.914 -0.125 0.000 2.435 339 V HA 0.468 4.587 4.120 -0.001 0.000 0.290 339 V C 0.415 176.308 176.094 -0.334 0.000 1.030 339 V CA -0.594 61.529 62.300 -0.295 0.000 0.881 339 V CB 1.659 33.259 31.823 -0.371 0.000 0.983 339 V HN 0.097 nan 8.190 nan 0.000 0.445 340 I N 4.967 125.212 120.570 -0.541 0.000 2.325 340 I HA 0.354 4.523 4.170 -0.001 0.000 0.291 340 I C -0.915 174.825 176.117 -0.628 0.000 1.019 340 I CA -0.265 60.737 61.300 -0.495 0.000 1.302 340 I CB 0.608 38.256 38.000 -0.586 0.000 1.401 340 I HN 0.512 nan 8.210 nan 0.000 0.485 341 Y N 4.618 124.544 120.300 -0.624 0.000 2.331 341 Y HA 0.577 5.127 4.550 -0.001 0.000 0.338 341 Y C 0.366 176.036 175.900 -0.383 0.000 0.992 341 Y CA -0.817 56.829 58.100 -0.757 0.000 1.121 341 Y CB 1.828 39.326 38.460 -1.603 0.000 1.184 341 Y HN 0.598 nan 8.280 nan 0.000 0.469 342 A N 6.176 129.014 122.820 0.029 0.000 2.786 342 A HA 0.559 4.878 4.320 -0.001 0.000 0.346 342 A C -2.943 174.832 177.584 0.319 0.000 1.265 342 A CA -1.770 50.338 52.037 0.119 0.000 0.858 342 A CB -0.163 18.826 19.000 -0.018 0.000 1.118 342 A HN 0.368 nan 8.150 nan 0.000 0.482 343 P HA 0.560 nan 4.420 nan 0.000 0.277 343 P C -0.738 176.833 177.300 0.451 0.000 1.240 343 P CA 0.027 63.414 63.100 0.478 0.000 0.798 343 P CB 0.478 32.448 31.700 0.450 0.000 0.979 344 Y N -1.927 118.496 120.300 0.205 0.000 2.914 344 Y HA 0.696 5.245 4.550 -0.002 0.000 0.327 344 Y C -1.502 174.510 175.900 0.187 0.000 1.440 344 Y CA -1.412 56.803 58.100 0.192 0.000 1.086 344 Y CB 0.859 39.414 38.460 0.159 0.000 1.544 344 Y HN 0.055 nan 8.280 nan 0.000 0.442 345 M N 1.690 121.501 119.600 0.350 0.000 2.253 345 M HA 0.551 5.030 4.480 -0.001 0.000 0.314 345 M C -0.487 176.060 176.300 0.412 0.000 1.019 345 M CA -0.763 54.652 55.300 0.192 0.000 0.932 345 M CB 2.283 34.975 32.600 0.152 0.000 1.606 345 M HN 0.922 nan 8.290 nan 0.000 0.430 346 G N 1.800 110.678 108.800 0.129 0.000 2.415 346 G HA2 0.594 4.553 3.960 -0.001 0.000 0.317 346 G HA3 0.594 4.553 3.960 -0.001 0.000 0.317 346 G C -0.308 174.629 174.900 0.061 0.000 1.152 346 G CA -0.282 44.961 45.100 0.237 0.000 0.956 346 G HN 0.769 nan 8.290 nan 0.000 0.458 347 S N 0.748 116.612 115.700 0.273 0.000 3.081 347 S HA 0.636 5.105 4.470 -0.001 0.000 0.316 347 S C 0.251 175.016 174.600 0.274 0.000 1.089 347 S CA 0.036 58.340 58.200 0.174 0.000 0.897 347 S CB 1.907 65.154 63.200 0.077 0.000 1.358 347 S HN 0.414 nan 8.310 nan 0.000 0.678 348 D N -0.677 119.774 120.400 0.085 0.000 2.469 348 D HA 0.240 4.880 4.640 -0.001 0.000 0.213 348 D C 0.498 176.618 176.300 -0.300 0.000 1.135 348 D CA -0.260 53.664 54.000 -0.126 0.000 0.834 348 D CB 0.072 40.916 40.800 0.074 0.000 1.009 348 D HN 0.780 nan 8.370 nan 0.000 0.507 349 R N -1.568 118.780 120.500 -0.253 0.000 2.780 349 R HA 0.616 4.955 4.340 -0.001 0.000 0.280 349 R C -1.498 174.555 176.300 -0.412 0.000 1.016 349 R CA -0.831 55.055 56.100 -0.356 0.000 0.854 349 R CB 0.246 30.462 30.300 -0.140 0.000 1.293 349 R HN -0.148 nan 8.270 nan 0.000 0.483 350 A N 0.840 123.478 122.820 -0.304 0.000 2.897 350 A HA 0.527 4.846 4.320 -0.001 0.000 0.287 350 A C 0.477 177.936 177.584 -0.209 0.000 1.748 350 A CA 1.022 52.983 52.037 -0.127 0.000 1.397 350 A CB -1.257 17.781 19.000 0.064 0.000 1.049 350 A HN 1.157 nan 8.150 nan 0.000 0.592 351 G N -0.871 107.736 108.800 -0.321 0.000 2.327 351 G HA2 0.393 4.352 3.960 -0.001 0.000 0.291 351 G HA3 0.393 4.352 3.960 -0.001 0.000 0.291 351 G C 0.167 174.933 174.900 -0.224 0.000 1.290 351 G CA 0.166 45.119 45.100 -0.246 0.000 0.857 351 G HN 1.359 nan 8.290 nan 0.000 0.520 352 V N -2.074 117.744 119.914 -0.161 0.000 3.621 352 V HA 0.490 4.609 4.120 -0.001 0.000 0.285 352 V C 1.235 177.308 176.094 -0.035 0.000 1.346 352 V CA 0.991 63.225 62.300 -0.109 0.000 1.104 352 V CB 0.121 31.877 31.823 -0.112 0.000 0.913 352 V HN 1.217 nan 8.190 nan 0.000 0.432 353 S N 1.527 117.211 115.700 -0.028 0.000 2.546 353 S HA 0.244 4.713 4.470 -0.001 0.000 0.290 353 S C 1.115 175.772 174.600 0.096 0.000 1.290 353 S CA 0.407 58.649 58.200 0.071 0.000 1.069 353 S CB -0.357 62.856 63.200 0.022 0.000 0.846 353 S HN 0.714 nan 8.310 nan 0.000 0.495 354 R N 0.520 121.125 120.500 0.175 0.000 3.946 354 R HA -0.203 4.136 4.340 -0.001 0.000 0.329 354 R C -0.073 176.101 176.300 -0.210 0.000 1.209 354 R CA 0.819 56.923 56.100 0.006 0.000 0.909 354 R CB -2.040 28.377 30.300 0.194 0.000 1.355 354 R HN 0.688 nan 8.270 nan 0.000 0.539 355 L N 1.207 122.275 121.223 -0.258 0.000 2.331 355 L HA 0.228 4.567 4.340 -0.001 0.000 0.278 355 L C -0.097 176.408 176.870 -0.608 0.000 1.106 355 L CA -0.241 54.411 54.840 -0.312 0.000 0.824 355 L CB 0.523 42.479 42.059 -0.173 0.000 1.142 355 L HN 0.058 nan 8.230 nan 0.000 0.443 356 H N 2.836 121.632 119.070 -0.457 0.000 2.505 356 H HA 0.343 4.898 4.556 -0.001 0.000 0.338 356 H C -0.616 174.501 175.328 -0.351 0.000 1.057 356 H CA -0.694 55.043 56.048 -0.518 0.000 1.202 356 H CB 1.844 30.977 29.762 -1.047 0.000 1.466 356 H HN 0.345 nan 8.280 nan 0.000 0.499 357 V N 3.669 123.481 119.914 -0.171 0.000 2.529 357 V HA 0.118 4.237 4.120 -0.001 0.000 0.292 357 V C 0.144 176.119 176.094 -0.198 0.000 1.028 357 V CA 0.529 62.711 62.300 -0.196 0.000 1.074 357 V CB 0.267 31.960 31.823 -0.217 0.000 0.958 357 V HN 0.805 nan 8.190 nan 0.000 0.481 358 S N 3.694 119.191 115.700 -0.339 0.000 2.667 358 S HA 0.854 5.323 4.470 -0.001 0.000 0.292 358 S C -1.172 173.303 174.600 -0.208 0.000 1.126 358 S CA -0.689 57.296 58.200 -0.359 0.000 0.881 358 S CB 2.169 65.010 63.200 -0.598 0.000 1.132 358 S HN 0.867 nan 8.310 nan 0.000 0.492 359 W N 0.435 121.748 121.300 0.021 0.000 3.083 359 W HA 0.774 5.433 4.660 -0.002 0.000 0.333 359 W C -1.543 175.160 176.519 0.306 0.000 1.217 359 W CA -1.522 55.958 57.345 0.225 0.000 1.170 359 W CB -0.357 29.226 29.460 0.206 0.000 1.437 359 W HN 0.584 nan 8.180 nan 0.000 0.557 360 V N 0.051 120.324 119.914 0.598 0.000 2.815 360 V HA 0.796 4.915 4.120 -0.001 0.000 0.314 360 V C -0.451 175.750 176.094 0.179 0.000 1.064 360 V CA -1.559 60.956 62.300 0.358 0.000 0.952 360 V CB 1.560 33.539 31.823 0.261 0.000 1.020 360 V HN 0.628 nan 8.190 nan 0.000 0.439 361 K N 1.513 121.915 120.400 0.003 0.000 2.385 361 K HA 0.733 5.053 4.320 -0.001 0.000 0.248 361 K C -0.892 175.400 176.600 -0.513 0.000 0.955 361 K CA -0.563 55.474 56.287 -0.416 0.000 0.816 361 K CB 2.182 34.219 32.500 -0.771 0.000 1.250 361 K HN 0.768 nan 8.250 nan 0.000 0.434 362 S N -0.044 115.063 115.700 -0.988 0.000 2.519 362 S HA 0.469 4.939 4.470 -0.001 0.000 0.309 362 S C 0.272 174.415 174.600 -0.761 0.000 1.100 362 S CA -0.601 56.886 58.200 -1.188 0.000 1.059 362 S CB 1.078 63.029 63.200 -2.083 0.000 1.008 362 S HN 0.789 nan 8.310 nan 0.000 0.478 363 G N 2.142 110.621 108.800 -0.534 0.000 3.337 363 G HA2 0.199 4.158 3.960 -0.001 0.000 0.246 363 G HA3 0.199 4.158 3.960 -0.001 0.000 0.246 363 G C -0.062 174.673 174.900 -0.276 0.000 1.131 363 G CA -0.192 44.695 45.100 -0.356 0.000 0.773 363 G HN 0.783 nan 8.290 nan 0.000 0.544 364 D N -0.916 119.281 120.400 -0.337 0.000 2.837 364 D HA 0.151 4.790 4.640 -0.001 0.000 0.340 364 D C -0.162 175.967 176.300 -0.286 0.000 1.451 364 D CA -0.792 53.082 54.000 -0.210 0.000 0.798 364 D CB -0.250 40.529 40.800 -0.035 0.000 1.169 364 D HN -0.052 nan 8.370 nan 0.000 0.449 365 D N 0.315 120.503 120.400 -0.353 0.000 2.772 365 D HA -0.113 4.526 4.640 -0.001 0.000 0.233 365 D C 1.335 177.415 176.300 -0.366 0.000 1.143 365 D CA 1.649 55.459 54.000 -0.316 0.000 0.700 365 D CB -1.467 39.233 40.800 -0.166 0.000 1.076 365 D HN 0.779 nan 8.370 nan 0.000 0.430 366 G N -0.783 107.639 108.800 -0.630 0.000 2.175 366 G HA2 -0.392 3.567 3.960 -0.001 0.000 0.244 366 G HA3 -0.392 3.567 3.960 -0.001 0.000 0.244 366 G C 0.937 175.397 174.900 -0.734 0.000 0.982 366 G CA 0.634 45.359 45.100 -0.625 0.000 0.641 366 G HN 0.474 nan 8.290 nan 0.000 0.527 367 Q N -0.138 119.300 119.800 -0.603 0.000 2.083 367 Q HA 0.106 4.445 4.340 -0.001 0.000 0.198 367 Q C 1.498 177.409 176.000 -0.148 0.000 0.969 367 Q CA 1.622 57.183 55.803 -0.402 0.000 0.838 367 Q CB 0.098 28.543 28.738 -0.488 0.000 0.900 367 Q HN 0.814 nan 8.270 nan 0.000 0.436 368 T N -2.983 111.419 114.554 -0.252 0.000 2.906 368 T HA 0.538 4.887 4.350 -0.001 0.000 0.295 368 T C -1.515 172.910 174.700 -0.458 0.000 1.075 368 T CA -0.883 61.144 62.100 -0.122 0.000 1.005 368 T CB 1.391 70.266 68.868 0.011 0.000 1.136 368 T HN 0.152 nan 8.240 nan 0.000 0.498 369 W N 0.883 122.089 121.300 -0.156 0.000 2.950 369 W HA 0.649 5.308 4.660 -0.002 0.000 0.340 369 W C 0.437 176.880 176.519 -0.127 0.000 1.139 369 W CA -0.696 56.550 57.345 -0.166 0.000 1.188 369 W CB 1.994 31.348 29.460 -0.178 0.000 1.426 369 W HN 1.015 nan 8.180 nan 0.000 0.531 370 S N -0.365 115.386 115.700 0.085 0.000 2.655 370 S HA 0.509 4.979 4.470 -0.001 0.000 0.265 370 S C 0.023 174.670 174.600 0.078 0.000 1.240 370 S CA -0.687 57.534 58.200 0.035 0.000 0.986 370 S CB 0.584 63.779 63.200 -0.009 0.000 0.985 370 S HN 0.342 nan 8.310 nan 0.000 0.562 371 T N 3.499 118.082 114.554 0.048 0.000 2.888 371 T HA 0.282 4.631 4.350 -0.001 0.000 0.301 371 T C -2.344 172.407 174.700 0.086 0.000 1.001 371 T CA -0.381 61.744 62.100 0.042 0.000 1.147 371 T CB -0.206 68.658 68.868 -0.007 0.000 0.931 371 T HN 0.490 nan 8.240 nan 0.000 0.541 372 P HA 0.092 nan 4.420 nan 0.000 0.264 372 P C -0.254 177.075 177.300 0.047 0.000 1.183 372 P CA 0.047 63.256 63.100 0.182 0.000 0.763 372 P CB 0.456 32.296 31.700 0.233 0.000 0.807 373 E N 2.692 122.969 120.200 0.128 0.000 2.171 373 E HA 0.211 4.560 4.350 -0.001 0.000 0.271 373 E C -0.971 175.623 176.600 -0.011 0.000 0.916 373 E CA -0.766 55.636 56.400 0.005 0.000 0.774 373 E CB 0.634 30.414 29.700 0.133 0.000 1.128 373 E HN 0.283 nan 8.360 nan 0.000 0.403 374 W N 5.765 126.981 121.300 -0.141 0.000 2.311 374 W HA 0.206 4.866 4.660 -0.001 0.000 0.310 374 W C 0.613 177.050 176.519 -0.137 0.000 1.274 374 W CA -0.599 56.633 57.345 -0.189 0.000 1.215 374 W CB 0.402 29.692 29.460 -0.282 0.000 1.227 374 W HN 0.695 nan 8.180 nan 0.000 0.523 375 L N 2.250 123.497 121.223 0.040 0.000 2.354 375 L HA 0.045 4.384 4.340 -0.001 0.000 0.212 375 L C 1.276 178.239 176.870 0.156 0.000 1.091 375 L CA 0.805 55.670 54.840 0.042 0.000 0.828 375 L CB -0.388 41.586 42.059 -0.141 0.000 0.973 375 L HN 0.298 nan 8.230 nan 0.000 0.461 376 T N -3.838 110.753 114.554 0.063 0.000 2.887 376 T HA 0.409 4.758 4.350 -0.001 0.000 0.288 376 T C -0.509 174.299 174.700 0.179 0.000 1.021 376 T CA -0.944 61.171 62.100 0.025 0.000 1.000 376 T CB 2.453 71.176 68.868 -0.241 0.000 1.034 376 T HN -0.174 nan 8.240 nan 0.000 0.467 377 D N 1.046 121.568 120.400 0.205 0.000 2.387 377 D HA 0.326 4.965 4.640 -0.001 0.000 0.251 377 D C 0.511 176.872 176.300 0.102 0.000 1.141 377 D CA -0.493 53.627 54.000 0.200 0.000 0.987 377 D CB 1.048 41.958 40.800 0.182 0.000 1.116 377 D HN 0.513 nan 8.370 nan 0.000 0.491 378 L N 1.411 122.567 121.223 -0.113 0.000 2.525 378 L HA -0.033 4.306 4.340 -0.001 0.000 0.278 378 L C 1.282 178.130 176.870 -0.037 0.000 1.218 378 L CA 0.173 54.855 54.840 -0.264 0.000 0.878 378 L CB 0.072 41.806 42.059 -0.543 0.000 1.127 378 L HN 0.332 nan 8.230 nan 0.000 0.492 379 H N 5.581 124.516 119.070 -0.226 0.000 2.972 379 H HA -0.014 4.541 4.556 -0.001 0.000 0.343 379 H C -1.680 173.608 175.328 -0.065 0.000 1.054 379 H CA -0.981 54.875 56.048 -0.320 0.000 1.412 379 H CB 1.359 30.744 29.762 -0.627 0.000 1.385 379 H HN 0.375 nan 8.280 nan 0.000 0.600 380 P HA -0.135 nan 4.420 nan 0.000 0.217 380 P C 0.296 177.672 177.300 0.127 0.000 1.148 380 P CA 1.421 64.496 63.100 -0.042 0.000 0.828 380 P CB 0.294 31.915 31.700 -0.133 0.000 0.783 381 D N -2.990 117.631 120.400 0.367 0.000 2.388 381 D HA 0.031 4.670 4.640 -0.001 0.000 0.221 381 D C 0.203 176.569 176.300 0.111 0.000 1.133 381 D CA -0.348 53.779 54.000 0.212 0.000 0.831 381 D CB -0.668 40.224 40.800 0.154 0.000 0.962 381 D HN 0.203 nan 8.370 nan 0.000 0.502 382 Y N 2.805 123.117 120.300 0.020 0.000 2.702 382 Y HA 0.071 4.621 4.550 -0.001 0.000 0.336 382 Y C -1.236 174.644 175.900 -0.033 0.000 1.235 382 Y CA -0.867 57.202 58.100 -0.051 0.000 1.492 382 Y CB 0.921 39.347 38.460 -0.057 0.000 1.308 382 Y HN -0.058 nan 8.280 nan 0.000 0.589 383 P HA 0.144 nan 4.420 nan 0.000 0.259 383 P C 0.398 177.374 177.300 -0.540 0.000 1.530 383 P CA 0.222 62.739 63.100 -0.972 0.000 1.022 383 P CB 0.441 31.693 31.700 -0.747 0.000 1.514 384 T N -0.648 113.715 114.554 -0.318 0.000 2.809 384 T HA 0.055 4.404 4.350 -0.001 0.000 0.260 384 T C 1.076 175.611 174.700 -0.276 0.000 1.039 384 T CA 1.079 63.035 62.100 -0.241 0.000 1.141 384 T CB -0.123 68.650 68.868 -0.159 0.000 0.869 384 T HN 0.113 nan 8.240 nan 0.000 0.437 385 V N -0.637 119.087 119.914 -0.317 0.000 3.130 385 V HA 0.902 5.021 4.120 -0.001 0.000 0.310 385 V C -1.161 174.716 176.094 -0.361 0.000 1.158 385 V CA -1.264 60.806 62.300 -0.384 0.000 1.029 385 V CB 2.213 33.721 31.823 -0.526 0.000 1.057 385 V HN 0.131 nan 8.190 nan 0.000 0.436 386 N N -0.842 117.653 118.700 -0.340 0.000 2.825 386 N HA 0.553 5.292 4.740 -0.001 0.000 0.253 386 N C -1.509 173.822 175.510 -0.298 0.000 1.426 386 N CA -0.597 52.294 53.050 -0.265 0.000 0.851 386 N CB 1.507 40.000 38.487 0.010 0.000 1.470 386 N HN 0.723 nan 8.380 nan 0.000 0.517 387 Y N 0.540 120.797 120.300 -0.071 0.000 2.296 387 Y HA 0.368 4.918 4.550 -0.002 0.000 0.343 387 Y C 0.672 176.513 175.900 -0.098 0.000 1.292 387 Y CA 0.362 58.383 58.100 -0.131 0.000 1.490 387 Y CB 0.423 38.744 38.460 -0.231 0.000 1.359 387 Y HN 0.339 nan 8.280 nan 0.000 0.599 388 H N -0.189 118.849 119.070 -0.052 0.000 3.140 388 H HA 0.375 4.930 4.556 -0.001 0.000 0.336 388 H C -1.936 173.310 175.328 -0.137 0.000 1.142 388 H CA -0.818 55.153 56.048 -0.129 0.000 1.308 388 H CB 1.710 31.387 29.762 -0.143 0.000 1.970 388 H HN 0.823 nan 8.280 nan 0.000 0.521 389 C N 6.570 125.587 119.300 -0.473 0.000 2.752 389 C HA 0.466 4.925 4.460 -0.001 0.000 0.360 389 C C 0.000 174.851 174.990 -0.233 0.000 1.081 389 C CA -0.370 58.485 59.018 -0.271 0.000 1.272 389 C CB 0.432 28.032 27.740 -0.234 0.000 1.754 389 C HN 0.961 nan 8.230 nan 0.000 0.483 390 M N 3.440 123.003 119.600 -0.062 0.000 2.340 390 M HA 0.238 4.717 4.480 -0.001 0.000 0.345 390 M C 0.211 176.548 176.300 0.062 0.000 1.008 390 M CA 0.284 55.613 55.300 0.049 0.000 0.987 390 M CB 0.761 33.483 32.600 0.204 0.000 1.598 390 M HN 0.628 nan 8.290 nan 0.000 0.569 391 S N 1.692 117.439 115.700 0.077 0.000 2.733 391 S HA 0.779 5.248 4.470 -0.001 0.000 0.294 391 S C -1.077 173.577 174.600 0.090 0.000 1.149 391 S CA -0.495 57.789 58.200 0.139 0.000 1.034 391 S CB 1.204 64.544 63.200 0.233 0.000 1.015 391 S HN 0.397 nan 8.310 nan 0.000 0.486 392 M N 4.784 124.395 119.600 0.019 0.000 2.414 392 M HA 0.674 5.153 4.480 -0.001 0.000 0.287 392 M C -0.810 175.062 176.300 -0.714 0.000 1.181 392 M CA -0.077 55.083 55.300 -0.233 0.000 0.933 392 M CB 1.674 34.262 32.600 -0.019 0.000 1.732 392 M HN 0.864 nan 8.290 nan 0.000 0.486 393 G N 1.691 109.638 108.800 -1.422 0.000 2.428 393 G HA2 0.576 4.535 3.960 -0.001 0.000 0.304 393 G HA3 0.576 4.535 3.960 -0.001 0.000 0.304 393 G C -2.338 171.736 174.900 -1.377 0.000 1.303 393 G CA -0.565 43.491 45.100 -1.740 0.000 0.825 393 G HN 0.647 nan 8.290 nan 0.000 0.484 394 V N -0.510 118.889 119.914 -0.859 0.000 2.604 394 V HA 0.653 4.772 4.120 -0.001 0.000 0.305 394 V C -0.620 175.523 176.094 0.082 0.000 1.043 394 V CA -0.640 61.425 62.300 -0.392 0.000 0.888 394 V CB 1.361 32.927 31.823 -0.429 0.000 0.995 394 V HN 1.022 nan 8.190 nan 0.000 0.429 395 C N 6.071 125.554 119.300 0.305 0.000 2.481 395 C HA 0.602 5.061 4.460 -0.001 0.000 0.324 395 C C 0.670 176.000 174.990 0.565 0.000 1.170 395 C CA -0.758 58.534 59.018 0.456 0.000 1.361 395 C CB 0.486 28.524 27.740 0.497 0.000 1.977 395 C HN 1.022 nan 8.230 nan 0.000 0.459 396 R N 4.335 125.065 120.500 0.383 0.000 3.109 396 R HA -0.219 4.120 4.340 -0.001 0.000 0.241 396 R C 0.575 177.044 176.300 0.280 0.000 0.882 396 R CA 1.511 57.764 56.100 0.257 0.000 0.604 396 R CB -1.709 28.586 30.300 -0.009 0.000 1.040 396 R HN 1.113 nan 8.270 nan 0.000 0.480 397 N N -1.501 117.337 118.700 0.230 0.000 2.800 397 N HA -0.225 4.514 4.740 -0.001 0.000 0.250 397 N C -0.753 174.733 175.510 -0.041 0.000 1.078 397 N CA 1.537 54.665 53.050 0.131 0.000 0.804 397 N CB -0.430 38.157 38.487 0.167 0.000 1.135 397 N HN 0.574 nan 8.380 nan 0.000 0.565 398 R N 0.278 120.776 120.500 -0.002 0.000 2.686 398 R HA 0.490 4.829 4.340 -0.001 0.000 0.286 398 R C -0.871 175.260 176.300 -0.281 0.000 0.969 398 R CA -1.035 54.946 56.100 -0.198 0.000 0.898 398 R CB 1.739 31.849 30.300 -0.316 0.000 1.183 398 R HN 0.014 nan 8.270 nan 0.000 0.456 399 L N 3.010 124.012 121.223 -0.368 0.000 2.360 399 L HA 0.354 4.693 4.340 -0.001 0.000 0.276 399 L C -1.305 175.345 176.870 -0.367 0.000 1.121 399 L CA 0.579 55.208 54.840 -0.353 0.000 0.845 399 L CB 0.151 42.132 42.059 -0.131 0.000 1.143 399 L HN 0.409 nan 8.230 nan 0.000 0.452 400 F N 4.304 124.054 119.950 -0.333 0.000 2.495 400 F HA 0.780 5.306 4.527 -0.001 0.000 0.327 400 F C 0.203 175.838 175.800 -0.275 0.000 1.103 400 F CA -0.323 57.526 58.000 -0.252 0.000 0.949 400 F CB 1.971 40.717 39.000 -0.423 0.000 1.142 400 F HN 0.615 nan 8.300 nan 0.000 0.457 401 A N 3.385 126.235 122.820 0.051 0.000 2.455 401 A HA 0.705 5.024 4.320 -0.001 0.000 0.300 401 A C -1.398 176.155 177.584 -0.050 0.000 1.040 401 A CA -0.741 51.273 52.037 -0.037 0.000 0.697 401 A CB 1.450 20.390 19.000 -0.101 0.000 1.265 401 A HN 0.703 nan 8.150 nan 0.000 0.407 402 M N 3.851 123.430 119.600 -0.035 0.000 2.201 402 M HA 0.378 4.857 4.480 -0.001 0.000 0.345 402 M C -1.136 175.049 176.300 -0.192 0.000 1.352 402 M CA -0.538 54.730 55.300 -0.054 0.000 1.218 402 M CB -0.430 32.207 32.600 0.061 0.000 1.512 402 M HN 0.461 nan 8.290 nan 0.000 0.447 403 I N 5.074 125.402 120.570 -0.403 0.000 2.301 403 I HA 0.221 4.390 4.170 -0.001 0.000 0.292 403 I C 0.196 176.122 176.117 -0.320 0.000 1.046 403 I CA -0.045 60.872 61.300 -0.638 0.000 1.282 403 I CB 0.095 37.109 38.000 -1.643 0.000 1.409 403 I HN 0.672 nan 8.210 nan 0.000 0.484 404 E N 4.134 124.255 120.200 -0.131 0.000 2.283 404 E HA 0.422 4.771 4.350 -0.001 0.000 0.271 404 E C -0.418 176.208 176.600 0.044 0.000 1.031 404 E CA -0.510 55.883 56.400 -0.012 0.000 0.868 404 E CB 1.359 31.090 29.700 0.051 0.000 1.094 404 E HN 0.409 nan 8.360 nan 0.000 0.401 405 T N 2.799 117.354 114.554 0.002 0.000 2.779 405 T HA 0.466 4.815 4.350 -0.001 0.000 0.280 405 T C -0.316 174.291 174.700 -0.154 0.000 0.987 405 T CA -0.746 61.298 62.100 -0.093 0.000 0.966 405 T CB 0.696 69.493 68.868 -0.118 0.000 0.933 405 T HN 0.291 nan 8.240 nan 0.000 0.442 406 R N 0.995 121.370 120.500 -0.207 0.000 2.795 406 R HA 0.614 4.953 4.340 -0.001 0.000 0.275 406 R C -0.108 176.055 176.300 -0.229 0.000 0.981 406 R CA -1.070 54.902 56.100 -0.214 0.000 0.917 406 R CB 1.434 31.579 30.300 -0.258 0.000 1.202 406 R HN 0.718 nan 8.270 nan 0.000 0.469 407 T N -0.596 113.838 114.554 -0.200 0.000 2.907 407 T HA 0.139 4.488 4.350 -0.001 0.000 0.298 407 T C 1.219 175.806 174.700 -0.188 0.000 1.017 407 T CA -0.580 61.405 62.100 -0.192 0.000 1.118 407 T CB 0.671 69.448 68.868 -0.152 0.000 0.948 407 T HN 0.350 nan 8.240 nan 0.000 0.531 408 L N 2.706 123.808 121.223 -0.202 0.000 2.093 408 L HA 0.104 4.443 4.340 -0.001 0.000 0.208 408 L C 2.924 179.709 176.870 -0.143 0.000 1.085 408 L CA 2.015 56.743 54.840 -0.186 0.000 0.755 408 L CB -1.168 40.747 42.059 -0.241 0.000 0.904 408 L HN 0.980 nan 8.230 nan 0.000 0.435 409 A N -1.098 121.644 122.820 -0.131 0.000 1.902 409 A HA -0.137 4.182 4.320 -0.001 0.000 0.217 409 A C 2.085 179.619 177.584 -0.083 0.000 1.181 409 A CA 1.598 53.577 52.037 -0.096 0.000 0.623 409 A CB -0.101 18.848 19.000 -0.086 0.000 0.818 409 A HN 0.263 nan 8.150 nan 0.000 0.443 410 K N -2.391 117.953 120.400 -0.094 0.000 2.477 410 K HA 0.109 4.428 4.320 -0.001 0.000 0.208 410 K C 0.008 176.546 176.600 -0.102 0.000 1.117 410 K CA 0.345 56.583 56.287 -0.082 0.000 1.039 410 K CB 0.469 32.928 32.500 -0.068 0.000 0.937 410 K HN 0.405 nan 8.250 nan 0.000 0.570 411 N N 1.264 119.882 118.700 -0.136 0.000 2.747 411 N HA -0.186 4.553 4.740 -0.001 0.000 0.249 411 N C -0.856 174.547 175.510 -0.178 0.000 1.107 411 N CA 0.809 53.750 53.050 -0.182 0.000 0.707 411 N CB -1.026 37.346 38.487 -0.191 0.000 1.054 411 N HN 0.330 nan 8.380 nan 0.000 0.555 412 A N 0.158 122.891 122.820 -0.145 0.000 2.331 412 A HA 0.535 4.854 4.320 -0.001 0.000 0.283 412 A C 0.322 177.825 177.584 -0.135 0.000 1.142 412 A CA -0.511 51.453 52.037 -0.122 0.000 0.812 412 A CB 0.582 19.526 19.000 -0.092 0.000 1.074 412 A HN 0.419 nan 8.150 nan 0.000 0.497 413 L N 3.222 124.373 121.223 -0.120 0.000 2.455 413 L HA 0.319 4.658 4.340 -0.001 0.000 0.272 413 L C 1.455 178.275 176.870 -0.084 0.000 1.174 413 L CA 1.720 56.496 54.840 -0.107 0.000 0.869 413 L CB 0.790 42.800 42.059 -0.080 0.000 1.130 413 L HN 0.877 nan 8.230 nan 0.000 0.474 414 T N 0.493 114.995 114.554 -0.087 0.000 2.955 414 T HA 0.321 4.671 4.350 -0.001 0.000 0.251 414 T C 0.439 175.114 174.700 -0.042 0.000 1.002 414 T CA 0.092 62.150 62.100 -0.070 0.000 0.970 414 T CB -0.155 68.654 68.868 -0.097 0.000 1.091 414 T HN 0.539 nan 8.240 nan 0.000 0.495 415 N N -0.965 117.715 118.700 -0.034 0.000 2.555 415 N HA 0.492 5.231 4.740 -0.001 0.000 0.265 415 N C -2.169 173.343 175.510 0.004 0.000 1.135 415 N CA -0.523 52.528 53.050 0.001 0.000 0.925 415 N CB 1.818 40.327 38.487 0.038 0.000 1.662 415 N HN 0.270 nan 8.380 nan 0.000 0.489 416 C N 2.187 121.490 119.300 0.005 0.000 2.379 416 C HA 0.979 5.438 4.460 -0.001 0.000 0.323 416 C C -0.243 174.766 174.990 0.031 0.000 1.262 416 C CA -0.409 58.605 59.018 -0.006 0.000 1.581 416 C CB 0.105 27.814 27.740 -0.051 0.000 2.221 416 C HN 0.764 nan 8.230 nan 0.000 0.497 417 A N 2.749 125.587 122.820 0.030 0.000 2.393 417 A HA 0.768 5.088 4.320 -0.001 0.000 0.306 417 A C -1.232 176.417 177.584 0.108 0.000 1.050 417 A CA -0.468 51.644 52.037 0.125 0.000 0.724 417 A CB 0.913 20.083 19.000 0.284 0.000 1.248 417 A HN 0.837 nan 8.150 nan 0.000 0.424 418 L N 2.427 123.767 121.223 0.195 0.000 2.278 418 L HA 0.612 4.951 4.340 -0.001 0.000 0.287 418 L C -1.400 175.685 176.870 0.358 0.000 1.072 418 L CA -0.032 54.929 54.840 0.203 0.000 0.819 418 L CB -0.075 42.093 42.059 0.182 0.000 1.176 418 L HN 0.630 nan 8.230 nan 0.000 0.435 419 W N 4.011 125.254 121.300 -0.095 0.000 2.478 419 W HA 0.502 5.161 4.660 -0.002 0.000 0.318 419 W C -0.489 176.028 176.519 -0.002 0.000 1.062 419 W CA -1.153 56.107 57.345 -0.142 0.000 1.210 419 W CB 1.332 30.445 29.460 -0.579 0.000 1.325 419 W HN 0.666 nan 8.180 nan 0.000 0.496 420 D N 0.798 121.343 120.400 0.242 0.000 2.581 420 D HA 0.778 5.417 4.640 -0.001 0.000 0.232 420 D C -1.140 175.118 176.300 -0.070 0.000 1.143 420 D CA -1.060 52.878 54.000 -0.104 0.000 0.881 420 D CB 2.168 42.425 40.800 -0.905 0.000 1.500 420 D HN 0.308 nan 8.370 nan 0.000 0.458 421 R N 0.409 120.722 120.500 -0.313 0.000 2.594 421 R HA 0.417 4.756 4.340 -0.001 0.000 0.265 421 R C -2.905 173.183 176.300 -0.354 0.000 1.070 421 R CA -1.993 53.824 56.100 -0.471 0.000 0.909 421 R CB 2.182 31.858 30.300 -1.040 0.000 1.243 421 R HN 0.403 nan 8.270 nan 0.000 0.455 422 P HA 0.078 nan 4.420 nan 0.000 0.271 422 P C -0.532 176.717 177.300 -0.085 0.000 1.216 422 P CA -0.139 62.836 63.100 -0.209 0.000 0.776 422 P CB 0.696 32.284 31.700 -0.187 0.000 0.881 423 M N 1.285 120.802 119.600 -0.138 0.000 2.242 423 M HA 0.136 4.615 4.480 -0.001 0.000 0.344 423 M C 0.744 177.045 176.300 0.000 0.000 1.140 423 M CA 0.151 55.355 55.300 -0.161 0.000 1.160 423 M CB -0.096 32.121 32.600 -0.638 0.000 1.491 423 M HN 0.272 nan 8.290 nan 0.000 0.459 424 S N 3.221 118.957 115.700 0.059 0.000 2.531 424 S HA 0.413 4.882 4.470 -0.001 0.000 0.279 424 S C 0.011 174.704 174.600 0.155 0.000 1.305 424 S CA -0.383 57.882 58.200 0.108 0.000 1.058 424 S CB 0.422 63.696 63.200 0.123 0.000 0.899 424 S HN 0.464 nan 8.310 nan 0.000 0.493 425 R N 1.102 121.671 120.500 0.115 0.000 2.740 425 R HA 0.553 4.892 4.340 -0.001 0.000 0.273 425 R C -1.192 175.117 176.300 0.015 0.000 0.998 425 R CA -0.759 55.393 56.100 0.087 0.000 0.900 425 R CB 1.862 32.217 30.300 0.091 0.000 1.223 425 R HN 0.652 nan 8.270 nan 0.000 0.466 426 S N 2.124 117.798 115.700 -0.045 0.000 2.478 426 S HA 0.601 5.070 4.470 -0.001 0.000 0.312 426 S C -0.449 173.919 174.600 -0.386 0.000 1.094 426 S CA -0.862 57.243 58.200 -0.158 0.000 1.081 426 S CB 0.822 63.972 63.200 -0.083 0.000 1.007 426 S HN 0.422 nan 8.310 nan 0.000 0.475 427 L N 4.115 125.068 121.223 -0.451 0.000 2.346 427 L HA 0.542 4.881 4.340 -0.001 0.000 0.276 427 L C -0.481 175.980 176.870 -0.681 0.000 1.006 427 L CA -0.839 53.694 54.840 -0.512 0.000 0.817 427 L CB 1.491 43.368 42.059 -0.303 0.000 1.272 427 L HN 0.722 nan 8.230 nan 0.000 0.421 428 H N 5.089 124.049 119.070 -0.183 0.000 2.685 428 H HA 0.549 5.104 4.556 -0.002 0.000 0.307 428 H C -0.675 174.430 175.328 -0.372 0.000 1.017 428 H CA -0.360 55.528 56.048 -0.266 0.000 1.237 428 H CB 1.473 31.193 29.762 -0.070 0.000 1.409 428 H HN 0.390 nan 8.280 nan 0.000 0.488 429 L N 1.437 122.308 121.223 -0.587 0.000 2.279 429 L HA 0.556 4.895 4.340 -0.001 0.000 0.262 429 L C 0.136 176.769 176.870 -0.395 0.000 1.019 429 L CA -0.801 53.708 54.840 -0.552 0.000 0.823 429 L CB 2.274 43.837 42.059 -0.826 0.000 1.358 429 L HN 0.378 nan 8.230 nan 0.000 0.432 430 T N 0.643 115.157 114.554 -0.067 0.000 2.890 430 T HA 0.621 4.970 4.350 -0.001 0.000 0.295 430 T C -0.002 174.862 174.700 0.274 0.000 0.993 430 T CA -0.019 62.159 62.100 0.129 0.000 0.979 430 T CB 1.454 70.362 68.868 0.066 0.000 0.967 430 T HN 1.073 nan 8.240 nan 0.000 0.441 431 G N 1.767 110.817 108.800 0.417 0.000 2.796 431 G HA2 0.265 4.224 3.960 -0.001 0.000 0.226 431 G HA3 0.265 4.224 3.960 -0.001 0.000 0.226 431 G C 0.676 175.816 174.900 0.401 0.000 1.381 431 G CA 0.275 45.549 45.100 0.291 0.000 0.867 431 G HN 1.973 nan 8.290 nan 0.000 0.552 432 G N -2.099 106.809 108.800 0.179 0.000 2.179 432 G HA2 -0.031 3.928 3.960 -0.001 0.000 0.220 432 G HA3 -0.031 3.928 3.960 -0.001 0.000 0.220 432 G C 0.259 175.182 174.900 0.038 0.000 0.990 432 G CA 0.586 45.800 45.100 0.191 0.000 0.646 432 G HN 1.560 nan 8.290 nan 0.000 0.517 433 I N 2.128 122.608 120.570 -0.150 0.000 2.433 433 I HA 0.604 4.773 4.170 -0.001 0.000 0.292 433 I C 0.328 176.320 176.117 -0.208 0.000 1.001 433 I CA -0.381 60.748 61.300 -0.284 0.000 1.119 433 I CB 2.166 39.826 38.000 -0.567 0.000 1.289 433 I HN 0.233 nan 8.210 nan 0.000 0.438 434 T N 2.257 116.707 114.554 -0.174 0.000 2.900 434 T HA 0.569 4.918 4.350 -0.001 0.000 0.295 434 T C -0.805 173.820 174.700 -0.126 0.000 1.044 434 T CA -0.973 61.049 62.100 -0.129 0.000 0.995 434 T CB 2.524 71.339 68.868 -0.088 0.000 1.072 434 T HN 0.607 nan 8.240 nan 0.000 0.473 435 K N 1.302 121.640 120.400 -0.104 0.000 2.601 435 K HA 0.628 4.947 4.320 -0.001 0.000 0.249 435 K C -0.680 175.886 176.600 -0.057 0.000 0.966 435 K CA -0.713 55.523 56.287 -0.085 0.000 0.827 435 K CB 1.770 34.204 32.500 -0.110 0.000 1.178 435 K HN 0.977 nan 8.250 nan 0.000 0.437 436 A N 2.800 125.600 122.820 -0.034 0.000 2.425 436 A HA 0.567 4.886 4.320 -0.001 0.000 0.249 436 A C 0.195 177.767 177.584 -0.021 0.000 1.084 436 A CA -0.073 51.950 52.037 -0.024 0.000 0.781 436 A CB 0.495 19.487 19.000 -0.012 0.000 1.019 436 A HN 0.856 nan 8.150 nan 0.000 0.490 437 A N 2.580 125.387 122.820 -0.022 0.000 2.507 437 A HA 0.356 4.675 4.320 -0.001 0.000 0.235 437 A C 0.962 178.538 177.584 -0.012 0.000 1.070 437 A CA 0.428 52.453 52.037 -0.020 0.000 0.768 437 A CB -0.294 18.694 19.000 -0.019 0.000 1.011 437 A HN 1.379 nan 8.150 nan 0.000 0.502 438 N N -1.236 117.456 118.700 -0.014 0.000 2.753 438 N HA -0.179 4.560 4.740 -0.001 0.000 0.251 438 N C -0.151 175.360 175.510 0.001 0.000 1.097 438 N CA 1.830 54.875 53.050 -0.008 0.000 0.786 438 N CB -1.013 37.471 38.487 -0.006 0.000 1.137 438 N HN 0.894 nan 8.380 nan 0.000 0.566 439 Q N -0.443 119.360 119.800 0.004 0.000 2.511 439 Q HA 0.474 4.813 4.340 -0.001 0.000 0.289 439 Q C 0.110 176.116 176.000 0.009 0.000 1.021 439 Q CA -0.638 55.182 55.803 0.030 0.000 0.785 439 Q CB 1.239 30.015 28.738 0.064 0.000 1.472 439 Q HN 0.095 nan 8.270 nan 0.000 0.411 440 R N 0.341 120.844 120.500 0.005 0.000 2.334 440 R HA 0.237 4.576 4.340 -0.001 0.000 0.212 440 R C -0.226 175.961 176.300 -0.188 0.000 0.897 440 R CA 0.051 56.081 56.100 -0.118 0.000 1.056 440 R CB 0.565 30.746 30.300 -0.198 0.000 1.046 440 R HN 0.457 nan 8.270 nan 0.000 0.513 441 Y N 0.711 120.977 120.300 -0.056 0.000 2.304 441 Y HA 0.393 4.942 4.550 -0.001 0.000 0.327 441 Y C 0.522 176.363 175.900 -0.098 0.000 1.209 441 Y CA -0.673 57.387 58.100 -0.065 0.000 1.299 441 Y CB 1.093 39.529 38.460 -0.041 0.000 1.249 441 Y HN -0.031 nan 8.280 nan 0.000 0.519 442 A N 1.378 124.208 122.820 0.017 0.000 2.386 442 A HA 0.704 5.023 4.320 -0.001 0.000 0.311 442 A C -0.804 176.715 177.584 -0.108 0.000 1.068 442 A CA -0.742 51.237 52.037 -0.097 0.000 0.743 442 A CB 0.924 19.788 19.000 -0.225 0.000 1.258 442 A HN 0.637 nan 8.150 nan 0.000 0.429 443 T N 3.330 117.805 114.554 -0.133 0.000 2.767 443 T HA 0.504 4.853 4.350 -0.001 0.000 0.284 443 T C -0.217 174.338 174.700 -0.241 0.000 0.973 443 T CA -0.127 61.880 62.100 -0.155 0.000 0.996 443 T CB 0.327 69.147 68.868 -0.080 0.000 0.927 443 T HN 0.397 nan 8.240 nan 0.000 0.456 444 I N 3.665 123.983 120.570 -0.420 0.000 2.362 444 I HA 0.228 4.397 4.170 -0.001 0.000 0.289 444 I C 0.325 176.258 176.117 -0.306 0.000 0.994 444 I CA -0.717 60.304 61.300 -0.465 0.000 1.158 444 I CB 0.950 38.431 38.000 -0.865 0.000 1.315 444 I HN 0.692 nan 8.210 nan 0.000 0.451 445 H N 6.817 125.833 119.070 -0.090 0.000 2.741 445 H HA 0.504 5.059 4.556 -0.002 0.000 0.282 445 H C -1.572 173.847 175.328 0.152 0.000 1.122 445 H CA -0.261 55.809 56.048 0.037 0.000 1.293 445 H CB 1.151 30.944 29.762 0.052 0.000 1.415 445 H HN 0.332 nan 8.280 nan 0.000 0.472 446 V N 8.472 128.344 119.914 -0.070 0.000 2.445 446 V HA 0.195 4.314 4.120 -0.001 0.000 0.283 446 V C -2.299 173.799 176.094 0.007 0.000 1.014 446 V CA -1.659 60.677 62.300 0.060 0.000 0.852 446 V CB 1.607 33.597 31.823 0.278 0.000 1.021 446 V HN 0.737 nan 8.190 nan 0.000 0.435 447 P HA 0.131 nan 4.420 nan 0.000 0.265 447 P C 0.037 177.319 177.300 -0.029 0.000 1.193 447 P CA 0.522 63.568 63.100 -0.090 0.000 0.765 447 P CB 0.239 31.912 31.700 -0.044 0.000 0.823 448 D N 0.984 121.324 120.400 -0.100 0.000 2.708 448 D HA -0.208 4.431 4.640 -0.001 0.000 0.236 448 D C 0.964 177.182 176.300 -0.136 0.000 1.146 448 D CA 1.046 54.943 54.000 -0.171 0.000 0.662 448 D CB -1.432 39.309 40.800 -0.098 0.000 1.059 448 D HN 0.711 nan 8.370 nan 0.000 0.428 449 H N -1.387 117.689 119.070 0.010 0.000 2.387 449 H HA 0.105 4.661 4.556 -0.001 0.000 0.299 449 H C 1.918 177.229 175.328 -0.028 0.000 1.090 449 H CA 1.753 57.820 56.048 0.032 0.000 1.332 449 H CB -0.290 29.549 29.762 0.128 0.000 1.386 449 H HN 0.338 nan 8.280 nan 0.000 0.516 450 G N 0.159 108.823 108.800 -0.227 0.000 2.153 450 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.252 450 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.252 450 G C -0.084 174.745 174.900 -0.118 0.000 0.994 450 G CA 0.462 45.531 45.100 -0.052 0.000 0.698 450 G HN 0.469 nan 8.290 nan 0.000 0.521 451 L N -0.660 120.611 121.223 0.080 0.000 2.360 451 L HA 0.819 5.158 4.340 -0.001 0.000 0.271 451 L C 0.359 177.155 176.870 -0.124 0.000 1.057 451 L CA -1.195 53.550 54.840 -0.159 0.000 0.803 451 L CB 0.854 42.749 42.059 -0.272 0.000 1.207 451 L HN -0.036 nan 8.230 nan 0.000 0.445 452 F N -0.195 119.779 119.950 0.039 0.000 2.575 452 F HA 0.433 4.959 4.527 -0.001 0.000 0.330 452 F C 0.261 176.057 175.800 -0.007 0.000 1.056 452 F CA -1.295 56.732 58.000 0.045 0.000 0.964 452 F CB 1.100 40.119 39.000 0.031 0.000 1.258 452 F HN -0.060 nan 8.300 nan 0.000 0.484 453 V N 1.774 121.831 119.914 0.239 0.000 2.681 453 V HA 0.268 4.387 4.120 -0.001 0.000 0.306 453 V C 1.005 177.156 176.094 0.095 0.000 1.077 453 V CA 1.788 64.165 62.300 0.129 0.000 1.224 453 V CB -0.063 31.823 31.823 0.104 0.000 0.879 453 V HN 1.084 nan 8.190 nan 0.000 0.494 454 G N 3.676 112.512 108.800 0.060 0.000 2.217 454 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.246 454 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.246 454 G C -0.023 174.892 174.900 0.025 0.000 0.990 454 G CA 0.067 45.191 45.100 0.041 0.000 0.627 454 G HN 0.682 nan 8.290 nan 0.000 0.522 455 D N -0.001 120.403 120.400 0.005 0.000 2.399 455 D HA 0.424 5.063 4.640 -0.001 0.000 0.241 455 D C 0.439 176.741 176.300 0.002 0.000 1.133 455 D CA -0.317 53.670 54.000 -0.021 0.000 0.890 455 D CB 0.465 41.213 40.800 -0.087 0.000 1.201 455 D HN 0.162 nan 8.370 nan 0.000 0.432 456 F N 2.077 121.966 119.950 -0.101 0.000 2.538 456 F HA 0.257 4.783 4.527 -0.002 0.000 0.371 456 F C -0.076 175.669 175.800 -0.092 0.000 1.087 456 F CA -0.214 57.743 58.000 -0.071 0.000 1.250 456 F CB 0.450 39.411 39.000 -0.065 0.000 1.110 456 F HN 0.045 nan 8.300 nan 0.000 0.570 457 V N 3.372 122.878 119.914 -0.681 0.000 2.668 457 V HA 0.445 4.564 4.120 -0.001 0.000 0.304 457 V C -1.146 174.442 176.094 -0.843 0.000 1.071 457 V CA -1.051 60.901 62.300 -0.580 0.000 0.894 457 V CB 1.301 32.954 31.823 -0.284 0.000 1.008 457 V HN 0.832 nan 8.190 nan 0.000 0.425 458 N N 2.997 121.301 118.700 -0.661 0.000 2.405 458 N HA 0.783 5.522 4.740 -0.001 0.000 0.299 458 N C -1.496 173.767 175.510 -0.413 0.000 1.075 458 N CA -0.447 52.381 53.050 -0.371 0.000 0.884 458 N CB 1.467 39.972 38.487 0.029 0.000 1.194 458 N HN 0.622 nan 8.380 nan 0.000 0.491 459 F N 0.865 120.874 119.950 0.099 0.000 2.551 459 F HA 0.570 5.096 4.527 -0.002 0.000 0.316 459 F C 0.229 176.144 175.800 0.192 0.000 1.089 459 F CA -0.754 57.361 58.000 0.193 0.000 0.915 459 F CB 2.291 41.361 39.000 0.118 0.000 1.186 459 F HN 0.316 nan 8.300 nan 0.000 0.456 460 S N 2.185 118.168 115.700 0.473 0.000 2.575 460 S HA 0.369 4.838 4.470 -0.001 0.000 0.278 460 S C -0.516 174.348 174.600 0.439 0.000 1.139 460 S CA -0.718 57.703 58.200 0.370 0.000 0.954 460 S CB 0.559 63.932 63.200 0.289 0.000 1.054 460 S HN 0.781 nan 8.310 nan 0.000 0.483 461 N N 1.856 120.736 118.700 0.299 0.000 2.725 461 N HA -0.179 4.560 4.740 -0.001 0.000 0.249 461 N C 1.036 176.689 175.510 0.238 0.000 1.103 461 N CA 1.052 54.257 53.050 0.258 0.000 0.707 461 N CB -1.647 37.028 38.487 0.313 0.000 1.043 461 N HN 0.784 nan 8.380 nan 0.000 0.553 462 S N -0.300 115.493 115.700 0.155 0.000 2.423 462 S HA 0.128 4.597 4.470 -0.001 0.000 0.231 462 S C 1.492 176.004 174.600 -0.147 0.000 1.014 462 S CA 1.449 59.609 58.200 -0.067 0.000 0.965 462 S CB -0.046 63.020 63.200 -0.224 0.000 0.785 462 S HN 1.283 nan 8.310 nan 0.000 0.495 463 A N -0.773 122.013 122.820 -0.058 0.000 2.861 463 A HA -0.108 4.211 4.320 -0.001 0.000 0.261 463 A C 0.306 177.820 177.584 -0.116 0.000 1.351 463 A CA 0.920 52.919 52.037 -0.063 0.000 0.904 463 A CB -2.393 16.587 19.000 -0.033 0.000 1.076 463 A HN 1.063 nan 8.150 nan 0.000 0.729 464 V N 1.485 121.297 119.914 -0.168 0.000 2.380 464 V HA 0.371 4.490 4.120 -0.001 0.000 0.286 464 V C 0.635 176.626 176.094 -0.171 0.000 1.015 464 V CA 0.005 62.191 62.300 -0.190 0.000 0.834 464 V CB 1.359 33.015 31.823 -0.279 0.000 1.009 464 V HN 0.491 nan 8.190 nan 0.000 0.428 465 T N 3.753 118.234 114.554 -0.123 0.000 2.866 465 T HA 0.341 4.690 4.350 -0.001 0.000 0.293 465 T C 1.389 176.014 174.700 -0.125 0.000 1.005 465 T CA 1.313 63.353 62.100 -0.101 0.000 1.162 465 T CB 0.465 69.288 68.868 -0.075 0.000 0.968 465 T HN 1.449 nan 8.240 nan 0.000 0.530 466 G N 2.156 110.888 108.800 -0.114 0.000 2.241 466 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.244 466 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.244 466 G C 0.264 175.058 174.900 -0.177 0.000 0.998 466 G CA -0.138 44.886 45.100 -0.126 0.000 0.621 466 G HN 0.809 nan 8.290 nan 0.000 0.519 467 V N 1.819 121.583 119.914 -0.251 0.000 2.299 467 V HA 0.665 4.784 4.120 -0.001 0.000 0.255 467 V C 0.418 176.370 176.094 -0.235 0.000 1.100 467 V CA 0.629 62.672 62.300 -0.429 0.000 0.938 467 V CB 0.680 32.105 31.823 -0.663 0.000 1.139 467 V HN 0.822 nan 8.190 nan 0.000 0.490 468 S N 3.506 119.166 115.700 -0.066 0.000 2.543 468 S HA 0.713 5.182 4.470 -0.001 0.000 0.273 468 S C 0.015 174.698 174.600 0.139 0.000 1.152 468 S CA 0.575 58.824 58.200 0.082 0.000 0.910 468 S CB 1.430 64.646 63.200 0.027 0.000 1.105 468 S HN 1.817 nan 8.310 nan 0.000 0.465 469 G N 3.857 112.766 108.800 0.182 0.000 2.601 469 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.252 469 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.252 469 G C -1.149 173.812 174.900 0.103 0.000 1.294 469 G CA 0.188 45.370 45.100 0.136 0.000 0.912 469 G HN 0.836 nan 8.290 nan 0.000 0.574 470 D N 1.527 121.962 120.400 0.060 0.000 2.358 470 D HA 0.545 5.184 4.640 -0.001 0.000 0.258 470 D C 0.961 177.204 176.300 -0.096 0.000 1.223 470 D CA 0.827 54.788 54.000 -0.066 0.000 0.886 470 D CB 0.559 41.450 40.800 0.153 0.000 1.120 470 D HN 0.519 nan 8.370 nan 0.000 0.482 471 M N 0.548 120.007 119.600 -0.236 0.000 2.846 471 M HA 0.454 4.933 4.480 -0.001 0.000 0.282 471 M C -0.020 176.183 176.300 -0.162 0.000 1.266 471 M CA -0.883 54.369 55.300 -0.080 0.000 0.766 471 M CB 2.352 35.022 32.600 0.118 0.000 1.739 471 M HN 0.246 nan 8.290 nan 0.000 0.442 472 T N -1.686 112.852 114.554 -0.026 0.000 2.906 472 T HA 0.651 5.000 4.350 -0.001 0.000 0.295 472 T C -0.623 174.112 174.700 0.059 0.000 1.075 472 T CA -0.875 61.218 62.100 -0.012 0.000 1.005 472 T CB 1.386 70.264 68.868 0.017 0.000 1.136 472 T HN 0.364 nan 8.240 nan 0.000 0.498 473 V N 2.559 122.489 119.914 0.026 0.000 2.479 473 V HA 0.424 4.543 4.120 -0.001 0.000 0.281 473 V C 1.511 177.680 176.094 0.124 0.000 1.031 473 V CA 0.465 62.807 62.300 0.070 0.000 1.038 473 V CB -0.065 31.693 31.823 -0.108 0.000 0.981 473 V HN 1.207 nan 8.190 nan 0.000 0.478 474 A N 4.834 127.772 122.820 0.196 0.000 1.861 474 A HA 0.190 4.510 4.320 -0.001 0.000 0.212 474 A C 1.169 178.859 177.584 0.176 0.000 1.199 474 A CA 1.295 53.454 52.037 0.203 0.000 0.613 474 A CB -0.011 19.180 19.000 0.319 0.000 0.846 474 A HN 0.851 nan 8.150 nan 0.000 0.446 475 T N -3.819 110.848 114.554 0.187 0.000 2.896 475 T HA 0.599 4.948 4.350 -0.001 0.000 0.297 475 T C -1.108 173.712 174.700 0.199 0.000 1.108 475 T CA -0.667 61.520 62.100 0.144 0.000 1.004 475 T CB 1.712 70.621 68.868 0.068 0.000 1.159 475 T HN 0.255 nan 8.240 nan 0.000 0.499 476 V N 3.318 123.350 119.914 0.196 0.000 2.357 476 V HA 0.376 4.495 4.120 -0.001 0.000 0.284 476 V C 1.132 177.350 176.094 0.206 0.000 1.018 476 V CA -0.693 61.764 62.300 0.262 0.000 0.841 476 V CB 0.766 32.785 31.823 0.327 0.000 0.991 476 V HN 0.940 nan 8.190 nan 0.000 0.437 477 I N 2.936 123.627 120.570 0.203 0.000 2.235 477 I HA 0.009 4.178 4.170 -0.001 0.000 0.241 477 I C 0.811 177.019 176.117 0.152 0.000 1.085 477 I CA 1.290 62.675 61.300 0.142 0.000 1.378 477 I CB 0.194 38.261 38.000 0.111 0.000 1.076 477 I HN 0.882 nan 8.210 nan 0.000 0.415 478 D N -1.492 119.030 120.400 0.204 0.000 2.946 478 D HA 0.047 4.687 4.640 -0.001 0.000 0.337 478 D C 0.375 176.791 176.300 0.193 0.000 1.332 478 D CA -0.712 53.388 54.000 0.166 0.000 0.935 478 D CB 0.220 41.088 40.800 0.114 0.000 1.440 478 D HN -0.019 nan 8.370 nan 0.000 0.540 479 K N -0.974 119.459 120.400 0.054 0.000 2.360 479 K HA -0.075 4.244 4.320 -0.001 0.000 0.201 479 K C -0.172 176.317 176.600 -0.185 0.000 1.046 479 K CA 1.433 57.640 56.287 -0.133 0.000 0.945 479 K CB -0.208 32.197 32.500 -0.159 0.000 0.750 479 K HN 0.229 nan 8.250 nan 0.000 0.464 480 D N -0.130 120.303 120.400 0.055 0.000 2.433 480 D HA 0.126 4.765 4.640 -0.001 0.000 0.211 480 D C -0.470 175.935 176.300 0.174 0.000 1.114 480 D CA 0.003 54.040 54.000 0.062 0.000 0.837 480 D CB 0.360 41.132 40.800 -0.048 0.000 0.984 480 D HN 0.181 nan 8.370 nan 0.000 0.505 481 N N 0.640 119.542 118.700 0.337 0.000 2.336 481 N HA 0.357 5.096 4.740 -0.001 0.000 0.290 481 N C -1.098 174.567 175.510 0.258 0.000 1.058 481 N CA -0.462 52.714 53.050 0.210 0.000 0.865 481 N CB 2.490 41.078 38.487 0.167 0.000 1.581 481 N HN -0.069 nan 8.380 nan 0.000 0.480 482 F N -1.138 118.801 119.950 -0.018 0.000 2.643 482 F HA 0.734 5.260 4.527 -0.002 0.000 0.314 482 F C -0.184 175.624 175.800 0.013 0.000 1.096 482 F CA -0.888 57.086 58.000 -0.043 0.000 0.953 482 F CB 1.290 40.156 39.000 -0.224 0.000 1.345 482 F HN 0.260 nan 8.300 nan 0.000 0.468 483 T N -0.073 114.614 114.554 0.222 0.000 2.932 483 T HA 0.810 5.159 4.350 -0.001 0.000 0.289 483 T C -0.823 174.050 174.700 0.289 0.000 1.039 483 T CA -0.388 61.800 62.100 0.147 0.000 1.024 483 T CB 1.566 70.528 68.868 0.156 0.000 1.090 483 T HN 1.564 nan 8.240 nan 0.000 0.496 484 V N 0.092 120.113 119.914 0.179 0.000 2.823 484 V HA 0.800 4.919 4.120 -0.001 0.000 0.312 484 V C -0.718 175.381 176.094 0.008 0.000 1.072 484 V CA -1.335 61.047 62.300 0.138 0.000 0.937 484 V CB 1.423 33.293 31.823 0.079 0.000 1.013 484 V HN 0.992 nan 8.190 nan 0.000 0.430 485 L N 4.444 125.602 121.223 -0.108 0.000 2.278 485 L HA 0.672 5.011 4.340 -0.001 0.000 0.287 485 L C 0.692 177.396 176.870 -0.278 0.000 1.072 485 L CA 0.717 55.295 54.840 -0.436 0.000 0.819 485 L CB 1.001 42.772 42.059 -0.481 0.000 1.176 485 L HN 1.161 nan 8.230 nan 0.000 0.435 486 T N 2.723 117.103 114.554 -0.291 0.000 2.899 486 T HA 0.508 4.857 4.350 -0.001 0.000 0.284 486 T C -1.806 172.789 174.700 -0.174 0.000 1.004 486 T CA -1.473 60.507 62.100 -0.200 0.000 1.043 486 T CB 1.205 69.962 68.868 -0.186 0.000 1.013 486 T HN 0.606 nan 8.240 nan 0.000 0.518 487 P HA 0.139 nan 4.420 nan 0.000 0.249 487 P C -0.470 176.780 177.300 -0.083 0.000 1.229 487 P CA 0.065 63.109 63.100 -0.093 0.000 0.788 487 P CB -0.302 31.359 31.700 -0.065 0.000 1.072 488 N N -0.330 118.314 118.700 -0.093 0.000 2.774 488 N HA 0.405 5.144 4.740 -0.001 0.000 0.264 488 N C -1.163 174.301 175.510 -0.077 0.000 1.415 488 N CA -0.877 52.128 53.050 -0.074 0.000 0.815 488 N CB 0.917 39.367 38.487 -0.061 0.000 1.514 488 N HN -0.106 nan 8.380 nan 0.000 0.523 489 Q N -1.218 118.548 119.800 -0.058 0.000 2.418 489 Q HA 0.596 4.935 4.340 -0.001 0.000 0.282 489 Q C -1.558 174.417 176.000 -0.042 0.000 1.044 489 Q CA -0.934 54.839 55.803 -0.051 0.000 0.813 489 Q CB 1.860 30.574 28.738 -0.039 0.000 1.428 489 Q HN 0.558 nan 8.270 nan 0.000 0.402 490 Q N 0.079 119.855 119.800 -0.041 0.000 2.378 490 Q HA 0.417 4.757 4.340 -0.001 0.000 0.276 490 Q C 0.062 176.045 176.000 -0.028 0.000 1.083 490 Q CA -0.499 55.283 55.803 -0.036 0.000 0.856 490 Q CB 2.017 30.730 28.738 -0.042 0.000 1.383 490 Q HN 0.799 nan 8.270 nan 0.000 0.458 491 T N -0.981 113.558 114.554 -0.025 0.000 3.067 491 T HA 0.145 4.494 4.350 -0.001 0.000 0.257 491 T C 0.079 174.767 174.700 -0.020 0.000 1.105 491 T CA 0.658 62.746 62.100 -0.020 0.000 1.104 491 T CB 0.079 68.937 68.868 -0.017 0.000 0.925 491 T HN 0.582 nan 8.240 nan 0.000 0.498 492 S N 0.451 116.136 115.700 -0.024 0.000 2.599 492 S HA 0.602 5.071 4.470 -0.001 0.000 0.294 492 S C -1.277 173.305 174.600 -0.031 0.000 1.094 492 S CA -1.073 57.112 58.200 -0.025 0.000 0.931 492 S CB 1.574 64.760 63.200 -0.023 0.000 1.093 492 S HN 0.050 nan 8.310 nan 0.000 0.488 493 D N 1.130 121.512 120.400 -0.031 0.000 2.455 493 D HA 0.336 4.976 4.640 -0.001 0.000 0.241 493 D C -0.405 175.867 176.300 -0.046 0.000 1.138 493 D CA 0.400 54.378 54.000 -0.038 0.000 0.877 493 D CB 0.335 41.115 40.800 -0.034 0.000 1.187 493 D HN 0.460 nan 8.370 nan 0.000 0.451 494 L N 2.464 123.651 121.223 -0.060 0.000 2.334 494 L HA 0.448 4.787 4.340 -0.001 0.000 0.276 494 L C 0.039 176.858 176.870 -0.085 0.000 1.014 494 L CA -0.803 53.993 54.840 -0.073 0.000 0.815 494 L CB 1.486 43.491 42.059 -0.090 0.000 1.268 494 L HN 0.245 nan 8.230 nan 0.000 0.428 495 N N 1.315 119.966 118.700 -0.082 0.000 2.616 495 N HA 0.099 4.839 4.740 -0.001 0.000 0.281 495 N C -0.573 174.889 175.510 -0.080 0.000 1.145 495 N CA -0.608 52.391 53.050 -0.085 0.000 0.919 495 N CB 0.922 39.373 38.487 -0.061 0.000 1.509 495 N HN 0.556 nan 8.380 nan 0.000 0.537 496 N N 2.318 120.951 118.700 -0.112 0.000 2.413 496 N HA 0.105 4.844 4.740 -0.001 0.000 0.207 496 N C -0.056 175.445 175.510 -0.015 0.000 1.206 496 N CA -0.230 52.766 53.050 -0.090 0.000 0.832 496 N CB -0.296 38.075 38.487 -0.192 0.000 1.037 496 N HN 0.544 nan 8.380 nan 0.000 0.467 497 A N -0.164 122.651 122.820 -0.008 0.000 2.584 497 A HA 0.414 4.733 4.320 -0.001 0.000 0.239 497 A C 1.613 179.220 177.584 0.038 0.000 1.043 497 A CA 0.551 52.602 52.037 0.023 0.000 0.756 497 A CB -0.880 18.123 19.000 0.004 0.000 0.963 497 A HN 1.018 nan 8.150 nan 0.000 0.511 498 G N 1.764 110.601 108.800 0.061 0.000 2.184 498 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.264 498 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.264 498 G C 0.219 175.163 174.900 0.072 0.000 0.975 498 G CA 0.928 46.062 45.100 0.057 0.000 0.642 498 G HN 0.901 nan 8.290 nan 0.000 0.536 499 K N 0.731 121.193 120.400 0.102 0.000 2.182 499 K HA 0.420 4.739 4.320 -0.001 0.000 0.262 499 K C -0.479 176.252 176.600 0.219 0.000 0.957 499 K CA -0.929 55.432 56.287 0.123 0.000 0.842 499 K CB 0.814 33.367 32.500 0.089 0.000 1.099 499 K HN 0.083 nan 8.250 nan 0.000 0.438 500 N N 3.570 122.362 118.700 0.153 0.000 2.488 500 N HA 0.248 4.987 4.740 -0.001 0.000 0.274 500 N C -0.666 174.936 175.510 0.153 0.000 1.111 500 N CA -0.111 52.996 53.050 0.096 0.000 0.974 500 N CB 0.610 39.105 38.487 0.013 0.000 1.089 500 N HN 0.599 nan 8.380 nan 0.000 0.465 501 W N 0.994 122.175 121.300 -0.198 0.000 3.003 501 W HA 0.454 5.113 4.660 -0.002 0.000 0.362 501 W C -1.554 174.716 176.519 -0.414 0.000 1.213 501 W CA -0.614 56.610 57.345 -0.201 0.000 1.157 501 W CB 0.364 29.830 29.460 0.010 0.000 1.493 501 W HN 0.392 nan 8.180 nan 0.000 0.589 502 H N 0.928 120.162 119.070 0.274 0.000 2.771 502 H HA 0.678 5.233 4.556 -0.001 0.000 0.361 502 H C -0.564 174.822 175.328 0.098 0.000 1.108 502 H CA -0.721 55.336 56.048 0.016 0.000 1.201 502 H CB 2.882 32.721 29.762 0.129 0.000 1.681 502 H HN 0.325 nan 8.280 nan 0.000 0.534 503 M N 1.301 120.863 119.600 -0.063 0.000 2.619 503 M HA 0.569 5.048 4.480 -0.001 0.000 0.297 503 M C -0.227 176.008 176.300 -0.108 0.000 1.229 503 M CA -0.184 55.062 55.300 -0.089 0.000 0.860 503 M CB 2.180 34.733 32.600 -0.078 0.000 1.741 503 M HN 0.949 nan 8.290 nan 0.000 0.462 504 G N 0.555 109.318 108.800 -0.063 0.000 3.732 504 G HA2 -0.071 3.888 3.960 -0.001 0.000 0.220 504 G HA3 -0.071 3.888 3.960 -0.001 0.000 0.220 504 G C -0.225 174.700 174.900 0.042 0.000 0.903 504 G CA 0.140 45.193 45.100 -0.078 0.000 0.896 504 G HN 0.838 nan 8.290 nan 0.000 0.685 505 T N -1.462 113.144 114.554 0.086 0.000 2.943 505 T HA 0.742 5.091 4.350 -0.001 0.000 0.284 505 T C -0.215 174.593 174.700 0.179 0.000 1.015 505 T CA -0.040 62.151 62.100 0.151 0.000 1.042 505 T CB 2.275 71.177 68.868 0.057 0.000 1.055 505 T HN 1.008 nan 8.240 nan 0.000 0.500 506 S N 1.020 116.808 115.700 0.148 0.000 2.720 506 S HA 0.367 4.836 4.470 -0.001 0.000 0.278 506 S C 0.051 174.612 174.600 -0.065 0.000 1.172 506 S CA -0.848 57.338 58.200 -0.023 0.000 1.019 506 S CB 0.701 63.662 63.200 -0.398 0.000 1.049 506 S HN 0.721 nan 8.310 nan 0.000 0.483 507 F N 4.740 124.548 119.950 -0.237 0.000 2.102 507 F HA -0.052 4.474 4.527 -0.002 0.000 0.298 507 F C 1.754 177.273 175.800 -0.468 0.000 1.105 507 F CA 2.276 60.031 58.000 -0.408 0.000 1.239 507 F CB -0.278 38.435 39.000 -0.477 0.000 0.991 507 F HN 0.874 nan 8.300 nan 0.000 0.474 508 H N -0.443 118.584 119.070 -0.072 0.000 2.389 508 H HA -0.017 4.538 4.556 -0.001 0.000 0.299 508 H C 1.592 176.752 175.328 -0.279 0.000 1.081 508 H CA 1.418 57.361 56.048 -0.175 0.000 1.345 508 H CB -0.084 29.652 29.762 -0.043 0.000 1.393 508 H HN 0.055 nan 8.280 nan 0.000 0.520 509 K N 0.708 120.972 120.400 -0.228 0.000 2.404 509 K HA 0.203 4.523 4.320 -0.001 0.000 0.194 509 K C -0.000 176.511 176.600 -0.147 0.000 1.023 509 K CA 0.152 56.289 56.287 -0.251 0.000 1.094 509 K CB 0.790 32.947 32.500 -0.572 0.000 0.841 509 K HN 0.089 nan 8.250 nan 0.000 0.523 510 S N 2.477 118.037 115.700 -0.233 0.000 2.501 510 S HA 0.400 4.869 4.470 -0.001 0.000 0.301 510 S C -2.472 171.909 174.600 -0.366 0.000 1.096 510 S CA -1.288 56.778 58.200 -0.222 0.000 1.063 510 S CB 2.079 65.147 63.200 -0.219 0.000 1.042 510 S HN 0.041 nan 8.310 nan 0.000 0.494 511 P HA 0.187 nan 4.420 nan 0.000 0.276 511 P C -1.002 176.091 177.300 -0.345 0.000 1.244 511 P CA -0.651 62.283 63.100 -0.276 0.000 0.801 511 P CB 0.441 32.059 31.700 -0.137 0.000 1.006 512 W N 1.301 122.390 121.300 -0.353 0.000 2.210 512 W HA 0.206 4.865 4.660 -0.002 0.000 0.330 512 W C 1.487 177.814 176.519 -0.320 0.000 1.334 512 W CA -0.117 56.996 57.345 -0.386 0.000 1.227 512 W CB 0.188 29.296 29.460 -0.586 0.000 1.178 512 W HN 0.263 nan 8.180 nan 0.000 0.560 513 R N 3.734 124.252 120.500 0.030 0.000 2.234 513 R HA 0.233 4.573 4.340 -0.001 0.000 0.324 513 R C -0.704 175.551 176.300 -0.074 0.000 1.054 513 R CA -0.359 55.732 56.100 -0.014 0.000 0.912 513 R CB 0.314 30.649 30.300 0.058 0.000 1.030 513 R HN 0.434 nan 8.270 nan 0.000 0.455 514 K N 3.198 123.495 120.400 -0.171 0.000 2.358 514 K HA 0.252 4.571 4.320 -0.001 0.000 0.260 514 K C -1.148 175.431 176.600 -0.033 0.000 0.956 514 K CA -0.609 55.542 56.287 -0.225 0.000 0.834 514 K CB 2.339 34.514 32.500 -0.542 0.000 1.102 514 K HN 0.464 nan 8.250 nan 0.000 0.431 515 T N 1.793 116.399 114.554 0.086 0.000 2.821 515 T HA 0.070 4.419 4.350 -0.001 0.000 0.307 515 T C -0.698 174.085 174.700 0.140 0.000 1.034 515 T CA -0.634 61.528 62.100 0.104 0.000 0.953 515 T CB 0.644 69.592 68.868 0.133 0.000 0.968 515 T HN 0.389 nan 8.240 nan 0.000 0.462 516 D N 3.019 123.483 120.400 0.107 0.000 2.371 516 D HA 0.106 4.745 4.640 -0.001 0.000 0.256 516 D C 0.629 176.989 176.300 0.101 0.000 1.193 516 D CA -0.289 53.777 54.000 0.110 0.000 0.881 516 D CB 0.703 41.554 40.800 0.084 0.000 1.143 516 D HN 0.462 nan 8.370 nan 0.000 0.473 517 L N 3.180 124.462 121.223 0.099 0.000 2.667 517 L HA 0.305 4.644 4.340 -0.001 0.000 0.232 517 L C 1.546 178.449 176.870 0.055 0.000 1.138 517 L CA -0.077 54.819 54.840 0.093 0.000 0.921 517 L CB -0.497 41.603 42.059 0.067 0.000 1.180 517 L HN 0.644 nan 8.230 nan 0.000 0.487 518 G N 1.377 110.205 108.800 0.048 0.000 2.641 518 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.254 518 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.254 518 G C -0.592 174.314 174.900 0.010 0.000 1.315 518 G CA -0.255 44.863 45.100 0.030 0.000 0.907 518 G HN 0.071 nan 8.290 nan 0.000 0.572 519 L N 1.013 122.238 121.223 0.003 0.000 2.334 519 L HA 0.558 4.897 4.340 -0.001 0.000 0.286 519 L C 0.883 177.745 176.870 -0.013 0.000 1.108 519 L CA -0.408 54.425 54.840 -0.010 0.000 0.875 519 L CB -0.240 41.813 42.059 -0.010 0.000 1.246 519 L HN 0.423 nan 8.230 nan 0.000 0.439 520 I N 7.416 127.960 120.570 -0.042 0.000 2.668 520 I HA 0.046 4.215 4.170 -0.001 0.000 0.285 520 I C -1.629 174.480 176.117 -0.013 0.000 1.168 520 I CA -1.327 59.934 61.300 -0.064 0.000 1.424 520 I CB 0.034 37.886 38.000 -0.247 0.000 1.377 520 I HN 0.506 nan 8.210 nan 0.000 0.560 521 P HA 0.040 nan 4.420 nan 0.000 0.269 521 P C -0.094 177.251 177.300 0.074 0.000 1.209 521 P CA -0.017 63.109 63.100 0.043 0.000 0.776 521 P CB 0.522 32.251 31.700 0.048 0.000 0.876 522 S N -1.201 114.547 115.700 0.079 0.000 3.628 522 S HA -0.080 4.389 4.470 -0.001 0.000 0.373 522 S C -0.126 174.577 174.600 0.171 0.000 0.968 522 S CA 0.510 58.780 58.200 0.117 0.000 1.215 522 S CB -1.692 61.593 63.200 0.141 0.000 0.912 522 S HN 0.357 nan 8.310 nan 0.000 0.495 523 V N 0.478 120.464 119.914 0.120 0.000 2.623 523 V HA 0.415 4.534 4.120 -0.001 0.000 0.304 523 V C 0.924 177.036 176.094 0.030 0.000 1.054 523 V CA -0.531 61.858 62.300 0.148 0.000 0.882 523 V CB 2.210 34.125 31.823 0.153 0.000 1.002 523 V HN 0.480 nan 8.190 nan 0.000 0.424 524 T N 2.385 116.893 114.554 -0.076 0.000 3.004 524 T HA 0.247 4.596 4.350 -0.001 0.000 0.243 524 T C 0.281 174.896 174.700 -0.141 0.000 1.020 524 T CA 0.536 62.533 62.100 -0.172 0.000 1.145 524 T CB 0.314 68.991 68.868 -0.320 0.000 0.876 524 T HN 0.669 nan 8.240 nan 0.000 0.449 525 E N 0.499 120.604 120.200 -0.158 0.000 2.331 525 E HA 0.526 4.875 4.350 -0.001 0.000 0.275 525 E C -1.674 175.066 176.600 0.234 0.000 0.895 525 E CA -0.515 55.929 56.400 0.074 0.000 0.753 525 E CB 3.141 32.953 29.700 0.187 0.000 1.216 525 E HN -0.077 nan 8.360 nan 0.000 0.434 526 V N 3.144 123.232 119.914 0.289 0.000 2.394 526 V HA 0.320 4.439 4.120 -0.001 0.000 0.282 526 V C -0.294 176.036 176.094 0.393 0.000 1.031 526 V CA -0.435 62.087 62.300 0.371 0.000 0.881 526 V CB 1.142 33.156 31.823 0.318 0.000 0.982 526 V HN 0.598 nan 8.190 nan 0.000 0.451 527 H N 3.941 123.192 119.070 0.303 0.000 2.947 527 H HA 0.487 5.042 4.556 -0.001 0.000 0.354 527 H C -0.519 174.985 175.328 0.294 0.000 1.085 527 H CA 0.664 56.880 56.048 0.280 0.000 1.253 527 H CB 2.028 31.960 29.762 0.283 0.000 1.757 527 H HN 0.829 nan 8.280 nan 0.000 0.523 528 S N 2.983 118.615 115.700 -0.114 0.000 3.461 528 S HA -0.125 4.344 4.470 -0.001 0.000 0.820 528 S C -1.496 173.272 174.600 0.279 0.000 1.142 528 S CA 0.204 58.435 58.200 0.051 0.000 1.078 528 S CB -0.591 62.700 63.200 0.152 0.000 0.674 528 S HN 0.640 nan 8.310 nan 0.000 0.333 529 F N 1.850 121.867 119.950 0.112 0.000 2.605 529 F HA 0.654 5.180 4.527 -0.001 0.000 0.320 529 F C -0.526 175.353 175.800 0.132 0.000 1.159 529 F CA 0.423 58.490 58.000 0.113 0.000 0.999 529 F CB 1.524 40.531 39.000 0.012 0.000 1.258 529 F HN 0.966 nan 8.300 nan 0.000 0.464 530 A N 4.041 126.814 122.820 -0.078 0.000 2.410 530 A HA 0.569 4.888 4.320 -0.001 0.000 0.289 530 A C -0.652 176.901 177.584 -0.051 0.000 1.200 530 A CA -0.592 51.482 52.037 0.062 0.000 0.751 530 A CB 0.633 19.712 19.000 0.132 0.000 1.161 530 A HN 0.644 nan 8.150 nan 0.000 0.459 531 T N 3.571 118.217 114.554 0.154 0.000 2.867 531 T HA 0.155 4.504 4.350 -0.001 0.000 0.297 531 T C 1.299 176.060 174.700 0.103 0.000 0.989 531 T CA 0.065 62.286 62.100 0.201 0.000 1.159 531 T CB 0.248 69.300 68.868 0.307 0.000 0.928 531 T HN 0.444 nan 8.240 nan 0.000 0.538 532 I N 2.016 122.600 120.570 0.024 0.000 2.685 532 I HA 0.178 4.347 4.170 -0.001 0.000 0.251 532 I C 1.033 177.152 176.117 0.004 0.000 1.102 532 I CA 0.900 62.067 61.300 -0.221 0.000 1.442 532 I CB -0.539 37.275 38.000 -0.311 0.000 1.194 532 I HN 0.744 nan 8.210 nan 0.000 0.448 533 D N -2.126 118.327 120.400 0.089 0.000 3.309 533 D HA 0.029 4.668 4.640 -0.001 0.000 0.335 533 D C 0.315 176.692 176.300 0.129 0.000 1.393 533 D CA -0.525 53.546 54.000 0.119 0.000 0.963 533 D CB 0.080 40.937 40.800 0.095 0.000 1.431 533 D HN -0.229 nan 8.370 nan 0.000 0.583 534 N N -1.290 117.463 118.700 0.090 0.000 2.550 534 N HA 0.049 4.788 4.740 -0.001 0.000 0.186 534 N C 0.252 175.778 175.510 0.027 0.000 1.110 534 N CA 1.104 54.183 53.050 0.048 0.000 0.912 534 N CB -0.204 38.283 38.487 -0.001 0.000 0.968 534 N HN 0.413 nan 8.380 nan 0.000 0.448 535 N N -2.023 116.731 118.700 0.089 0.000 2.397 535 N HA 0.265 5.004 4.740 -0.001 0.000 0.190 535 N C 0.374 176.000 175.510 0.194 0.000 1.099 535 N CA 0.196 53.321 53.050 0.124 0.000 0.876 535 N CB 1.082 39.607 38.487 0.064 0.000 1.143 535 N HN 0.087 nan 8.380 nan 0.000 0.468 536 G N -0.009 108.866 108.800 0.125 0.000 2.619 536 G HA2 0.566 4.525 3.960 -0.001 0.000 0.305 536 G HA3 0.566 4.525 3.960 -0.001 0.000 0.305 536 G C -1.964 172.969 174.900 0.056 0.000 1.330 536 G CA -0.720 44.348 45.100 -0.053 0.000 0.789 536 G HN 0.121 nan 8.290 nan 0.000 0.487 537 F N -2.452 117.492 119.950 -0.010 0.000 2.773 537 F HA 0.896 5.423 4.527 -0.001 0.000 0.314 537 F C -0.384 175.421 175.800 0.010 0.000 1.160 537 F CA -1.401 56.495 58.000 -0.174 0.000 0.920 537 F CB 1.186 39.808 39.000 -0.631 0.000 1.323 537 F HN 1.043 nan 8.300 nan 0.000 0.457 538 A N 1.826 124.733 122.820 0.145 0.000 2.356 538 A HA 0.911 5.230 4.320 -0.001 0.000 0.323 538 A C -1.170 176.542 177.584 0.214 0.000 1.119 538 A CA -0.916 51.277 52.037 0.260 0.000 0.790 538 A CB 1.481 20.582 19.000 0.169 0.000 1.273 538 A HN 0.807 nan 8.150 nan 0.000 0.452 539 M N 1.619 121.457 119.600 0.397 0.000 2.395 539 M HA 0.463 4.942 4.480 -0.001 0.000 0.307 539 M C 0.518 177.061 176.300 0.405 0.000 1.091 539 M CA -0.437 55.094 55.300 0.385 0.000 0.919 539 M CB 2.276 35.167 32.600 0.485 0.000 1.662 539 M HN 0.866 nan 8.290 nan 0.000 0.440 540 G N 1.744 110.764 108.800 0.368 0.000 2.539 540 G HA2 0.499 4.459 3.960 -0.001 0.000 0.258 540 G HA3 0.499 4.459 3.960 -0.001 0.000 0.258 540 G C -1.424 173.725 174.900 0.415 0.000 1.202 540 G CA -0.053 45.258 45.100 0.352 0.000 0.851 540 G HN 0.809 nan 8.290 nan 0.000 0.556 541 Y N -0.132 120.239 120.300 0.119 0.000 2.638 541 Y HA 0.737 5.286 4.550 -0.002 0.000 0.335 541 Y C -0.808 175.173 175.900 0.136 0.000 1.155 541 Y CA -1.414 56.757 58.100 0.118 0.000 1.046 541 Y CB 1.554 40.008 38.460 -0.009 0.000 1.303 541 Y HN 0.898 nan 8.280 nan 0.000 0.460 542 H N 1.193 120.235 119.070 -0.047 0.000 3.008 542 H HA 0.467 5.022 4.556 -0.002 0.000 0.354 542 H C -1.983 173.405 175.328 0.101 0.000 1.252 542 H CA -0.944 54.998 56.048 -0.176 0.000 1.117 542 H CB 2.380 32.069 29.762 -0.122 0.000 1.857 542 H HN 0.774 nan 8.280 nan 0.000 0.547 543 Q N 1.061 120.866 119.800 0.009 0.000 2.309 543 Q HA 0.401 4.740 4.340 -0.001 0.000 0.270 543 Q C -0.631 175.432 176.000 0.105 0.000 1.023 543 Q CA -0.354 55.457 55.803 0.014 0.000 0.758 543 Q CB 1.581 30.395 28.738 0.126 0.000 1.247 543 Q HN 1.056 nan 8.270 nan 0.000 0.455 544 G N 3.218 112.072 108.800 0.091 0.000 4.165 544 G HA2 0.091 4.050 3.960 -0.001 0.000 0.287 544 G HA3 0.091 4.050 3.960 -0.001 0.000 0.287 544 G C 0.175 175.123 174.900 0.080 0.000 1.019 544 G CA -0.154 45.037 45.100 0.152 0.000 0.806 544 G HN 0.537 nan 8.290 nan 0.000 0.447 545 D N 0.258 120.684 120.400 0.043 0.000 2.259 545 D HA 0.068 4.707 4.640 -0.001 0.000 0.216 545 D C 1.472 177.788 176.300 0.026 0.000 0.961 545 D CA 1.031 55.047 54.000 0.025 0.000 0.878 545 D CB 0.913 41.717 40.800 0.006 0.000 1.009 545 D HN 0.358 nan 8.370 nan 0.000 0.490 546 V N -2.111 117.822 119.914 0.030 0.000 3.126 546 V HA 0.839 4.958 4.120 -0.001 0.000 0.314 546 V C -0.549 175.565 176.094 0.033 0.000 1.138 546 V CA -1.349 60.968 62.300 0.028 0.000 1.034 546 V CB 1.617 33.455 31.823 0.024 0.000 1.075 546 V HN 0.021 nan 8.190 nan 0.000 0.442 547 A N 2.341 125.177 122.820 0.027 0.000 2.327 547 A HA 0.868 5.187 4.320 -0.001 0.000 0.283 547 A C -1.685 175.916 177.584 0.029 0.000 1.127 547 A CA -1.136 50.917 52.037 0.026 0.000 0.810 547 A CB -0.368 18.643 19.000 0.019 0.000 1.066 547 A HN 0.961 nan 8.150 nan 0.000 0.492 548 P HA 0.404 nan 4.420 nan 0.000 0.281 548 P C -0.498 176.827 177.300 0.041 0.000 1.264 548 P CA -0.787 62.331 63.100 0.030 0.000 0.824 548 P CB 0.680 32.396 31.700 0.026 0.000 1.092 549 R N 0.770 121.292 120.500 0.036 0.000 2.543 549 R HA 0.175 4.514 4.340 -0.001 0.000 0.277 549 R C -0.072 176.251 176.300 0.039 0.000 1.074 549 R CA 0.083 56.211 56.100 0.047 0.000 1.076 549 R CB 0.331 30.654 30.300 0.038 0.000 0.993 549 R HN 0.466 nan 8.270 nan 0.000 0.459 550 E N 2.348 122.577 120.200 0.047 0.000 2.222 550 E HA 0.377 4.726 4.350 -0.001 0.000 0.267 550 E C -1.395 175.124 176.600 -0.134 0.000 0.884 550 E CA -0.907 55.496 56.400 0.005 0.000 0.764 550 E CB 2.432 32.206 29.700 0.122 0.000 1.169 550 E HN 0.234 nan 8.360 nan 0.000 0.413 551 V N 1.750 121.516 119.914 -0.247 0.000 2.686 551 V HA 0.817 4.937 4.120 -0.001 0.000 0.306 551 V C 0.279 176.069 176.094 -0.506 0.000 1.065 551 V CA -0.362 61.698 62.300 -0.401 0.000 0.894 551 V CB 1.656 33.344 31.823 -0.225 0.000 1.004 551 V HN 0.917 nan 8.190 nan 0.000 0.424 552 G N 3.416 111.780 108.800 -0.726 0.000 2.485 552 G HA2 0.622 4.581 3.960 -0.001 0.000 0.182 552 G HA3 0.622 4.581 3.960 -0.001 0.000 0.182 552 G C -1.821 173.010 174.900 -0.115 0.000 1.172 552 G CA 0.068 44.972 45.100 -0.328 0.000 0.996 552 G HN 1.261 nan 8.290 nan 0.000 0.496 553 L N -2.945 118.384 121.223 0.176 0.000 2.469 553 L HA 0.925 5.264 4.340 -0.001 0.000 0.256 553 L C -1.622 175.273 176.870 0.043 0.000 1.006 553 L CA -1.063 53.904 54.840 0.212 0.000 0.832 553 L CB 1.847 44.066 42.059 0.266 0.000 1.421 553 L HN 0.352 nan 8.230 nan 0.000 0.410 554 F N 1.668 121.821 119.950 0.339 0.000 2.388 554 F HA 0.466 4.992 4.527 -0.002 0.000 0.358 554 F C -0.555 175.384 175.800 0.232 0.000 1.122 554 F CA -0.432 57.672 58.000 0.175 0.000 1.056 554 F CB 1.288 40.290 39.000 0.003 0.000 1.155 554 F HN 0.449 nan 8.300 nan 0.000 0.461 555 Y N 4.486 124.875 120.300 0.148 0.000 2.350 555 Y HA 0.441 4.990 4.550 -0.002 0.000 0.340 555 Y C -1.300 174.510 175.900 -0.149 0.000 1.006 555 Y CA -2.027 56.089 58.100 0.027 0.000 1.166 555 Y CB 0.319 38.769 38.460 -0.017 0.000 1.168 555 Y HN 0.438 nan 8.280 nan 0.000 0.502 556 F N 9.452 129.133 119.950 -0.449 0.000 2.309 556 F HA 0.332 4.858 4.527 -0.001 0.000 0.366 556 F C -1.640 173.599 175.800 -0.935 0.000 1.104 556 F CA -1.951 55.630 58.000 -0.698 0.000 1.179 556 F CB 0.947 39.374 39.000 -0.955 0.000 1.437 556 F HN 0.484 nan 8.300 nan 0.000 0.528 557 P HA -0.140 nan 4.420 nan 0.000 0.218 557 P C 0.110 177.228 177.300 -0.303 0.000 1.149 557 P CA 1.354 63.947 63.100 -0.845 0.000 0.817 557 P CB 0.322 31.624 31.700 -0.664 0.000 0.785 558 D N -1.543 118.737 120.400 -0.201 0.000 2.468 558 D HA 0.329 4.968 4.640 -0.001 0.000 0.272 558 D C 0.747 177.075 176.300 0.046 0.000 1.221 558 D CA -0.610 53.378 54.000 -0.019 0.000 0.860 558 D CB 0.150 40.957 40.800 0.010 0.000 1.190 558 D HN -0.155 nan 8.370 nan 0.000 0.509 559 A N 1.882 124.708 122.820 0.011 0.000 2.121 559 A HA -0.037 4.282 4.320 -0.001 0.000 0.218 559 A C 1.500 179.194 177.584 0.182 0.000 1.154 559 A CA 0.796 52.831 52.037 -0.002 0.000 0.679 559 A CB -0.507 18.260 19.000 -0.387 0.000 0.795 559 A HN 0.497 nan 8.150 nan 0.000 0.458 560 F N -0.214 119.886 119.950 0.250 0.000 2.118 560 F HA -0.035 4.491 4.527 -0.002 0.000 0.293 560 F C 2.207 178.134 175.800 0.211 0.000 1.102 560 F CA 1.765 59.990 58.000 0.375 0.000 1.247 560 F CB -0.273 38.934 39.000 0.345 0.000 1.017 560 F HN 0.220 nan 8.300 nan 0.000 0.475 561 N N -1.386 117.495 118.700 0.301 0.000 2.395 561 N HA -0.005 4.734 4.740 -0.001 0.000 0.175 561 N C -0.126 175.430 175.510 0.076 0.000 1.029 561 N CA 0.757 53.895 53.050 0.146 0.000 0.897 561 N CB 0.209 38.765 38.487 0.115 0.000 0.991 561 N HN -0.078 nan 8.380 nan 0.000 0.441 562 S N 0.653 116.404 115.700 0.085 0.000 2.235 562 S HA 0.203 4.673 4.470 -0.001 0.000 0.152 562 S C -2.176 172.479 174.600 0.091 0.000 1.649 562 S CA -0.879 57.349 58.200 0.048 0.000 1.277 562 S CB 1.206 64.407 63.200 0.003 0.000 1.299 562 S HN 0.160 nan 8.310 nan 0.000 0.388 563 P HA -0.004 nan 4.420 nan 0.000 0.225 563 P C 0.959 178.446 177.300 0.312 0.000 1.148 563 P CA 0.831 64.067 63.100 0.228 0.000 0.779 563 P CB 0.135 31.952 31.700 0.195 0.000 0.780 564 S N -0.730 115.079 115.700 0.181 0.000 2.496 564 S HA -0.017 4.452 4.470 -0.001 0.000 0.224 564 S C 1.046 175.674 174.600 0.045 0.000 0.996 564 S CA 0.018 58.315 58.200 0.160 0.000 0.927 564 S CB -0.777 62.461 63.200 0.064 0.000 0.774 564 S HN 0.189 nan 8.310 nan 0.000 0.524 565 N N 1.807 120.487 118.700 -0.033 0.000 2.415 565 N HA 0.227 4.966 4.740 -0.001 0.000 0.246 565 N C -0.940 174.333 175.510 -0.396 0.000 1.078 565 N CA -0.434 52.473 53.050 -0.238 0.000 0.942 565 N CB -0.013 38.361 38.487 -0.188 0.000 1.140 565 N HN 0.306 nan 8.380 nan 0.000 0.501 566 Y N 0.627 120.570 120.300 -0.593 0.000 2.536 566 Y HA 0.766 5.315 4.550 -0.001 0.000 0.347 566 Y C -1.030 174.622 175.900 -0.413 0.000 1.000 566 Y CA -1.410 56.157 58.100 -0.888 0.000 1.051 566 Y CB 0.945 38.497 38.460 -1.512 0.000 1.259 566 Y HN -0.005 nan 8.280 nan 0.000 0.468 567 V N 3.463 123.323 119.914 -0.090 0.000 2.376 567 V HA 0.435 4.554 4.120 -0.001 0.000 0.287 567 V C -0.216 176.034 176.094 0.260 0.000 1.015 567 V CA -0.917 61.407 62.300 0.040 0.000 0.834 567 V CB 1.157 33.002 31.823 0.037 0.000 1.001 567 V HN 0.860 nan 8.190 nan 0.000 0.428 568 R N 4.888 125.565 120.500 0.295 0.000 2.316 568 R HA 0.500 4.839 4.340 -0.001 0.000 0.314 568 R C -0.485 175.935 176.300 0.201 0.000 1.069 568 R CA -0.286 55.997 56.100 0.304 0.000 0.959 568 R CB 0.484 30.985 30.300 0.335 0.000 0.987 568 R HN 0.674 nan 8.270 nan 0.000 0.446 569 R N 3.699 124.323 120.500 0.207 0.000 2.483 569 R HA 0.175 4.514 4.340 -0.001 0.000 0.303 569 R C -0.825 175.643 176.300 0.280 0.000 0.987 569 R CA -0.648 55.589 56.100 0.228 0.000 0.881 569 R CB 2.393 32.815 30.300 0.203 0.000 1.177 569 R HN 0.612 nan 8.270 nan 0.000 0.451 570 Q N 2.622 122.572 119.800 0.249 0.000 2.227 570 Q HA 0.389 4.728 4.340 -0.001 0.000 0.245 570 Q C 0.526 176.626 176.000 0.167 0.000 0.926 570 Q CA -0.690 55.203 55.803 0.151 0.000 0.895 570 Q CB 1.724 30.526 28.738 0.107 0.000 1.230 570 Q HN 0.549 nan 8.270 nan 0.000 0.450 571 I N -1.605 118.848 120.570 -0.195 0.000 3.138 571 I HA 0.342 4.511 4.170 -0.001 0.000 0.288 571 I C -2.252 173.718 176.117 -0.244 0.000 1.148 571 I CA -2.366 58.541 61.300 -0.654 0.000 1.315 571 I CB -0.000 37.362 38.000 -1.063 0.000 1.426 571 I HN 0.311 nan 8.210 nan 0.000 0.615 572 P HA -0.004 nan 4.420 nan 0.000 0.267 572 P C 0.566 177.920 177.300 0.090 0.000 1.200 572 P CA 0.114 63.274 63.100 0.100 0.000 0.772 572 P CB 0.738 32.600 31.700 0.271 0.000 0.855 573 S N 2.478 118.218 115.700 0.067 0.000 2.370 573 S HA -0.268 4.201 4.470 -0.001 0.000 0.226 573 S C 1.567 176.158 174.600 -0.015 0.000 1.033 573 S CA 1.596 59.811 58.200 0.025 0.000 1.011 573 S CB -1.095 62.119 63.200 0.022 0.000 0.852 573 S HN 0.698 nan 8.310 nan 0.000 0.457 574 E N 0.068 120.230 120.200 -0.064 0.000 2.409 574 E HA -0.148 4.201 4.350 -0.001 0.000 0.198 574 E C 1.006 177.408 176.600 -0.330 0.000 1.024 574 E CA 0.832 57.098 56.400 -0.223 0.000 0.861 574 E CB -0.453 29.049 29.700 -0.330 0.000 0.788 574 E HN 0.781 nan 8.360 nan 0.000 0.521 575 Y N 0.798 121.089 120.300 -0.016 0.000 2.458 575 Y HA 0.251 4.800 4.550 -0.001 0.000 0.256 575 Y C 1.506 177.375 175.900 -0.051 0.000 1.159 575 Y CA -0.011 58.085 58.100 -0.007 0.000 1.261 575 Y CB 0.549 39.054 38.460 0.075 0.000 1.119 575 Y HN 0.062 nan 8.280 nan 0.000 0.524 576 E N 0.405 120.628 120.200 0.038 0.000 2.170 576 E HA -0.010 4.339 4.350 -0.001 0.000 0.191 576 E C -1.773 174.822 176.600 -0.008 0.000 0.981 576 E CA -0.231 56.164 56.400 -0.008 0.000 0.830 576 E CB -0.893 28.794 29.700 -0.022 0.000 0.775 576 E HN 0.241 nan 8.360 nan 0.000 0.470 577 P HA -0.030 nan 4.420 nan 0.000 0.268 577 P C -0.842 176.448 177.300 -0.016 0.000 1.205 577 P CA 0.613 63.703 63.100 -0.017 0.000 0.771 577 P CB 0.347 32.028 31.700 -0.032 0.000 0.858 578 D N -0.954 119.436 120.400 -0.016 0.000 2.837 578 D HA -0.176 4.463 4.640 -0.001 0.000 0.230 578 D C -0.129 176.153 176.300 -0.030 0.000 1.152 578 D CA 1.353 55.339 54.000 -0.023 0.000 0.736 578 D CB -1.427 39.352 40.800 -0.035 0.000 1.084 578 D HN 0.511 nan 8.370 nan 0.000 0.429 579 A N -0.235 122.562 122.820 -0.039 0.000 2.498 579 A HA 0.830 5.149 4.320 -0.001 0.000 0.298 579 A C 0.079 177.567 177.584 -0.161 0.000 1.075 579 A CA 0.305 52.302 52.037 -0.067 0.000 0.714 579 A CB 2.375 21.360 19.000 -0.025 0.000 1.299 579 A HN 0.494 nan 8.150 nan 0.000 0.407 580 S N 0.068 115.614 115.700 -0.257 0.000 2.672 580 S HA 0.608 5.077 4.470 -0.001 0.000 0.271 580 S C -0.770 173.589 174.600 -0.401 0.000 1.171 580 S CA -0.172 57.665 58.200 -0.606 0.000 0.817 580 S CB 0.434 63.068 63.200 -0.944 0.000 1.150 580 S HN 1.095 nan 8.310 nan 0.000 0.478 581 E N 1.066 121.008 120.200 -0.428 0.000 2.202 581 E HA -0.124 4.225 4.350 -0.001 0.000 0.169 581 E C -2.388 174.082 176.600 -0.217 0.000 1.536 581 E CA 0.614 56.773 56.400 -0.400 0.000 0.664 581 E CB -1.369 27.953 29.700 -0.629 0.000 1.064 581 E HN 0.536 nan 8.360 nan 0.000 0.327 582 P HA 0.044 nan 4.420 nan 0.000 0.276 582 P C -0.070 177.514 177.300 0.472 0.000 1.230 582 P CA -0.310 62.918 63.100 0.214 0.000 0.776 582 P CB 0.886 32.668 31.700 0.137 0.000 0.888 583 C N 4.942 124.542 119.300 0.499 0.000 2.369 583 C HA 0.600 5.060 4.460 -0.001 0.000 0.358 583 C C 0.900 176.259 174.990 0.613 0.000 1.274 583 C CA -0.190 59.170 59.018 0.569 0.000 1.935 583 C CB -1.041 27.080 27.740 0.635 0.000 2.431 583 C HN 0.484 nan 8.230 nan 0.000 0.545 584 I N 1.446 122.299 120.570 0.471 0.000 2.545 584 I HA 0.771 4.940 4.170 -0.001 0.000 0.292 584 I C -0.791 175.532 176.117 0.344 0.000 1.040 584 I CA -0.504 61.089 61.300 0.488 0.000 1.068 584 I CB 1.569 39.805 38.000 0.393 0.000 1.251 584 I HN 0.295 nan 8.210 nan 0.000 0.424 585 K N 3.951 124.628 120.400 0.462 0.000 2.512 585 K HA 0.446 4.765 4.320 -0.001 0.000 0.263 585 K C -2.056 174.833 176.600 0.481 0.000 0.966 585 K CA -0.824 55.642 56.287 0.298 0.000 0.851 585 K CB 2.831 35.364 32.500 0.054 0.000 1.395 585 K HN 0.741 nan 8.250 nan 0.000 0.440 586 Y N 1.362 121.680 120.300 0.030 0.000 2.326 586 Y HA 0.456 5.005 4.550 -0.002 0.000 0.329 586 Y C -1.694 174.128 175.900 -0.129 0.000 0.973 586 Y CA -0.678 57.457 58.100 0.058 0.000 1.162 586 Y CB 0.981 39.448 38.460 0.012 0.000 1.147 586 Y HN 0.490 nan 8.280 nan 0.000 0.456 587 Y N 4.287 124.547 120.300 -0.066 0.000 2.346 587 Y HA 0.260 4.809 4.550 -0.002 0.000 0.332 587 Y C -0.261 175.519 175.900 -0.199 0.000 0.985 587 Y CA -1.465 56.618 58.100 -0.028 0.000 1.112 587 Y CB 1.480 40.064 38.460 0.207 0.000 1.170 587 Y HN 0.646 nan 8.280 nan 0.000 0.447 588 D N 3.116 123.476 120.400 -0.067 0.000 2.697 588 D HA -0.194 4.445 4.640 -0.001 0.000 0.235 588 D C 1.259 177.453 176.300 -0.176 0.000 1.167 588 D CA 1.950 55.911 54.000 -0.065 0.000 0.656 588 D CB -0.858 39.969 40.800 0.045 0.000 1.025 588 D HN 1.153 nan 8.370 nan 0.000 0.419 589 G N -2.053 106.495 108.800 -0.421 0.000 2.184 589 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.264 589 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.264 589 G C 0.333 175.056 174.900 -0.294 0.000 0.975 589 G CA 0.343 45.268 45.100 -0.290 0.000 0.642 589 G HN 0.636 nan 8.290 nan 0.000 0.536 590 V N 0.986 120.645 119.914 -0.425 0.000 2.448 590 V HA 0.685 4.805 4.120 -0.001 0.000 0.295 590 V C 0.144 176.074 176.094 -0.273 0.000 1.025 590 V CA -0.927 61.166 62.300 -0.345 0.000 0.859 590 V CB 1.732 33.299 31.823 -0.427 0.000 0.988 590 V HN 0.381 nan 8.190 nan 0.000 0.431 591 L N 6.345 127.529 121.223 -0.065 0.000 2.265 591 L HA 0.550 4.889 4.340 -0.001 0.000 0.288 591 L C -1.018 175.924 176.870 0.120 0.000 1.058 591 L CA 0.210 55.173 54.840 0.205 0.000 0.809 591 L CB 0.436 42.623 42.059 0.214 0.000 1.179 591 L HN 0.538 nan 8.230 nan 0.000 0.429 592 Y N 5.414 126.032 120.300 0.529 0.000 2.360 592 Y HA 0.651 5.200 4.550 -0.001 0.000 0.337 592 Y C -0.357 175.909 175.900 0.610 0.000 1.039 592 Y CA -0.574 57.858 58.100 0.554 0.000 1.109 592 Y CB 1.768 40.569 38.460 0.567 0.000 1.201 592 Y HN 0.519 nan 8.280 nan 0.000 0.458 593 L N 4.902 126.481 121.223 0.594 0.000 2.436 593 L HA 0.707 5.047 4.340 -0.001 0.000 0.268 593 L C -1.721 175.333 176.870 0.307 0.000 0.974 593 L CA -0.474 54.630 54.840 0.440 0.000 0.826 593 L CB 1.374 43.571 42.059 0.230 0.000 1.291 593 L HN 0.625 nan 8.230 nan 0.000 0.406 594 I N 3.590 124.348 120.570 0.314 0.000 2.466 594 I HA 0.373 4.542 4.170 -0.001 0.000 0.289 594 I C 0.122 176.378 176.117 0.232 0.000 1.026 594 I CA -0.543 60.904 61.300 0.245 0.000 1.078 594 I CB 2.300 40.412 38.000 0.186 0.000 1.249 594 I HN 0.599 nan 8.210 nan 0.000 0.429 595 T N 2.528 117.188 114.554 0.178 0.000 2.902 595 T HA 0.445 4.794 4.350 -0.001 0.000 0.280 595 T C -0.111 174.621 174.700 0.052 0.000 0.992 595 T CA -0.794 61.362 62.100 0.093 0.000 1.015 595 T CB 1.858 70.763 68.868 0.062 0.000 1.044 595 T HN 0.653 nan 8.240 nan 0.000 0.520 596 R N 0.498 120.989 120.500 -0.016 0.000 2.297 596 R HA 0.542 4.881 4.340 -0.001 0.000 0.308 596 R C 0.420 176.685 176.300 -0.058 0.000 1.029 596 R CA -0.584 55.486 56.100 -0.050 0.000 0.929 596 R CB 0.479 30.736 30.300 -0.072 0.000 1.046 596 R HN 0.931 nan 8.270 nan 0.000 0.461 597 G N 1.218 109.981 108.800 -0.061 0.000 2.390 597 G HA2 0.098 4.057 3.960 -0.001 0.000 0.270 597 G HA3 0.098 4.057 3.960 -0.001 0.000 0.270 597 G C 0.971 175.866 174.900 -0.008 0.000 1.211 597 G CA -0.266 44.808 45.100 -0.043 0.000 0.842 597 G HN 0.827 nan 8.290 nan 0.000 0.519 598 T N -0.871 113.676 114.554 -0.010 0.000 2.978 598 T HA 0.092 4.441 4.350 -0.001 0.000 0.262 598 T C 0.946 175.679 174.700 0.054 0.000 1.063 598 T CA 0.427 62.553 62.100 0.043 0.000 1.140 598 T CB -0.080 68.797 68.868 0.014 0.000 0.886 598 T HN 0.748 nan 8.240 nan 0.000 0.470 599 R N -0.683 119.763 120.500 -0.090 0.000 2.668 599 R HA 0.633 4.972 4.340 -0.001 0.000 0.272 599 R C 0.890 176.870 176.300 -0.533 0.000 1.019 599 R CA -0.696 55.254 56.100 -0.250 0.000 0.894 599 R CB 0.984 31.207 30.300 -0.127 0.000 1.228 599 R HN -0.014 nan 8.270 nan 0.000 0.460 600 G N 0.485 108.695 108.800 -0.983 0.000 2.650 600 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.214 600 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.214 600 G C 0.475 175.082 174.900 -0.487 0.000 1.136 600 G CA 0.674 45.053 45.100 -1.201 0.000 0.789 600 G HN 0.813 nan 8.290 nan 0.000 0.536 601 D N -0.647 119.562 120.400 -0.318 0.000 2.340 601 D HA 0.107 4.746 4.640 -0.001 0.000 0.217 601 D C 0.852 177.069 176.300 -0.138 0.000 1.081 601 D CA -0.207 53.685 54.000 -0.181 0.000 0.842 601 D CB 0.355 41.078 40.800 -0.130 0.000 0.934 601 D HN 0.182 nan 8.370 nan 0.000 0.511 602 R N -0.268 120.139 120.500 -0.155 0.000 2.771 602 R HA 0.369 4.708 4.340 -0.001 0.000 0.274 602 R C -0.903 175.335 176.300 -0.102 0.000 0.987 602 R CA -1.259 54.776 56.100 -0.109 0.000 0.908 602 R CB 1.485 31.730 30.300 -0.091 0.000 1.213 602 R HN -0.092 nan 8.270 nan 0.000 0.468 603 L N 1.892 123.071 121.223 -0.074 0.000 2.615 603 L HA 0.022 4.361 4.340 -0.001 0.000 0.284 603 L C 1.088 177.938 176.870 -0.035 0.000 1.237 603 L CA 1.122 55.931 54.840 -0.052 0.000 0.905 603 L CB 0.057 42.087 42.059 -0.048 0.000 1.149 603 L HN 0.895 nan 8.230 nan 0.000 0.499 604 G N 1.926 110.715 108.800 -0.018 0.000 3.134 604 G HA2 0.303 4.263 3.960 -0.001 0.000 0.158 604 G HA3 0.303 4.263 3.960 -0.001 0.000 0.158 604 G C -0.349 174.584 174.900 0.054 0.000 1.334 604 G CA -0.438 44.654 45.100 -0.015 0.000 1.001 604 G HN 0.538 nan 8.290 nan 0.000 0.600 605 S N 0.258 115.983 115.700 0.043 0.000 2.593 605 S HA 0.345 4.815 4.470 -0.001 0.000 0.300 605 S C 0.484 175.296 174.600 0.353 0.000 1.267 605 S CA 0.395 58.681 58.200 0.144 0.000 1.065 605 S CB 0.207 63.409 63.200 0.004 0.000 0.807 605 S HN 0.961 nan 8.310 nan 0.000 0.499 606 S N 2.688 118.533 115.700 0.242 0.000 2.599 606 S HA 0.780 5.249 4.470 -0.001 0.000 0.294 606 S C -1.001 173.484 174.600 -0.193 0.000 1.094 606 S CA -1.047 57.131 58.200 -0.037 0.000 0.931 606 S CB 1.480 64.632 63.200 -0.079 0.000 1.093 606 S HN 0.494 nan 8.310 nan 0.000 0.488 607 L N 1.773 122.592 121.223 -0.673 0.000 2.346 607 L HA 0.688 5.027 4.340 -0.001 0.000 0.274 607 L C -1.203 175.217 176.870 -0.750 0.000 1.007 607 L CA -0.102 54.423 54.840 -0.524 0.000 0.818 607 L CB 1.372 43.067 42.059 -0.607 0.000 1.284 607 L HN 0.909 nan 8.230 nan 0.000 0.424 608 H N 4.041 123.155 119.070 0.073 0.000 2.865 608 H HA 0.562 5.117 4.556 -0.002 0.000 0.362 608 H C -1.043 174.578 175.328 0.489 0.000 1.114 608 H CA -0.776 55.390 56.048 0.196 0.000 1.208 608 H CB 2.079 31.659 29.762 -0.304 0.000 1.727 608 H HN 0.699 nan 8.280 nan 0.000 0.534 609 R N 0.503 121.340 120.500 0.561 0.000 2.750 609 R HA 0.734 5.073 4.340 -0.001 0.000 0.281 609 R C -1.224 175.140 176.300 0.106 0.000 0.972 609 R CA -0.933 55.281 56.100 0.190 0.000 0.912 609 R CB 2.337 32.472 30.300 -0.275 0.000 1.187 609 R HN 0.437 nan 8.270 nan 0.000 0.464 610 S N 0.509 116.126 115.700 -0.138 0.000 2.548 610 S HA 0.383 4.852 4.470 -0.001 0.000 0.276 610 S C -0.206 174.229 174.600 -0.276 0.000 1.129 610 S CA -0.892 57.108 58.200 -0.332 0.000 0.931 610 S CB 1.674 64.395 63.200 -0.798 0.000 1.068 610 S HN 0.794 nan 8.310 nan 0.000 0.480 611 R N 1.494 121.850 120.500 -0.240 0.000 2.393 611 R HA 0.172 4.511 4.340 -0.001 0.000 0.244 611 R C -0.555 175.662 176.300 -0.138 0.000 0.920 611 R CA 0.357 56.358 56.100 -0.165 0.000 1.076 611 R CB 0.083 30.297 30.300 -0.143 0.000 1.119 611 R HN 0.671 nan 8.270 nan 0.000 0.524 612 D N -0.593 119.682 120.400 -0.207 0.000 2.819 612 D HA 0.097 4.736 4.640 -0.001 0.000 0.326 612 D C 0.105 176.243 176.300 -0.270 0.000 1.408 612 D CA -0.584 53.300 54.000 -0.194 0.000 0.811 612 D CB -0.473 40.221 40.800 -0.176 0.000 1.148 612 D HN 0.055 nan 8.370 nan 0.000 0.457 613 I N 0.512 120.912 120.570 -0.284 0.000 6.697 613 I HA -0.260 3.909 4.170 -0.001 0.000 0.126 613 I C 1.309 177.182 176.117 -0.407 0.000 1.764 613 I CA 0.767 61.843 61.300 -0.374 0.000 2.245 613 I CB -1.533 36.100 38.000 -0.612 0.000 3.404 613 I HN 0.545 nan 8.210 nan 0.000 0.228 614 G N 0.237 108.643 108.800 -0.656 0.000 2.175 614 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.244 614 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.244 614 G C 0.539 175.038 174.900 -0.669 0.000 0.982 614 G CA 0.464 45.005 45.100 -0.932 0.000 0.641 614 G HN 0.574 nan 8.290 nan 0.000 0.527 615 Q N -0.105 119.409 119.800 -0.477 0.000 2.083 615 Q HA 0.129 4.468 4.340 -0.001 0.000 0.198 615 Q C 1.504 177.328 176.000 -0.294 0.000 0.969 615 Q CA 1.594 57.237 55.803 -0.267 0.000 0.838 615 Q CB 0.090 28.727 28.738 -0.170 0.000 0.900 615 Q HN 0.802 nan 8.270 nan 0.000 0.436 616 T N -3.095 111.193 114.554 -0.442 0.000 2.906 616 T HA 0.562 4.912 4.350 -0.001 0.000 0.295 616 T C -1.448 172.971 174.700 -0.469 0.000 1.075 616 T CA -0.894 61.023 62.100 -0.305 0.000 1.005 616 T CB 1.324 70.108 68.868 -0.140 0.000 1.136 616 T HN 0.192 nan 8.240 nan 0.000 0.498 617 W N 0.028 121.333 121.300 0.008 0.000 2.950 617 W HA 0.654 5.313 4.660 -0.002 0.000 0.340 617 W C -0.215 176.319 176.519 0.025 0.000 1.139 617 W CA -0.764 56.595 57.345 0.024 0.000 1.188 617 W CB 1.894 31.395 29.460 0.068 0.000 1.426 617 W HN 0.904 nan 8.180 nan 0.000 0.531 618 E N 1.293 121.668 120.200 0.292 0.000 2.199 618 E HA 0.665 5.015 4.350 -0.001 0.000 0.269 618 E C -0.985 175.842 176.600 0.380 0.000 0.899 618 E CA -0.348 56.168 56.400 0.194 0.000 0.772 618 E CB 1.453 31.078 29.700 -0.126 0.000 1.155 618 E HN 0.339 nan 8.360 nan 0.000 0.408 619 S N 2.735 118.635 115.700 0.334 0.000 2.570 619 S HA 0.664 5.133 4.470 -0.001 0.000 0.286 619 S C -1.374 173.160 174.600 -0.111 0.000 1.099 619 S CA -0.804 57.387 58.200 -0.015 0.000 0.913 619 S CB 1.166 64.170 63.200 -0.327 0.000 1.085 619 S HN 0.490 nan 8.310 nan 0.000 0.480 620 L N -0.412 120.477 121.223 -0.557 0.000 2.465 620 L HA 0.883 5.222 4.340 -0.001 0.000 0.257 620 L C -0.958 175.550 176.870 -0.604 0.000 0.988 620 L CA -0.992 53.516 54.840 -0.555 0.000 0.827 620 L CB 1.548 43.102 42.059 -0.841 0.000 1.397 620 L HN 0.525 nan 8.230 nan 0.000 0.410 621 R N 1.219 121.520 120.500 -0.331 0.000 2.346 621 R HA 0.684 5.023 4.340 -0.001 0.000 0.311 621 R C -1.339 174.784 176.300 -0.295 0.000 0.983 621 R CA -0.362 55.620 56.100 -0.196 0.000 0.880 621 R CB 0.661 30.980 30.300 0.032 0.000 1.100 621 R HN 0.573 nan 8.270 nan 0.000 0.453 622 F N 6.208 126.092 119.950 -0.110 0.000 2.529 622 F HA 0.245 4.771 4.527 -0.001 0.000 0.365 622 F C -1.264 174.496 175.800 -0.066 0.000 1.102 622 F CA -1.326 56.636 58.000 -0.063 0.000 1.271 622 F CB 0.338 39.364 39.000 0.044 0.000 1.120 622 F HN 0.476 nan 8.300 nan 0.000 0.579 623 P HA 0.011 nan 4.420 nan 0.000 0.272 623 P C -0.583 176.691 177.300 -0.042 0.000 1.223 623 P CA 0.141 63.159 63.100 -0.138 0.000 0.784 623 P CB 0.430 31.959 31.700 -0.284 0.000 0.923 624 H N -0.215 118.871 119.070 0.027 0.000 2.931 624 H HA -0.128 4.427 4.556 -0.002 0.000 0.290 624 H C -0.106 175.176 175.328 -0.077 0.000 1.264 624 H CA 0.556 56.595 56.048 -0.016 0.000 1.140 624 H CB -2.592 27.177 29.762 0.012 0.000 1.343 624 H HN 0.569 nan 8.280 nan 0.000 0.403 625 N N -1.870 116.827 118.700 -0.004 0.000 2.688 625 N HA -0.154 4.586 4.740 -0.001 0.000 0.258 625 N C -0.040 175.407 175.510 -0.105 0.000 1.016 625 N CA 0.963 53.972 53.050 -0.069 0.000 0.747 625 N CB -1.281 37.132 38.487 -0.122 0.000 0.895 625 N HN 0.304 nan 8.380 nan 0.000 0.543 626 V N 2.339 122.131 119.914 -0.203 0.000 2.540 626 V HA 0.065 4.184 4.120 -0.001 0.000 0.297 626 V C 0.989 176.860 176.094 -0.372 0.000 1.024 626 V CA 0.285 62.266 62.300 -0.531 0.000 1.105 626 V CB 0.322 31.748 31.823 -0.662 0.000 0.938 626 V HN 0.580 nan 8.190 nan 0.000 0.482 627 H N 2.781 121.470 119.070 -0.634 0.000 3.008 627 H HA 0.448 5.003 4.556 -0.001 0.000 0.354 627 H C 0.323 175.443 175.328 -0.347 0.000 1.252 627 H CA -0.484 55.292 56.048 -0.453 0.000 1.117 627 H CB 1.033 30.484 29.762 -0.519 0.000 1.857 627 H HN 0.752 nan 8.280 nan 0.000 0.547 628 H N -1.559 117.417 119.070 -0.157 0.000 3.898 628 H HA -0.173 4.382 4.556 -0.001 0.000 0.171 628 H C -0.206 175.063 175.328 -0.097 0.000 0.920 628 H CA 1.388 57.364 56.048 -0.121 0.000 1.238 628 H CB -0.724 28.953 29.762 -0.142 0.000 0.997 628 H HN 0.803 nan 8.280 nan 0.000 0.380 629 T N 1.110 115.637 114.554 -0.046 0.000 2.863 629 T HA 0.421 4.770 4.350 -0.001 0.000 0.285 629 T C 0.326 175.043 174.700 0.029 0.000 1.009 629 T CA 0.008 62.121 62.100 0.022 0.000 0.989 629 T CB 1.398 70.283 68.868 0.028 0.000 1.004 629 T HN 0.329 nan 8.240 nan 0.000 0.455 630 T N 2.555 117.190 114.554 0.136 0.000 2.868 630 T HA 0.540 4.889 4.350 -0.001 0.000 0.292 630 T C 0.242 175.073 174.700 0.218 0.000 1.028 630 T CA -0.753 61.456 62.100 0.182 0.000 1.059 630 T CB 0.377 69.427 68.868 0.304 0.000 0.991 630 T HN 0.495 nan 8.240 nan 0.000 0.531 631 L N 2.329 123.704 121.223 0.254 0.000 2.581 631 L HA 0.339 4.678 4.340 -0.001 0.000 0.241 631 L C -2.269 174.878 176.870 0.463 0.000 1.265 631 L CA -2.138 52.871 54.840 0.281 0.000 0.954 631 L CB 0.992 43.144 42.059 0.155 0.000 1.269 631 L HN 0.492 nan 8.230 nan 0.000 0.475 632 P HA 0.197 nan 4.420 nan 0.000 0.272 632 P C -0.857 176.790 177.300 0.578 0.000 1.223 632 P CA 0.202 63.609 63.100 0.511 0.000 0.784 632 P CB 0.815 32.777 31.700 0.437 0.000 0.923 633 F N -1.209 118.947 119.950 0.344 0.000 2.713 633 F HA 0.823 5.349 4.527 -0.001 0.000 0.311 633 F C -1.810 174.189 175.800 0.332 0.000 1.141 633 F CA -1.377 56.813 58.000 0.318 0.000 0.939 633 F CB 0.878 40.020 39.000 0.237 0.000 1.325 633 F HN 0.494 nan 8.300 nan 0.000 0.453 634 A N 1.565 124.597 122.820 0.353 0.000 2.479 634 A HA 0.743 5.062 4.320 -0.001 0.000 0.296 634 A C -1.664 175.989 177.584 0.114 0.000 1.121 634 A CA -1.106 51.084 52.037 0.256 0.000 0.743 634 A CB 1.992 21.157 19.000 0.274 0.000 1.323 634 A HN 0.916 nan 8.150 nan 0.000 0.415 635 K N 1.044 121.218 120.400 -0.377 0.000 2.240 635 K HA 0.606 4.925 4.320 -0.001 0.000 0.271 635 K C -1.693 174.692 176.600 -0.358 0.000 1.018 635 K CA -0.282 55.670 56.287 -0.559 0.000 0.874 635 K CB 1.141 32.988 32.500 -1.088 0.000 1.098 635 K HN 0.402 nan 8.250 nan 0.000 0.458 636 V N 4.857 124.677 119.914 -0.156 0.000 2.409 636 V HA 0.432 4.551 4.120 -0.001 0.000 0.290 636 V C 0.769 176.824 176.094 -0.066 0.000 1.017 636 V CA 0.097 62.355 62.300 -0.071 0.000 0.841 636 V CB 0.532 32.349 31.823 -0.009 0.000 1.003 636 V HN 1.180 nan 8.190 nan 0.000 0.426 637 G N 4.961 113.729 108.800 -0.052 0.000 2.583 637 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.292 637 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.292 637 G C 0.394 175.266 174.900 -0.047 0.000 1.203 637 G CA 0.631 45.709 45.100 -0.036 0.000 0.987 637 G HN 0.625 nan 8.290 nan 0.000 0.554 638 D N 1.994 122.373 120.400 -0.036 0.000 2.340 638 D HA 0.210 4.849 4.640 -0.001 0.000 0.220 638 D C 0.061 176.333 176.300 -0.046 0.000 1.039 638 D CA 0.635 54.618 54.000 -0.029 0.000 0.866 638 D CB 0.101 40.892 40.800 -0.014 0.000 0.913 638 D HN 0.315 nan 8.370 nan 0.000 0.523 639 D N 0.369 120.727 120.400 -0.069 0.000 2.217 639 D HA 0.279 4.918 4.640 -0.001 0.000 0.243 639 D C 0.275 176.511 176.300 -0.107 0.000 1.054 639 D CA -0.453 53.498 54.000 -0.081 0.000 0.838 639 D CB 1.987 42.747 40.800 -0.066 0.000 1.162 639 D HN -0.068 nan 8.370 nan 0.000 0.472 640 L N 2.636 123.786 121.223 -0.122 0.000 2.360 640 L HA 0.352 4.691 4.340 -0.001 0.000 0.276 640 L C 0.204 177.057 176.870 -0.028 0.000 1.121 640 L CA -0.261 54.526 54.840 -0.088 0.000 0.845 640 L CB 0.440 42.396 42.059 -0.172 0.000 1.143 640 L HN 0.207 nan 8.230 nan 0.000 0.452 641 I N 4.631 125.249 120.570 0.081 0.000 2.354 641 I HA 0.352 4.521 4.170 -0.001 0.000 0.286 641 I C -0.216 176.004 176.117 0.172 0.000 1.007 641 I CA -0.151 61.199 61.300 0.083 0.000 1.167 641 I CB 1.217 39.298 38.000 0.137 0.000 1.320 641 I HN 0.564 nan 8.210 nan 0.000 0.458 642 M N 5.888 125.499 119.600 0.019 0.000 2.436 642 M HA 0.567 5.046 4.480 -0.001 0.000 0.331 642 M C -1.079 175.180 176.300 -0.070 0.000 1.135 642 M CA -0.354 55.031 55.300 0.142 0.000 0.987 642 M CB 2.095 34.765 32.600 0.118 0.000 1.687 642 M HN 0.248 nan 8.290 nan 0.000 0.445 643 F N 0.087 120.051 119.950 0.025 0.000 2.532 643 F HA 0.856 5.383 4.527 -0.001 0.000 0.321 643 F C 0.480 176.141 175.800 -0.232 0.000 1.089 643 F CA -0.577 57.233 58.000 -0.317 0.000 0.926 643 F CB 2.444 40.715 39.000 -1.215 0.000 1.168 643 F HN 0.621 nan 8.300 nan 0.000 0.459 644 G N 0.323 109.144 108.800 0.035 0.000 2.690 644 G HA2 0.597 4.556 3.960 -0.001 0.000 0.293 644 G HA3 0.597 4.556 3.960 -0.001 0.000 0.293 644 G C -1.882 173.173 174.900 0.258 0.000 1.399 644 G CA -0.848 44.379 45.100 0.211 0.000 0.890 644 G HN 0.533 nan 8.290 nan 0.000 0.485 645 S N 0.231 116.157 115.700 0.376 0.000 2.614 645 S HA 0.405 4.874 4.470 -0.001 0.000 0.288 645 S C -0.228 174.596 174.600 0.373 0.000 1.137 645 S CA -0.882 57.510 58.200 0.320 0.000 0.992 645 S CB 1.647 65.020 63.200 0.288 0.000 1.026 645 S HN 0.900 nan 8.310 nan 0.000 0.486 646 E N 2.783 123.234 120.200 0.418 0.000 2.398 646 E HA 0.200 4.550 4.350 -0.001 0.000 0.263 646 E C 0.335 177.026 176.600 0.153 0.000 1.046 646 E CA -0.631 55.948 56.400 0.299 0.000 0.908 646 E CB 0.602 30.506 29.700 0.340 0.000 0.963 646 E HN 0.323 nan 8.360 nan 0.000 0.431 647 R N 1.276 121.819 120.500 0.073 0.000 2.161 647 R HA 0.174 4.513 4.340 -0.001 0.000 0.213 647 R C 0.289 176.507 176.300 -0.135 0.000 1.055 647 R CA 0.941 57.036 56.100 -0.008 0.000 0.996 647 R CB -0.320 29.945 30.300 -0.058 0.000 0.901 647 R HN 0.626 nan 8.270 nan 0.000 0.456 648 A N 0.550 123.277 122.820 -0.155 0.000 2.556 648 A HA 0.364 4.683 4.320 -0.001 0.000 0.294 648 A C -1.027 176.543 177.584 -0.023 0.000 1.091 648 A CA -0.712 51.182 52.037 -0.238 0.000 0.704 648 A CB 1.450 20.098 19.000 -0.587 0.000 1.300 648 A HN 0.107 nan 8.150 nan 0.000 0.406 649 E N 0.985 121.210 120.200 0.043 0.000 2.452 649 E HA 0.123 4.472 4.350 -0.001 0.000 0.261 649 E C -0.284 176.382 176.600 0.110 0.000 0.987 649 E CA 0.508 56.973 56.400 0.108 0.000 0.926 649 E CB 0.062 29.849 29.700 0.146 0.000 0.934 649 E HN 0.555 nan 8.360 nan 0.000 0.452 650 N N 3.177 121.966 118.700 0.148 0.000 2.776 650 N HA -0.182 4.557 4.740 -0.001 0.000 0.249 650 N C -0.468 175.126 175.510 0.141 0.000 1.111 650 N CA 1.310 54.451 53.050 0.151 0.000 0.711 650 N CB -1.058 37.503 38.487 0.123 0.000 1.065 650 N HN 0.656 nan 8.380 nan 0.000 0.556 651 E N -1.611 118.681 120.200 0.153 0.000 2.473 651 E HA 0.056 4.405 4.350 -0.001 0.000 0.204 651 E C 1.358 178.009 176.600 0.084 0.000 0.994 651 E CA -0.432 56.048 56.400 0.133 0.000 0.945 651 E CB 0.244 30.013 29.700 0.115 0.000 0.990 651 E HN 0.435 nan 8.360 nan 0.000 0.493 652 W N 2.681 123.934 121.300 -0.079 0.000 2.335 652 W HA -0.129 4.530 4.660 -0.002 0.000 0.311 652 W C 0.096 176.521 176.519 -0.157 0.000 1.213 652 W CA 1.252 58.462 57.345 -0.225 0.000 1.274 652 W CB 0.145 29.482 29.460 -0.205 0.000 1.148 652 W HN -0.056 nan 8.180 nan 0.000 0.498 653 E N 0.357 120.639 120.200 0.137 0.000 2.418 653 E HA 0.223 4.572 4.350 -0.001 0.000 0.261 653 E C 0.246 176.868 176.600 0.035 0.000 1.070 653 E CA 0.179 56.612 56.400 0.054 0.000 0.931 653 E CB 0.471 30.195 29.700 0.040 0.000 0.954 653 E HN 0.096 nan 8.360 nan 0.000 0.439 654 A N 1.873 124.684 122.820 -0.016 0.000 2.546 654 A HA 0.396 4.715 4.320 -0.001 0.000 0.243 654 A C 1.417 178.961 177.584 -0.067 0.000 1.063 654 A CA 0.541 52.548 52.037 -0.050 0.000 0.757 654 A CB -0.716 18.298 19.000 0.023 0.000 0.991 654 A HN 0.902 nan 8.150 nan 0.000 0.503 655 G N 0.907 109.627 108.800 -0.134 0.000 2.184 655 G HA2 0.088 4.048 3.960 -0.001 0.000 0.264 655 G HA3 0.088 4.048 3.960 -0.001 0.000 0.264 655 G C 0.618 175.477 174.900 -0.069 0.000 0.975 655 G CA 0.553 45.591 45.100 -0.103 0.000 0.642 655 G HN 2.274 nan 8.290 nan 0.000 0.536 656 A N 1.247 124.043 122.820 -0.039 0.000 2.444 656 A HA 0.642 4.961 4.320 -0.001 0.000 0.273 656 A C -1.265 176.336 177.584 0.028 0.000 1.136 656 A CA -0.536 51.514 52.037 0.021 0.000 0.799 656 A CB 0.238 19.285 19.000 0.078 0.000 1.081 656 A HN 0.241 nan 8.150 nan 0.000 0.509 657 P HA 0.216 nan 4.420 nan 0.000 0.274 657 P C -0.638 176.713 177.300 0.085 0.000 1.237 657 P CA -0.445 62.682 63.100 0.044 0.000 0.793 657 P CB 0.485 32.207 31.700 0.037 0.000 0.977 658 D N 0.868 121.333 120.400 0.109 0.000 2.472 658 D HA 0.026 4.665 4.640 -0.001 0.000 0.237 658 D C -0.038 176.300 176.300 0.063 0.000 1.141 658 D CA 1.043 55.105 54.000 0.104 0.000 0.875 658 D CB -0.007 40.852 40.800 0.098 0.000 1.192 658 D HN 0.252 nan 8.370 nan 0.000 0.450 659 D N 2.087 122.501 120.400 0.023 0.000 2.404 659 D HA 0.158 4.797 4.640 -0.001 0.000 0.267 659 D C -0.506 175.789 176.300 -0.009 0.000 1.194 659 D CA -0.587 53.434 54.000 0.036 0.000 0.910 659 D CB 0.247 41.078 40.800 0.052 0.000 1.090 659 D HN 0.094 nan 8.370 nan 0.000 0.511 660 R N 1.494 122.023 120.500 0.049 0.000 2.943 660 R HA 0.355 4.694 4.340 -0.001 0.000 0.246 660 R C 0.094 176.558 176.300 0.272 0.000 1.201 660 R CA -0.750 55.392 56.100 0.070 0.000 1.056 660 R CB 0.136 30.363 30.300 -0.122 0.000 1.243 660 R HN 0.356 nan 8.270 nan 0.000 0.498 661 Y N -1.386 119.109 120.300 0.324 0.000 4.798 661 Y HA -0.332 4.217 4.550 -0.002 0.000 0.237 661 Y C 0.058 176.037 175.900 0.131 0.000 1.017 661 Y CA 1.511 59.718 58.100 0.179 0.000 2.010 661 Y CB -1.775 36.753 38.460 0.112 0.000 1.582 661 Y HN 0.588 nan 8.280 nan 0.000 0.621 662 K N -0.647 119.925 120.400 0.287 0.000 2.502 662 K HA 0.902 5.221 4.320 -0.001 0.000 0.257 662 K C -0.411 176.272 176.600 0.138 0.000 0.938 662 K CA -0.587 55.804 56.287 0.173 0.000 0.819 662 K CB 2.185 34.779 32.500 0.156 0.000 1.333 662 K HN 0.123 nan 8.250 nan 0.000 0.434 663 A N 1.654 124.491 122.820 0.029 0.000 2.540 663 A HA 0.424 4.743 4.320 -0.001 0.000 0.239 663 A C 0.005 177.624 177.584 0.058 0.000 1.061 663 A CA 0.533 52.559 52.037 -0.018 0.000 0.758 663 A CB -0.370 18.624 19.000 -0.010 0.000 0.991 663 A HN 0.967 nan 8.150 nan 0.000 0.502 664 S N 0.835 116.552 115.700 0.029 0.000 2.688 664 S HA 0.660 5.129 4.470 -0.001 0.000 0.275 664 S C -1.261 173.236 174.600 -0.172 0.000 1.175 664 S CA -0.627 57.596 58.200 0.038 0.000 0.818 664 S CB 0.679 63.982 63.200 0.172 0.000 1.157 664 S HN 0.564 nan 8.310 nan 0.000 0.482 665 Y N 1.787 122.141 120.300 0.090 0.000 2.863 665 Y HA 0.446 4.995 4.550 -0.002 0.000 0.348 665 Y C -2.503 173.416 175.900 0.032 0.000 1.028 665 Y CA -2.034 56.091 58.100 0.041 0.000 1.213 665 Y CB 1.143 39.616 38.460 0.023 0.000 1.120 665 Y HN 0.422 nan 8.280 nan 0.000 0.598 666 P HA 0.052 nan 4.420 nan 0.000 0.268 666 P C -0.412 176.910 177.300 0.036 0.000 1.204 666 P CA 0.006 63.159 63.100 0.089 0.000 0.768 666 P CB 0.933 32.677 31.700 0.074 0.000 0.842 667 R N 1.346 121.829 120.500 -0.029 0.000 2.357 667 R HA 0.427 4.766 4.340 -0.001 0.000 0.296 667 R C 0.344 176.371 176.300 -0.455 0.000 1.052 667 R CA -0.173 55.741 56.100 -0.310 0.000 0.988 667 R CB 0.440 30.438 30.300 -0.504 0.000 1.025 667 R HN 0.392 nan 8.270 nan 0.000 0.469 668 T N 3.661 117.907 114.554 -0.514 0.000 2.794 668 T HA 0.503 4.852 4.350 -0.001 0.000 0.280 668 T C -0.804 173.497 174.700 -0.664 0.000 0.987 668 T CA -0.316 61.547 62.100 -0.396 0.000 0.993 668 T CB 0.466 69.240 68.868 -0.156 0.000 0.939 668 T HN 0.241 nan 8.240 nan 0.000 0.449 669 F N 2.099 121.856 119.950 -0.321 0.000 2.579 669 F HA 0.664 5.191 4.527 -0.001 0.000 0.324 669 F C -0.245 175.486 175.800 -0.115 0.000 1.058 669 F CA -1.270 56.555 58.000 -0.292 0.000 0.944 669 F CB 1.480 40.137 39.000 -0.571 0.000 1.245 669 F HN 0.625 nan 8.300 nan 0.000 0.477 670 Y N 0.349 120.592 120.300 -0.095 0.000 2.605 670 Y HA 0.947 5.496 4.550 -0.001 0.000 0.343 670 Y C -1.391 174.359 175.900 -0.250 0.000 1.036 670 Y CA -1.490 56.371 58.100 -0.397 0.000 1.065 670 Y CB 1.731 39.576 38.460 -1.026 0.000 1.288 670 Y HN 0.819 nan 8.280 nan 0.000 0.481 671 A N 2.750 125.141 122.820 -0.714 0.000 2.594 671 A HA 0.769 5.088 4.320 -0.001 0.000 0.295 671 A C -1.539 175.677 177.584 -0.613 0.000 1.071 671 A CA -1.249 50.225 52.037 -0.938 0.000 0.685 671 A CB 1.722 19.892 19.000 -1.383 0.000 1.285 671 A HN 0.860 nan 8.150 nan 0.000 0.405 672 R N 0.121 120.303 120.500 -0.530 0.000 2.460 672 R HA 0.678 5.017 4.340 -0.001 0.000 0.303 672 R C -1.345 174.777 176.300 -0.297 0.000 0.968 672 R CA -0.508 55.410 56.100 -0.303 0.000 0.889 672 R CB 1.863 32.036 30.300 -0.212 0.000 1.123 672 R HN 0.611 nan 8.270 nan 0.000 0.455 673 L N 2.713 123.808 121.223 -0.213 0.000 2.404 673 L HA 0.338 4.677 4.340 -0.001 0.000 0.272 673 L C -0.844 175.953 176.870 -0.121 0.000 0.980 673 L CA -0.649 54.076 54.840 -0.191 0.000 0.836 673 L CB 1.591 43.529 42.059 -0.203 0.000 1.238 673 L HN 0.569 nan 8.230 nan 0.000 0.408 674 N N 3.465 122.108 118.700 -0.096 0.000 2.452 674 N HA 0.018 4.757 4.740 -0.001 0.000 0.266 674 N C 1.059 176.594 175.510 0.042 0.000 1.175 674 N CA 0.165 53.192 53.050 -0.037 0.000 0.945 674 N CB 1.763 40.226 38.487 -0.039 0.000 1.063 674 N HN 0.646 nan 8.380 nan 0.000 0.472 675 V N 1.813 121.781 119.914 0.090 0.000 2.809 675 V HA -0.091 4.029 4.120 -0.001 0.000 0.256 675 V C 1.483 177.709 176.094 0.220 0.000 1.080 675 V CA 1.365 63.812 62.300 0.245 0.000 1.102 675 V CB -0.651 31.313 31.823 0.236 0.000 0.705 675 V HN 0.575 nan 8.190 nan 0.000 0.475 676 N N 1.493 120.262 118.700 0.114 0.000 2.171 676 N HA -0.106 4.633 4.740 -0.001 0.000 0.184 676 N C 1.582 177.153 175.510 0.102 0.000 1.021 676 N CA 1.467 54.565 53.050 0.079 0.000 0.854 676 N CB -0.267 38.243 38.487 0.038 0.000 0.994 676 N HN 0.490 nan 8.380 nan 0.000 0.426 677 N N 0.313 119.069 118.700 0.094 0.000 2.331 677 N HA -0.149 4.590 4.740 -0.001 0.000 0.180 677 N C -0.060 175.539 175.510 0.149 0.000 1.019 677 N CA 0.281 53.378 53.050 0.077 0.000 0.881 677 N CB -0.290 38.204 38.487 0.012 0.000 0.972 677 N HN 0.362 nan 8.380 nan 0.000 0.435 678 W N 2.006 123.267 121.300 -0.065 0.000 6.840 678 W HA -0.301 4.358 4.660 -0.002 0.000 0.413 678 W C -0.798 175.657 176.519 -0.106 0.000 1.605 678 W CA 0.357 57.654 57.345 -0.080 0.000 1.122 678 W CB -1.409 28.020 29.460 -0.052 0.000 2.811 678 W HN 0.101 nan 8.180 nan 0.000 1.578 679 N N 1.039 119.592 118.700 -0.246 0.000 2.478 679 N HA 0.527 5.266 4.740 -0.001 0.000 0.291 679 N C 0.031 175.351 175.510 -0.318 0.000 1.090 679 N CA 0.288 53.169 53.050 -0.281 0.000 0.911 679 N CB 1.484 39.890 38.487 -0.135 0.000 1.546 679 N HN 0.054 nan 8.380 nan 0.000 0.500 680 A N 2.456 125.039 122.820 -0.396 0.000 2.308 680 A HA 0.150 4.469 4.320 -0.001 0.000 0.217 680 A C 0.991 178.459 177.584 -0.195 0.000 1.216 680 A CA 0.099 51.930 52.037 -0.343 0.000 0.864 680 A CB -0.084 18.591 19.000 -0.543 0.000 0.902 680 A HN 0.714 nan 8.150 nan 0.000 0.499 681 D N 1.620 121.918 120.400 -0.170 0.000 2.133 681 D HA -0.177 4.462 4.640 -0.001 0.000 0.195 681 D C 0.794 177.056 176.300 -0.063 0.000 0.997 681 D CA 1.868 55.803 54.000 -0.109 0.000 0.840 681 D CB -0.169 40.575 40.800 -0.093 0.000 0.947 681 D HN 0.739 nan 8.370 nan 0.000 0.452 682 D N -0.511 119.842 120.400 -0.078 0.000 2.388 682 D HA 0.050 4.689 4.640 -0.001 0.000 0.221 682 D C 0.716 176.956 176.300 -0.099 0.000 1.133 682 D CA -0.503 53.465 54.000 -0.053 0.000 0.831 682 D CB -0.647 40.121 40.800 -0.053 0.000 0.962 682 D HN 0.201 nan 8.370 nan 0.000 0.502 683 I N 0.972 121.458 120.570 -0.140 0.000 2.845 683 I HA -0.068 4.101 4.170 -0.001 0.000 0.296 683 I C -0.270 175.658 176.117 -0.315 0.000 1.216 683 I CA 0.508 61.638 61.300 -0.284 0.000 1.438 683 I CB 0.471 38.277 38.000 -0.324 0.000 1.342 683 I HN 0.016 nan 8.210 nan 0.000 0.577 684 E N 7.104 127.005 120.200 -0.498 0.000 2.101 684 E HA 0.169 4.518 4.350 -0.001 0.000 0.260 684 E C -1.686 174.578 176.600 -0.560 0.000 0.897 684 E CA -0.431 55.666 56.400 -0.505 0.000 0.744 684 E CB 0.708 29.881 29.700 -0.879 0.000 1.140 684 E HN 0.491 nan 8.360 nan 0.000 0.419 685 W N 2.847 124.039 121.300 -0.179 0.000 2.388 685 W HA 0.239 4.898 4.660 -0.002 0.000 0.308 685 W C -0.274 176.162 176.519 -0.140 0.000 1.263 685 W CA -0.585 56.585 57.345 -0.292 0.000 1.286 685 W CB 0.763 29.891 29.460 -0.554 0.000 1.294 685 W HN 0.195 nan 8.180 nan 0.000 0.493 686 V N 4.586 124.520 119.914 0.033 0.000 2.328 686 V HA 0.085 4.204 4.120 -0.001 0.000 0.278 686 V C 0.067 176.202 176.094 0.070 0.000 1.021 686 V CA -1.134 61.181 62.300 0.025 0.000 0.838 686 V CB 0.966 32.715 31.823 -0.124 0.000 0.999 686 V HN 0.417 nan 8.190 nan 0.000 0.447 687 N N 4.635 123.251 118.700 -0.139 0.000 2.416 687 N HA 0.192 4.931 4.740 -0.001 0.000 0.265 687 N C 0.651 176.038 175.510 -0.204 0.000 1.195 687 N CA -0.049 52.689 53.050 -0.519 0.000 0.943 687 N CB 0.610 38.669 38.487 -0.713 0.000 1.115 687 N HN 0.735 nan 8.380 nan 0.000 0.481 688 I N -0.372 120.076 120.570 -0.203 0.000 4.187 688 I HA 0.351 4.520 4.170 -0.001 0.000 0.326 688 I C 0.502 176.562 176.117 -0.096 0.000 1.302 688 I CA -0.202 61.030 61.300 -0.113 0.000 1.196 688 I CB 0.463 38.316 38.000 -0.244 0.000 1.095 688 I HN 0.344 nan 8.210 nan 0.000 0.411 689 T N 0.281 114.755 114.554 -0.132 0.000 2.885 689 T HA 0.372 4.721 4.350 -0.001 0.000 0.322 689 T C -2.067 172.600 174.700 -0.054 0.000 1.387 689 T CA -0.505 61.585 62.100 -0.016 0.000 1.041 689 T CB 2.034 70.969 68.868 0.111 0.000 1.287 689 T HN 0.074 nan 8.240 nan 0.000 0.491 690 D N 2.445 122.842 120.400 -0.005 0.000 2.362 690 D HA 0.660 5.299 4.640 -0.001 0.000 0.247 690 D C -0.279 176.037 176.300 0.026 0.000 1.050 690 D CA -0.274 53.733 54.000 0.010 0.000 0.839 690 D CB 2.035 42.861 40.800 0.043 0.000 1.283 690 D HN 0.337 nan 8.370 nan 0.000 0.477 691 Q N 0.352 120.162 119.800 0.017 0.000 2.293 691 Q HA 0.655 4.994 4.340 -0.001 0.000 0.216 691 Q C -0.455 175.498 176.000 -0.080 0.000 1.003 691 Q CA -0.609 55.140 55.803 -0.091 0.000 0.995 691 Q CB 1.484 30.166 28.738 -0.094 0.000 1.172 691 Q HN 0.410 nan 8.270 nan 0.000 0.518 692 I N 0.869 121.306 120.570 -0.221 0.000 2.433 692 I HA 0.278 4.447 4.170 -0.001 0.000 0.292 692 I C -1.251 174.737 176.117 -0.215 0.000 1.001 692 I CA -0.998 60.088 61.300 -0.357 0.000 1.119 692 I CB 1.257 38.895 38.000 -0.603 0.000 1.289 692 I HN 0.494 nan 8.210 nan 0.000 0.438 693 Y N 6.065 126.196 120.300 -0.281 0.000 2.328 693 Y HA 0.211 4.760 4.550 -0.001 0.000 0.337 693 Y C 1.011 176.792 175.900 -0.198 0.000 1.008 693 Y CA -0.124 57.859 58.100 -0.194 0.000 1.129 693 Y CB 1.217 39.610 38.460 -0.111 0.000 1.185 693 Y HN 0.588 nan 8.280 nan 0.000 0.476 694 Q N 4.439 123.802 119.800 -0.728 0.000 2.049 694 Q HA 0.046 4.386 4.340 -0.001 0.000 0.198 694 Q C 1.355 176.961 176.000 -0.657 0.000 0.971 694 Q CA 1.986 57.444 55.803 -0.574 0.000 0.833 694 Q CB -0.271 28.215 28.738 -0.421 0.000 0.896 694 Q HN 1.256 nan 8.270 nan 0.000 0.434 695 G N -1.477 106.671 108.800 -1.088 0.000 2.176 695 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.232 695 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.232 695 G C 0.844 175.639 174.900 -0.175 0.000 0.986 695 G CA 0.644 45.340 45.100 -0.672 0.000 0.643 695 G HN 0.585 nan 8.290 nan 0.000 0.522 696 G N 0.231 108.932 108.800 -0.166 0.000 2.484 696 G HA2 0.383 4.342 3.960 -0.001 0.000 0.218 696 G HA3 0.383 4.342 3.960 -0.001 0.000 0.218 696 G C 0.892 175.920 174.900 0.213 0.000 1.130 696 G CA 1.283 46.400 45.100 0.029 0.000 0.784 696 G HN 1.521 nan 8.290 nan 0.000 0.543 697 I N -4.415 116.210 120.570 0.092 0.000 3.042 697 I HA 0.550 4.719 4.170 -0.001 0.000 0.310 697 I C 1.046 177.114 176.117 -0.082 0.000 1.117 697 I CA -1.123 60.277 61.300 0.166 0.000 1.003 697 I CB 1.939 40.031 38.000 0.153 0.000 1.228 697 I HN -0.215 nan 8.210 nan 0.000 0.443 698 V N 2.655 122.425 119.914 -0.240 0.000 2.515 698 V HA -0.117 4.002 4.120 -0.001 0.000 0.250 698 V C 1.019 177.101 176.094 -0.021 0.000 1.058 698 V CA 1.579 63.658 62.300 -0.368 0.000 1.064 698 V CB -0.931 30.716 31.823 -0.293 0.000 0.675 698 V HN 0.891 nan 8.190 nan 0.000 0.461 699 N N 0.378 119.130 118.700 0.087 0.000 2.479 699 N HA 0.236 4.975 4.740 -0.001 0.000 0.257 699 N C -0.488 175.180 175.510 0.264 0.000 1.232 699 N CA 0.490 53.636 53.050 0.160 0.000 0.920 699 N CB 0.879 39.490 38.487 0.208 0.000 1.105 699 N HN 0.264 nan 8.380 nan 0.000 0.444 700 S N -0.580 115.251 115.700 0.218 0.000 2.532 700 S HA 0.569 5.038 4.470 -0.001 0.000 0.299 700 S C 0.688 175.379 174.600 0.152 0.000 1.105 700 S CA -0.844 57.491 58.200 0.225 0.000 1.018 700 S CB 1.094 64.352 63.200 0.097 0.000 1.021 700 S HN 0.658 nan 8.310 nan 0.000 0.483 701 G N 2.521 111.353 108.800 0.053 0.000 3.042 701 G HA2 0.208 4.167 3.960 -0.001 0.000 0.212 701 G HA3 0.208 4.167 3.960 -0.001 0.000 0.212 701 G C 0.179 175.007 174.900 -0.120 0.000 1.166 701 G CA 0.007 45.039 45.100 -0.114 0.000 0.767 701 G HN 0.645 nan 8.290 nan 0.000 0.546 702 V N 1.073 120.979 119.914 -0.013 0.000 2.585 702 V HA 0.477 4.596 4.120 -0.001 0.000 0.296 702 V C 1.435 177.603 176.094 0.123 0.000 1.035 702 V CA 1.007 63.332 62.300 0.042 0.000 1.084 702 V CB 0.099 31.965 31.823 0.073 0.000 0.953 702 V HN 0.775 nan 8.190 nan 0.000 0.483 703 G N 3.889 112.839 108.800 0.250 0.000 2.527 703 G HA2 -0.089 3.870 3.960 -0.001 0.000 0.262 703 G HA3 -0.089 3.870 3.960 -0.001 0.000 0.262 703 G C 0.474 175.545 174.900 0.285 0.000 1.153 703 G CA 0.275 45.595 45.100 0.367 0.000 0.954 703 G HN 2.216 nan 8.290 nan 0.000 0.552 704 V N -2.174 117.919 119.914 0.299 0.000 5.404 704 V HA 0.077 4.196 4.120 -0.001 0.000 0.249 704 V C 1.267 177.578 176.094 0.361 0.000 0.682 704 V CA 2.023 64.520 62.300 0.329 0.000 0.608 704 V CB -2.041 29.979 31.823 0.329 0.000 0.311 704 V HN 2.510 nan 8.190 nan 0.000 0.680 705 G N -0.484 108.567 108.800 0.418 0.000 2.695 705 G HA2 0.713 4.672 3.960 -0.001 0.000 0.213 705 G HA3 0.713 4.672 3.960 -0.001 0.000 0.213 705 G C -0.174 174.966 174.900 0.399 0.000 1.406 705 G CA -0.151 45.161 45.100 0.352 0.000 1.049 705 G HN 1.590 nan 8.290 nan 0.000 0.573 706 S N -2.679 113.240 115.700 0.365 0.000 2.550 706 S HA 0.581 5.050 4.470 -0.001 0.000 0.270 706 S C -1.638 173.169 174.600 0.345 0.000 1.145 706 S CA -0.486 57.910 58.200 0.328 0.000 0.852 706 S CB 1.810 65.153 63.200 0.238 0.000 1.119 706 S HN 0.657 nan 8.310 nan 0.000 0.465 707 V N 3.189 123.284 119.914 0.303 0.000 2.709 707 V HA 0.813 4.932 4.120 -0.001 0.000 0.308 707 V C -0.432 175.814 176.094 0.252 0.000 1.062 707 V CA -0.497 61.975 62.300 0.286 0.000 0.901 707 V CB 1.635 33.650 31.823 0.320 0.000 1.003 707 V HN 0.960 nan 8.190 nan 0.000 0.425 708 V N 2.519 122.598 119.914 0.276 0.000 3.078 708 V HA 0.858 4.977 4.120 -0.001 0.000 0.311 708 V C -0.988 175.319 176.094 0.356 0.000 1.138 708 V CA -0.822 61.642 62.300 0.275 0.000 1.007 708 V CB 2.187 34.130 31.823 0.201 0.000 1.045 708 V HN 0.480 nan 8.190 nan 0.000 0.432 709 V N 2.287 122.393 119.914 0.320 0.000 2.459 709 V HA 0.608 4.727 4.120 -0.001 0.000 0.295 709 V C -0.169 176.109 176.094 0.306 0.000 1.029 709 V CA -0.490 62.011 62.300 0.335 0.000 0.874 709 V CB 1.603 33.582 31.823 0.261 0.000 0.985 709 V HN 1.035 nan 8.190 nan 0.000 0.438 710 K N 4.132 124.766 120.400 0.390 0.000 2.463 710 K HA 0.428 4.747 4.320 -0.001 0.000 0.255 710 K C -0.492 176.280 176.600 0.288 0.000 0.942 710 K CA -0.411 56.038 56.287 0.271 0.000 0.814 710 K CB 1.169 33.763 32.500 0.157 0.000 1.122 710 K HN 0.824 nan 8.250 nan 0.000 0.425 711 D N 1.931 122.443 120.400 0.185 0.000 3.685 711 D HA -0.279 4.360 4.640 -0.001 0.000 0.152 711 D C -0.068 176.303 176.300 0.119 0.000 0.966 711 D CA 1.057 55.146 54.000 0.149 0.000 1.085 711 D CB -0.404 40.495 40.800 0.166 0.000 0.521 711 D HN 0.672 nan 8.370 nan 0.000 0.543 712 N N 0.624 119.357 118.700 0.056 0.000 2.376 712 N HA 0.178 4.917 4.740 -0.001 0.000 0.249 712 N C -0.985 174.314 175.510 -0.351 0.000 1.140 712 N CA 0.180 53.156 53.050 -0.124 0.000 0.870 712 N CB -0.093 38.282 38.487 -0.186 0.000 1.124 712 N HN 0.246 nan 8.380 nan 0.000 0.505 713 Y N -0.219 120.096 120.300 0.025 0.000 2.462 713 Y HA 0.488 5.037 4.550 -0.001 0.000 0.346 713 Y C -0.019 175.826 175.900 -0.091 0.000 0.976 713 Y CA -0.838 57.197 58.100 -0.109 0.000 1.044 713 Y CB 2.118 40.418 38.460 -0.266 0.000 1.230 713 Y HN -0.108 nan 8.280 nan 0.000 0.455 714 I N 2.789 123.358 120.570 -0.001 0.000 2.460 714 I HA 0.459 4.628 4.170 -0.001 0.000 0.298 714 I C -1.637 174.400 176.117 -0.133 0.000 0.989 714 I CA -0.840 60.513 61.300 0.089 0.000 1.173 714 I CB 1.105 39.243 38.000 0.231 0.000 1.338 714 I HN 0.575 nan 8.210 nan 0.000 0.456 715 Y N 6.458 126.840 120.300 0.136 0.000 2.338 715 Y HA 0.329 4.878 4.550 -0.002 0.000 0.333 715 Y C -1.079 174.837 175.900 0.027 0.000 0.968 715 Y CA -0.628 57.526 58.100 0.091 0.000 1.123 715 Y CB 1.451 39.979 38.460 0.113 0.000 1.165 715 Y HN 0.392 nan 8.280 nan 0.000 0.452 716 Y N 4.733 124.955 120.300 -0.130 0.000 2.402 716 Y HA 0.624 5.173 4.550 -0.001 0.000 0.332 716 Y C -1.225 174.777 175.900 0.171 0.000 0.960 716 Y CA -1.995 55.953 58.100 -0.252 0.000 1.228 716 Y CB 0.761 38.625 38.460 -0.993 0.000 1.120 716 Y HN 0.659 nan 8.280 nan 0.000 0.491 717 M N 8.733 128.342 119.600 0.015 0.000 2.180 717 M HA 0.494 4.973 4.480 -0.001 0.000 0.350 717 M C -1.262 174.984 176.300 -0.090 0.000 1.125 717 M CA -0.350 54.921 55.300 -0.048 0.000 1.031 717 M CB 0.840 33.405 32.600 -0.057 0.000 1.623 717 M HN 0.605 nan 8.290 nan 0.000 0.451 718 F N -0.119 119.568 119.950 -0.439 0.000 2.713 718 F HA 0.904 5.430 4.527 -0.001 0.000 0.311 718 F C -0.302 175.389 175.800 -0.182 0.000 1.141 718 F CA -1.443 56.331 58.000 -0.376 0.000 0.939 718 F CB 0.695 39.262 39.000 -0.722 0.000 1.325 718 F HN 0.530 nan 8.300 nan 0.000 0.453 719 G N -0.360 108.348 108.800 -0.153 0.000 2.476 719 G HA2 0.573 4.532 3.960 -0.001 0.000 0.269 719 G HA3 0.573 4.532 3.960 -0.001 0.000 0.269 719 G C -0.666 174.109 174.900 -0.208 0.000 1.195 719 G CA -0.427 44.547 45.100 -0.210 0.000 0.843 719 G HN 1.304 nan 8.290 nan 0.000 0.545 720 G N -0.027 108.695 108.800 -0.131 0.000 2.720 720 G HA2 0.591 4.550 3.960 -0.001 0.000 0.295 720 G HA3 0.591 4.550 3.960 -0.001 0.000 0.295 720 G C -0.873 173.976 174.900 -0.085 0.000 1.437 720 G CA -0.633 44.353 45.100 -0.190 0.000 0.886 720 G HN 0.573 nan 8.290 nan 0.000 0.509 721 E N -0.670 119.428 120.200 -0.170 0.000 2.405 721 E HA 0.599 4.949 4.350 -0.001 0.000 0.249 721 E C -0.692 175.757 176.600 -0.252 0.000 1.028 721 E CA -0.704 55.573 56.400 -0.205 0.000 0.897 721 E CB 1.486 31.040 29.700 -0.244 0.000 1.262 721 E HN 0.649 nan 8.360 nan 0.000 0.442 722 D N -1.893 118.322 120.400 -0.308 0.000 2.732 722 D HA 0.167 4.806 4.640 -0.001 0.000 0.292 722 D C 0.275 176.257 176.300 -0.530 0.000 1.135 722 D CA -0.544 53.190 54.000 -0.444 0.000 1.071 722 D CB 0.185 40.772 40.800 -0.354 0.000 1.457 722 D HN 0.334 nan 8.370 nan 0.000 0.547 723 H N -1.103 117.680 119.070 -0.477 0.000 2.547 723 H HA 0.172 4.727 4.556 -0.002 0.000 0.266 723 H C -0.231 174.899 175.328 -0.329 0.000 0.988 723 H CA 0.104 55.909 56.048 -0.406 0.000 1.147 723 H CB -0.291 29.262 29.762 -0.349 0.000 1.365 723 H HN 0.186 nan 8.280 nan 0.000 0.589 724 F N 1.891 121.771 119.950 -0.116 0.000 2.438 724 F HA 0.093 4.619 4.527 -0.001 0.000 0.360 724 F C 1.209 176.775 175.800 -0.391 0.000 1.118 724 F CA -1.059 56.828 58.000 -0.189 0.000 1.164 724 F CB 0.007 38.926 39.000 -0.135 0.000 1.131 724 F HN -0.039 nan 8.300 nan 0.000 0.527 725 N N 6.014 124.429 118.700 -0.475 0.000 2.458 725 N HA 0.033 4.772 4.740 -0.001 0.000 0.258 725 N C -1.540 173.324 175.510 -1.077 0.000 1.219 725 N CA -1.138 51.356 53.050 -0.926 0.000 0.902 725 N CB 1.287 38.787 38.487 -1.644 0.000 1.076 725 N HN 0.207 nan 8.380 nan 0.000 0.455 726 P HA -0.025 nan 4.420 nan 0.000 0.233 726 P C -0.546 176.607 177.300 -0.246 0.000 1.167 726 P CA 0.524 63.382 63.100 -0.403 0.000 0.770 726 P CB -0.149 31.494 31.700 -0.095 0.000 0.837 727 W N -1.428 119.873 121.300 0.002 0.000 4.706 727 W HA -0.180 4.479 4.660 -0.002 0.000 0.366 727 W C 1.023 177.533 176.519 -0.016 0.000 1.382 727 W CA 0.192 57.545 57.345 0.012 0.000 0.832 727 W CB -3.170 26.290 29.460 -0.001 0.000 2.504 727 W HN -0.083 nan 8.180 nan 0.000 1.403 728 T N -1.409 113.180 114.554 0.059 0.000 2.788 728 T HA -0.197 4.152 4.350 -0.001 0.000 0.268 728 T C 0.379 174.933 174.700 -0.243 0.000 1.044 728 T CA 1.326 63.347 62.100 -0.131 0.000 1.139 728 T CB -0.230 68.462 68.868 -0.293 0.000 0.867 728 T HN 0.077 nan 8.240 nan 0.000 0.454 729 Y N 1.253 121.673 120.300 0.200 0.000 2.595 729 Y HA 0.591 5.140 4.550 -0.001 0.000 0.336 729 Y C 0.918 176.957 175.900 0.231 0.000 0.996 729 Y CA -0.545 57.665 58.100 0.182 0.000 1.260 729 Y CB 0.619 39.177 38.460 0.163 0.000 1.108 729 Y HN 0.284 nan 8.280 nan 0.000 0.509 730 G N 1.966 110.935 108.800 0.282 0.000 2.334 730 G HA2 -0.086 3.873 3.960 -0.001 0.000 0.249 730 G HA3 -0.086 3.873 3.960 -0.001 0.000 0.249 730 G C -0.605 174.369 174.900 0.122 0.000 1.327 730 G CA -0.229 44.995 45.100 0.207 0.000 0.979 730 G HN 0.412 nan 8.290 nan 0.000 0.471 731 D N -0.492 119.942 120.400 0.058 0.000 2.349 731 D HA 0.168 4.807 4.640 -0.001 0.000 0.224 731 D C 0.768 177.108 176.300 0.068 0.000 1.029 731 D CA 0.400 54.413 54.000 0.023 0.000 0.879 731 D CB 0.269 41.030 40.800 -0.065 0.000 0.906 731 D HN 0.255 nan 8.370 nan 0.000 0.528 732 N N -0.010 118.766 118.700 0.126 0.000 2.646 732 N HA 0.028 4.767 4.740 -0.001 0.000 0.303 732 N C 0.642 176.206 175.510 0.091 0.000 1.921 732 N CA 0.245 53.362 53.050 0.112 0.000 0.872 732 N CB 0.478 39.047 38.487 0.137 0.000 1.327 732 N HN 0.049 nan 8.380 nan 0.000 0.492 733 S N -1.226 114.514 115.700 0.067 0.000 2.419 733 S HA -0.099 4.370 4.470 -0.001 0.000 0.233 733 S C 1.864 176.491 174.600 0.045 0.000 1.016 733 S CA 0.894 59.112 58.200 0.031 0.000 0.974 733 S CB -0.121 63.101 63.200 0.038 0.000 0.786 733 S HN 0.305 nan 8.310 nan 0.000 0.492 734 A N 1.575 124.433 122.820 0.063 0.000 2.119 734 A HA 0.161 4.480 4.320 -0.001 0.000 0.217 734 A C 1.162 178.807 177.584 0.102 0.000 1.153 734 A CA 0.830 52.910 52.037 0.072 0.000 0.692 734 A CB -0.659 18.384 19.000 0.072 0.000 0.799 734 A HN 0.582 nan 8.150 nan 0.000 0.458 735 K N -0.358 120.117 120.400 0.125 0.000 3.129 735 K HA -0.168 4.151 4.320 -0.001 0.000 0.273 735 K C -0.593 176.149 176.600 0.237 0.000 1.123 735 K CA 0.709 57.133 56.287 0.229 0.000 0.800 735 K CB -1.609 31.043 32.500 0.253 0.000 1.238 735 K HN 0.619 nan 8.250 nan 0.000 0.492 736 D N 0.711 121.177 120.400 0.109 0.000 2.412 736 D HA 0.033 4.673 4.640 -0.001 0.000 0.257 736 D C -1.399 174.834 176.300 -0.112 0.000 1.217 736 D CA -1.925 52.108 54.000 0.056 0.000 0.897 736 D CB 1.060 41.909 40.800 0.082 0.000 1.132 736 D HN -0.031 nan 8.370 nan 0.000 0.493 737 P HA -0.059 nan 4.420 nan 0.000 0.222 737 P C 0.491 177.344 177.300 -0.746 0.000 1.147 737 P CA 0.848 63.545 63.100 -0.672 0.000 0.790 737 P CB 0.026 31.002 31.700 -1.207 0.000 0.780 738 F N -0.836 119.066 119.950 -0.079 0.000 2.693 738 F HA 0.194 4.720 4.527 -0.001 0.000 0.303 738 F C 0.982 176.761 175.800 -0.034 0.000 1.097 738 F CA -0.155 57.810 58.000 -0.059 0.000 1.330 738 F CB -0.484 38.497 39.000 -0.032 0.000 1.067 738 F HN -0.295 nan 8.300 nan 0.000 0.565 739 K N 0.192 120.618 120.400 0.045 0.000 2.172 739 K HA 0.392 4.711 4.320 -0.001 0.000 0.276 739 K C 0.971 177.579 176.600 0.013 0.000 1.013 739 K CA 0.070 56.382 56.287 0.040 0.000 0.913 739 K CB 1.584 34.110 32.500 0.043 0.000 1.055 739 K HN 0.070 nan 8.250 nan 0.000 0.461 740 S N 1.722 117.439 115.700 0.029 0.000 3.938 740 S HA -0.244 4.226 4.470 -0.001 0.000 0.624 740 S C 0.387 174.958 174.600 -0.049 0.000 2.186 740 S CA 1.646 59.864 58.200 0.031 0.000 4.144 740 S CB -0.894 62.414 63.200 0.181 0.000 0.230 740 S HN 0.866 nan 8.310 nan 0.000 0.755 741 D N 2.727 123.073 120.400 -0.091 0.000 2.325 741 D HA 0.356 4.995 4.640 -0.001 0.000 0.225 741 D C 1.347 177.539 176.300 -0.180 0.000 1.096 741 D CA 1.156 55.035 54.000 -0.202 0.000 0.844 741 D CB -0.333 40.235 40.800 -0.386 0.000 0.925 741 D HN 0.935 nan 8.370 nan 0.000 0.513 742 G N 1.314 109.979 108.800 -0.225 0.000 2.614 742 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.303 742 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.303 742 G C -0.147 174.460 174.900 -0.488 0.000 1.270 742 G CA -0.157 44.699 45.100 -0.407 0.000 0.988 742 G HN 0.407 nan 8.290 nan 0.000 0.551 743 H N 2.070 121.068 119.070 -0.119 0.000 2.459 743 H HA 0.363 4.918 4.556 -0.001 0.000 0.332 743 H C -1.257 173.959 175.328 -0.187 0.000 1.094 743 H CA -1.089 54.873 56.048 -0.142 0.000 1.224 743 H CB 1.934 31.657 29.762 -0.067 0.000 1.449 743 H HN 0.308 nan 8.280 nan 0.000 0.484 744 P HA -0.088 nan 4.420 nan 0.000 0.225 744 P C 0.815 177.988 177.300 -0.211 0.000 1.156 744 P CA 0.420 63.429 63.100 -0.152 0.000 0.787 744 P CB 0.468 32.048 31.700 -0.198 0.000 0.802 745 S N 0.657 116.139 115.700 -0.363 0.000 2.516 745 S HA 0.147 4.616 4.470 -0.001 0.000 0.282 745 S C -0.104 174.354 174.600 -0.237 0.000 1.286 745 S CA 0.016 57.992 58.200 -0.374 0.000 1.066 745 S CB -0.318 62.475 63.200 -0.679 0.000 0.884 745 S HN -0.014 nan 8.310 nan 0.000 0.491 746 D N 2.324 122.598 120.400 -0.210 0.000 2.596 746 D HA 0.369 5.008 4.640 -0.001 0.000 0.262 746 D C -0.793 175.272 176.300 -0.393 0.000 1.210 746 D CA -0.502 53.322 54.000 -0.293 0.000 0.873 746 D CB 1.371 41.980 40.800 -0.319 0.000 1.408 746 D HN 0.408 nan 8.370 nan 0.000 0.441 747 L N 1.056 121.932 121.223 -0.577 0.000 2.357 747 L HA 0.449 4.788 4.340 -0.001 0.000 0.273 747 L C -0.759 175.590 176.870 -0.869 0.000 1.080 747 L CA -0.521 53.949 54.840 -0.618 0.000 0.803 747 L CB 0.551 42.225 42.059 -0.642 0.000 1.174 747 L HN 0.317 nan 8.230 nan 0.000 0.443 748 Y N 0.451 120.333 120.300 -0.696 0.000 2.602 748 Y HA 0.521 5.071 4.550 -0.001 0.000 0.342 748 Y C -0.289 175.300 175.900 -0.518 0.000 1.029 748 Y CA -0.644 57.071 58.100 -0.641 0.000 1.080 748 Y CB 2.187 40.158 38.460 -0.815 0.000 1.284 748 Y HN 0.475 nan 8.280 nan 0.000 0.485 749 C N 2.230 121.508 119.300 -0.037 0.000 2.446 749 C HA 0.482 4.941 4.460 -0.001 0.000 0.329 749 C C -1.493 173.738 174.990 0.401 0.000 1.166 749 C CA -0.826 58.273 59.018 0.134 0.000 1.341 749 C CB -0.642 27.076 27.740 -0.037 0.000 1.970 749 C HN 0.791 nan 8.230 nan 0.000 0.452 750 Y N 5.015 125.533 120.300 0.363 0.000 2.350 750 Y HA 0.452 5.001 4.550 -0.001 0.000 0.340 750 Y C 0.303 176.299 175.900 0.160 0.000 1.006 750 Y CA 0.271 58.553 58.100 0.302 0.000 1.166 750 Y CB 0.485 39.118 38.460 0.289 0.000 1.168 750 Y HN 0.717 nan 8.280 nan 0.000 0.502 751 K N 8.201 128.483 120.400 -0.197 0.000 2.293 751 K HA 0.418 4.737 4.320 -0.001 0.000 0.267 751 K C -1.383 175.079 176.600 -0.231 0.000 1.010 751 K CA -0.637 55.487 56.287 -0.271 0.000 0.875 751 K CB 0.686 33.044 32.500 -0.237 0.000 1.106 751 K HN 0.859 nan 8.250 nan 0.000 0.450 752 M N 4.362 123.941 119.600 -0.036 0.000 2.393 752 M HA 0.276 4.755 4.480 -0.001 0.000 0.316 752 M C -0.978 175.381 176.300 0.098 0.000 1.087 752 M CA -0.763 54.601 55.300 0.108 0.000 0.937 752 M CB 1.573 34.325 32.600 0.252 0.000 1.668 752 M HN 0.509 nan 8.290 nan 0.000 0.438 753 K N 4.097 124.516 120.400 0.033 0.000 2.379 753 K HA 0.179 4.498 4.320 -0.001 0.000 0.284 753 K C 0.079 176.577 176.600 -0.170 0.000 1.044 753 K CA 0.091 56.234 56.287 -0.239 0.000 0.974 753 K CB 0.340 32.719 32.500 -0.202 0.000 0.962 753 K HN 0.745 nan 8.250 nan 0.000 0.474 754 I N 0.384 120.826 120.570 -0.213 0.000 4.338 754 I HA 0.420 4.589 4.170 -0.001 0.000 0.329 754 I C 0.269 176.320 176.117 -0.111 0.000 1.378 754 I CA -0.418 60.819 61.300 -0.106 0.000 1.170 754 I CB 1.225 39.208 38.000 -0.029 0.000 1.206 754 I HN 0.556 nan 8.210 nan 0.000 0.432 755 G N 0.196 108.892 108.800 -0.174 0.000 2.550 755 G HA2 0.588 4.547 3.960 -0.001 0.000 0.293 755 G HA3 0.588 4.547 3.960 -0.001 0.000 0.293 755 G C -3.388 171.417 174.900 -0.159 0.000 1.402 755 G CA -1.253 43.769 45.100 -0.130 0.000 0.784 755 G HN -0.194 nan 8.290 nan 0.000 0.482 756 P HA 0.218 nan 4.420 nan 0.000 0.269 756 P C -1.063 176.185 177.300 -0.088 0.000 1.209 756 P CA 0.016 63.065 63.100 -0.084 0.000 0.776 756 P CB 0.851 32.523 31.700 -0.047 0.000 0.876 757 D N 1.851 122.213 120.400 -0.065 0.000 2.440 757 D HA 0.150 4.789 4.640 -0.001 0.000 0.239 757 D C -0.240 176.064 176.300 0.007 0.000 1.084 757 D CA -0.283 53.705 54.000 -0.019 0.000 0.843 757 D CB -0.016 40.794 40.800 0.016 0.000 1.097 757 D HN 0.186 nan 8.370 nan 0.000 0.531 758 N N 2.382 121.090 118.700 0.014 0.000 2.295 758 N HA 0.138 4.877 4.740 -0.001 0.000 0.221 758 N C -0.016 175.508 175.510 0.023 0.000 1.129 758 N CA -0.056 53.002 53.050 0.014 0.000 0.836 758 N CB 0.675 39.169 38.487 0.010 0.000 1.040 758 N HN 0.089 nan 8.380 nan 0.000 0.494 759 R N -0.049 120.471 120.500 0.034 0.000 2.854 759 R HA 0.447 4.787 4.340 -0.001 0.000 0.271 759 R C -0.569 175.755 176.300 0.040 0.000 0.994 759 R CA -0.934 55.189 56.100 0.037 0.000 0.945 759 R CB 1.925 32.252 30.300 0.044 0.000 1.194 759 R HN -0.109 nan 8.270 nan 0.000 0.476 760 V N 1.387 121.322 119.914 0.035 0.000 2.999 760 V HA -0.054 4.065 4.120 -0.001 0.000 0.307 760 V C 0.852 176.973 176.094 0.045 0.000 1.084 760 V CA 0.310 62.631 62.300 0.036 0.000 1.155 760 V CB 1.514 33.355 31.823 0.030 0.000 0.975 760 V HN 0.781 nan 8.190 nan 0.000 0.490 761 S N 2.504 118.231 115.700 0.046 0.000 2.558 761 S HA 0.067 4.536 4.470 -0.001 0.000 0.288 761 S C 0.972 175.601 174.600 0.050 0.000 1.318 761 S CA -0.205 58.024 58.200 0.048 0.000 1.056 761 S CB 0.120 63.345 63.200 0.042 0.000 0.853 761 S HN 0.635 nan 8.310 nan 0.000 0.505 762 R N 1.889 122.415 120.500 0.043 0.000 2.334 762 R HA 0.275 4.614 4.340 -0.001 0.000 0.216 762 R C -0.407 175.933 176.300 0.067 0.000 0.905 762 R CA -0.044 56.093 56.100 0.062 0.000 1.064 762 R CB -0.113 30.212 30.300 0.043 0.000 1.046 762 R HN 0.539 nan 8.270 nan 0.000 0.508 763 D N 1.029 121.431 120.400 0.004 0.000 2.455 763 D HA 0.063 4.702 4.640 -0.001 0.000 0.241 763 D C -0.216 176.104 176.300 0.033 0.000 1.138 763 D CA 0.643 54.596 54.000 -0.078 0.000 0.877 763 D CB 0.371 41.140 40.800 -0.052 0.000 1.187 763 D HN 0.012 nan 8.370 nan 0.000 0.451 764 F N -0.853 119.128 119.950 0.051 0.000 2.603 764 F HA 0.543 5.070 4.527 -0.001 0.000 0.317 764 F C -0.173 175.674 175.800 0.078 0.000 1.066 764 F CA -1.542 56.488 58.000 0.051 0.000 0.941 764 F CB 1.203 40.227 39.000 0.040 0.000 1.291 764 F HN 0.031 nan 8.300 nan 0.000 0.472 765 R N 1.736 122.431 120.500 0.324 0.000 2.297 765 R HA 0.302 4.641 4.340 -0.001 0.000 0.308 765 R C -1.662 174.880 176.300 0.403 0.000 1.029 765 R CA -0.666 55.595 56.100 0.269 0.000 0.929 765 R CB 0.695 31.083 30.300 0.148 0.000 1.046 765 R HN 0.908 nan 8.270 nan 0.000 0.461 766 Y N 3.223 123.697 120.300 0.289 0.000 2.436 766 Y HA 0.289 4.838 4.550 -0.001 0.000 0.343 766 Y C 0.636 176.606 175.900 0.116 0.000 1.008 766 Y CA 0.514 58.761 58.100 0.246 0.000 1.241 766 Y CB 1.291 39.901 38.460 0.250 0.000 1.153 766 Y HN 0.836 nan 8.280 nan 0.000 0.521 767 G N 4.318 112.972 108.800 -0.243 0.000 3.441 767 G HA2 0.416 4.375 3.960 -0.001 0.000 0.263 767 G HA3 0.416 4.375 3.960 -0.001 0.000 0.263 767 G C -0.049 174.681 174.900 -0.283 0.000 1.014 767 G CA 0.261 45.262 45.100 -0.165 0.000 0.833 767 G HN 0.844 nan 8.290 nan 0.000 0.514 768 A N 0.008 122.444 122.820 -0.641 0.000 2.286 768 A HA 0.659 4.978 4.320 -0.001 0.000 0.286 768 A C 0.085 177.550 177.584 -0.197 0.000 1.097 768 A CA -0.306 51.456 52.037 -0.458 0.000 0.821 768 A CB 1.080 19.724 19.000 -0.593 0.000 1.076 768 A HN 0.266 nan 8.150 nan 0.000 0.490 769 V N 2.948 122.815 119.914 -0.079 0.000 2.470 769 V HA 0.171 4.290 4.120 -0.001 0.000 0.276 769 V C -1.969 174.164 176.094 0.066 0.000 1.040 769 V CA -0.753 61.556 62.300 0.015 0.000 1.008 769 V CB 0.502 32.321 31.823 -0.007 0.000 0.990 769 V HN 0.738 nan 8.190 nan 0.000 0.477 770 P HA 0.159 nan 4.420 nan 0.000 0.265 770 P C -0.052 177.277 177.300 0.048 0.000 1.222 770 P CA 0.237 63.440 63.100 0.171 0.000 0.767 770 P CB 0.246 32.030 31.700 0.139 0.000 0.801 771 N N 2.421 121.134 118.700 0.021 0.000 2.451 771 N HA 0.105 4.844 4.740 -0.001 0.000 0.271 771 N C 0.707 176.198 175.510 -0.033 0.000 1.410 771 N CA -0.071 52.943 53.050 -0.061 0.000 0.884 771 N CB 0.235 38.638 38.487 -0.140 0.000 1.332 771 N HN 0.034 nan 8.380 nan 0.000 0.498 772 R N -0.367 120.132 120.500 -0.001 0.000 2.142 772 R HA 0.372 4.712 4.340 -0.001 0.000 0.204 772 R C 1.735 178.025 176.300 -0.017 0.000 1.059 772 R CA 0.856 56.958 56.100 0.003 0.000 1.055 772 R CB -0.924 29.382 30.300 0.011 0.000 0.976 772 R HN 0.168 nan 8.270 nan 0.000 0.483 773 A N 1.016 123.822 122.820 -0.024 0.000 1.855 773 A HA -0.012 4.307 4.320 -0.001 0.000 0.215 773 A C 0.850 178.398 177.584 -0.060 0.000 1.191 773 A CA 1.178 53.188 52.037 -0.046 0.000 0.613 773 A CB -0.037 18.941 19.000 -0.037 0.000 0.829 773 A HN 0.044 nan 8.150 nan 0.000 0.442 774 V N 1.230 121.114 119.914 -0.050 0.000 2.320 774 V HA 0.274 4.393 4.120 -0.001 0.000 0.268 774 V C -2.872 173.182 176.094 -0.067 0.000 1.021 774 V CA -1.541 60.731 62.300 -0.047 0.000 0.813 774 V CB 0.871 32.678 31.823 -0.027 0.000 1.054 774 V HN 0.196 nan 8.190 nan 0.000 0.444 775 P HA 0.194 nan 4.420 nan 0.000 0.270 775 P C -0.474 176.680 177.300 -0.243 0.000 1.242 775 P CA 0.327 63.352 63.100 -0.124 0.000 0.768 775 P CB 0.834 32.593 31.700 0.098 0.000 0.820 776 V N 5.579 125.162 119.914 -0.552 0.000 2.495 776 V HA 0.522 4.641 4.120 -0.001 0.000 0.298 776 V C -0.372 175.193 176.094 -0.882 0.000 1.031 776 V CA -0.351 61.659 62.300 -0.484 0.000 0.871 776 V CB 1.095 32.748 31.823 -0.283 0.000 0.988 776 V HN 0.314 nan 8.190 nan 0.000 0.432 777 F N 3.158 123.085 119.950 -0.037 0.000 2.547 777 F HA 0.558 5.084 4.527 -0.002 0.000 0.316 777 F C -0.336 175.455 175.800 -0.015 0.000 1.121 777 F CA -0.720 57.297 58.000 0.028 0.000 0.911 777 F CB 1.548 40.566 39.000 0.030 0.000 1.179 777 F HN 0.283 nan 8.300 nan 0.000 0.443 778 F N 2.623 122.652 119.950 0.133 0.000 2.494 778 F HA 0.111 4.636 4.527 -0.004 0.000 0.369 778 F C 0.980 176.835 175.800 0.093 0.000 1.098 778 F CA 0.056 58.105 58.000 0.082 0.000 1.154 778 F CB 0.033 39.060 39.000 0.045 0.000 1.103 778 F HN 0.454 nan 8.300 nan 0.000 0.549 779 D N 1.527 122.028 120.400 0.169 0.000 2.384 779 D HA -0.041 4.598 4.640 -0.001 0.000 0.244 779 D C 1.592 177.962 176.300 0.117 0.000 1.251 779 D CA 0.285 54.356 54.000 0.117 0.000 0.961 779 D CB 1.112 41.949 40.800 0.062 0.000 1.116 779 D HN 0.595 nan 8.370 nan 0.000 0.484 780 T N -1.453 113.145 114.554 0.074 0.000 2.977 780 T HA -0.192 4.157 4.350 -0.001 0.000 0.271 780 T C 1.140 175.875 174.700 0.058 0.000 1.105 780 T CA 1.050 63.186 62.100 0.059 0.000 1.116 780 T CB -0.222 68.667 68.868 0.035 0.000 0.878 780 T HN 0.506 nan 8.240 nan 0.000 0.509 781 N N 0.996 119.732 118.700 0.059 0.000 2.235 781 N HA 0.200 4.939 4.740 -0.001 0.000 0.209 781 N C 1.332 176.889 175.510 0.078 0.000 1.122 781 N CA 0.505 53.587 53.050 0.054 0.000 0.845 781 N CB 0.014 38.522 38.487 0.034 0.000 1.004 781 N HN 0.604 nan 8.380 nan 0.000 0.499 782 G N 0.021 108.898 108.800 0.129 0.000 2.136 782 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.242 782 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.242 782 G C -0.425 174.610 174.900 0.226 0.000 0.989 782 G CA 0.282 45.515 45.100 0.222 0.000 0.682 782 G HN 0.274 nan 8.290 nan 0.000 0.522 783 V N 0.650 120.614 119.914 0.083 0.000 2.435 783 V HA 0.474 4.593 4.120 -0.001 0.000 0.290 783 V C 1.109 177.074 176.094 -0.216 0.000 1.030 783 V CA -1.034 61.238 62.300 -0.047 0.000 0.881 783 V CB 1.525 33.333 31.823 -0.025 0.000 0.983 783 V HN 0.399 nan 8.190 nan 0.000 0.445 784 R N 2.503 122.736 120.500 -0.446 0.000 2.480 784 R HA 0.269 4.608 4.340 -0.001 0.000 0.303 784 R C -0.195 175.973 176.300 -0.220 0.000 0.985 784 R CA 0.350 56.129 56.100 -0.535 0.000 1.051 784 R CB 0.069 30.059 30.300 -0.516 0.000 0.935 784 R HN 0.737 nan 8.270 nan 0.000 0.410 785 T N 2.505 116.986 114.554 -0.121 0.000 2.812 785 T HA 0.290 4.640 4.350 -0.001 0.000 0.282 785 T C -0.508 174.238 174.700 0.077 0.000 0.990 785 T CA -0.680 61.422 62.100 0.003 0.000 0.960 785 T CB 1.762 70.661 68.868 0.052 0.000 0.948 785 T HN 0.152 nan 8.240 nan 0.000 0.438 786 V N 6.233 126.183 119.914 0.060 0.000 2.311 786 V HA 0.284 4.403 4.120 -0.001 0.000 0.275 786 V C -1.539 174.617 176.094 0.104 0.000 1.022 786 V CA -1.354 61.001 62.300 0.092 0.000 0.830 786 V CB 1.188 33.047 31.823 0.060 0.000 1.012 786 V HN 0.756 nan 8.190 nan 0.000 0.452 787 P HA 0.229 nan 4.420 nan 0.000 0.245 787 P C 0.474 177.809 177.300 0.058 0.000 1.203 787 P CA 0.172 63.321 63.100 0.081 0.000 0.792 787 P CB 0.427 32.159 31.700 0.054 0.000 0.997 788 A N 2.202 125.064 122.820 0.071 0.000 2.388 788 A HA 0.457 4.776 4.320 -0.001 0.000 0.257 788 A C -1.958 175.638 177.584 0.020 0.000 1.095 788 A CA -1.089 50.969 52.037 0.035 0.000 0.791 788 A CB -0.687 18.329 19.000 0.026 0.000 1.029 788 A HN 0.055 nan 8.150 nan 0.000 0.489 789 P HA 0.333 nan 4.420 nan 0.000 0.271 789 P C -0.739 176.546 177.300 -0.025 0.000 1.216 789 P CA 0.370 63.469 63.100 -0.001 0.000 0.776 789 P CB 0.686 32.379 31.700 -0.011 0.000 0.881 790 M N 1.408 121.001 119.600 -0.012 0.000 2.550 790 M HA 0.323 4.802 4.480 -0.001 0.000 0.292 790 M C -0.410 175.849 176.300 -0.068 0.000 1.221 790 M CA -0.696 54.550 55.300 -0.090 0.000 0.873 790 M CB 3.016 35.542 32.600 -0.123 0.000 1.727 790 M HN 0.188 nan 8.290 nan 0.000 0.459 791 E N 2.094 122.181 120.200 -0.188 0.000 2.155 791 E HA 0.410 4.760 4.350 -0.001 0.000 0.264 791 E C -1.627 174.830 176.600 -0.238 0.000 0.886 791 E CA -0.181 56.156 56.400 -0.105 0.000 0.752 791 E CB 1.488 31.144 29.700 -0.074 0.000 1.133 791 E HN 0.421 nan 8.360 nan 0.000 0.414 792 F N 1.579 121.512 119.950 -0.028 0.000 2.313 792 F HA 0.115 4.641 4.527 -0.001 0.000 0.369 792 F C 1.746 177.533 175.800 -0.021 0.000 1.109 792 F CA -0.333 57.645 58.000 -0.037 0.000 1.132 792 F CB 1.169 40.145 39.000 -0.039 0.000 1.291 792 F HN 0.319 nan 8.300 nan 0.000 0.496 793 T N -0.846 113.761 114.554 0.089 0.000 3.051 793 T HA 0.223 4.572 4.350 -0.001 0.000 0.255 793 T C 1.085 175.827 174.700 0.071 0.000 1.085 793 T CA 0.194 62.344 62.100 0.083 0.000 1.109 793 T CB -0.101 68.822 68.868 0.092 0.000 0.921 793 T HN 0.514 nan 8.240 nan 0.000 0.488 794 G N 1.098 109.923 108.800 0.042 0.000 2.539 794 G HA2 0.409 4.368 3.960 -0.001 0.000 0.258 794 G HA3 0.409 4.368 3.960 -0.001 0.000 0.258 794 G C -0.886 174.039 174.900 0.042 0.000 1.202 794 G CA -0.639 44.470 45.100 0.015 0.000 0.851 794 G HN 0.216 nan 8.290 nan 0.000 0.556 795 D N -0.546 119.875 120.400 0.035 0.000 2.531 795 D HA 0.121 4.760 4.640 -0.001 0.000 0.239 795 D C -0.127 176.182 176.300 0.015 0.000 1.144 795 D CA 0.450 54.468 54.000 0.031 0.000 0.869 795 D CB 1.256 42.076 40.800 0.033 0.000 1.160 795 D HN 0.040 nan 8.370 nan 0.000 0.484 796 L N 2.228 123.452 121.223 0.001 0.000 2.333 796 L HA 0.561 4.900 4.340 -0.001 0.000 0.280 796 L C 0.199 177.042 176.870 -0.044 0.000 1.004 796 L CA -0.431 54.387 54.840 -0.037 0.000 0.820 796 L CB 1.948 43.967 42.059 -0.065 0.000 1.247 796 L HN 0.339 nan 8.230 nan 0.000 0.416 797 G N 5.840 114.607 108.800 -0.055 0.000 2.417 797 G HA2 0.628 4.587 3.960 -0.001 0.000 0.320 797 G HA3 0.628 4.587 3.960 -0.001 0.000 0.320 797 G C -1.262 173.595 174.900 -0.073 0.000 1.204 797 G CA -0.430 44.639 45.100 -0.050 0.000 0.923 797 G HN 0.516 nan 8.290 nan 0.000 0.466 798 L N 2.075 123.255 121.223 -0.072 0.000 2.354 798 L HA 0.682 5.021 4.340 -0.001 0.000 0.269 798 L C 1.132 177.966 176.870 -0.059 0.000 1.005 798 L CA -1.014 53.777 54.840 -0.082 0.000 0.819 798 L CB 2.178 44.177 42.059 -0.100 0.000 1.311 798 L HN 0.655 nan 8.230 nan 0.000 0.423 799 G N -0.774 107.999 108.800 -0.045 0.000 3.086 799 G HA2 0.042 4.002 3.960 -0.001 0.000 0.159 799 G HA3 0.042 4.002 3.960 -0.001 0.000 0.159 799 G C -0.206 174.691 174.900 -0.005 0.000 1.654 799 G CA -0.234 44.858 45.100 -0.013 0.000 1.078 799 G HN 0.639 nan 8.290 nan 0.000 0.558 800 H N -0.136 118.906 119.070 -0.047 0.000 2.929 800 H HA 0.300 4.856 4.556 -0.000 0.000 0.317 800 H C -0.889 174.411 175.328 -0.047 0.000 1.031 800 H CA 0.211 56.233 56.048 -0.045 0.000 1.466 800 H CB 0.505 30.244 29.762 -0.038 0.000 1.482 800 H HN -0.034 nan 8.280 nan 0.000 0.561 801 V N 5.539 125.173 119.914 -0.467 0.000 2.540 801 V HA 0.196 4.315 4.120 -0.001 0.000 0.302 801 V C -0.013 175.907 176.094 -0.290 0.000 1.035 801 V CA -0.702 61.444 62.300 -0.256 0.000 0.873 801 V CB 2.042 33.754 31.823 -0.185 0.000 0.992 801 V HN 0.842 nan 8.190 nan 0.000 0.428 802 T N 5.913 120.417 114.554 -0.084 0.000 2.786 802 T HA 0.606 4.955 4.350 -0.001 0.000 0.283 802 T C -0.251 174.433 174.700 -0.026 0.000 0.992 802 T CA -0.169 61.914 62.100 -0.028 0.000 0.954 802 T CB 0.962 69.868 68.868 0.063 0.000 0.934 802 T HN 0.402 nan 8.240 nan 0.000 0.440 803 I N 4.189 124.741 120.570 -0.029 0.000 2.297 803 I HA 0.318 4.487 4.170 -0.001 0.000 0.291 803 I C 0.913 177.027 176.117 -0.005 0.000 1.033 803 I CA -0.743 60.546 61.300 -0.019 0.000 1.253 803 I CB 0.543 38.530 38.000 -0.021 0.000 1.396 803 I HN 0.331 nan 8.210 nan 0.000 0.476 804 R N 4.304 124.804 120.500 -0.001 0.000 2.577 804 R HA 0.563 4.902 4.340 -0.001 0.000 0.269 804 R C 0.123 176.425 176.300 0.003 0.000 1.084 804 R CA -0.741 55.361 56.100 0.003 0.000 1.163 804 R CB 0.730 31.033 30.300 0.004 0.000 1.100 804 R HN 0.675 nan 8.270 nan 0.000 0.547 805 A N 0.948 123.770 122.820 0.004 0.000 2.548 805 A HA 0.081 4.401 4.320 -0.001 0.000 0.247 805 A C 0.935 178.521 177.584 0.003 0.000 1.067 805 A CA 0.508 52.547 52.037 0.003 0.000 0.757 805 A CB 0.032 19.034 19.000 0.003 0.000 0.996 805 A HN 0.885 nan 8.150 nan 0.000 0.504 806 S N 0.643 116.345 115.700 0.003 0.000 2.546 806 S HA 0.210 4.679 4.470 -0.001 0.000 0.282 806 S C 0.360 174.963 174.600 0.004 0.000 1.074 806 S CA 0.590 58.792 58.200 0.004 0.000 1.254 806 S CB 0.235 63.438 63.200 0.005 0.000 1.103 806 S HN 0.701 nan 8.310 nan 0.000 0.589 807 T N 1.896 116.453 114.554 0.004 0.000 2.876 807 T HA 0.691 5.040 4.350 -0.001 0.000 0.289 807 T C -0.549 174.153 174.700 0.004 0.000 1.014 807 T CA 0.146 62.249 62.100 0.004 0.000 0.986 807 T CB 1.483 70.354 68.868 0.006 0.000 1.021 807 T HN 0.610 nan 8.240 nan 0.000 0.458 808 S N 2.437 118.139 115.700 0.004 0.000 3.578 808 S HA -0.206 4.264 4.470 -0.001 0.000 0.449 808 S C 0.681 175.282 174.600 0.003 0.000 0.853 808 S CA 0.722 58.924 58.200 0.003 0.000 1.348 808 S CB -1.729 61.473 63.200 0.003 0.000 0.907 808 S HN 1.344 nan 8.310 nan 0.000 0.627 809 S N 1.525 117.227 115.700 0.002 0.000 3.581 809 S HA -0.226 4.244 4.470 -0.001 0.000 0.354 809 S C 0.494 175.095 174.600 0.001 0.000 1.059 809 S CA 1.056 59.257 58.200 0.001 0.000 1.060 809 S CB -1.491 61.710 63.200 0.001 0.000 0.908 809 S HN 1.220 nan 8.310 nan 0.000 0.475 810 N N -1.485 117.216 118.700 0.002 0.000 2.714 810 N HA -0.226 4.513 4.740 -0.001 0.000 0.250 810 N C 0.522 176.033 175.510 0.002 0.000 1.117 810 N CA 1.104 54.155 53.050 0.002 0.000 0.719 810 N CB -1.529 36.959 38.487 0.001 0.000 1.081 810 N HN 0.770 nan 8.380 nan 0.000 0.557 811 I N -0.359 120.213 120.570 0.002 0.000 2.546 811 I HA -0.136 4.033 4.170 -0.001 0.000 0.255 811 I C 1.122 177.241 176.117 0.002 0.000 1.163 811 I CA 0.960 62.261 61.300 0.002 0.000 1.457 811 I CB 0.243 38.244 38.000 0.001 0.000 1.092 811 I HN 0.268 nan 8.210 nan 0.000 0.434 812 R N -0.135 120.367 120.500 0.003 0.000 2.771 812 R HA 0.492 4.831 4.340 -0.001 0.000 0.274 812 R C -0.658 175.644 176.300 0.004 0.000 0.987 812 R CA -0.641 55.461 56.100 0.003 0.000 0.908 812 R CB 1.216 31.518 30.300 0.003 0.000 1.213 812 R HN 0.005 nan 8.270 nan 0.000 0.468 813 S N 0.274 115.977 115.700 0.004 0.000 2.610 813 S HA 0.359 4.828 4.470 -0.001 0.000 0.273 813 S C -0.380 174.222 174.600 0.004 0.000 1.274 813 S CA -0.726 57.476 58.200 0.003 0.000 1.023 813 S CB 1.380 64.581 63.200 0.002 0.000 0.962 813 S HN 0.761 nan 8.310 nan 0.000 0.523 814 E N 0.841 121.043 120.200 0.004 0.000 2.304 814 E HA 0.537 4.886 4.350 -0.001 0.000 0.277 814 E C -2.040 174.564 176.600 0.006 0.000 0.898 814 E CA -0.816 55.587 56.400 0.006 0.000 0.764 814 E CB 1.875 31.579 29.700 0.007 0.000 1.216 814 E HN 0.541 nan 8.360 nan 0.000 0.419 815 V N 5.450 125.369 119.914 0.008 0.000 2.444 815 V HA 0.430 4.549 4.120 -0.001 0.000 0.294 815 V C -0.373 175.729 176.094 0.013 0.000 1.022 815 V CA -0.666 61.639 62.300 0.009 0.000 0.850 815 V CB 1.392 33.220 31.823 0.008 0.000 0.992 815 V HN 0.644 nan 8.190 nan 0.000 0.426 816 L N 5.438 126.670 121.223 0.016 0.000 2.329 816 L HA 0.647 4.986 4.340 -0.001 0.000 0.279 816 L C -0.328 176.555 176.870 0.022 0.000 1.014 816 L CA -0.441 54.411 54.840 0.019 0.000 0.814 816 L CB 1.885 43.956 42.059 0.019 0.000 1.257 816 L HN 0.486 nan 8.230 nan 0.000 0.424 817 M N 2.714 122.329 119.600 0.026 0.000 2.268 817 M HA 0.418 4.898 4.480 -0.001 0.000 0.344 817 M C -0.375 175.942 176.300 0.027 0.000 1.106 817 M CA -0.415 54.901 55.300 0.027 0.000 1.010 817 M CB 2.213 34.835 32.600 0.036 0.000 1.649 817 M HN 0.588 nan 8.290 nan 0.000 0.443 818 E N 0.892 121.103 120.200 0.018 0.000 2.803 818 E HA 0.802 5.151 4.350 -0.001 0.000 0.250 818 E C 0.231 176.829 176.600 -0.003 0.000 1.102 818 E CA -0.512 55.897 56.400 0.015 0.000 1.017 818 E CB 1.260 30.971 29.700 0.017 0.000 1.346 818 E HN 0.863 nan 8.360 nan 0.000 0.532 819 G N 0.703 109.501 108.800 -0.003 0.000 2.760 819 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.246 819 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.246 819 G C 0.510 175.416 174.900 0.010 0.000 1.359 819 G CA 0.260 45.345 45.100 -0.025 0.000 0.861 819 G HN 0.672 nan 8.290 nan 0.000 0.541 820 E N -0.991 119.223 120.200 0.023 0.000 2.051 820 E HA -0.017 4.332 4.350 -0.001 0.000 0.192 820 E C 0.967 177.692 176.600 0.209 0.000 0.991 820 E CA 1.822 58.296 56.400 0.123 0.000 0.799 820 E CB -0.049 29.769 29.700 0.197 0.000 0.748 820 E HN 0.853 nan 8.360 nan 0.000 0.449 821 Y N -2.738 117.594 120.300 0.053 0.000 2.588 821 Y HA 0.682 5.231 4.550 -0.002 0.000 0.343 821 Y C -0.193 175.759 175.900 0.087 0.000 1.065 821 Y CA -1.033 57.107 58.100 0.067 0.000 1.038 821 Y CB 1.074 39.577 38.460 0.071 0.000 1.297 821 Y HN -0.125 nan 8.280 nan 0.000 0.467 822 G N 1.157 110.076 108.800 0.199 0.000 2.410 822 G HA2 0.535 4.494 3.960 -0.001 0.000 0.330 822 G HA3 0.535 4.494 3.960 -0.001 0.000 0.330 822 G C -2.344 172.754 174.900 0.330 0.000 1.142 822 G CA -0.669 44.518 45.100 0.145 0.000 0.902 822 G HN 0.697 nan 8.290 nan 0.000 0.491 823 F N 1.650 121.656 119.950 0.094 0.000 2.536 823 F HA 0.644 5.171 4.527 -0.001 0.000 0.322 823 F C -0.859 174.997 175.800 0.094 0.000 1.144 823 F CA -1.368 56.715 58.000 0.138 0.000 0.924 823 F CB 1.568 40.665 39.000 0.161 0.000 1.181 823 F HN 0.269 nan 8.300 nan 0.000 0.438 824 I N 6.193 126.448 120.570 -0.526 0.000 2.382 824 I HA 0.623 4.792 4.170 -0.001 0.000 0.285 824 I C 0.242 175.883 176.117 -0.792 0.000 1.007 824 I CA -0.488 60.535 61.300 -0.461 0.000 1.142 824 I CB 1.287 39.224 38.000 -0.105 0.000 1.289 824 I HN 0.762 nan 8.210 nan 0.000 0.453 825 G N 4.383 112.734 108.800 -0.748 0.000 2.818 825 G HA2 0.675 4.634 3.960 -0.001 0.000 0.286 825 G HA3 0.675 4.634 3.960 -0.001 0.000 0.286 825 G C -1.553 173.258 174.900 -0.147 0.000 1.364 825 G CA -0.549 44.246 45.100 -0.507 0.000 0.938 825 G HN 0.372 nan 8.290 nan 0.000 0.490 826 K N 0.407 120.786 120.400 -0.034 0.000 2.502 826 K HA 0.518 4.837 4.320 -0.001 0.000 0.254 826 K C 0.444 177.057 176.600 0.022 0.000 0.947 826 K CA -0.434 55.836 56.287 -0.029 0.000 0.834 826 K CB 1.182 33.648 32.500 -0.057 0.000 1.112 826 K HN 0.749 nan 8.250 nan 0.000 0.427 827 S N 4.017 119.727 115.700 0.016 0.000 2.569 827 S HA 0.172 4.641 4.470 -0.001 0.000 0.274 827 S C 0.570 175.180 174.600 0.015 0.000 1.353 827 S CA -0.482 57.734 58.200 0.027 0.000 1.023 827 S CB -0.018 63.190 63.200 0.014 0.000 0.876 827 S HN 0.545 nan 8.310 nan 0.000 0.540 828 I N 2.831 123.414 120.570 0.022 0.000 2.517 828 I HA 0.206 4.375 4.170 -0.001 0.000 0.285 828 I C -2.011 174.108 176.117 0.004 0.000 1.106 828 I CA -1.847 59.462 61.300 0.014 0.000 1.402 828 I CB -0.176 37.836 38.000 0.019 0.000 1.399 828 I HN 0.475 nan 8.210 nan 0.000 0.535 829 P HA 0.034 nan 4.420 nan 0.000 0.269 829 P C 0.704 178.001 177.300 -0.005 0.000 1.209 829 P CA -0.080 63.014 63.100 -0.010 0.000 0.776 829 P CB 0.557 32.246 31.700 -0.017 0.000 0.876 830 T N -3.028 111.523 114.554 -0.006 0.000 3.014 830 T HA -0.014 4.335 4.350 -0.001 0.000 0.250 830 T C 0.914 175.611 174.700 -0.004 0.000 1.060 830 T CA 0.407 62.505 62.100 -0.003 0.000 1.040 830 T CB -0.341 68.526 68.868 -0.002 0.000 0.971 830 T HN 0.353 nan 8.240 nan 0.000 0.497 831 D N 1.853 122.249 120.400 -0.007 0.000 2.214 831 D HA 0.029 4.668 4.640 -0.001 0.000 0.217 831 D C 0.766 177.062 176.300 -0.006 0.000 0.973 831 D CA 0.585 54.580 54.000 -0.007 0.000 0.880 831 D CB -0.537 40.257 40.800 -0.010 0.000 1.031 831 D HN 0.399 nan 8.370 nan 0.000 0.468 832 N N 0.044 118.739 118.700 -0.008 0.000 2.716 832 N HA 0.284 5.023 4.740 -0.001 0.000 0.253 832 N C -2.415 173.093 175.510 -0.005 0.000 1.170 832 N CA -1.920 51.127 53.050 -0.005 0.000 0.807 832 N CB 1.793 40.276 38.487 -0.007 0.000 1.183 832 N HN -0.268 nan 8.380 nan 0.000 0.524 833 P HA -0.021 nan 4.420 nan 0.000 0.220 833 P C 0.724 178.030 177.300 0.010 0.000 1.148 833 P CA 0.834 63.936 63.100 0.004 0.000 0.803 833 P CB 0.292 31.997 31.700 0.008 0.000 0.782 834 A N -0.517 122.310 122.820 0.013 0.000 2.235 834 A HA 0.174 4.494 4.320 -0.001 0.000 0.208 834 A C 2.068 179.670 177.584 0.030 0.000 1.172 834 A CA 1.201 53.253 52.037 0.025 0.000 0.786 834 A CB -1.276 17.739 19.000 0.024 0.000 0.804 834 A HN 0.290 nan 8.150 nan 0.000 0.479 835 G N -1.279 107.525 108.800 0.006 0.000 3.088 835 G HA2 0.135 4.094 3.960 -0.001 0.000 0.217 835 G HA3 0.135 4.094 3.960 -0.001 0.000 0.217 835 G C 0.594 175.460 174.900 -0.056 0.000 1.159 835 G CA -0.040 45.051 45.100 -0.016 0.000 0.760 835 G HN 0.565 nan 8.290 nan 0.000 0.550 836 Q N 1.417 121.197 119.800 -0.033 0.000 2.339 836 Q HA 0.125 4.464 4.340 -0.001 0.000 0.308 836 Q C 0.301 176.237 176.000 -0.107 0.000 1.097 836 Q CA 0.451 56.223 55.803 -0.051 0.000 1.007 836 Q CB 0.107 28.840 28.738 -0.009 0.000 1.051 836 Q HN 0.618 nan 8.270 nan 0.000 0.381 837 R N 3.228 123.626 120.500 -0.170 0.000 2.828 837 R HA 0.419 4.758 4.340 -0.001 0.000 0.280 837 R C -1.447 174.698 176.300 -0.257 0.000 1.020 837 R CA -0.884 55.056 56.100 -0.267 0.000 0.855 837 R CB 0.397 30.358 30.300 -0.566 0.000 1.278 837 R HN 0.502 nan 8.270 nan 0.000 0.495 838 I N -0.248 120.152 120.570 -0.284 0.000 2.545 838 I HA 0.535 4.704 4.170 -0.001 0.000 0.292 838 I C -0.786 175.060 176.117 -0.451 0.000 1.040 838 I CA -1.290 59.768 61.300 -0.403 0.000 1.068 838 I CB 1.703 39.380 38.000 -0.539 0.000 1.251 838 I HN 0.649 nan 8.210 nan 0.000 0.424 839 I N 5.888 126.191 120.570 -0.445 0.000 2.312 839 I HA 0.356 4.525 4.170 -0.001 0.000 0.290 839 I C -0.797 175.086 176.117 -0.390 0.000 1.008 839 I CA -0.337 60.783 61.300 -0.301 0.000 1.226 839 I CB 0.988 38.880 38.000 -0.181 0.000 1.371 839 I HN 0.349 nan 8.210 nan 0.000 0.468 840 F N 5.606 125.526 119.950 -0.051 0.000 2.408 840 F HA 0.474 5.000 4.527 -0.002 0.000 0.344 840 F C 0.299 176.088 175.800 -0.019 0.000 1.112 840 F CA -0.501 57.477 58.000 -0.035 0.000 1.096 840 F CB 1.344 40.328 39.000 -0.028 0.000 1.129 840 F HN 0.382 nan 8.300 nan 0.000 0.486 841 C N 2.145 121.527 119.300 0.138 0.000 2.609 841 C HA 0.650 5.109 4.460 -0.001 0.000 0.313 841 C C 1.203 176.232 174.990 0.065 0.000 1.175 841 C CA -0.394 58.671 59.018 0.079 0.000 1.434 841 C CB 0.847 28.607 27.740 0.033 0.000 2.005 841 C HN 1.022 nan 8.230 nan 0.000 0.471 842 G N 2.706 111.536 108.800 0.050 0.000 2.920 842 G HA2 0.431 4.390 3.960 -0.001 0.000 0.208 842 G HA3 0.431 4.390 3.960 -0.001 0.000 0.208 842 G C 0.612 175.525 174.900 0.022 0.000 1.159 842 G CA 0.801 45.921 45.100 0.033 0.000 0.784 842 G HN 1.153 nan 8.290 nan 0.000 0.535 843 G N -0.399 108.414 108.800 0.021 0.000 3.108 843 G HA2 0.462 4.421 3.960 -0.001 0.000 0.268 843 G HA3 0.462 4.421 3.960 -0.001 0.000 0.268 843 G C 0.727 175.635 174.900 0.013 0.000 1.361 843 G CA 0.082 45.191 45.100 0.015 0.000 1.047 843 G HN 0.046 nan 8.290 nan 0.000 0.540 844 E N -0.722 119.484 120.200 0.011 0.000 2.299 844 E HA 0.139 4.488 4.350 -0.001 0.000 0.193 844 E C 0.919 177.525 176.600 0.010 0.000 0.998 844 E CA 0.621 57.028 56.400 0.012 0.000 0.851 844 E CB 0.253 29.960 29.700 0.012 0.000 0.795 844 E HN 0.489 nan 8.360 nan 0.000 0.492 845 G N 0.549 109.353 108.800 0.006 0.000 2.630 845 G HA2 0.321 4.280 3.960 -0.001 0.000 0.296 845 G HA3 0.321 4.280 3.960 -0.001 0.000 0.296 845 G C 0.653 175.550 174.900 -0.004 0.000 1.285 845 G CA 0.084 45.185 45.100 0.002 0.000 0.958 845 G HN 0.032 nan 8.290 nan 0.000 0.479 846 T N -2.316 112.232 114.554 -0.011 0.000 2.915 846 T HA 0.002 4.351 4.350 -0.001 0.000 0.269 846 T C 1.573 176.267 174.700 -0.009 0.000 1.071 846 T CA 1.173 63.261 62.100 -0.020 0.000 1.132 846 T CB -0.161 68.690 68.868 -0.029 0.000 0.878 846 T HN 0.582 nan 8.240 nan 0.000 0.479 847 S N 1.806 117.504 115.700 -0.002 0.000 2.533 847 S HA 0.213 4.682 4.470 -0.001 0.000 0.282 847 S C 1.506 176.112 174.600 0.011 0.000 1.304 847 S CA -0.083 58.120 58.200 0.005 0.000 1.063 847 S CB 0.526 63.729 63.200 0.005 0.000 0.881 847 S HN 0.598 nan 8.310 nan 0.000 0.493 848 S N 2.989 118.700 115.700 0.018 0.000 2.555 848 S HA -0.092 4.378 4.470 -0.001 0.000 0.230 848 S C 1.783 176.396 174.600 0.021 0.000 0.978 848 S CA 0.916 59.131 58.200 0.025 0.000 0.934 848 S CB -0.988 62.235 63.200 0.039 0.000 0.766 848 S HN 0.945 nan 8.310 nan 0.000 0.533 849 T N 0.226 114.789 114.554 0.016 0.000 2.929 849 T HA -0.133 4.216 4.350 -0.001 0.000 0.271 849 T C 1.889 176.595 174.700 0.009 0.000 1.085 849 T CA 1.636 63.743 62.100 0.012 0.000 1.125 849 T CB -1.268 67.606 68.868 0.010 0.000 0.874 849 T HN 0.671 nan 8.240 nan 0.000 0.494 850 T N -1.852 112.708 114.554 0.010 0.000 3.067 850 T HA 0.506 4.855 4.350 -0.001 0.000 0.261 850 T C 0.970 175.675 174.700 0.010 0.000 1.110 850 T CA 0.284 62.389 62.100 0.008 0.000 1.113 850 T CB -0.139 68.734 68.868 0.008 0.000 0.917 850 T HN 0.857 nan 8.240 nan 0.000 0.499 851 G N 0.015 108.822 108.800 0.013 0.000 2.325 851 G HA2 0.519 4.478 3.960 -0.001 0.000 0.297 851 G HA3 0.519 4.478 3.960 -0.001 0.000 0.297 851 G C -1.016 173.896 174.900 0.021 0.000 1.448 851 G CA -0.599 44.509 45.100 0.014 0.000 0.838 851 G HN 0.508 nan 8.290 nan 0.000 0.579 852 A N -0.247 122.584 122.820 0.018 0.000 2.531 852 A HA 0.586 4.905 4.320 -0.001 0.000 0.236 852 A C 0.388 178.010 177.584 0.062 0.000 1.062 852 A CA 0.593 52.649 52.037 0.031 0.000 0.760 852 A CB 0.194 19.201 19.000 0.012 0.000 0.995 852 A HN 0.677 nan 8.150 nan 0.000 0.501 853 Q N 0.377 120.231 119.800 0.091 0.000 2.397 853 Q HA 0.666 5.005 4.340 -0.001 0.000 0.275 853 Q C -1.436 174.652 176.000 0.146 0.000 1.090 853 Q CA -0.441 55.428 55.803 0.110 0.000 0.809 853 Q CB 2.555 31.342 28.738 0.082 0.000 1.362 853 Q HN 0.713 nan 8.270 nan 0.000 0.431 854 I N 1.267 121.934 120.570 0.162 0.000 2.466 854 I HA 0.376 4.545 4.170 -0.001 0.000 0.289 854 I C -0.776 175.439 176.117 0.164 0.000 1.026 854 I CA -0.511 60.862 61.300 0.121 0.000 1.078 854 I CB 2.337 40.396 38.000 0.099 0.000 1.249 854 I HN 0.473 nan 8.210 nan 0.000 0.429 855 T N 7.053 121.649 114.554 0.070 0.000 2.786 855 T HA 0.538 4.888 4.350 -0.001 0.000 0.283 855 T C -0.293 174.465 174.700 0.097 0.000 0.992 855 T CA -0.483 61.647 62.100 0.050 0.000 0.954 855 T CB 0.984 69.853 68.868 0.001 0.000 0.934 855 T HN 0.264 nan 8.240 nan 0.000 0.440 856 L N 3.980 125.254 121.223 0.085 0.000 2.265 856 L HA 0.478 4.817 4.340 -0.001 0.000 0.289 856 L C -0.594 176.321 176.870 0.075 0.000 1.033 856 L CA -0.998 53.921 54.840 0.130 0.000 0.814 856 L CB 0.442 42.595 42.059 0.157 0.000 1.203 856 L HN 0.639 nan 8.230 nan 0.000 0.423 857 Y N 1.221 121.513 120.300 -0.013 0.000 2.304 857 Y HA 0.399 4.948 4.550 -0.001 0.000 0.328 857 Y C 1.248 177.150 175.900 0.003 0.000 1.123 857 Y CA -0.498 57.595 58.100 -0.011 0.000 1.218 857 Y CB 1.482 39.933 38.460 -0.014 0.000 1.207 857 Y HN 0.649 nan 8.280 nan 0.000 0.495 858 G N 0.569 109.436 108.800 0.111 0.000 2.606 858 G HA2 0.311 4.270 3.960 -0.001 0.000 0.252 858 G HA3 0.311 4.270 3.960 -0.001 0.000 0.252 858 G C 0.768 175.725 174.900 0.094 0.000 1.206 858 G CA -0.088 45.062 45.100 0.084 0.000 0.861 858 G HN 0.877 nan 8.290 nan 0.000 0.561 859 A N 0.453 123.316 122.820 0.071 0.000 2.019 859 A HA -0.086 4.233 4.320 -0.001 0.000 0.219 859 A C 2.111 179.725 177.584 0.050 0.000 1.164 859 A CA 1.346 53.416 52.037 0.056 0.000 0.644 859 A CB -0.276 18.751 19.000 0.045 0.000 0.805 859 A HN 0.631 nan 8.150 nan 0.000 0.449 860 N N 0.500 119.229 118.700 0.048 0.000 2.459 860 N HA -0.076 4.664 4.740 -0.001 0.000 0.181 860 N C 0.431 175.969 175.510 0.047 0.000 1.046 860 N CA 0.118 53.191 53.050 0.040 0.000 0.904 860 N CB -0.279 38.226 38.487 0.031 0.000 0.964 860 N HN 0.474 nan 8.380 nan 0.000 0.444 861 N N 1.394 120.137 118.700 0.072 0.000 2.441 861 N HA -0.021 4.718 4.740 -0.001 0.000 0.251 861 N C 0.842 176.403 175.510 0.085 0.000 1.242 861 N CA 0.388 53.499 53.050 0.102 0.000 0.898 861 N CB 1.041 39.654 38.487 0.209 0.000 1.100 861 N HN -0.031 nan 8.380 nan 0.000 0.443 862 T N 1.025 115.625 114.554 0.077 0.000 2.653 862 T HA -0.164 4.185 4.350 -0.001 0.000 0.268 862 T C -0.041 174.678 174.700 0.032 0.000 1.035 862 T CA 1.259 63.388 62.100 0.048 0.000 1.154 862 T CB -0.152 68.743 68.868 0.045 0.000 0.862 862 T HN 0.537 nan 8.240 nan 0.000 0.441 863 D N 2.342 122.766 120.400 0.041 0.000 2.563 863 D HA 0.223 4.862 4.640 -0.001 0.000 0.222 863 D C -0.296 175.986 176.300 -0.030 0.000 1.145 863 D CA 0.062 54.027 54.000 -0.059 0.000 1.001 863 D CB 0.375 41.036 40.800 -0.232 0.000 1.049 863 D HN 0.124 nan 8.370 nan 0.000 0.515 864 S N 1.751 117.451 115.700 0.000 0.000 2.509 864 S HA -0.051 4.418 4.470 -0.001 0.000 0.287 864 S C 0.953 175.563 174.600 0.018 0.000 1.248 864 S CA -0.111 58.107 58.200 0.029 0.000 1.089 864 S CB -0.028 63.185 63.200 0.020 0.000 0.900 864 S HN 0.444 nan 8.310 nan 0.000 0.496 865 R N 0.839 121.378 120.500 0.065 0.000 3.758 865 R HA -0.187 4.152 4.340 -0.001 0.000 0.299 865 R C 0.236 176.547 176.300 0.018 0.000 1.182 865 R CA 0.823 56.961 56.100 0.063 0.000 0.809 865 R CB -1.737 28.586 30.300 0.039 0.000 1.249 865 R HN 0.762 nan 8.270 nan 0.000 0.497 866 R N 1.470 121.931 120.500 -0.065 0.000 2.643 866 R HA 0.326 4.665 4.340 -0.001 0.000 0.270 866 R C -0.092 176.162 176.300 -0.076 0.000 1.061 866 R CA 0.168 56.131 56.100 -0.229 0.000 1.107 866 R CB 0.514 30.394 30.300 -0.699 0.000 0.999 866 R HN 0.200 nan 8.270 nan 0.000 0.460 867 I N 4.066 124.582 120.570 -0.090 0.000 2.436 867 I HA 0.262 4.431 4.170 -0.001 0.000 0.289 867 I C -0.831 175.165 176.117 -0.201 0.000 1.010 867 I CA -1.125 60.094 61.300 -0.134 0.000 1.098 867 I CB 2.200 40.037 38.000 -0.272 0.000 1.266 867 I HN 0.307 nan 8.210 nan 0.000 0.434 868 V N 6.708 126.540 119.914 -0.137 0.000 2.384 868 V HA 0.344 4.463 4.120 -0.001 0.000 0.287 868 V C -0.953 175.070 176.094 -0.119 0.000 1.020 868 V CA -0.599 61.673 62.300 -0.046 0.000 0.850 868 V CB 1.101 32.985 31.823 0.101 0.000 0.987 868 V HN 0.422 nan 8.190 nan 0.000 0.436 869 Y N 3.481 123.855 120.300 0.123 0.000 2.353 869 Y HA 0.520 5.068 4.550 -0.002 0.000 0.340 869 Y C 0.452 176.521 175.900 0.283 0.000 0.972 869 Y CA -0.553 57.650 58.100 0.171 0.000 1.157 869 Y CB 1.101 39.602 38.460 0.068 0.000 1.157 869 Y HN 0.597 nan 8.280 nan 0.000 0.495 870 N N 2.516 121.452 118.700 0.394 0.000 2.623 870 N HA 0.539 5.278 4.740 -0.001 0.000 0.256 870 N C -0.798 174.805 175.510 0.154 0.000 1.045 870 N CA -0.235 52.986 53.050 0.285 0.000 0.863 870 N CB 1.091 39.681 38.487 0.171 0.000 1.182 870 N HN 0.870 nan 8.380 nan 0.000 0.523 871 G N 0.706 109.501 108.800 -0.009 0.000 2.694 871 G HA2 0.250 4.209 3.960 -0.001 0.000 0.290 871 G HA3 0.250 4.209 3.960 -0.001 0.000 0.290 871 G C -0.331 174.431 174.900 -0.230 0.000 1.386 871 G CA -0.518 44.470 45.100 -0.188 0.000 0.872 871 G HN 0.334 nan 8.290 nan 0.000 0.475 872 D N -0.317 119.991 120.400 -0.153 0.000 2.349 872 D HA 0.134 4.773 4.640 -0.001 0.000 0.215 872 D C 0.356 176.581 176.300 -0.126 0.000 1.016 872 D CA 0.917 54.856 54.000 -0.101 0.000 0.870 872 D CB 0.705 41.474 40.800 -0.051 0.000 0.917 872 D HN 0.491 nan 8.370 nan 0.000 0.524 873 E N -0.366 119.706 120.200 -0.215 0.000 2.343 873 E HA 0.245 4.594 4.350 -0.001 0.000 0.278 873 E C -0.869 175.542 176.600 -0.316 0.000 0.910 873 E CA -0.630 55.664 56.400 -0.176 0.000 0.757 873 E CB 2.073 31.716 29.700 -0.096 0.000 1.218 873 E HN 0.040 nan 8.360 nan 0.000 0.435 874 H N 2.856 121.933 119.070 0.012 0.000 2.792 874 H HA 0.341 4.896 4.556 -0.001 0.000 0.298 874 H C -0.858 174.442 175.328 -0.047 0.000 1.042 874 H CA -0.381 55.649 56.048 -0.030 0.000 1.300 874 H CB 0.568 30.381 29.762 0.085 0.000 1.431 874 H HN 0.289 nan 8.280 nan 0.000 0.496 875 L N 4.214 125.385 121.223 -0.088 0.000 2.316 875 L HA 0.335 4.674 4.340 -0.001 0.000 0.280 875 L C -0.489 176.262 176.870 -0.199 0.000 1.006 875 L CA -0.634 54.170 54.840 -0.061 0.000 0.836 875 L CB 0.915 42.944 42.059 -0.050 0.000 1.221 875 L HN 0.332 nan 8.230 nan 0.000 0.418 876 F N 2.414 122.366 119.950 0.003 0.000 2.350 876 F HA 0.333 4.860 4.527 -0.001 0.000 0.365 876 F C 0.607 176.401 175.800 -0.010 0.000 1.122 876 F CA -0.110 57.884 58.000 -0.010 0.000 1.139 876 F CB 1.087 40.070 39.000 -0.029 0.000 1.220 876 F HN 0.492 nan 8.300 nan 0.000 0.499 877 Q N 1.607 121.462 119.800 0.091 0.000 2.235 877 Q HA 0.395 4.734 4.340 -0.001 0.000 0.256 877 Q C 0.557 176.595 176.000 0.063 0.000 0.951 877 Q CA -0.131 55.705 55.803 0.055 0.000 0.890 877 Q CB 1.448 30.192 28.738 0.010 0.000 1.279 877 Q HN 0.813 nan 8.270 nan 0.000 0.444 878 S N -0.588 115.139 115.700 0.045 0.000 2.691 878 S HA -0.228 4.241 4.470 -0.001 0.000 0.262 878 S C -0.500 174.122 174.600 0.036 0.000 1.284 878 S CA 0.966 59.187 58.200 0.034 0.000 1.372 878 S CB -1.465 61.752 63.200 0.028 0.000 1.693 878 S HN 0.998 nan 8.310 nan 0.000 0.647 879 A N 0.343 123.193 122.820 0.050 0.000 2.612 879 A HA 0.596 4.915 4.320 -0.001 0.000 0.293 879 A C -1.481 176.119 177.584 0.027 0.000 1.075 879 A CA -0.719 51.339 52.037 0.035 0.000 0.680 879 A CB 0.771 19.793 19.000 0.037 0.000 1.279 879 A HN 0.078 nan 8.150 nan 0.000 0.411 880 D N 0.546 120.944 120.400 -0.004 0.000 2.449 880 D HA 0.260 4.899 4.640 -0.001 0.000 0.236 880 D C 0.054 176.312 176.300 -0.071 0.000 1.149 880 D CA 0.412 54.390 54.000 -0.036 0.000 0.878 880 D CB 0.774 41.549 40.800 -0.042 0.000 1.198 880 D HN 0.199 nan 8.370 nan 0.000 0.446 881 V N 3.194 123.021 119.914 -0.145 0.000 2.372 881 V HA 0.128 4.247 4.120 -0.001 0.000 0.261 881 V C 0.634 176.619 176.094 -0.182 0.000 1.055 881 V CA 0.005 62.145 62.300 -0.267 0.000 0.930 881 V CB 0.051 31.587 31.823 -0.478 0.000 1.031 881 V HN 0.283 nan 8.190 nan 0.000 0.479 882 K N 5.374 125.697 120.400 -0.130 0.000 2.328 882 K HA 0.646 4.965 4.320 -0.001 0.000 0.246 882 K C -2.377 174.196 176.600 -0.045 0.000 0.955 882 K CA -1.621 54.620 56.287 -0.078 0.000 0.817 882 K CB 2.095 34.561 32.500 -0.056 0.000 1.208 882 K HN 0.474 nan 8.250 nan 0.000 0.432 883 P HA 0.043 nan 4.420 nan 0.000 0.277 883 P C -0.086 177.253 177.300 0.065 0.000 1.240 883 P CA -0.265 62.853 63.100 0.030 0.000 0.798 883 P CB 0.557 32.271 31.700 0.023 0.000 0.979 884 Y N 1.442 121.736 120.300 -0.011 0.000 2.242 884 Y HA -0.081 4.468 4.550 -0.002 0.000 0.291 884 Y C 0.880 176.777 175.900 -0.004 0.000 1.137 884 Y CA 1.280 59.377 58.100 -0.004 0.000 1.181 884 Y CB 0.317 38.780 38.460 0.006 0.000 0.989 884 Y HN 0.306 nan 8.280 nan 0.000 0.527 885 N N 0.368 119.170 118.700 0.170 0.000 2.483 885 N HA 0.087 4.826 4.740 -0.001 0.000 0.285 885 N C -1.547 173.979 175.510 0.026 0.000 1.210 885 N CA -0.455 52.647 53.050 0.086 0.000 0.931 885 N CB 1.162 39.732 38.487 0.139 0.000 1.220 885 N HN 0.048 nan 8.380 nan 0.000 0.542 886 D N 0.236 120.641 120.400 0.009 0.000 2.329 886 D HA 0.168 4.807 4.640 -0.001 0.000 0.232 886 D C -0.230 176.074 176.300 0.006 0.000 1.088 886 D CA -0.011 53.987 54.000 -0.003 0.000 0.835 886 D CB 0.063 40.854 40.800 -0.015 0.000 1.078 886 D HN 0.432 nan 8.370 nan 0.000 0.495 887 N N 3.054 121.756 118.700 0.004 0.000 2.738 887 N HA -0.170 4.569 4.740 -0.001 0.000 0.249 887 N C -0.393 175.124 175.510 0.012 0.000 1.047 887 N CA 0.993 54.047 53.050 0.006 0.000 0.707 887 N CB -0.979 37.508 38.487 0.002 0.000 0.937 887 N HN 0.240 nan 8.380 nan 0.000 0.545 888 V N -2.165 117.760 119.914 0.019 0.000 3.159 888 V HA 0.218 4.337 4.120 -0.001 0.000 0.234 888 V C 1.039 177.147 176.094 0.023 0.000 1.313 888 V CA 1.246 63.560 62.300 0.024 0.000 1.271 888 V CB 0.706 32.550 31.823 0.036 0.000 1.053 888 V HN 0.592 nan 8.190 nan 0.000 0.476 889 T N -0.584 113.986 114.554 0.027 0.000 2.940 889 T HA 0.862 5.211 4.350 -0.001 0.000 0.288 889 T C -0.395 174.318 174.700 0.022 0.000 1.033 889 T CA -0.104 62.012 62.100 0.026 0.000 1.033 889 T CB 2.415 71.303 68.868 0.034 0.000 1.079 889 T HN 0.411 nan 8.240 nan 0.000 0.496 890 A N 1.646 124.482 122.820 0.026 0.000 2.322 890 A HA 0.780 5.099 4.320 -0.001 0.000 0.327 890 A C -0.409 177.207 177.584 0.054 0.000 1.134 890 A CA -1.111 50.945 52.037 0.032 0.000 0.831 890 A CB 0.774 19.791 19.000 0.029 0.000 1.288 890 A HN 0.904 nan 8.150 nan 0.000 0.472 891 L N 2.033 123.301 121.223 0.074 0.000 2.278 891 L HA 0.530 4.869 4.340 -0.001 0.000 0.287 891 L C 1.090 178.086 176.870 0.209 0.000 1.072 891 L CA 0.870 55.809 54.840 0.166 0.000 0.819 891 L CB 0.298 42.428 42.059 0.118 0.000 1.176 891 L HN 1.319 nan 8.230 nan 0.000 0.435 892 G N 2.785 111.701 108.800 0.193 0.000 2.750 892 G HA2 0.112 4.071 3.960 -0.001 0.000 0.228 892 G HA3 0.112 4.071 3.960 -0.001 0.000 0.228 892 G C -0.222 174.666 174.900 -0.019 0.000 1.367 892 G CA -0.458 44.634 45.100 -0.012 0.000 0.871 892 G HN 1.079 nan 8.290 nan 0.000 0.560 893 G N -2.491 106.275 108.800 -0.057 0.000 2.608 893 G HA2 0.756 4.715 3.960 -0.001 0.000 0.291 893 G HA3 0.756 4.715 3.960 -0.001 0.000 0.291 893 G C -1.936 172.941 174.900 -0.039 0.000 1.425 893 G CA 0.362 45.440 45.100 -0.036 0.000 0.787 893 G HN 0.607 nan 8.290 nan 0.000 0.484 894 P HA 0.005 nan 4.420 nan 0.000 0.218 894 P C 1.403 178.685 177.300 -0.030 0.000 1.148 894 P CA 1.349 64.436 63.100 -0.022 0.000 0.822 894 P CB 0.338 32.028 31.700 -0.016 0.000 0.784 895 S N -1.767 113.909 115.700 -0.039 0.000 2.554 895 S HA 0.176 4.645 4.470 -0.001 0.000 0.226 895 S C 0.482 175.043 174.600 -0.066 0.000 0.980 895 S CA -0.201 57.973 58.200 -0.043 0.000 0.939 895 S CB -0.342 62.837 63.200 -0.036 0.000 0.832 895 S HN 0.181 nan 8.310 nan 0.000 0.486 896 N N 2.078 120.722 118.700 -0.093 0.000 2.711 896 N HA 0.191 4.930 4.740 -0.001 0.000 0.263 896 N C -1.148 174.227 175.510 -0.224 0.000 1.667 896 N CA -0.165 52.790 53.050 -0.159 0.000 0.785 896 N CB 1.059 39.443 38.487 -0.172 0.000 1.231 896 N HN 0.146 nan 8.380 nan 0.000 0.503 897 R N 0.381 120.786 120.500 -0.158 0.000 2.357 897 R HA 0.331 4.670 4.340 -0.001 0.000 0.296 897 R C -0.206 176.001 176.300 -0.154 0.000 1.052 897 R CA -0.272 55.759 56.100 -0.115 0.000 0.988 897 R CB 0.818 31.100 30.300 -0.029 0.000 1.025 897 R HN 0.101 nan 8.270 nan 0.000 0.469 898 F N 0.793 120.748 119.950 0.008 0.000 2.429 898 F HA -0.000 4.526 4.527 -0.002 0.000 0.348 898 F C 2.093 177.901 175.800 0.014 0.000 1.109 898 F CA 0.081 58.092 58.000 0.018 0.000 1.232 898 F CB 0.990 39.999 39.000 0.014 0.000 1.157 898 F HN 0.637 nan 8.300 nan 0.000 0.564 899 T N -2.039 112.650 114.554 0.225 0.000 2.746 899 T HA -0.045 4.305 4.350 -0.001 0.000 0.267 899 T C 0.805 175.553 174.700 0.079 0.000 1.039 899 T CA 1.580 63.754 62.100 0.123 0.000 1.142 899 T CB -0.207 68.734 68.868 0.121 0.000 0.866 899 T HN 0.640 nan 8.240 nan 0.000 0.444 900 T N -0.584 114.017 114.554 0.078 0.000 2.658 900 T HA 0.573 4.922 4.350 -0.001 0.000 0.305 900 T C -2.317 172.348 174.700 -0.059 0.000 1.551 900 T CA -0.280 61.795 62.100 -0.042 0.000 0.985 900 T CB 1.141 69.892 68.868 -0.195 0.000 1.731 900 T HN 0.642 nan 8.240 nan 0.000 0.486 901 A N 1.396 124.126 122.820 -0.151 0.000 2.343 901 A HA 0.738 5.057 4.320 -0.001 0.000 0.308 901 A C -1.782 175.695 177.584 -0.179 0.000 1.092 901 A CA -0.452 51.513 52.037 -0.120 0.000 0.751 901 A CB 0.639 19.576 19.000 -0.104 0.000 1.203 901 A HN 0.709 nan 8.150 nan 0.000 0.452 902 Y N 2.564 122.835 120.300 -0.048 0.000 2.425 902 Y HA 0.522 5.071 4.550 -0.001 0.000 0.347 902 Y C 0.061 175.939 175.900 -0.037 0.000 0.976 902 Y CA 0.163 58.245 58.100 -0.031 0.000 1.190 902 Y CB 0.805 39.252 38.460 -0.022 0.000 1.136 902 Y HN 0.499 nan 8.280 nan 0.000 0.517 903 L N 1.450 122.712 121.223 0.067 0.000 2.370 903 L HA 0.519 4.858 4.340 -0.001 0.000 0.266 903 L C 1.181 178.070 176.870 0.030 0.000 1.002 903 L CA -0.778 54.079 54.840 0.029 0.000 0.818 903 L CB 2.162 44.215 42.059 -0.011 0.000 1.325 903 L HN 0.743 nan 8.230 nan 0.000 0.418 904 G N 0.426 109.238 108.800 0.021 0.000 2.511 904 G HA2 0.015 3.974 3.960 -0.001 0.000 0.217 904 G HA3 0.015 3.974 3.960 -0.001 0.000 0.217 904 G C 0.453 175.357 174.900 0.006 0.000 1.133 904 G CA 0.835 45.944 45.100 0.016 0.000 0.792 904 G HN 0.609 nan 8.290 nan 0.000 0.539 905 S N -0.982 114.718 115.700 -0.001 0.000 2.638 905 S HA 0.460 4.930 4.470 -0.001 0.000 0.274 905 S C -0.873 173.719 174.600 -0.012 0.000 1.157 905 S CA -1.043 57.153 58.200 -0.006 0.000 0.826 905 S CB 1.483 64.679 63.200 -0.006 0.000 1.139 905 S HN -0.001 nan 8.310 nan 0.000 0.474 906 N N 1.921 120.613 118.700 -0.014 0.000 2.374 906 N HA 0.289 5.028 4.740 -0.001 0.000 0.241 906 N C -2.484 173.015 175.510 -0.019 0.000 1.262 906 N CA -0.552 52.488 53.050 -0.018 0.000 0.880 906 N CB -0.545 37.932 38.487 -0.016 0.000 1.105 906 N HN 0.489 nan 8.380 nan 0.000 0.438 907 P HA 0.074 nan 4.420 nan 0.000 0.266 907 P C -0.281 177.008 177.300 -0.019 0.000 1.193 907 P CA 0.162 63.248 63.100 -0.023 0.000 0.770 907 P CB 0.518 32.204 31.700 -0.023 0.000 0.836 908 I N 3.391 123.950 120.570 -0.019 0.000 2.297 908 I HA 0.205 4.374 4.170 -0.001 0.000 0.291 908 I C -0.211 175.897 176.117 -0.016 0.000 1.033 908 I CA -0.347 60.943 61.300 -0.016 0.000 1.253 908 I CB 0.550 38.540 38.000 -0.017 0.000 1.396 908 I HN 0.016 nan 8.210 nan 0.000 0.476 909 V N 5.640 125.546 119.914 -0.013 0.000 2.525 909 V HA 0.516 4.635 4.120 -0.001 0.000 0.299 909 V C 0.304 176.392 176.094 -0.010 0.000 1.034 909 V CA -0.540 61.754 62.300 -0.011 0.000 0.863 909 V CB 1.968 33.785 31.823 -0.011 0.000 0.999 909 V HN 0.862 nan 8.190 nan 0.000 0.423 910 T N 0.000 114.549 114.554 -0.009 0.000 3.816 910 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 910 T CA 0.000 62.094 62.100 -0.010 0.000 1.349 910 T CB 0.000 68.863 68.868 -0.008 0.000 0.612 910 T HN 0.000 nan 8.240 nan 0.000 0.658