REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1v0f_1_C DATA FIRST_RESID 245 DATA SEQUENCE SAKGDGVTDD TAALTSALND TPVGQKINGN GKTYKVTSLP DISRFINTRF DATA SEQUENCE VYERIPGQPL YYASEEFVQG ELFKITDTPY YNAWPQDKAF VYENVIYAPY DATA SEQUENCE MGSDRHGVSR LHVSWVKSGD DGQTWSTPEW LTDLHPDYPT VNYHCMSMGV DATA SEQUENCE CRNRLFAMIE TRTLAKNALT NCALWDRPMS RSLHLTGGIT KAANQRYATI DATA SEQUENCE HVPDHGLFVG DFVNFSNSAV TGVSGDMTVA TVIDKDNFTV LTPNQQTSDL DATA SEQUENCE NNAGKNWHMG TSFHKSPWRK TDLGLIPSVT EVHSFATIDN NGFAMGYHQG DATA SEQUENCE DVAPREVGLF YFPDAFNSPS NYVRRQIPSE YEPDASEPCI KYYDGVLYLI DATA SEQUENCE TRGTRGDRLG SSLHRSRDIG QTWESLRFPH NVHHTTLPFA KVGDDLIMFG DATA SEQUENCE SERAENEWEA GAPDDRYKAS YPRTFYARLN VNNWNADDIE WVNITDQIYQ DATA SEQUENCE GGIVNSGVGV GSVVVKDNYI YYMFGGEDHF NPWTYGDNSA KDPFKSDGHP DATA SEQUENCE SDLYCYKMKI GPDNRVSRDF RYGAVPNRAV PVFFDTNGVR TVPAPMEFTG DATA SEQUENCE DLGLGHVTIR ASTSSNIRSE VLMEGEYGFI GKSIPTDNPA GQRIIFCGGE DATA SEQUENCE GTSSTTGAQI TLYGANNTDS RRIVYNGDEH LFQSADVKPY NDNVTALGGP DATA SEQUENCE SNRFTTAYLG SNPIVT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 245 S HA 0.000 nan 4.470 nan 0.000 0.327 245 S C 0.000 174.662 174.600 0.103 0.000 1.055 245 S CA 0.000 58.247 58.200 0.078 0.000 1.107 245 S CB 0.000 63.244 63.200 0.073 0.000 0.593 246 A N 1.788 124.700 122.820 0.153 0.000 2.388 246 A HA 0.623 4.943 4.320 0.001 0.000 0.257 246 A C 1.030 178.731 177.584 0.194 0.000 1.095 246 A CA -0.502 51.667 52.037 0.219 0.000 0.791 246 A CB 0.231 19.445 19.000 0.356 0.000 1.029 246 A HN 0.751 nan 8.150 nan 0.000 0.489 247 K N 1.707 122.184 120.400 0.129 0.000 2.166 247 K HA 0.075 4.396 4.320 0.001 0.000 0.201 247 K C 1.240 177.793 176.600 -0.078 0.000 1.052 247 K CA 0.938 57.247 56.287 0.038 0.000 0.969 247 K CB -0.444 32.066 32.500 0.016 0.000 0.761 247 K HN 1.599 nan 8.250 nan 0.000 0.459 248 G N 4.118 112.781 108.800 -0.229 0.000 2.371 248 G HA2 -0.237 3.723 3.960 0.001 0.000 0.299 248 G HA3 -0.237 3.723 3.960 0.001 0.000 0.299 248 G C -0.047 174.606 174.900 -0.413 0.000 1.014 248 G CA 0.892 45.499 45.100 -0.822 0.000 1.097 248 G HN 0.472 nan 8.290 nan 0.000 0.512 249 D N -1.544 118.728 120.400 -0.212 0.000 2.431 249 D HA 0.373 5.014 4.640 0.001 0.000 0.213 249 D C 1.761 178.016 176.300 -0.076 0.000 1.130 249 D CA 0.368 54.297 54.000 -0.118 0.000 0.834 249 D CB -0.315 40.447 40.800 -0.062 0.000 0.985 249 D HN 1.419 nan 8.370 nan 0.000 0.504 250 G N 0.216 108.967 108.800 -0.082 0.000 2.168 250 G HA2 -0.329 3.632 3.960 0.001 0.000 0.263 250 G HA3 -0.329 3.632 3.960 0.001 0.000 0.263 250 G C 0.946 175.859 174.900 0.022 0.000 0.977 250 G CA 1.381 46.481 45.100 -0.001 0.000 0.659 250 G HN 1.054 nan 8.290 nan 0.000 0.533 251 V N -4.115 115.802 119.914 0.006 0.000 3.229 251 V HA 0.433 4.554 4.120 0.001 0.000 0.239 251 V C 1.057 177.160 176.094 0.015 0.000 1.390 251 V CA 1.352 63.659 62.300 0.012 0.000 1.231 251 V CB 0.210 32.038 31.823 0.009 0.000 1.025 251 V HN 0.341 nan 8.190 nan 0.000 0.461 252 T N 3.271 117.833 114.554 0.013 0.000 2.814 252 T HA 0.256 4.606 4.350 0.001 0.000 0.297 252 T C -0.372 174.353 174.700 0.041 0.000 0.956 252 T CA 0.519 62.633 62.100 0.023 0.000 1.123 252 T CB 0.745 69.625 68.868 0.020 0.000 0.902 252 T HN 0.587 nan 8.240 nan 0.000 0.528 253 D N 2.292 122.716 120.400 0.039 0.000 2.389 253 D HA -0.004 4.637 4.640 0.001 0.000 0.263 253 D C 0.350 176.688 176.300 0.064 0.000 1.255 253 D CA -0.097 53.932 54.000 0.048 0.000 0.914 253 D CB 0.432 41.252 40.800 0.033 0.000 1.116 253 D HN 0.355 nan 8.370 nan 0.000 0.502 254 D N 2.663 123.120 120.400 0.095 0.000 2.369 254 D HA -0.012 4.629 4.640 0.001 0.000 0.211 254 D C 1.426 177.775 176.300 0.081 0.000 1.077 254 D CA 0.160 54.235 54.000 0.125 0.000 0.842 254 D CB 0.480 41.428 40.800 0.247 0.000 0.947 254 D HN 0.424 nan 8.370 nan 0.000 0.509 255 T N 1.097 115.674 114.554 0.037 0.000 2.565 255 T HA -0.265 4.085 4.350 0.001 0.000 0.265 255 T C 2.064 176.764 174.700 0.001 0.000 1.082 255 T CA 2.071 64.166 62.100 -0.009 0.000 1.173 255 T CB -0.192 68.662 68.868 -0.024 0.000 0.864 255 T HN 0.252 nan 8.240 nan 0.000 0.425 256 A N 1.415 124.243 122.820 0.013 0.000 1.883 256 A HA 0.094 4.415 4.320 0.001 0.000 0.217 256 A C 2.691 180.292 177.584 0.028 0.000 1.186 256 A CA 2.190 54.235 52.037 0.014 0.000 0.624 256 A CB -1.280 17.729 19.000 0.015 0.000 0.822 256 A HN 0.561 nan 8.150 nan 0.000 0.444 257 A N -0.749 122.099 122.820 0.047 0.000 1.883 257 A HA -0.069 4.251 4.320 0.001 0.000 0.217 257 A C 2.028 179.653 177.584 0.068 0.000 1.186 257 A CA 1.852 53.927 52.037 0.062 0.000 0.624 257 A CB -0.565 18.487 19.000 0.087 0.000 0.822 257 A HN 0.402 nan 8.150 nan 0.000 0.444 258 L N -0.446 120.822 121.223 0.076 0.000 2.046 258 L HA -0.102 4.238 4.340 0.001 0.000 0.208 258 L C 2.713 179.631 176.870 0.081 0.000 1.077 258 L CA 2.316 57.217 54.840 0.103 0.000 0.747 258 L CB -1.572 40.530 42.059 0.072 0.000 0.896 258 L HN 0.369 nan 8.230 nan 0.000 0.432 259 T N -1.451 113.122 114.554 0.031 0.000 2.708 259 T HA -0.186 4.164 4.350 0.001 0.000 0.266 259 T C 2.220 176.924 174.700 0.007 0.000 1.037 259 T CA 1.670 63.774 62.100 0.008 0.000 1.146 259 T CB -0.164 68.695 68.868 -0.014 0.000 0.865 259 T HN 0.248 nan 8.240 nan 0.000 0.435 260 S N 0.561 116.268 115.700 0.013 0.000 2.365 260 S HA -0.180 4.290 4.470 0.001 0.000 0.225 260 S C 2.392 176.995 174.600 0.006 0.000 1.039 260 S CA 1.426 59.631 58.200 0.009 0.000 1.033 260 S CB -0.565 62.645 63.200 0.017 0.000 0.887 260 S HN 0.576 nan 8.310 nan 0.000 0.447 261 A N 1.137 123.968 122.820 0.019 0.000 1.877 261 A HA -0.045 4.275 4.320 0.001 0.000 0.216 261 A C 2.147 179.710 177.584 -0.033 0.000 1.186 261 A CA 1.494 53.533 52.037 0.004 0.000 0.620 261 A CB -0.849 18.169 19.000 0.029 0.000 0.822 261 A HN 0.529 nan 8.150 nan 0.000 0.443 262 L N -0.442 120.761 121.223 -0.034 0.000 2.013 262 L HA -0.279 4.061 4.340 0.001 0.000 0.212 262 L C 2.318 179.153 176.870 -0.059 0.000 1.073 262 L CA 2.002 56.798 54.840 -0.073 0.000 0.753 262 L CB -0.764 41.268 42.059 -0.045 0.000 0.890 262 L HN 0.520 nan 8.230 nan 0.000 0.432 263 N N -0.601 118.077 118.700 -0.036 0.000 2.309 263 N HA -0.155 4.585 4.740 0.001 0.000 0.182 263 N C 0.835 176.327 175.510 -0.031 0.000 1.018 263 N CA 0.883 53.914 53.050 -0.032 0.000 0.876 263 N CB 0.055 38.529 38.487 -0.022 0.000 0.972 263 N HN 0.318 nan 8.380 nan 0.000 0.434 264 D N -0.219 120.164 120.400 -0.029 0.000 2.339 264 D HA 0.006 4.647 4.640 0.001 0.000 0.217 264 D C 0.484 176.764 176.300 -0.033 0.000 1.050 264 D CA 0.573 54.558 54.000 -0.025 0.000 0.856 264 D CB 0.240 41.031 40.800 -0.015 0.000 0.922 264 D HN 0.287 nan 8.370 nan 0.000 0.518 265 T N -1.766 112.758 114.554 -0.049 0.000 2.912 265 T HA 0.630 4.980 4.350 0.001 0.000 0.288 265 T C -2.867 171.796 174.700 -0.061 0.000 1.030 265 T CA -2.108 59.957 62.100 -0.057 0.000 1.020 265 T CB 2.239 71.060 68.868 -0.079 0.000 1.056 265 T HN -0.331 nan 8.240 nan 0.000 0.480 266 P HA 0.168 nan 4.420 nan 0.000 0.271 266 P C 1.494 178.755 177.300 -0.065 0.000 1.218 266 P CA -0.682 62.388 63.100 -0.050 0.000 0.780 266 P CB 0.575 32.251 31.700 -0.040 0.000 0.901 267 V N 0.879 120.758 119.914 -0.059 0.000 2.594 267 V HA -0.103 4.017 4.120 0.001 0.000 0.253 267 V C 1.756 177.810 176.094 -0.066 0.000 1.069 267 V CA 2.238 64.498 62.300 -0.066 0.000 1.082 267 V CB -1.713 30.080 31.823 -0.051 0.000 0.680 267 V HN 0.633 nan 8.190 nan 0.000 0.469 268 G N -0.379 108.389 108.800 -0.053 0.000 2.623 268 G HA2 -0.050 3.910 3.960 0.001 0.000 0.214 268 G HA3 -0.050 3.910 3.960 0.001 0.000 0.214 268 G C 0.830 175.699 174.900 -0.051 0.000 1.138 268 G CA 0.372 45.445 45.100 -0.045 0.000 0.794 268 G HN 0.635 nan 8.290 nan 0.000 0.535 269 Q N 1.617 121.378 119.800 -0.065 0.000 2.281 269 Q HA 0.179 4.519 4.340 0.001 0.000 0.267 269 Q C -0.180 175.761 176.000 -0.098 0.000 1.053 269 Q CA -0.116 55.644 55.803 -0.071 0.000 0.905 269 Q CB 0.471 29.163 28.738 -0.077 0.000 1.195 269 Q HN -0.080 nan 8.270 nan 0.000 0.398 270 K N 5.489 125.846 120.400 -0.071 0.000 2.363 270 K HA 0.149 4.470 4.320 0.001 0.000 0.289 270 K C -0.299 176.246 176.600 -0.091 0.000 1.063 270 K CA 0.061 56.305 56.287 -0.072 0.000 0.967 270 K CB 0.023 32.510 32.500 -0.021 0.000 0.987 270 K HN 0.690 nan 8.250 nan 0.000 0.473 271 I N 2.974 123.430 120.570 -0.190 0.000 2.436 271 I HA -0.030 4.141 4.170 0.001 0.000 0.289 271 I C 0.767 176.879 176.117 -0.008 0.000 1.083 271 I CA -0.356 60.833 61.300 -0.185 0.000 1.372 271 I CB 0.140 37.843 38.000 -0.494 0.000 1.408 271 I HN 0.324 nan 8.210 nan 0.000 0.516 272 N N 5.420 124.145 118.700 0.042 0.000 2.408 272 N HA 0.173 4.914 4.740 0.001 0.000 0.257 272 N C 0.757 176.353 175.510 0.143 0.000 1.064 272 N CA -0.039 53.069 53.050 0.096 0.000 0.952 272 N CB 1.719 40.247 38.487 0.069 0.000 1.093 272 N HN 0.745 nan 8.380 nan 0.000 0.490 273 G N 2.136 111.048 108.800 0.187 0.000 3.042 273 G HA2 -0.067 3.894 3.960 0.001 0.000 0.212 273 G HA3 -0.067 3.894 3.960 0.001 0.000 0.212 273 G C 0.303 175.391 174.900 0.313 0.000 1.166 273 G CA -0.336 44.903 45.100 0.233 0.000 0.767 273 G HN 0.762 nan 8.290 nan 0.000 0.546 274 N N -0.278 118.546 118.700 0.205 0.000 2.725 274 N HA -0.207 4.533 4.740 0.001 0.000 0.249 274 N C 1.482 177.082 175.510 0.150 0.000 1.103 274 N CA 1.520 54.662 53.050 0.152 0.000 0.707 274 N CB -1.438 37.128 38.487 0.133 0.000 1.043 274 N HN 1.030 nan 8.380 nan 0.000 0.553 275 G N -1.219 107.706 108.800 0.209 0.000 2.155 275 G HA2 -0.373 3.588 3.960 0.001 0.000 0.257 275 G HA3 -0.373 3.588 3.960 0.001 0.000 0.257 275 G C 0.160 175.259 174.900 0.332 0.000 0.983 275 G CA 1.021 46.250 45.100 0.215 0.000 0.676 275 G HN 0.551 nan 8.290 nan 0.000 0.528 276 K N 0.110 120.674 120.400 0.275 0.000 2.090 276 K HA 0.545 4.866 4.320 0.001 0.000 0.250 276 K C -0.065 176.531 176.600 -0.007 0.000 1.004 276 K CA -0.149 56.172 56.287 0.057 0.000 0.919 276 K CB 0.835 33.222 32.500 -0.189 0.000 1.045 276 K HN 0.097 nan 8.250 nan 0.000 0.471 277 T N 1.905 116.335 114.554 -0.208 0.000 2.771 277 T HA 0.339 4.689 4.350 0.001 0.000 0.281 277 T C -0.997 173.538 174.700 -0.276 0.000 0.982 277 T CA -0.512 61.506 62.100 -0.137 0.000 0.978 277 T CB 0.132 68.992 68.868 -0.014 0.000 0.930 277 T HN 0.276 nan 8.240 nan 0.000 0.447 278 Y N 1.986 122.270 120.300 -0.026 0.000 2.328 278 Y HA 0.394 4.945 4.550 0.001 0.000 0.333 278 Y C 0.638 176.615 175.900 0.127 0.000 0.958 278 Y CA -1.124 57.015 58.100 0.064 0.000 1.167 278 Y CB 1.209 39.724 38.460 0.092 0.000 1.151 278 Y HN 0.350 nan 8.280 nan 0.000 0.470 279 K N 4.239 124.747 120.400 0.179 0.000 2.368 279 K HA 0.445 4.765 4.320 0.001 0.000 0.282 279 K C -0.732 175.946 176.600 0.129 0.000 1.035 279 K CA -0.059 56.306 56.287 0.130 0.000 0.973 279 K CB 0.565 33.105 32.500 0.068 0.000 0.957 279 K HN 0.654 nan 8.250 nan 0.000 0.474 280 V N 0.604 120.582 119.914 0.106 0.000 3.130 280 V HA 0.418 4.539 4.120 0.001 0.000 0.310 280 V C 0.508 176.659 176.094 0.094 0.000 1.158 280 V CA -0.554 61.768 62.300 0.037 0.000 1.029 280 V CB 1.637 33.386 31.823 -0.123 0.000 1.057 280 V HN 0.807 nan 8.190 nan 0.000 0.436 281 T N -1.072 113.510 114.554 0.047 0.000 3.037 281 T HA 0.335 4.685 4.350 0.001 0.000 0.251 281 T C 0.668 175.435 174.700 0.112 0.000 1.079 281 T CA 0.492 62.655 62.100 0.105 0.000 1.067 281 T CB -0.052 68.841 68.868 0.042 0.000 0.948 281 T HN 0.766 nan 8.240 nan 0.000 0.496 282 S N 0.369 115.988 115.700 -0.135 0.000 2.536 282 S HA 0.564 5.034 4.470 0.001 0.000 0.271 282 S C -0.892 173.312 174.600 -0.660 0.000 1.134 282 S CA -0.914 57.037 58.200 -0.414 0.000 0.897 282 S CB 1.609 64.663 63.200 -0.242 0.000 1.094 282 S HN 0.275 nan 8.310 nan 0.000 0.473 283 L N 4.259 124.897 121.223 -0.976 0.000 2.410 283 L HA 0.303 4.643 4.340 0.001 0.000 0.273 283 L C -1.410 175.096 176.870 -0.607 0.000 1.152 283 L CA -0.999 53.315 54.840 -0.877 0.000 0.855 283 L CB -0.119 41.396 42.059 -0.908 0.000 1.129 283 L HN 0.466 nan 8.230 nan 0.000 0.463 284 P HA 0.062 nan 4.420 nan 0.000 0.312 284 P C -0.793 176.361 177.300 -0.244 0.000 1.308 284 P CA -0.554 62.320 63.100 -0.377 0.000 0.743 284 P CB 0.486 31.974 31.700 -0.353 0.000 1.364 285 D N -0.158 120.210 120.400 -0.053 0.000 2.441 285 D HA 0.060 4.700 4.640 0.001 0.000 0.243 285 D C 1.305 177.709 176.300 0.172 0.000 1.257 285 D CA 0.076 54.084 54.000 0.014 0.000 1.027 285 D CB -0.804 39.999 40.800 0.006 0.000 1.084 285 D HN 0.165 nan 8.370 nan 0.000 0.514 286 I N 1.558 122.188 120.570 0.101 0.000 2.361 286 I HA -0.305 3.866 4.170 0.001 0.000 0.251 286 I C 2.336 178.636 176.117 0.304 0.000 1.133 286 I CA 0.966 62.431 61.300 0.274 0.000 1.413 286 I CB -0.176 37.917 38.000 0.155 0.000 1.073 286 I HN 0.346 nan 8.210 nan 0.000 0.424 287 S N 0.821 116.609 115.700 0.147 0.000 2.465 287 S HA -0.162 4.309 4.470 0.001 0.000 0.241 287 S C 1.906 176.546 174.600 0.067 0.000 1.000 287 S CA 0.830 59.084 58.200 0.090 0.000 0.964 287 S CB -0.420 62.798 63.200 0.030 0.000 0.763 287 S HN 0.469 nan 8.310 nan 0.000 0.512 288 R N -0.512 120.017 120.500 0.048 0.000 2.317 288 R HA 0.337 4.678 4.340 0.001 0.000 0.208 288 R C -0.747 175.384 176.300 -0.281 0.000 0.914 288 R CA -0.018 55.993 56.100 -0.148 0.000 1.060 288 R CB 0.088 30.218 30.300 -0.284 0.000 1.015 288 R HN 0.400 nan 8.270 nan 0.000 0.498 289 F N 1.109 121.092 119.950 0.055 0.000 2.458 289 F HA 0.431 4.958 4.527 0.001 0.000 0.330 289 F C 0.463 176.291 175.800 0.046 0.000 1.082 289 F CA -1.385 56.647 58.000 0.052 0.000 0.995 289 F CB 1.151 40.207 39.000 0.094 0.000 1.170 289 F HN -0.179 nan 8.300 nan 0.000 0.478 290 I N -0.381 120.314 120.570 0.208 0.000 2.740 290 I HA 0.578 4.748 4.170 0.001 0.000 0.303 290 I C 0.047 176.276 176.117 0.188 0.000 1.044 290 I CA -1.200 60.197 61.300 0.163 0.000 1.064 290 I CB 1.736 39.794 38.000 0.097 0.000 1.249 290 I HN 0.639 nan 8.210 nan 0.000 0.433 291 N N 1.890 120.711 118.700 0.201 0.000 2.725 291 N HA -0.174 4.566 4.740 0.001 0.000 0.251 291 N C -1.167 174.556 175.510 0.355 0.000 1.031 291 N CA 1.237 54.436 53.050 0.249 0.000 0.720 291 N CB -0.823 37.748 38.487 0.140 0.000 0.930 291 N HN 0.968 nan 8.380 nan 0.000 0.543 292 T N 0.678 115.401 114.554 0.282 0.000 2.952 292 T HA 0.460 4.811 4.350 0.001 0.000 0.305 292 T C -0.331 174.021 174.700 -0.580 0.000 1.064 292 T CA -0.676 61.381 62.100 -0.071 0.000 1.008 292 T CB 1.993 70.672 68.868 -0.314 0.000 1.078 292 T HN 0.296 nan 8.240 nan 0.000 0.459 293 R N 1.544 121.569 120.500 -0.791 0.000 2.637 293 R HA 0.696 5.037 4.340 0.001 0.000 0.291 293 R C -1.497 174.379 176.300 -0.706 0.000 0.963 293 R CA -0.642 54.878 56.100 -0.967 0.000 0.901 293 R CB 0.859 30.480 30.300 -1.133 0.000 1.160 293 R HN 0.435 nan 8.270 nan 0.000 0.457 294 F N 2.939 122.862 119.950 -0.046 0.000 2.469 294 F HA 0.374 4.901 4.527 0.001 0.000 0.332 294 F C -0.153 175.723 175.800 0.127 0.000 1.103 294 F CA -0.950 57.071 58.000 0.036 0.000 0.979 294 F CB 1.864 40.832 39.000 -0.054 0.000 1.137 294 F HN 0.062 nan 8.300 nan 0.000 0.463 295 V N 2.505 122.556 119.914 0.229 0.000 2.394 295 V HA 0.493 4.613 4.120 0.001 0.000 0.282 295 V C -1.103 175.075 176.094 0.139 0.000 1.031 295 V CA -1.105 61.172 62.300 -0.038 0.000 0.881 295 V CB 1.056 32.776 31.823 -0.173 0.000 0.982 295 V HN 0.782 nan 8.190 nan 0.000 0.451 296 Y N 1.941 122.233 120.300 -0.012 0.000 2.479 296 Y HA 0.493 5.043 4.550 0.001 0.000 0.338 296 Y C -0.312 175.590 175.900 0.003 0.000 1.055 296 Y CA -0.651 57.445 58.100 -0.007 0.000 1.023 296 Y CB 2.188 40.605 38.460 -0.073 0.000 1.287 296 Y HN 0.721 nan 8.280 nan 0.000 0.447 297 E N 6.436 126.311 120.200 -0.541 0.000 2.136 297 E HA 0.182 4.532 4.350 0.001 0.000 0.246 297 E C 0.726 176.796 176.600 -0.885 0.000 1.017 297 E CA -0.340 55.733 56.400 -0.546 0.000 0.883 297 E CB 0.846 30.380 29.700 -0.277 0.000 1.199 297 E HN 0.720 nan 8.360 nan 0.000 0.447 298 R N 2.709 122.572 120.500 -1.061 0.000 2.080 298 R HA -0.082 4.258 4.340 0.001 0.000 0.236 298 R C 0.562 176.692 176.300 -0.283 0.000 1.137 298 R CA 1.122 56.819 56.100 -0.670 0.000 0.943 298 R CB 0.283 30.454 30.300 -0.216 0.000 0.846 298 R HN 0.321 nan 8.270 nan 0.000 0.431 299 I N 2.708 123.151 120.570 -0.212 0.000 2.321 299 I HA 0.296 4.467 4.170 0.001 0.000 0.291 299 I C -2.264 173.758 176.117 -0.159 0.000 0.998 299 I CA -3.111 58.109 61.300 -0.133 0.000 1.227 299 I CB 1.060 39.009 38.000 -0.085 0.000 1.368 299 I HN -0.023 nan 8.210 nan 0.000 0.466 300 P HA 0.135 nan 4.420 nan 0.000 0.262 300 P C 0.904 178.141 177.300 -0.105 0.000 1.182 300 P CA 0.742 63.777 63.100 -0.109 0.000 0.761 300 P CB 0.579 32.238 31.700 -0.069 0.000 0.795 301 G N 2.451 111.186 108.800 -0.110 0.000 2.175 301 G HA2 -0.259 3.702 3.960 0.001 0.000 0.244 301 G HA3 -0.259 3.702 3.960 0.001 0.000 0.244 301 G C 0.160 174.928 174.900 -0.220 0.000 0.982 301 G CA -0.297 44.741 45.100 -0.103 0.000 0.641 301 G HN 0.587 nan 8.290 nan 0.000 0.527 302 Q N 0.989 120.629 119.800 -0.268 0.000 2.965 302 Q HA 0.262 4.603 4.340 0.001 0.000 0.288 302 Q C -2.665 173.196 176.000 -0.232 0.000 0.974 302 Q CA -1.693 53.885 55.803 -0.375 0.000 0.849 302 Q CB 2.193 30.715 28.738 -0.360 0.000 1.280 302 Q HN 0.349 nan 8.270 nan 0.000 0.441 303 P HA 0.045 nan 4.420 nan 0.000 0.267 303 P C -0.582 176.598 177.300 -0.200 0.000 1.205 303 P CA 0.422 63.391 63.100 -0.218 0.000 0.765 303 P CB 0.961 32.522 31.700 -0.231 0.000 0.828 304 L N 3.467 124.565 121.223 -0.209 0.000 2.301 304 L HA 0.532 4.872 4.340 0.001 0.000 0.264 304 L C -0.287 176.407 176.870 -0.293 0.000 1.016 304 L CA -1.142 53.608 54.840 -0.150 0.000 0.821 304 L CB 1.370 43.367 42.059 -0.104 0.000 1.346 304 L HN 0.283 nan 8.230 nan 0.000 0.429 305 Y N -0.451 119.741 120.300 -0.180 0.000 2.509 305 Y HA 0.584 5.135 4.550 0.001 0.000 0.341 305 Y C -1.078 174.584 175.900 -0.396 0.000 1.038 305 Y CA -0.861 57.162 58.100 -0.128 0.000 1.089 305 Y CB 1.542 39.939 38.460 -0.106 0.000 1.241 305 Y HN 0.195 nan 8.280 nan 0.000 0.468 306 Y N 0.390 120.775 120.300 0.142 0.000 2.354 306 Y HA 0.675 5.226 4.550 0.001 0.000 0.330 306 Y C -0.319 175.552 175.900 -0.049 0.000 1.011 306 Y CA -1.301 56.848 58.100 0.082 0.000 1.099 306 Y CB 1.788 40.344 38.460 0.161 0.000 1.179 306 Y HN 0.705 nan 8.280 nan 0.000 0.442 307 A N 2.348 125.204 122.820 0.060 0.000 2.274 307 A HA 0.604 4.925 4.320 0.001 0.000 0.309 307 A C 0.257 177.887 177.584 0.076 0.000 1.226 307 A CA -0.535 51.483 52.037 -0.031 0.000 0.853 307 A CB 0.303 19.366 19.000 0.105 0.000 1.146 307 A HN 0.758 nan 8.150 nan 0.000 0.518 308 S N 2.470 118.188 115.700 0.030 0.000 2.608 308 S HA 0.256 4.726 4.470 0.001 0.000 0.261 308 S C 0.162 174.868 174.600 0.176 0.000 1.314 308 S CA -0.450 57.832 58.200 0.138 0.000 0.992 308 S CB 0.322 63.604 63.200 0.137 0.000 0.935 308 S HN 0.668 nan 8.310 nan 0.000 0.564 309 E N 0.938 121.236 120.200 0.163 0.000 2.502 309 E HA 0.031 4.382 4.350 0.001 0.000 0.261 309 E C 0.687 177.380 176.600 0.155 0.000 0.974 309 E CA 0.813 57.298 56.400 0.142 0.000 0.936 309 E CB -0.076 29.686 29.700 0.104 0.000 0.926 309 E HN 0.839 nan 8.360 nan 0.000 0.459 310 E N 0.336 120.622 120.200 0.143 0.000 3.916 310 E HA -0.311 4.040 4.350 0.001 0.000 0.331 310 E C 0.724 177.407 176.600 0.138 0.000 0.729 310 E CA 0.723 57.192 56.400 0.116 0.000 1.222 310 E CB -1.459 28.292 29.700 0.086 0.000 1.633 310 E HN 0.549 nan 8.360 nan 0.000 0.437 311 F N 1.025 121.008 119.950 0.055 0.000 2.146 311 F HA -0.058 4.470 4.527 0.001 0.000 0.298 311 F C 1.231 177.063 175.800 0.053 0.000 1.096 311 F CA 1.429 59.455 58.000 0.044 0.000 1.275 311 F CB 0.422 39.440 39.000 0.029 0.000 1.008 311 F HN -0.035 nan 8.300 nan 0.000 0.480 312 V N -0.812 119.205 119.914 0.173 0.000 2.769 312 V HA 0.419 4.540 4.120 0.001 0.000 0.312 312 V C -0.610 175.531 176.094 0.079 0.000 1.058 312 V CA -0.959 61.383 62.300 0.070 0.000 0.952 312 V CB 1.507 33.406 31.823 0.127 0.000 1.019 312 V HN 0.107 nan 8.190 nan 0.000 0.445 313 Q N 2.110 121.934 119.800 0.040 0.000 2.423 313 Q HA 0.641 4.982 4.340 0.001 0.000 0.235 313 Q C 0.154 176.219 176.000 0.108 0.000 1.100 313 Q CA 0.205 56.044 55.803 0.060 0.000 0.908 313 Q CB 1.131 29.885 28.738 0.027 0.000 1.312 313 Q HN 1.145 nan 8.270 nan 0.000 0.497 314 G N 1.759 110.627 108.800 0.112 0.000 2.698 314 G HA2 0.493 4.453 3.960 0.001 0.000 0.293 314 G HA3 0.493 4.453 3.960 0.001 0.000 0.293 314 G C -1.843 172.941 174.900 -0.193 0.000 1.437 314 G CA -0.452 44.673 45.100 0.042 0.000 0.852 314 G HN 0.406 nan 8.290 nan 0.000 0.499 315 E N 0.206 120.069 120.200 -0.561 0.000 2.335 315 E HA 0.479 4.830 4.350 0.001 0.000 0.280 315 E C -1.742 174.474 176.600 -0.640 0.000 0.918 315 E CA -0.807 55.297 56.400 -0.493 0.000 0.765 315 E CB 2.546 32.054 29.700 -0.320 0.000 1.218 315 E HN 0.425 nan 8.360 nan 0.000 0.425 316 L N 4.447 125.409 121.223 -0.434 0.000 2.326 316 L HA 0.546 4.887 4.340 0.001 0.000 0.278 316 L C -1.568 175.145 176.870 -0.261 0.000 1.092 316 L CA 0.216 54.969 54.840 -0.145 0.000 0.810 316 L CB 0.458 42.565 42.059 0.080 0.000 1.153 316 L HN 0.505 nan 8.230 nan 0.000 0.439 317 F N 3.375 123.323 119.950 -0.002 0.000 2.546 317 F HA 0.487 5.014 4.527 0.001 0.000 0.320 317 F C -0.059 175.690 175.800 -0.085 0.000 1.076 317 F CA -0.804 57.172 58.000 -0.039 0.000 0.928 317 F CB 1.622 40.600 39.000 -0.036 0.000 1.189 317 F HN 0.337 nan 8.300 nan 0.000 0.465 318 K N 3.303 123.693 120.400 -0.016 0.000 2.211 318 K HA 0.482 4.803 4.320 0.001 0.000 0.275 318 K C 0.251 176.570 176.600 -0.469 0.000 1.024 318 K CA -0.320 55.710 56.287 -0.427 0.000 0.887 318 K CB 0.773 33.034 32.500 -0.398 0.000 1.084 318 K HN 0.821 nan 8.250 nan 0.000 0.463 319 I N 0.091 120.227 120.570 -0.722 0.000 4.288 319 I HA 0.189 4.360 4.170 0.001 0.000 0.331 319 I C 0.064 175.845 176.117 -0.560 0.000 1.322 319 I CA -0.380 60.425 61.300 -0.825 0.000 1.149 319 I CB 0.937 37.965 38.000 -1.619 0.000 1.112 319 I HN 0.524 nan 8.210 nan 0.000 0.403 320 T N -2.029 112.197 114.554 -0.545 0.000 2.916 320 T HA 0.597 4.948 4.350 0.001 0.000 0.292 320 T C -1.104 173.406 174.700 -0.315 0.000 1.064 320 T CA -0.449 61.437 62.100 -0.357 0.000 1.011 320 T CB 2.525 71.172 68.868 -0.369 0.000 1.152 320 T HN 0.114 nan 8.240 nan 0.000 0.510 321 D N 0.521 120.820 120.400 -0.168 0.000 2.752 321 D HA 0.352 4.992 4.640 0.001 0.000 0.242 321 D C -1.271 175.016 176.300 -0.021 0.000 1.295 321 D CA -0.019 53.914 54.000 -0.113 0.000 0.846 321 D CB 0.823 41.565 40.800 -0.098 0.000 1.454 321 D HN 0.654 nan 8.370 nan 0.000 0.535 322 T N 1.827 116.387 114.554 0.010 0.000 2.893 322 T HA 0.419 4.769 4.350 0.001 0.000 0.293 322 T C -2.005 172.743 174.700 0.081 0.000 1.027 322 T CA -1.420 60.748 62.100 0.113 0.000 0.988 322 T CB 2.362 71.364 68.868 0.223 0.000 1.043 322 T HN -0.077 nan 8.240 nan 0.000 0.461 323 P HA 0.041 nan 4.420 nan 0.000 0.230 323 P C -0.124 177.104 177.300 -0.120 0.000 1.158 323 P CA 0.572 63.604 63.100 -0.114 0.000 0.769 323 P CB -0.071 31.482 31.700 -0.244 0.000 0.807 324 Y N -1.622 118.739 120.300 0.102 0.000 2.426 324 Y HA 0.032 4.583 4.550 0.001 0.000 0.344 324 Y C 0.988 177.020 175.900 0.220 0.000 1.256 324 Y CA -0.487 57.732 58.100 0.198 0.000 1.451 324 Y CB -0.060 38.570 38.460 0.284 0.000 1.342 324 Y HN -0.120 nan 8.280 nan 0.000 0.600 325 Y N 3.237 123.719 120.300 0.303 0.000 2.674 325 Y HA 0.060 4.611 4.550 0.001 0.000 0.354 325 Y C -0.543 175.481 175.900 0.206 0.000 1.089 325 Y CA -0.499 57.698 58.100 0.163 0.000 1.444 325 Y CB -0.719 37.770 38.460 0.049 0.000 1.187 325 Y HN 0.467 nan 8.280 nan 0.000 0.523 326 N N 4.717 123.522 118.700 0.176 0.000 2.469 326 N HA 0.704 5.444 4.740 0.001 0.000 0.253 326 N C -0.952 174.493 175.510 -0.109 0.000 0.970 326 N CA -0.335 52.793 53.050 0.130 0.000 0.940 326 N CB 1.002 39.438 38.487 -0.085 0.000 1.128 326 N HN 0.630 nan 8.380 nan 0.000 0.503 327 A N 1.503 124.296 122.820 -0.044 0.000 2.493 327 A HA 0.508 4.829 4.320 0.001 0.000 0.300 327 A C -1.395 176.167 177.584 -0.037 0.000 1.152 327 A CA -0.747 51.010 52.037 -0.467 0.000 0.643 327 A CB 0.684 18.842 19.000 -1.405 0.000 1.316 327 A HN 0.701 nan 8.150 nan 0.000 0.469 328 W N -2.379 119.010 121.300 0.148 0.000 5.820 328 W HA -0.115 4.546 4.660 0.001 0.000 0.415 328 W C -2.263 174.354 176.519 0.163 0.000 1.627 328 W CA 0.242 57.670 57.345 0.139 0.000 0.991 328 W CB -2.242 27.260 29.460 0.070 0.000 2.842 328 W HN 0.553 nan 8.180 nan 0.000 1.416 329 P HA -0.179 nan 4.420 nan 0.000 0.220 329 P C 1.142 178.591 177.300 0.248 0.000 1.148 329 P CA 1.740 64.993 63.100 0.256 0.000 0.803 329 P CB 0.102 31.894 31.700 0.154 0.000 0.782 330 Q N 1.121 121.093 119.800 0.287 0.000 2.398 330 Q HA -0.077 4.264 4.340 0.001 0.000 0.329 330 Q C -0.512 175.553 176.000 0.108 0.000 1.079 330 Q CA 0.411 56.377 55.803 0.272 0.000 1.041 330 Q CB -0.325 28.704 28.738 0.486 0.000 1.084 330 Q HN -0.032 nan 8.270 nan 0.000 0.386 331 D N 2.906 123.235 120.400 -0.118 0.000 2.432 331 D HA 0.237 4.877 4.640 0.001 0.000 0.265 331 D C -0.555 175.788 176.300 0.073 0.000 1.160 331 D CA -0.558 53.427 54.000 -0.024 0.000 0.911 331 D CB 0.626 41.326 40.800 -0.165 0.000 1.052 331 D HN 0.659 nan 8.370 nan 0.000 0.508 332 K N 0.936 121.425 120.400 0.149 0.000 2.481 332 K HA 0.364 4.685 4.320 0.001 0.000 0.210 332 K C 0.561 177.331 176.600 0.283 0.000 1.161 332 K CA -0.419 55.980 56.287 0.187 0.000 1.023 332 K CB 1.292 33.906 32.500 0.191 0.000 0.971 332 K HN 0.314 nan 8.250 nan 0.000 0.577 333 A N 1.767 124.724 122.820 0.228 0.000 2.425 333 A HA 0.474 4.795 4.320 0.001 0.000 0.242 333 A C -0.154 177.587 177.584 0.263 0.000 1.077 333 A CA 0.217 52.353 52.037 0.166 0.000 0.781 333 A CB -0.269 18.806 19.000 0.125 0.000 1.020 333 A HN 0.291 nan 8.150 nan 0.000 0.494 334 F N -0.874 119.116 119.950 0.066 0.000 2.719 334 F HA 0.564 5.091 4.527 0.001 0.000 0.309 334 F C -0.896 174.951 175.800 0.079 0.000 1.138 334 F CA -1.163 56.863 58.000 0.043 0.000 0.943 334 F CB 1.036 40.000 39.000 -0.060 0.000 1.304 334 F HN 0.714 nan 8.300 nan 0.000 0.445 335 V N 1.733 121.796 119.914 0.248 0.000 2.513 335 V HA 0.777 4.898 4.120 0.001 0.000 0.299 335 V C -2.245 174.075 176.094 0.377 0.000 1.035 335 V CA -0.650 61.764 62.300 0.191 0.000 0.889 335 V CB 1.659 33.516 31.823 0.056 0.000 0.988 335 V HN 1.047 nan 8.190 nan 0.000 0.440 336 Y N 3.752 124.179 120.300 0.211 0.000 2.361 336 Y HA 0.435 4.986 4.550 0.001 0.000 0.328 336 Y C 0.276 176.241 175.900 0.108 0.000 1.044 336 Y CA -0.587 57.614 58.100 0.168 0.000 1.085 336 Y CB 1.562 40.121 38.460 0.164 0.000 1.194 336 Y HN 0.967 nan 8.280 nan 0.000 0.438 337 E N 5.171 125.123 120.200 -0.413 0.000 2.160 337 E HA -0.401 3.949 4.350 0.001 0.000 0.180 337 E C 0.003 176.533 176.600 -0.117 0.000 1.452 337 E CA 1.359 57.577 56.400 -0.304 0.000 0.683 337 E CB -1.128 28.329 29.700 -0.405 0.000 1.072 337 E HN 0.981 nan 8.360 nan 0.000 0.332 338 N N -2.860 115.788 118.700 -0.087 0.000 2.955 338 N HA -0.209 4.532 4.740 0.001 0.000 0.230 338 N C -0.300 175.122 175.510 -0.147 0.000 0.891 338 N CA 1.225 54.221 53.050 -0.091 0.000 1.002 338 N CB -0.520 37.915 38.487 -0.086 0.000 1.063 338 N HN 0.202 nan 8.380 nan 0.000 0.601 339 V N 1.722 121.561 119.914 -0.126 0.000 2.439 339 V HA 0.392 4.512 4.120 0.001 0.000 0.282 339 V C 0.545 176.439 176.094 -0.334 0.000 1.039 339 V CA -0.495 61.628 62.300 -0.295 0.000 0.913 339 V CB 1.391 33.009 31.823 -0.342 0.000 0.983 339 V HN 0.104 nan 8.190 nan 0.000 0.460 340 I N 5.273 125.514 120.570 -0.549 0.000 2.342 340 I HA 0.331 4.501 4.170 0.001 0.000 0.291 340 I C -0.864 174.855 176.117 -0.663 0.000 1.010 340 I CA -0.293 60.693 61.300 -0.523 0.000 1.308 340 I CB 0.612 38.230 38.000 -0.637 0.000 1.400 340 I HN 0.489 nan 8.210 nan 0.000 0.488 341 Y N 4.344 124.222 120.300 -0.704 0.000 2.341 341 Y HA 0.570 5.121 4.550 0.001 0.000 0.337 341 Y C 0.360 175.980 175.900 -0.468 0.000 1.014 341 Y CA -0.772 56.805 58.100 -0.871 0.000 1.111 341 Y CB 1.944 39.314 38.460 -1.817 0.000 1.194 341 Y HN 0.585 nan 8.280 nan 0.000 0.462 342 A N 5.809 128.621 122.820 -0.014 0.000 2.978 342 A HA 0.553 4.874 4.320 0.001 0.000 0.341 342 A C -2.931 174.866 177.584 0.355 0.000 1.105 342 A CA -1.710 50.419 52.037 0.153 0.000 0.819 342 A CB -0.200 18.875 19.000 0.124 0.000 1.080 342 A HN 0.398 nan 8.150 nan 0.000 0.476 343 P HA 0.488 nan 4.420 nan 0.000 0.274 343 P C -0.662 176.895 177.300 0.427 0.000 1.237 343 P CA 0.208 63.593 63.100 0.474 0.000 0.793 343 P CB 0.352 32.322 31.700 0.450 0.000 0.977 344 Y N -1.943 118.482 120.300 0.209 0.000 2.871 344 Y HA 0.670 5.220 4.550 0.001 0.000 0.331 344 Y C -1.562 174.439 175.900 0.169 0.000 1.378 344 Y CA -1.388 56.822 58.100 0.183 0.000 1.079 344 Y CB 0.772 39.322 38.460 0.151 0.000 1.441 344 Y HN 0.065 nan 8.280 nan 0.000 0.446 345 M N 1.716 121.509 119.600 0.321 0.000 2.243 345 M HA 0.564 5.045 4.480 0.001 0.000 0.324 345 M C -0.359 176.205 176.300 0.441 0.000 1.031 345 M CA -0.749 54.652 55.300 0.168 0.000 0.949 345 M CB 2.223 34.876 32.600 0.087 0.000 1.615 345 M HN 0.926 nan 8.290 nan 0.000 0.430 346 G N 1.779 110.690 108.800 0.185 0.000 2.468 346 G HA2 0.563 4.524 3.960 0.001 0.000 0.320 346 G HA3 0.563 4.524 3.960 0.001 0.000 0.320 346 G C -0.287 174.688 174.900 0.125 0.000 1.137 346 G CA -0.287 45.002 45.100 0.316 0.000 0.984 346 G HN 0.767 nan 8.290 nan 0.000 0.462 347 S N 0.684 116.576 115.700 0.320 0.000 2.998 347 S HA 0.607 5.078 4.470 0.001 0.000 0.307 347 S C 0.313 175.106 174.600 0.323 0.000 1.063 347 S CA 0.071 58.397 58.200 0.210 0.000 0.895 347 S CB 1.913 65.168 63.200 0.091 0.000 1.362 347 S HN 0.410 nan 8.310 nan 0.000 0.657 348 D N -0.477 120.006 120.400 0.138 0.000 2.433 348 D HA 0.253 4.893 4.640 0.001 0.000 0.211 348 D C 0.522 176.679 176.300 -0.239 0.000 1.114 348 D CA -0.255 53.708 54.000 -0.061 0.000 0.837 348 D CB -0.007 40.843 40.800 0.083 0.000 0.984 348 D HN 0.801 nan 8.370 nan 0.000 0.505 349 R N -1.769 118.622 120.500 -0.181 0.000 2.832 349 R HA 0.182 4.523 4.340 0.001 0.000 0.283 349 R C -1.513 174.683 176.300 -0.174 0.000 0.998 349 R CA -0.749 55.204 56.100 -0.245 0.000 0.843 349 R CB -0.346 29.906 30.300 -0.080 0.000 1.332 349 R HN -0.192 nan 8.270 nan 0.000 0.490 350 H N -0.095 118.829 119.070 -0.243 0.000 3.356 350 H HA 0.508 5.065 4.556 0.001 0.000 0.260 350 H C 0.326 175.546 175.328 -0.179 0.000 1.570 350 H CA 1.533 57.512 56.048 -0.115 0.000 1.547 350 H CB 0.208 29.988 29.762 0.031 0.000 1.774 350 H HN 0.840 nan 8.280 nan 0.000 0.542 351 G N -0.454 108.219 108.800 -0.212 0.000 2.315 351 G HA2 0.140 4.101 3.960 0.001 0.000 0.294 351 G HA3 0.140 4.101 3.960 0.001 0.000 0.294 351 G C 0.199 174.993 174.900 -0.176 0.000 1.300 351 G CA -0.228 44.770 45.100 -0.170 0.000 0.843 351 G HN 0.431 nan 8.290 nan 0.000 0.527 352 V N -2.002 117.837 119.914 -0.125 0.000 3.647 352 V HA 0.450 4.570 4.120 0.001 0.000 0.279 352 V C 1.295 177.368 176.094 -0.036 0.000 1.314 352 V CA 1.040 63.285 62.300 -0.093 0.000 1.125 352 V CB 0.075 31.843 31.823 -0.093 0.000 0.907 352 V HN 1.177 nan 8.190 nan 0.000 0.434 353 S N 1.425 117.112 115.700 -0.021 0.000 2.544 353 S HA 0.242 4.713 4.470 0.001 0.000 0.290 353 S C 1.119 175.784 174.600 0.107 0.000 1.276 353 S CA 0.441 58.682 58.200 0.068 0.000 1.075 353 S CB -0.441 62.774 63.200 0.026 0.000 0.849 353 S HN 0.724 nan 8.310 nan 0.000 0.494 354 R N -0.252 120.367 120.500 0.198 0.000 3.946 354 R HA -0.195 4.145 4.340 0.001 0.000 0.329 354 R C -0.259 175.917 176.300 -0.206 0.000 1.209 354 R CA 0.801 56.913 56.100 0.020 0.000 0.909 354 R CB -1.791 28.629 30.300 0.200 0.000 1.355 354 R HN 0.537 nan 8.270 nan 0.000 0.539 355 L N 1.562 122.637 121.223 -0.247 0.000 2.349 355 L HA 0.309 4.649 4.340 0.001 0.000 0.275 355 L C -0.120 176.372 176.870 -0.631 0.000 1.115 355 L CA 0.051 54.702 54.840 -0.314 0.000 0.820 355 L CB 0.676 42.629 42.059 -0.176 0.000 1.135 355 L HN 0.044 nan 8.230 nan 0.000 0.445 356 H N 4.290 123.092 119.070 -0.446 0.000 2.547 356 H HA 0.361 4.917 4.556 0.001 0.000 0.342 356 H C -0.699 174.421 175.328 -0.347 0.000 1.048 356 H CA -0.815 54.925 56.048 -0.515 0.000 1.204 356 H CB 2.029 31.149 29.762 -1.069 0.000 1.493 356 H HN 0.474 nan 8.280 nan 0.000 0.511 357 V N 3.533 123.339 119.914 -0.181 0.000 2.529 357 V HA 0.048 4.168 4.120 0.001 0.000 0.292 357 V C 0.469 176.439 176.094 -0.207 0.000 1.028 357 V CA 0.541 62.716 62.300 -0.208 0.000 1.074 357 V CB 0.559 32.244 31.823 -0.229 0.000 0.958 357 V HN 0.756 nan 8.190 nan 0.000 0.481 358 S N 3.498 118.990 115.700 -0.346 0.000 2.697 358 S HA 0.871 5.342 4.470 0.001 0.000 0.289 358 S C -1.195 173.257 174.600 -0.247 0.000 1.149 358 S CA -0.682 57.294 58.200 -0.372 0.000 0.850 358 S CB 2.242 65.116 63.200 -0.544 0.000 1.151 358 S HN 0.888 nan 8.310 nan 0.000 0.491 359 W N 0.115 121.399 121.300 -0.027 0.000 3.074 359 W HA 0.757 5.418 4.660 0.001 0.000 0.332 359 W C -1.726 174.958 176.519 0.275 0.000 1.253 359 W CA -1.437 56.014 57.345 0.177 0.000 1.180 359 W CB -0.336 29.239 29.460 0.192 0.000 1.445 359 W HN 0.640 nan 8.180 nan 0.000 0.573 360 V N 0.014 120.292 119.914 0.605 0.000 2.864 360 V HA 0.885 5.006 4.120 0.001 0.000 0.314 360 V C -0.581 175.612 176.094 0.165 0.000 1.073 360 V CA -1.607 60.916 62.300 0.371 0.000 0.956 360 V CB 1.548 33.551 31.823 0.300 0.000 1.023 360 V HN 0.685 nan 8.190 nan 0.000 0.435 361 K N 1.514 121.893 120.400 -0.035 0.000 2.443 361 K HA 0.771 5.092 4.320 0.001 0.000 0.251 361 K C -0.878 175.353 176.600 -0.615 0.000 0.972 361 K CA -0.621 55.381 56.287 -0.474 0.000 0.833 361 K CB 2.145 34.049 32.500 -0.993 0.000 1.317 361 K HN 0.731 nan 8.250 nan 0.000 0.441 362 S N -0.108 114.938 115.700 -1.090 0.000 2.478 362 S HA 0.472 4.942 4.470 0.001 0.000 0.312 362 S C 0.304 174.433 174.600 -0.786 0.000 1.094 362 S CA -0.605 56.846 58.200 -1.249 0.000 1.081 362 S CB 0.997 62.914 63.200 -2.137 0.000 1.007 362 S HN 0.799 nan 8.310 nan 0.000 0.475 363 G N 2.168 110.637 108.800 -0.551 0.000 3.284 363 G HA2 0.205 4.165 3.960 0.001 0.000 0.236 363 G HA3 0.205 4.165 3.960 0.001 0.000 0.236 363 G C -0.103 174.626 174.900 -0.284 0.000 1.158 363 G CA -0.118 44.763 45.100 -0.364 0.000 0.774 363 G HN 0.806 nan 8.290 nan 0.000 0.545 364 D N -1.209 118.982 120.400 -0.347 0.000 2.940 364 D HA 0.157 4.797 4.640 0.001 0.000 0.366 364 D C -0.098 176.037 176.300 -0.275 0.000 1.446 364 D CA -0.732 53.139 54.000 -0.213 0.000 0.780 364 D CB -0.241 40.529 40.800 -0.051 0.000 1.206 364 D HN -0.060 nan 8.370 nan 0.000 0.454 365 D N 0.179 120.373 120.400 -0.344 0.000 2.870 365 D HA -0.116 4.524 4.640 0.001 0.000 0.228 365 D C 1.329 177.435 176.300 -0.324 0.000 1.147 365 D CA 1.682 55.511 54.000 -0.285 0.000 0.757 365 D CB -1.429 39.275 40.800 -0.160 0.000 1.091 365 D HN 0.804 nan 8.370 nan 0.000 0.429 366 G N -0.629 107.815 108.800 -0.592 0.000 2.176 366 G HA2 -0.377 3.583 3.960 0.001 0.000 0.232 366 G HA3 -0.377 3.583 3.960 0.001 0.000 0.232 366 G C 0.923 175.416 174.900 -0.678 0.000 0.986 366 G CA 0.563 45.316 45.100 -0.578 0.000 0.643 366 G HN 0.463 nan 8.290 nan 0.000 0.522 367 Q N -0.490 118.949 119.800 -0.602 0.000 2.230 367 Q HA 0.097 4.438 4.340 0.001 0.000 0.202 367 Q C 0.580 176.489 176.000 -0.151 0.000 0.963 367 Q CA 1.482 57.020 55.803 -0.442 0.000 0.866 367 Q CB 0.253 28.694 28.738 -0.495 0.000 0.931 367 Q HN 0.439 nan 8.270 nan 0.000 0.452 368 T N -0.395 114.013 114.554 -0.243 0.000 2.956 368 T HA 0.412 4.762 4.350 0.001 0.000 0.312 368 T C -1.939 172.553 174.700 -0.347 0.000 1.151 368 T CA -0.604 61.448 62.100 -0.079 0.000 1.024 368 T CB 1.045 69.947 68.868 0.055 0.000 1.140 368 T HN 0.098 nan 8.240 nan 0.000 0.473 369 W N 1.563 122.759 121.300 -0.173 0.000 2.962 369 W HA 0.635 5.296 4.660 0.001 0.000 0.341 369 W C 0.453 176.893 176.519 -0.133 0.000 1.155 369 W CA -0.784 56.456 57.345 -0.176 0.000 1.165 369 W CB 1.094 30.442 29.460 -0.187 0.000 1.435 369 W HN 0.687 nan 8.180 nan 0.000 0.546 370 S N -0.367 115.388 115.700 0.092 0.000 2.632 370 S HA 0.480 4.950 4.470 0.001 0.000 0.267 370 S C 0.039 174.687 174.600 0.080 0.000 1.276 370 S CA -0.641 57.582 58.200 0.039 0.000 0.998 370 S CB 0.653 63.849 63.200 -0.007 0.000 0.953 370 S HN 0.354 nan 8.310 nan 0.000 0.547 371 T N 3.823 118.406 114.554 0.048 0.000 2.908 371 T HA 0.236 4.587 4.350 0.001 0.000 0.301 371 T C -2.286 172.465 174.700 0.086 0.000 1.019 371 T CA -0.298 61.826 62.100 0.041 0.000 1.152 371 T CB -0.353 68.511 68.868 -0.008 0.000 0.966 371 T HN 0.526 nan 8.240 nan 0.000 0.540 372 P HA 0.113 nan 4.420 nan 0.000 0.265 372 P C -0.264 177.063 177.300 0.046 0.000 1.187 372 P CA 0.039 63.245 63.100 0.177 0.000 0.766 372 P CB 0.482 32.313 31.700 0.218 0.000 0.820 373 E N 2.052 122.321 120.200 0.115 0.000 2.222 373 E HA 0.263 4.613 4.350 0.001 0.000 0.267 373 E C -1.172 175.440 176.600 0.020 0.000 0.884 373 E CA -0.756 55.648 56.400 0.007 0.000 0.764 373 E CB 0.728 30.507 29.700 0.132 0.000 1.169 373 E HN 0.266 nan 8.360 nan 0.000 0.413 374 W N 5.710 126.935 121.300 -0.125 0.000 2.322 374 W HA 0.259 4.920 4.660 0.001 0.000 0.307 374 W C 0.588 177.046 176.519 -0.101 0.000 1.220 374 W CA -0.657 56.594 57.345 -0.156 0.000 1.210 374 W CB 0.578 29.904 29.460 -0.224 0.000 1.223 374 W HN 0.686 nan 8.180 nan 0.000 0.511 375 L N 2.218 123.481 121.223 0.067 0.000 2.408 375 L HA 0.056 4.397 4.340 0.001 0.000 0.215 375 L C 1.234 178.223 176.870 0.199 0.000 1.081 375 L CA 0.781 55.664 54.840 0.073 0.000 0.840 375 L CB -0.351 41.629 42.059 -0.132 0.000 1.002 375 L HN 0.304 nan 8.230 nan 0.000 0.468 376 T N -3.731 110.887 114.554 0.107 0.000 2.887 376 T HA 0.394 4.744 4.350 0.001 0.000 0.288 376 T C -0.423 174.416 174.700 0.233 0.000 1.021 376 T CA -0.947 61.222 62.100 0.116 0.000 1.000 376 T CB 2.405 71.227 68.868 -0.078 0.000 1.034 376 T HN -0.182 nan 8.240 nan 0.000 0.467 377 D N 1.174 121.738 120.400 0.274 0.000 2.377 377 D HA 0.272 4.913 4.640 0.001 0.000 0.245 377 D C 0.629 176.976 176.300 0.078 0.000 1.196 377 D CA -0.430 53.699 54.000 0.215 0.000 0.962 377 D CB 0.763 41.680 40.800 0.196 0.000 1.127 377 D HN 0.516 nan 8.370 nan 0.000 0.471 378 L N 1.350 122.491 121.223 -0.136 0.000 2.525 378 L HA -0.046 4.294 4.340 0.001 0.000 0.278 378 L C 1.295 178.077 176.870 -0.147 0.000 1.218 378 L CA 0.207 54.865 54.840 -0.303 0.000 0.878 378 L CB 0.167 41.933 42.059 -0.488 0.000 1.127 378 L HN 0.342 nan 8.230 nan 0.000 0.492 379 H N 5.499 124.343 119.070 -0.376 0.000 2.972 379 H HA -0.013 4.543 4.556 0.001 0.000 0.343 379 H C -1.642 173.611 175.328 -0.125 0.000 1.054 379 H CA -0.981 54.795 56.048 -0.453 0.000 1.412 379 H CB 1.379 30.789 29.762 -0.586 0.000 1.385 379 H HN 0.377 nan 8.280 nan 0.000 0.600 380 P HA -0.143 nan 4.420 nan 0.000 0.217 380 P C 0.309 177.680 177.300 0.120 0.000 1.148 380 P CA 1.402 64.463 63.100 -0.065 0.000 0.834 380 P CB 0.285 31.899 31.700 -0.143 0.000 0.783 381 D N -2.893 117.734 120.400 0.379 0.000 2.358 381 D HA 0.034 4.674 4.640 0.001 0.000 0.224 381 D C 0.189 176.558 176.300 0.115 0.000 1.123 381 D CA -0.369 53.764 54.000 0.223 0.000 0.833 381 D CB -0.902 39.995 40.800 0.161 0.000 0.946 381 D HN 0.195 nan 8.370 nan 0.000 0.505 382 Y N 2.522 122.836 120.300 0.023 0.000 2.597 382 Y HA 0.115 4.666 4.550 0.001 0.000 0.336 382 Y C -1.323 174.558 175.900 -0.032 0.000 1.216 382 Y CA -1.011 57.058 58.100 -0.051 0.000 1.463 382 Y CB 0.907 39.330 38.460 -0.063 0.000 1.303 382 Y HN -0.043 nan 8.280 nan 0.000 0.576 383 P HA 0.162 nan 4.420 nan 0.000 0.248 383 P C 0.199 177.192 177.300 -0.511 0.000 1.708 383 P CA 0.093 62.627 63.100 -0.944 0.000 1.062 383 P CB 0.360 31.582 31.700 -0.796 0.000 1.562 384 T N -0.953 113.416 114.554 -0.309 0.000 2.851 384 T HA 0.067 4.418 4.350 0.001 0.000 0.262 384 T C 1.095 175.631 174.700 -0.274 0.000 1.043 384 T CA 0.984 62.942 62.100 -0.238 0.000 1.140 384 T CB -0.115 68.657 68.868 -0.160 0.000 0.872 384 T HN 0.153 nan 8.240 nan 0.000 0.446 385 V N -1.196 118.522 119.914 -0.325 0.000 3.159 385 V HA 0.733 4.854 4.120 0.001 0.000 0.308 385 V C -1.166 174.706 176.094 -0.370 0.000 1.190 385 V CA -1.282 60.790 62.300 -0.380 0.000 1.037 385 V CB 2.209 33.721 31.823 -0.519 0.000 1.060 385 V HN 0.334 nan 8.190 nan 0.000 0.437 386 N N -0.839 117.665 118.700 -0.327 0.000 3.020 386 N HA 0.521 5.261 4.740 0.001 0.000 0.248 386 N C -1.787 173.589 175.510 -0.223 0.000 1.480 386 N CA -0.675 52.218 53.050 -0.262 0.000 0.874 386 N CB 1.947 40.411 38.487 -0.037 0.000 1.433 386 N HN 0.692 nan 8.380 nan 0.000 0.530 387 Y N 0.651 120.913 120.300 -0.064 0.000 2.281 387 Y HA 0.349 4.900 4.550 0.001 0.000 0.337 387 Y C 0.551 176.389 175.900 -0.104 0.000 1.304 387 Y CA 0.207 58.229 58.100 -0.131 0.000 1.465 387 Y CB 0.342 38.659 38.460 -0.238 0.000 1.350 387 Y HN 0.345 nan 8.280 nan 0.000 0.575 388 H N -0.232 118.804 119.070 -0.057 0.000 3.094 388 H HA 0.398 4.955 4.556 0.001 0.000 0.335 388 H C -1.875 173.357 175.328 -0.161 0.000 1.254 388 H CA -0.865 55.100 56.048 -0.138 0.000 1.240 388 H CB 1.776 31.452 29.762 -0.144 0.000 1.936 388 H HN 0.819 nan 8.280 nan 0.000 0.536 389 C N 6.463 125.523 119.300 -0.401 0.000 2.871 389 C HA 0.445 4.905 4.460 0.001 0.000 0.378 389 C C -0.104 174.776 174.990 -0.183 0.000 1.052 389 C CA -0.404 58.486 59.018 -0.213 0.000 1.250 389 C CB 0.297 27.897 27.740 -0.233 0.000 1.689 389 C HN 0.937 nan 8.230 nan 0.000 0.506 390 M N 3.473 123.066 119.600 -0.013 0.000 2.340 390 M HA 0.236 4.717 4.480 0.001 0.000 0.345 390 M C 0.305 176.637 176.300 0.054 0.000 1.008 390 M CA 0.280 55.617 55.300 0.062 0.000 0.987 390 M CB 0.734 33.467 32.600 0.223 0.000 1.598 390 M HN 0.668 nan 8.290 nan 0.000 0.569 391 S N 1.610 117.358 115.700 0.080 0.000 2.733 391 S HA 0.775 5.245 4.470 0.001 0.000 0.294 391 S C -1.055 173.597 174.600 0.087 0.000 1.149 391 S CA -0.496 57.790 58.200 0.142 0.000 1.034 391 S CB 1.298 64.644 63.200 0.244 0.000 1.015 391 S HN 0.392 nan 8.310 nan 0.000 0.486 392 M N 4.609 124.218 119.600 0.015 0.000 2.414 392 M HA 0.670 5.150 4.480 0.001 0.000 0.287 392 M C -0.811 175.069 176.300 -0.699 0.000 1.181 392 M CA -0.085 55.071 55.300 -0.239 0.000 0.933 392 M CB 1.764 34.338 32.600 -0.044 0.000 1.732 392 M HN 0.889 nan 8.290 nan 0.000 0.486 393 G N 1.473 109.418 108.800 -1.425 0.000 2.428 393 G HA2 0.563 4.523 3.960 0.001 0.000 0.304 393 G HA3 0.563 4.523 3.960 0.001 0.000 0.304 393 G C -2.363 171.690 174.900 -1.411 0.000 1.303 393 G CA -0.569 43.498 45.100 -1.722 0.000 0.825 393 G HN 0.628 nan 8.290 nan 0.000 0.484 394 V N -0.332 119.058 119.914 -0.873 0.000 2.487 394 V HA 0.602 4.722 4.120 0.001 0.000 0.298 394 V C -0.603 175.524 176.094 0.056 0.000 1.028 394 V CA -0.639 61.404 62.300 -0.429 0.000 0.860 394 V CB 1.279 32.822 31.823 -0.467 0.000 0.991 394 V HN 0.977 nan 8.190 nan 0.000 0.427 395 C N 6.473 125.934 119.300 0.269 0.000 2.364 395 C HA 0.693 5.153 4.460 0.001 0.000 0.324 395 C C 0.702 175.994 174.990 0.505 0.000 1.234 395 C CA -0.824 58.462 59.018 0.446 0.000 1.417 395 C CB 0.154 28.232 27.740 0.562 0.000 2.101 395 C HN 1.058 nan 8.230 nan 0.000 0.466 396 R N 4.719 125.428 120.500 0.348 0.000 3.188 396 R HA -0.216 4.125 4.340 0.001 0.000 0.247 396 R C 0.437 176.871 176.300 0.223 0.000 0.918 396 R CA 1.619 57.855 56.100 0.227 0.000 0.629 396 R CB -2.198 28.137 30.300 0.059 0.000 1.087 396 R HN 1.089 nan 8.270 nan 0.000 0.462 397 N N -1.702 117.121 118.700 0.204 0.000 2.778 397 N HA -0.261 4.479 4.740 0.001 0.000 0.249 397 N C -0.802 174.672 175.510 -0.060 0.000 1.069 397 N CA 1.776 54.899 53.050 0.122 0.000 0.831 397 N CB -0.486 38.099 38.487 0.164 0.000 1.142 397 N HN 0.692 nan 8.380 nan 0.000 0.573 398 R N 0.171 120.657 120.500 -0.023 0.000 2.711 398 R HA 0.561 4.902 4.340 0.001 0.000 0.284 398 R C -0.690 175.392 176.300 -0.364 0.000 0.968 398 R CA -1.053 54.900 56.100 -0.246 0.000 0.924 398 R CB 1.711 31.767 30.300 -0.406 0.000 1.162 398 R HN 0.016 nan 8.270 nan 0.000 0.465 399 L N 2.331 123.294 121.223 -0.434 0.000 2.331 399 L HA 0.380 4.721 4.340 0.001 0.000 0.278 399 L C -1.310 175.297 176.870 -0.438 0.000 1.106 399 L CA 0.449 55.032 54.840 -0.428 0.000 0.824 399 L CB 0.257 42.186 42.059 -0.216 0.000 1.142 399 L HN 0.422 nan 8.230 nan 0.000 0.443 400 F N 4.102 123.821 119.950 -0.385 0.000 2.540 400 F HA 0.780 5.307 4.527 0.001 0.000 0.317 400 F C 0.089 175.705 175.800 -0.306 0.000 1.104 400 F CA -0.360 57.466 58.000 -0.290 0.000 0.913 400 F CB 2.038 40.760 39.000 -0.464 0.000 1.170 400 F HN 0.591 nan 8.300 nan 0.000 0.450 401 A N 3.366 126.209 122.820 0.038 0.000 2.486 401 A HA 0.731 5.052 4.320 0.001 0.000 0.300 401 A C -1.442 176.104 177.584 -0.062 0.000 1.048 401 A CA -0.729 51.274 52.037 -0.056 0.000 0.696 401 A CB 1.514 20.432 19.000 -0.137 0.000 1.278 401 A HN 0.726 nan 8.150 nan 0.000 0.405 402 M N 3.815 123.390 119.600 -0.043 0.000 2.151 402 M HA 0.417 4.898 4.480 0.001 0.000 0.349 402 M C -1.249 174.920 176.300 -0.218 0.000 1.284 402 M CA -0.476 54.787 55.300 -0.062 0.000 1.173 402 M CB -0.280 32.360 32.600 0.067 0.000 1.469 402 M HN 0.462 nan 8.290 nan 0.000 0.439 403 I N 4.795 125.087 120.570 -0.463 0.000 2.312 403 I HA 0.240 4.411 4.170 0.001 0.000 0.291 403 I C 0.271 176.168 176.117 -0.367 0.000 1.031 403 I CA -0.059 60.815 61.300 -0.710 0.000 1.293 403 I CB 0.322 37.265 38.000 -1.761 0.000 1.403 403 I HN 0.686 nan 8.210 nan 0.000 0.484 404 E N 4.006 124.106 120.200 -0.167 0.000 2.277 404 E HA 0.388 4.739 4.350 0.001 0.000 0.274 404 E C -0.463 176.173 176.600 0.061 0.000 1.022 404 E CA -0.407 55.978 56.400 -0.025 0.000 0.853 404 E CB 1.262 30.980 29.700 0.031 0.000 1.086 404 E HN 0.441 nan 8.360 nan 0.000 0.397 405 T N 3.359 117.942 114.554 0.049 0.000 2.779 405 T HA 0.459 4.810 4.350 0.001 0.000 0.280 405 T C -0.355 174.288 174.700 -0.095 0.000 0.987 405 T CA -0.733 61.370 62.100 0.005 0.000 0.966 405 T CB 0.645 69.522 68.868 0.016 0.000 0.933 405 T HN 0.299 nan 8.240 nan 0.000 0.442 406 R N 1.124 121.535 120.500 -0.149 0.000 2.744 406 R HA 0.602 4.943 4.340 0.001 0.000 0.279 406 R C -0.094 176.089 176.300 -0.195 0.000 0.977 406 R CA -1.067 54.928 56.100 -0.175 0.000 0.906 406 R CB 1.405 31.572 30.300 -0.221 0.000 1.197 406 R HN 0.707 nan 8.270 nan 0.000 0.463 407 T N -0.485 113.965 114.554 -0.174 0.000 2.907 407 T HA 0.131 4.482 4.350 0.001 0.000 0.298 407 T C 1.284 175.884 174.700 -0.166 0.000 1.017 407 T CA -0.607 61.389 62.100 -0.173 0.000 1.118 407 T CB 0.689 69.475 68.868 -0.136 0.000 0.948 407 T HN 0.367 nan 8.240 nan 0.000 0.531 408 L N 2.833 123.945 121.223 -0.185 0.000 2.046 408 L HA 0.046 4.387 4.340 0.001 0.000 0.208 408 L C 2.964 179.760 176.870 -0.123 0.000 1.077 408 L CA 2.216 56.956 54.840 -0.167 0.000 0.747 408 L CB -1.234 40.692 42.059 -0.222 0.000 0.896 408 L HN 0.986 nan 8.230 nan 0.000 0.432 409 A N -0.967 121.784 122.820 -0.115 0.000 1.877 409 A HA -0.210 4.110 4.320 0.001 0.000 0.216 409 A C 2.133 179.677 177.584 -0.066 0.000 1.186 409 A CA 2.051 54.038 52.037 -0.082 0.000 0.620 409 A CB -0.208 18.748 19.000 -0.074 0.000 0.822 409 A HN 0.381 nan 8.150 nan 0.000 0.443 410 K N -2.530 117.825 120.400 -0.075 0.000 2.520 410 K HA 0.142 4.462 4.320 0.001 0.000 0.206 410 K C 0.165 176.719 176.600 -0.077 0.000 1.122 410 K CA 0.195 56.445 56.287 -0.061 0.000 1.045 410 K CB 0.725 33.196 32.500 -0.049 0.000 0.932 410 K HN 0.297 nan 8.250 nan 0.000 0.571 411 N N 1.187 119.823 118.700 -0.107 0.000 2.708 411 N HA -0.200 4.540 4.740 0.001 0.000 0.249 411 N C -0.967 174.454 175.510 -0.149 0.000 1.097 411 N CA 0.871 53.833 53.050 -0.147 0.000 0.710 411 N CB -1.012 37.384 38.487 -0.153 0.000 1.032 411 N HN 0.345 nan 8.380 nan 0.000 0.551 412 A N 0.298 123.047 122.820 -0.118 0.000 2.409 412 A HA 0.426 4.746 4.320 0.001 0.000 0.262 412 A C 0.576 178.092 177.584 -0.114 0.000 1.113 412 A CA -0.425 51.553 52.037 -0.099 0.000 0.790 412 A CB 0.412 19.367 19.000 -0.074 0.000 1.046 412 A HN 0.426 nan 8.150 nan 0.000 0.496 413 L N 2.876 124.037 121.223 -0.103 0.000 2.453 413 L HA 0.304 4.645 4.340 0.001 0.000 0.272 413 L C 1.024 177.853 176.870 -0.069 0.000 1.182 413 L CA 1.460 56.243 54.840 -0.094 0.000 0.858 413 L CB 0.730 42.745 42.059 -0.073 0.000 1.120 413 L HN 0.767 nan 8.230 nan 0.000 0.474 414 T N 3.685 118.199 114.554 -0.066 0.000 2.989 414 T HA 0.228 4.579 4.350 0.001 0.000 0.250 414 T C 0.082 174.770 174.700 -0.020 0.000 0.981 414 T CA -0.016 62.052 62.100 -0.052 0.000 0.980 414 T CB -0.051 68.766 68.868 -0.086 0.000 1.133 414 T HN 0.689 nan 8.240 nan 0.000 0.489 415 N N -0.049 118.646 118.700 -0.008 0.000 2.446 415 N HA 0.287 5.028 4.740 0.001 0.000 0.272 415 N C -2.001 173.522 175.510 0.022 0.000 1.127 415 N CA -0.348 52.717 53.050 0.026 0.000 0.896 415 N CB 1.825 40.353 38.487 0.069 0.000 1.658 415 N HN 0.086 nan 8.380 nan 0.000 0.483 416 C N 1.985 121.297 119.300 0.020 0.000 2.408 416 C HA 0.913 5.374 4.460 0.001 0.000 0.321 416 C C 0.086 175.094 174.990 0.030 0.000 1.245 416 C CA -0.353 58.667 59.018 0.002 0.000 1.523 416 C CB 0.150 27.873 27.740 -0.030 0.000 2.178 416 C HN 0.712 nan 8.230 nan 0.000 0.488 417 A N 2.730 125.562 122.820 0.021 0.000 2.393 417 A HA 0.769 5.090 4.320 0.001 0.000 0.306 417 A C -1.253 176.387 177.584 0.094 0.000 1.050 417 A CA -0.449 51.656 52.037 0.114 0.000 0.724 417 A CB 0.927 20.101 19.000 0.290 0.000 1.248 417 A HN 0.807 nan 8.150 nan 0.000 0.424 418 L N 2.631 123.951 121.223 0.161 0.000 2.261 418 L HA 0.621 4.961 4.340 0.001 0.000 0.289 418 L C -1.399 175.667 176.870 0.326 0.000 1.059 418 L CA -0.349 54.590 54.840 0.165 0.000 0.816 418 L CB -0.221 41.900 42.059 0.103 0.000 1.191 418 L HN 0.623 nan 8.230 nan 0.000 0.431 419 W N 4.004 125.238 121.300 -0.110 0.000 2.469 419 W HA 0.535 5.196 4.660 0.001 0.000 0.320 419 W C -0.384 176.133 176.519 -0.004 0.000 1.086 419 W CA -1.106 56.149 57.345 -0.150 0.000 1.211 419 W CB 1.169 30.280 29.460 -0.581 0.000 1.298 419 W HN 0.680 nan 8.180 nan 0.000 0.525 420 D N 0.548 121.111 120.400 0.272 0.000 2.602 420 D HA 0.777 5.418 4.640 0.001 0.000 0.236 420 D C -1.012 175.285 176.300 -0.004 0.000 1.209 420 D CA -1.101 52.865 54.000 -0.057 0.000 0.831 420 D CB 2.074 42.371 40.800 -0.838 0.000 1.478 420 D HN 0.268 nan 8.370 nan 0.000 0.438 421 R N 0.041 120.395 120.500 -0.243 0.000 2.680 421 R HA 0.473 4.813 4.340 0.001 0.000 0.269 421 R C -2.881 173.233 176.300 -0.310 0.000 1.026 421 R CA -2.076 53.791 56.100 -0.389 0.000 0.889 421 R CB 2.411 32.190 30.300 -0.868 0.000 1.241 421 R HN 0.400 nan 8.270 nan 0.000 0.463 422 P HA 0.135 nan 4.420 nan 0.000 0.275 422 P C -0.619 176.624 177.300 -0.095 0.000 1.228 422 P CA -0.190 62.792 63.100 -0.197 0.000 0.786 422 P CB 0.733 32.330 31.700 -0.172 0.000 0.927 423 M N 0.908 120.415 119.600 -0.156 0.000 2.274 423 M HA 0.172 4.652 4.480 0.001 0.000 0.344 423 M C 0.619 176.918 176.300 -0.001 0.000 1.161 423 M CA -0.058 55.130 55.300 -0.187 0.000 1.126 423 M CB 0.319 32.519 32.600 -0.666 0.000 1.522 423 M HN 0.266 nan 8.290 nan 0.000 0.461 424 S N 3.256 118.990 115.700 0.056 0.000 2.533 424 S HA 0.385 4.855 4.470 0.001 0.000 0.282 424 S C -0.075 174.620 174.600 0.157 0.000 1.304 424 S CA -0.360 57.906 58.200 0.109 0.000 1.063 424 S CB 0.186 63.465 63.200 0.131 0.000 0.881 424 S HN 0.546 nan 8.310 nan 0.000 0.493 425 R N 1.334 121.901 120.500 0.112 0.000 2.710 425 R HA 0.619 4.959 4.340 0.001 0.000 0.270 425 R C -1.451 174.853 176.300 0.006 0.000 1.021 425 R CA -0.766 55.381 56.100 0.078 0.000 0.889 425 R CB 1.220 31.573 30.300 0.090 0.000 1.243 425 R HN 0.403 nan 8.270 nan 0.000 0.464 426 S N 1.338 117.005 115.700 -0.054 0.000 2.449 426 S HA 0.529 5.000 4.470 0.001 0.000 0.310 426 S C -0.700 173.658 174.600 -0.403 0.000 1.096 426 S CA -0.816 57.285 58.200 -0.165 0.000 1.095 426 S CB 0.662 63.812 63.200 -0.084 0.000 1.007 426 S HN 0.283 nan 8.310 nan 0.000 0.474 427 L N 4.474 125.424 121.223 -0.455 0.000 2.322 427 L HA 0.501 4.841 4.340 0.001 0.000 0.281 427 L C -0.601 175.862 176.870 -0.679 0.000 1.014 427 L CA -0.760 53.769 54.840 -0.519 0.000 0.815 427 L CB 1.141 43.016 42.059 -0.307 0.000 1.247 427 L HN 0.621 nan 8.230 nan 0.000 0.421 428 H N 5.385 124.375 119.070 -0.133 0.000 2.673 428 H HA 0.512 5.069 4.556 0.001 0.000 0.293 428 H C -0.500 174.645 175.328 -0.305 0.000 1.065 428 H CA -0.341 55.609 56.048 -0.164 0.000 1.236 428 H CB 1.373 31.143 29.762 0.013 0.000 1.389 428 H HN 0.404 nan 8.280 nan 0.000 0.481 429 L N 1.333 122.240 121.223 -0.525 0.000 2.260 429 L HA 0.591 4.931 4.340 0.001 0.000 0.265 429 L C 0.195 176.840 176.870 -0.374 0.000 1.015 429 L CA -0.760 53.753 54.840 -0.544 0.000 0.826 429 L CB 1.923 43.413 42.059 -0.949 0.000 1.373 429 L HN 0.381 nan 8.230 nan 0.000 0.450 430 T N 0.676 115.185 114.554 -0.075 0.000 3.078 430 T HA 0.597 4.947 4.350 0.001 0.000 0.328 430 T C -0.154 174.710 174.700 0.273 0.000 0.987 430 T CA -0.067 62.114 62.100 0.135 0.000 1.049 430 T CB 1.206 70.116 68.868 0.070 0.000 1.011 430 T HN 1.117 nan 8.240 nan 0.000 0.463 431 G N 1.544 110.615 108.800 0.451 0.000 2.698 431 G HA2 0.314 4.274 3.960 0.001 0.000 0.225 431 G HA3 0.314 4.274 3.960 0.001 0.000 0.225 431 G C 0.641 175.777 174.900 0.393 0.000 1.345 431 G CA 0.418 45.696 45.100 0.296 0.000 0.871 431 G HN 1.878 nan 8.290 nan 0.000 0.540 432 G N -1.897 107.021 108.800 0.196 0.000 2.213 432 G HA2 -0.104 3.856 3.960 0.001 0.000 0.236 432 G HA3 -0.104 3.856 3.960 0.001 0.000 0.236 432 G C 0.408 175.337 174.900 0.048 0.000 0.991 432 G CA 0.732 45.960 45.100 0.214 0.000 0.629 432 G HN 1.584 nan 8.290 nan 0.000 0.517 433 I N 2.760 123.249 120.570 -0.136 0.000 2.321 433 I HA 0.505 4.675 4.170 0.001 0.000 0.291 433 I C 0.547 176.543 176.117 -0.201 0.000 0.998 433 I CA -0.107 61.022 61.300 -0.285 0.000 1.227 433 I CB 1.690 39.347 38.000 -0.571 0.000 1.368 433 I HN 0.234 nan 8.210 nan 0.000 0.466 434 T N 2.649 117.107 114.554 -0.161 0.000 2.829 434 T HA 0.477 4.828 4.350 0.001 0.000 0.280 434 T C -0.514 174.111 174.700 -0.125 0.000 0.999 434 T CA -1.001 61.026 62.100 -0.122 0.000 0.983 434 T CB 2.137 70.958 68.868 -0.078 0.000 0.968 434 T HN 0.470 nan 8.240 nan 0.000 0.446 435 K N 1.922 122.256 120.400 -0.110 0.000 2.572 435 K HA 0.592 4.912 4.320 0.001 0.000 0.244 435 K C -0.187 176.377 176.600 -0.059 0.000 0.965 435 K CA -0.653 55.580 56.287 -0.090 0.000 0.943 435 K CB 1.242 33.673 32.500 -0.115 0.000 1.154 435 K HN 0.929 nan 8.250 nan 0.000 0.447 436 A N 2.537 125.334 122.820 -0.037 0.000 2.445 436 A HA 0.459 4.780 4.320 0.001 0.000 0.242 436 A C 0.226 177.797 177.584 -0.021 0.000 1.075 436 A CA -0.114 51.908 52.037 -0.026 0.000 0.777 436 A CB 0.368 19.360 19.000 -0.015 0.000 1.013 436 A HN 0.819 nan 8.150 nan 0.000 0.493 437 A N 2.271 125.078 122.820 -0.021 0.000 2.483 437 A HA 0.414 4.734 4.320 0.001 0.000 0.238 437 A C 0.926 178.504 177.584 -0.010 0.000 1.070 437 A CA 0.434 52.460 52.037 -0.019 0.000 0.770 437 A CB -0.287 18.702 19.000 -0.019 0.000 1.008 437 A HN 1.360 nan 8.150 nan 0.000 0.497 438 N N -1.333 117.360 118.700 -0.011 0.000 2.901 438 N HA -0.159 4.581 4.740 0.001 0.000 0.248 438 N C -0.352 175.163 175.510 0.009 0.000 1.044 438 N CA 1.700 54.748 53.050 -0.004 0.000 0.847 438 N CB -1.561 36.925 38.487 -0.002 0.000 1.127 438 N HN 1.063 nan 8.380 nan 0.000 0.562 439 Q N -1.688 118.120 119.800 0.014 0.000 2.511 439 Q HA 0.599 4.939 4.340 0.001 0.000 0.289 439 Q C -0.069 175.944 176.000 0.022 0.000 1.021 439 Q CA -0.837 54.995 55.803 0.049 0.000 0.785 439 Q CB 0.903 29.696 28.738 0.091 0.000 1.472 439 Q HN 0.017 nan 8.270 nan 0.000 0.411 440 R N -0.116 120.388 120.500 0.006 0.000 2.393 440 R HA 0.272 4.612 4.340 0.001 0.000 0.244 440 R C -0.488 175.641 176.300 -0.285 0.000 0.920 440 R CA 0.039 56.040 56.100 -0.165 0.000 1.076 440 R CB 0.360 30.505 30.300 -0.258 0.000 1.119 440 R HN 0.501 nan 8.270 nan 0.000 0.524 441 Y N 0.164 120.430 120.300 -0.057 0.000 2.419 441 Y HA 0.570 5.120 4.550 0.001 0.000 0.328 441 Y C 0.305 176.146 175.900 -0.098 0.000 1.162 441 Y CA -1.156 56.905 58.100 -0.065 0.000 1.174 441 Y CB 1.428 39.865 38.460 -0.038 0.000 1.228 441 Y HN -0.103 nan 8.280 nan 0.000 0.473 442 A N 0.994 123.828 122.820 0.024 0.000 2.393 442 A HA 0.632 4.952 4.320 0.001 0.000 0.306 442 A C -0.519 176.996 177.584 -0.115 0.000 1.050 442 A CA -0.687 51.289 52.037 -0.102 0.000 0.724 442 A CB 0.928 19.786 19.000 -0.237 0.000 1.248 442 A HN 0.699 nan 8.150 nan 0.000 0.424 443 T N 1.133 115.610 114.554 -0.129 0.000 2.829 443 T HA 0.662 5.012 4.350 0.001 0.000 0.282 443 T C -0.343 174.220 174.700 -0.227 0.000 0.990 443 T CA -0.577 61.430 62.100 -0.156 0.000 1.028 443 T CB 0.323 69.148 68.868 -0.071 0.000 0.951 443 T HN 0.484 nan 8.240 nan 0.000 0.460 444 I N 4.423 124.762 120.570 -0.385 0.000 2.362 444 I HA 0.286 4.457 4.170 0.001 0.000 0.289 444 I C 0.246 176.246 176.117 -0.194 0.000 0.994 444 I CA -0.789 60.278 61.300 -0.388 0.000 1.158 444 I CB 1.123 38.627 38.000 -0.827 0.000 1.315 444 I HN 0.840 nan 8.210 nan 0.000 0.451 445 H N 6.581 125.635 119.070 -0.028 0.000 2.761 445 H HA 0.499 5.056 4.556 0.001 0.000 0.284 445 H C -1.554 173.876 175.328 0.168 0.000 1.105 445 H CA -0.250 55.843 56.048 0.074 0.000 1.352 445 H CB 1.302 31.111 29.762 0.077 0.000 1.423 445 H HN 0.383 nan 8.280 nan 0.000 0.464 446 V N 9.110 128.928 119.914 -0.161 0.000 2.445 446 V HA 0.175 4.295 4.120 0.001 0.000 0.283 446 V C -2.252 173.805 176.094 -0.061 0.000 1.014 446 V CA -1.556 60.738 62.300 -0.009 0.000 0.852 446 V CB 1.658 33.646 31.823 0.275 0.000 1.021 446 V HN 0.762 nan 8.190 nan 0.000 0.435 447 P HA 0.053 nan 4.420 nan 0.000 0.261 447 P C -0.066 177.202 177.300 -0.054 0.000 1.183 447 P CA 0.630 63.658 63.100 -0.120 0.000 0.761 447 P CB 0.370 32.043 31.700 -0.045 0.000 0.785 448 D N 1.123 121.454 120.400 -0.116 0.000 2.689 448 D HA -0.193 4.448 4.640 0.001 0.000 0.237 448 D C 1.393 177.585 176.300 -0.180 0.000 1.148 448 D CA 0.902 54.785 54.000 -0.195 0.000 0.656 448 D CB -1.463 39.272 40.800 -0.108 0.000 1.050 448 D HN 0.701 nan 8.370 nan 0.000 0.426 449 H N -0.869 118.181 119.070 -0.034 0.000 2.421 449 H HA 0.012 4.569 4.556 0.001 0.000 0.298 449 H C 1.760 177.040 175.328 -0.079 0.000 1.087 449 H CA 1.389 57.428 56.048 -0.014 0.000 1.330 449 H CB -0.185 29.621 29.762 0.073 0.000 1.388 449 H HN 0.379 nan 8.280 nan 0.000 0.526 450 G N 1.285 109.860 108.800 -0.375 0.000 2.198 450 G HA2 -0.273 3.688 3.960 0.001 0.000 0.260 450 G HA3 -0.273 3.688 3.960 0.001 0.000 0.260 450 G C -0.035 174.806 174.900 -0.099 0.000 1.025 450 G CA 0.565 45.546 45.100 -0.198 0.000 0.769 450 G HN 0.407 nan 8.290 nan 0.000 0.507 451 L N -1.111 120.219 121.223 0.178 0.000 2.352 451 L HA 0.865 5.206 4.340 0.001 0.000 0.269 451 L C 0.291 177.119 176.870 -0.070 0.000 1.034 451 L CA -1.293 53.473 54.840 -0.123 0.000 0.806 451 L CB 0.912 42.792 42.059 -0.298 0.000 1.244 451 L HN -0.042 nan 8.230 nan 0.000 0.447 452 F N -0.477 119.495 119.950 0.036 0.000 2.556 452 F HA 0.435 4.963 4.527 0.001 0.000 0.327 452 F C 0.187 175.985 175.800 -0.004 0.000 1.059 452 F CA -1.353 56.676 58.000 0.049 0.000 0.953 452 F CB 1.345 40.369 39.000 0.040 0.000 1.227 452 F HN -0.072 nan 8.300 nan 0.000 0.478 453 V N 1.984 122.047 119.914 0.248 0.000 2.681 453 V HA 0.247 4.367 4.120 0.001 0.000 0.306 453 V C 1.027 177.185 176.094 0.105 0.000 1.077 453 V CA 1.861 64.242 62.300 0.135 0.000 1.224 453 V CB -0.093 31.790 31.823 0.100 0.000 0.879 453 V HN 1.092 nan 8.190 nan 0.000 0.494 454 G N 3.534 112.377 108.800 0.072 0.000 2.195 454 G HA2 -0.195 3.765 3.960 0.001 0.000 0.246 454 G HA3 -0.195 3.765 3.960 0.001 0.000 0.246 454 G C -0.013 174.909 174.900 0.036 0.000 0.984 454 G CA 0.108 45.238 45.100 0.051 0.000 0.633 454 G HN 0.687 nan 8.290 nan 0.000 0.525 455 D N -0.211 120.202 120.400 0.020 0.000 2.362 455 D HA 0.428 5.069 4.640 0.001 0.000 0.242 455 D C 0.429 176.735 176.300 0.011 0.000 1.132 455 D CA -0.353 53.644 54.000 -0.007 0.000 0.907 455 D CB 0.532 41.289 40.800 -0.071 0.000 1.195 455 D HN 0.131 nan 8.370 nan 0.000 0.429 456 F N 1.803 121.698 119.950 -0.093 0.000 2.495 456 F HA 0.248 4.776 4.527 0.001 0.000 0.365 456 F C -0.027 175.720 175.800 -0.089 0.000 1.090 456 F CA -0.175 57.786 58.000 -0.065 0.000 1.235 456 F CB 0.437 39.400 39.000 -0.063 0.000 1.119 456 F HN 0.032 nan 8.300 nan 0.000 0.562 457 V N 4.550 124.101 119.914 -0.605 0.000 2.733 457 V HA 0.462 4.582 4.120 0.001 0.000 0.306 457 V C -1.226 174.408 176.094 -0.767 0.000 1.084 457 V CA -0.993 61.002 62.300 -0.508 0.000 0.905 457 V CB 1.454 33.122 31.823 -0.258 0.000 1.010 457 V HN 0.876 nan 8.190 nan 0.000 0.424 458 N N 2.946 121.278 118.700 -0.613 0.000 2.314 458 N HA 0.653 5.393 4.740 0.001 0.000 0.304 458 N C -1.979 173.279 175.510 -0.420 0.000 1.073 458 N CA -0.360 52.476 53.050 -0.356 0.000 0.822 458 N CB 2.287 40.780 38.487 0.010 0.000 1.280 458 N HN 0.636 nan 8.380 nan 0.000 0.489 459 F N 0.377 120.399 119.950 0.121 0.000 2.551 459 F HA 0.449 4.976 4.527 0.001 0.000 0.316 459 F C 0.091 176.012 175.800 0.203 0.000 1.089 459 F CA -0.525 57.600 58.000 0.207 0.000 0.915 459 F CB 2.253 41.320 39.000 0.111 0.000 1.186 459 F HN 0.225 nan 8.300 nan 0.000 0.456 460 S N 1.992 117.981 115.700 0.482 0.000 2.547 460 S HA 0.334 4.804 4.470 0.001 0.000 0.281 460 S C -0.502 174.347 174.600 0.416 0.000 1.118 460 S CA -1.145 57.286 58.200 0.385 0.000 0.947 460 S CB 1.537 64.950 63.200 0.356 0.000 1.053 460 S HN 0.767 nan 8.310 nan 0.000 0.482 461 N N 0.817 119.681 118.700 0.273 0.000 2.741 461 N HA -0.208 4.532 4.740 0.001 0.000 0.250 461 N C 1.206 176.827 175.510 0.185 0.000 1.115 461 N CA 0.999 54.179 53.050 0.217 0.000 0.724 461 N CB -1.583 37.054 38.487 0.251 0.000 1.090 461 N HN 0.807 nan 8.380 nan 0.000 0.558 462 S N -0.033 115.729 115.700 0.103 0.000 2.399 462 S HA 0.072 4.543 4.470 0.001 0.000 0.231 462 S C 1.513 175.992 174.600 -0.202 0.000 1.022 462 S CA 1.792 59.893 58.200 -0.164 0.000 0.983 462 S CB -0.167 62.848 63.200 -0.309 0.000 0.803 462 S HN 1.432 nan 8.310 nan 0.000 0.480 463 A N -0.838 121.923 122.820 -0.097 0.000 2.847 463 A HA -0.101 4.220 4.320 0.001 0.000 0.263 463 A C 0.294 177.799 177.584 -0.132 0.000 1.391 463 A CA 0.857 52.844 52.037 -0.085 0.000 0.866 463 A CB -2.391 16.581 19.000 -0.047 0.000 1.057 463 A HN 1.043 nan 8.150 nan 0.000 0.673 464 V N 1.523 121.323 119.914 -0.190 0.000 2.349 464 V HA 0.380 4.501 4.120 0.001 0.000 0.284 464 V C 0.765 176.748 176.094 -0.184 0.000 1.014 464 V CA 0.033 62.211 62.300 -0.204 0.000 0.826 464 V CB 1.370 33.016 31.823 -0.294 0.000 1.009 464 V HN 0.497 nan 8.190 nan 0.000 0.431 465 T N 4.116 118.590 114.554 -0.134 0.000 2.891 465 T HA 0.312 4.662 4.350 0.001 0.000 0.296 465 T C 1.384 175.998 174.700 -0.142 0.000 1.025 465 T CA 1.545 63.576 62.100 -0.115 0.000 1.149 465 T CB 0.408 69.224 68.868 -0.086 0.000 1.007 465 T HN 1.427 nan 8.240 nan 0.000 0.528 466 G N 2.193 110.914 108.800 -0.132 0.000 2.299 466 G HA2 -0.266 3.695 3.960 0.001 0.000 0.237 466 G HA3 -0.266 3.695 3.960 0.001 0.000 0.237 466 G C 0.264 175.042 174.900 -0.203 0.000 1.027 466 G CA -0.085 44.926 45.100 -0.147 0.000 0.619 466 G HN 0.819 nan 8.290 nan 0.000 0.513 467 V N 1.746 121.489 119.914 -0.285 0.000 2.322 467 V HA 0.685 4.806 4.120 0.001 0.000 0.258 467 V C 0.353 176.256 176.094 -0.317 0.000 1.074 467 V CA 0.604 62.612 62.300 -0.486 0.000 0.909 467 V CB 0.762 32.144 31.823 -0.735 0.000 1.090 467 V HN 0.889 nan 8.190 nan 0.000 0.486 468 S N 3.528 119.152 115.700 -0.127 0.000 2.570 468 S HA 0.667 5.138 4.470 0.001 0.000 0.286 468 S C -0.055 174.628 174.600 0.138 0.000 1.143 468 S CA 0.625 58.861 58.200 0.060 0.000 0.921 468 S CB 1.236 64.438 63.200 0.003 0.000 1.108 468 S HN 1.883 nan 8.310 nan 0.000 0.456 469 G N 4.057 112.974 108.800 0.195 0.000 2.562 469 G HA2 -0.161 3.799 3.960 0.001 0.000 0.250 469 G HA3 -0.161 3.799 3.960 0.001 0.000 0.250 469 G C -1.179 173.791 174.900 0.117 0.000 1.269 469 G CA 0.189 45.373 45.100 0.141 0.000 0.919 469 G HN 0.823 nan 8.290 nan 0.000 0.574 470 D N 1.504 121.933 120.400 0.048 0.000 2.343 470 D HA 0.623 5.264 4.640 0.001 0.000 0.255 470 D C 0.894 177.134 176.300 -0.099 0.000 1.187 470 D CA 0.761 54.708 54.000 -0.088 0.000 0.875 470 D CB 0.692 41.522 40.800 0.049 0.000 1.136 470 D HN 0.540 nan 8.370 nan 0.000 0.469 471 M N 0.443 119.912 119.600 -0.218 0.000 2.755 471 M HA 0.404 4.885 4.480 0.001 0.000 0.273 471 M C -0.252 175.969 176.300 -0.132 0.000 1.278 471 M CA -0.899 54.367 55.300 -0.056 0.000 0.819 471 M CB 2.427 35.122 32.600 0.159 0.000 1.694 471 M HN 0.260 nan 8.290 nan 0.000 0.460 472 T N -1.626 112.924 114.554 -0.007 0.000 2.916 472 T HA 0.670 5.021 4.350 0.001 0.000 0.292 472 T C -0.516 174.240 174.700 0.093 0.000 1.055 472 T CA -0.865 61.239 62.100 0.006 0.000 1.009 472 T CB 1.375 70.255 68.868 0.019 0.000 1.118 472 T HN 0.383 nan 8.240 nan 0.000 0.497 473 V N 2.633 122.581 119.914 0.058 0.000 2.458 473 V HA 0.372 4.493 4.120 0.001 0.000 0.287 473 V C 1.532 177.719 176.094 0.155 0.000 1.009 473 V CA 0.571 62.937 62.300 0.110 0.000 1.091 473 V CB -0.269 31.503 31.823 -0.084 0.000 0.960 473 V HN 1.196 nan 8.190 nan 0.000 0.476 474 A N 4.787 127.744 122.820 0.227 0.000 1.887 474 A HA 0.221 4.542 4.320 0.001 0.000 0.212 474 A C 1.142 178.828 177.584 0.171 0.000 1.198 474 A CA 1.211 53.379 52.037 0.218 0.000 0.628 474 A CB 0.065 19.277 19.000 0.353 0.000 0.847 474 A HN 0.852 nan 8.150 nan 0.000 0.449 475 T N -3.155 111.505 114.554 0.177 0.000 2.896 475 T HA 0.538 4.889 4.350 0.001 0.000 0.297 475 T C -0.807 174.012 174.700 0.198 0.000 1.108 475 T CA -0.068 62.114 62.100 0.136 0.000 1.004 475 T CB 1.316 70.216 68.868 0.054 0.000 1.159 475 T HN 1.074 nan 8.240 nan 0.000 0.499 476 V N 1.246 121.278 119.914 0.198 0.000 2.357 476 V HA 0.575 4.696 4.120 0.001 0.000 0.284 476 V C 0.693 176.917 176.094 0.215 0.000 1.018 476 V CA -0.609 61.850 62.300 0.266 0.000 0.841 476 V CB 0.235 32.264 31.823 0.345 0.000 0.991 476 V HN 0.965 nan 8.190 nan 0.000 0.437 477 I N 3.728 124.426 120.570 0.213 0.000 2.277 477 I HA 0.133 4.304 4.170 0.001 0.000 0.243 477 I C 0.848 177.059 176.117 0.157 0.000 1.094 477 I CA 1.601 62.991 61.300 0.150 0.000 1.393 477 I CB 0.013 38.086 38.000 0.122 0.000 1.078 477 I HN 1.017 nan 8.210 nan 0.000 0.417 478 D N -1.759 118.763 120.400 0.204 0.000 2.851 478 D HA 0.047 4.688 4.640 0.001 0.000 0.339 478 D C 0.406 176.811 176.300 0.175 0.000 1.347 478 D CA -0.716 53.382 54.000 0.162 0.000 0.888 478 D CB 0.206 41.077 40.800 0.118 0.000 1.431 478 D HN -0.030 nan 8.370 nan 0.000 0.509 479 K N -0.850 119.576 120.400 0.043 0.000 2.281 479 K HA -0.139 4.182 4.320 0.001 0.000 0.203 479 K C -0.142 176.356 176.600 -0.171 0.000 1.046 479 K CA 1.546 57.745 56.287 -0.148 0.000 0.938 479 K CB -0.266 32.136 32.500 -0.165 0.000 0.737 479 K HN 0.258 nan 8.250 nan 0.000 0.458 480 D N -0.001 120.438 120.400 0.065 0.000 2.398 480 D HA 0.115 4.755 4.640 0.001 0.000 0.210 480 D C -0.620 175.795 176.300 0.192 0.000 1.094 480 D CA 0.092 54.139 54.000 0.077 0.000 0.839 480 D CB 0.325 41.161 40.800 0.061 0.000 0.963 480 D HN 0.253 nan 8.370 nan 0.000 0.506 481 N N -0.148 118.771 118.700 0.365 0.000 2.264 481 N HA 0.504 5.244 4.740 0.001 0.000 0.288 481 N C -1.152 174.550 175.510 0.320 0.000 1.094 481 N CA -0.808 52.402 53.050 0.266 0.000 0.817 481 N CB 2.157 40.770 38.487 0.210 0.000 1.604 481 N HN -0.104 nan 8.380 nan 0.000 0.473 482 F N -1.876 118.084 119.950 0.018 0.000 2.685 482 F HA 0.809 5.337 4.527 0.001 0.000 0.315 482 F C -0.588 175.228 175.800 0.027 0.000 1.126 482 F CA -1.028 56.961 58.000 -0.018 0.000 0.950 482 F CB 1.037 39.924 39.000 -0.189 0.000 1.360 482 F HN 0.328 nan 8.300 nan 0.000 0.469 483 T N 0.173 114.852 114.554 0.209 0.000 2.918 483 T HA 0.775 5.125 4.350 0.001 0.000 0.286 483 T C -0.729 174.136 174.700 0.274 0.000 1.026 483 T CA -0.370 61.807 62.100 0.129 0.000 1.031 483 T CB 1.481 70.437 68.868 0.147 0.000 1.046 483 T HN 1.546 nan 8.240 nan 0.000 0.479 484 V N 0.745 120.754 119.914 0.158 0.000 2.769 484 V HA 0.770 4.891 4.120 0.001 0.000 0.312 484 V C -0.549 175.574 176.094 0.049 0.000 1.061 484 V CA -1.356 61.034 62.300 0.150 0.000 0.931 484 V CB 1.449 33.320 31.823 0.081 0.000 1.010 484 V HN 0.913 nan 8.190 nan 0.000 0.433 485 L N 4.749 125.942 121.223 -0.050 0.000 2.282 485 L HA 0.545 4.885 4.340 0.001 0.000 0.287 485 L C 0.790 177.493 176.870 -0.279 0.000 1.075 485 L CA 0.665 55.272 54.840 -0.388 0.000 0.839 485 L CB 0.414 42.246 42.059 -0.379 0.000 1.219 485 L HN 1.162 nan 8.230 nan 0.000 0.434 486 T N 2.319 116.697 114.554 -0.293 0.000 2.828 486 T HA 0.400 4.751 4.350 0.001 0.000 0.290 486 T C -1.744 172.843 174.700 -0.188 0.000 1.019 486 T CA -1.378 60.596 62.100 -0.210 0.000 1.031 486 T CB 0.928 69.678 68.868 -0.197 0.000 1.001 486 T HN 0.504 nan 8.240 nan 0.000 0.531 487 P HA 0.143 nan 4.420 nan 0.000 0.242 487 P C -0.027 177.217 177.300 -0.093 0.000 1.197 487 P CA 0.245 63.283 63.100 -0.102 0.000 0.765 487 P CB -0.120 31.537 31.700 -0.071 0.000 0.936 488 N N -1.019 117.618 118.700 -0.104 0.000 2.825 488 N HA 0.253 4.994 4.740 0.001 0.000 0.253 488 N C -1.368 174.092 175.510 -0.084 0.000 1.426 488 N CA -0.838 52.163 53.050 -0.081 0.000 0.851 488 N CB 1.554 40.001 38.487 -0.067 0.000 1.470 488 N HN -0.114 nan 8.380 nan 0.000 0.517 489 Q N 0.051 119.814 119.800 -0.062 0.000 2.413 489 Q HA 0.542 4.882 4.340 0.001 0.000 0.276 489 Q C -1.397 174.576 176.000 -0.044 0.000 1.099 489 Q CA -0.918 54.853 55.803 -0.053 0.000 0.814 489 Q CB 2.092 30.809 28.738 -0.036 0.000 1.379 489 Q HN 0.450 nan 8.270 nan 0.000 0.436 490 Q N 0.340 120.114 119.800 -0.043 0.000 2.297 490 Q HA 0.376 4.717 4.340 0.001 0.000 0.269 490 Q C 0.156 176.139 176.000 -0.030 0.000 1.051 490 Q CA -0.403 55.378 55.803 -0.038 0.000 0.869 490 Q CB 1.842 30.553 28.738 -0.045 0.000 1.346 490 Q HN 0.864 nan 8.270 nan 0.000 0.457 491 T N -3.484 111.054 114.554 -0.026 0.000 3.122 491 T HA 0.263 4.613 4.350 0.001 0.000 0.250 491 T C 0.384 175.071 174.700 -0.021 0.000 1.067 491 T CA 0.119 62.206 62.100 -0.020 0.000 0.966 491 T CB -0.061 68.797 68.868 -0.017 0.000 1.002 491 T HN 0.424 nan 8.240 nan 0.000 0.542 492 S N 0.134 115.818 115.700 -0.025 0.000 2.599 492 S HA 0.572 5.042 4.470 0.001 0.000 0.287 492 S C -1.493 173.088 174.600 -0.032 0.000 1.105 492 S CA -0.906 57.279 58.200 -0.025 0.000 0.899 492 S CB 1.805 64.990 63.200 -0.024 0.000 1.100 492 S HN 0.050 nan 8.310 nan 0.000 0.482 493 D N 1.198 121.579 120.400 -0.031 0.000 2.372 493 D HA 0.405 5.045 4.640 0.001 0.000 0.243 493 D C -0.405 175.867 176.300 -0.046 0.000 1.121 493 D CA 0.228 54.206 54.000 -0.037 0.000 0.898 493 D CB 0.547 41.327 40.800 -0.032 0.000 1.202 493 D HN 0.510 nan 8.370 nan 0.000 0.428 494 L N 2.241 123.428 121.223 -0.060 0.000 2.365 494 L HA 0.435 4.776 4.340 0.001 0.000 0.273 494 L C -0.087 176.733 176.870 -0.083 0.000 1.000 494 L CA -0.750 54.045 54.840 -0.075 0.000 0.819 494 L CB 1.616 43.618 42.059 -0.095 0.000 1.284 494 L HN 0.221 nan 8.230 nan 0.000 0.418 495 N N 2.076 120.727 118.700 -0.081 0.000 2.699 495 N HA 0.048 4.788 4.740 0.001 0.000 0.271 495 N C -0.541 174.924 175.510 -0.074 0.000 1.216 495 N CA -0.408 52.594 53.050 -0.079 0.000 0.844 495 N CB 0.982 39.436 38.487 -0.054 0.000 1.462 495 N HN 0.649 nan 8.380 nan 0.000 0.555 496 N N 2.169 120.805 118.700 -0.106 0.000 2.413 496 N HA 0.037 4.778 4.740 0.001 0.000 0.207 496 N C 0.095 175.593 175.510 -0.020 0.000 1.206 496 N CA -0.224 52.771 53.050 -0.091 0.000 0.832 496 N CB -0.314 38.060 38.487 -0.188 0.000 1.037 496 N HN 0.488 nan 8.380 nan 0.000 0.467 497 A N -0.240 122.576 122.820 -0.006 0.000 2.603 497 A HA 0.378 4.699 4.320 0.001 0.000 0.235 497 A C 1.605 179.212 177.584 0.039 0.000 1.035 497 A CA 0.707 52.760 52.037 0.027 0.000 0.755 497 A CB -0.870 18.135 19.000 0.009 0.000 0.954 497 A HN 1.089 nan 8.150 nan 0.000 0.511 498 G N 1.565 110.401 108.800 0.061 0.000 2.179 498 G HA2 -0.235 3.725 3.960 0.001 0.000 0.260 498 G HA3 -0.235 3.725 3.960 0.001 0.000 0.260 498 G C 0.191 175.132 174.900 0.069 0.000 0.977 498 G CA 0.811 45.944 45.100 0.055 0.000 0.641 498 G HN 0.910 nan 8.290 nan 0.000 0.533 499 K N 0.638 121.097 120.400 0.099 0.000 2.182 499 K HA 0.435 4.755 4.320 0.001 0.000 0.262 499 K C -0.668 176.053 176.600 0.202 0.000 0.957 499 K CA -0.954 55.404 56.287 0.119 0.000 0.842 499 K CB 0.978 33.532 32.500 0.090 0.000 1.099 499 K HN 0.094 nan 8.250 nan 0.000 0.438 500 N N 3.254 122.034 118.700 0.134 0.000 2.472 500 N HA 0.294 5.034 4.740 0.001 0.000 0.277 500 N C -0.531 175.037 175.510 0.096 0.000 1.081 500 N CA -0.265 52.826 53.050 0.069 0.000 0.973 500 N CB 0.686 39.168 38.487 -0.009 0.000 1.105 500 N HN 0.578 nan 8.380 nan 0.000 0.470 501 W N 0.600 121.768 121.300 -0.221 0.000 3.098 501 W HA 0.505 5.166 4.660 0.001 0.000 0.367 501 W C -1.323 174.891 176.519 -0.509 0.000 1.163 501 W CA -0.658 56.510 57.345 -0.295 0.000 1.113 501 W CB 0.170 29.608 29.460 -0.037 0.000 1.501 501 W HN 0.393 nan 8.180 nan 0.000 0.598 502 H N 0.539 119.762 119.070 0.256 0.000 2.717 502 H HA 0.696 5.252 4.556 0.001 0.000 0.366 502 H C -0.556 174.832 175.328 0.101 0.000 1.132 502 H CA -0.857 55.197 56.048 0.010 0.000 1.180 502 H CB 2.939 32.779 29.762 0.131 0.000 1.678 502 H HN 0.277 nan 8.280 nan 0.000 0.537 503 M N 1.003 120.573 119.600 -0.050 0.000 2.644 503 M HA 0.554 5.034 4.480 0.001 0.000 0.304 503 M C -0.171 176.078 176.300 -0.086 0.000 1.215 503 M CA -0.140 55.122 55.300 -0.064 0.000 0.871 503 M CB 2.199 34.755 32.600 -0.074 0.000 1.740 503 M HN 0.998 nan 8.290 nan 0.000 0.464 504 G N 0.645 109.419 108.800 -0.043 0.000 2.834 504 G HA2 -0.101 3.859 3.960 0.001 0.000 0.217 504 G HA3 -0.101 3.859 3.960 0.001 0.000 0.217 504 G C -0.245 174.691 174.900 0.060 0.000 0.974 504 G CA 0.091 45.160 45.100 -0.052 0.000 0.826 504 G HN 0.859 nan 8.290 nan 0.000 0.584 505 T N -1.688 112.925 114.554 0.098 0.000 2.948 505 T HA 0.789 5.140 4.350 0.001 0.000 0.285 505 T C -0.207 174.593 174.700 0.167 0.000 1.019 505 T CA -0.095 62.106 62.100 0.169 0.000 1.013 505 T CB 2.334 71.243 68.868 0.068 0.000 1.117 505 T HN 1.316 nan 8.240 nan 0.000 0.533 506 S N 0.300 116.071 115.700 0.119 0.000 2.649 506 S HA 0.343 4.813 4.470 0.001 0.000 0.274 506 S C 0.025 174.579 174.600 -0.077 0.000 1.176 506 S CA -0.860 57.302 58.200 -0.064 0.000 0.988 506 S CB 0.812 63.729 63.200 -0.471 0.000 1.071 506 S HN 0.754 nan 8.310 nan 0.000 0.478 507 F N 4.604 124.418 119.950 -0.226 0.000 2.126 507 F HA -0.076 4.452 4.527 0.001 0.000 0.299 507 F C 2.114 177.613 175.800 -0.501 0.000 1.096 507 F CA 1.895 59.646 58.000 -0.414 0.000 1.255 507 F CB 0.020 38.731 39.000 -0.481 0.000 0.997 507 F HN 0.824 nan 8.300 nan 0.000 0.479 508 H N -0.324 118.649 119.070 -0.161 0.000 2.470 508 H HA 0.056 4.612 4.556 0.001 0.000 0.289 508 H C 1.147 176.290 175.328 -0.309 0.000 1.033 508 H CA 0.914 56.810 56.048 -0.253 0.000 1.331 508 H CB -0.002 29.703 29.762 -0.094 0.000 1.414 508 H HN 0.284 nan 8.280 nan 0.000 0.545 509 K N 1.229 121.487 120.400 -0.237 0.000 2.397 509 K HA 0.218 4.538 4.320 0.001 0.000 0.202 509 K C 0.127 176.658 176.600 -0.115 0.000 1.022 509 K CA 0.007 56.173 56.287 -0.201 0.000 1.141 509 K CB 1.048 33.342 32.500 -0.343 0.000 0.857 509 K HN -0.050 nan 8.250 nan 0.000 0.514 510 S N 3.097 118.664 115.700 -0.221 0.000 2.475 510 S HA 0.385 4.855 4.470 0.001 0.000 0.298 510 S C -2.420 171.978 174.600 -0.337 0.000 1.119 510 S CA -1.236 56.845 58.200 -0.198 0.000 1.085 510 S CB 1.894 64.975 63.200 -0.197 0.000 1.028 510 S HN 0.077 nan 8.310 nan 0.000 0.489 511 P HA 0.185 nan 4.420 nan 0.000 0.277 511 P C -0.892 176.243 177.300 -0.276 0.000 1.240 511 P CA -0.667 62.285 63.100 -0.246 0.000 0.798 511 P CB 0.493 32.124 31.700 -0.115 0.000 0.979 512 W N 1.535 122.645 121.300 -0.317 0.000 2.231 512 W HA 0.146 4.806 4.660 0.001 0.000 0.341 512 W C 1.521 177.876 176.519 -0.274 0.000 1.298 512 W CA -0.107 57.033 57.345 -0.342 0.000 1.266 512 W CB 0.212 29.358 29.460 -0.524 0.000 1.172 512 W HN 0.264 nan 8.180 nan 0.000 0.568 513 R N 3.605 124.158 120.500 0.089 0.000 2.221 513 R HA 0.227 4.567 4.340 0.001 0.000 0.327 513 R C -0.677 175.594 176.300 -0.048 0.000 1.033 513 R CA -0.411 55.701 56.100 0.019 0.000 0.887 513 R CB 0.358 30.709 30.300 0.084 0.000 1.057 513 R HN 0.414 nan 8.270 nan 0.000 0.455 514 K N 3.263 123.561 120.400 -0.170 0.000 2.394 514 K HA 0.232 4.553 4.320 0.001 0.000 0.260 514 K C -1.100 175.470 176.600 -0.049 0.000 0.967 514 K CA -0.547 55.597 56.287 -0.238 0.000 0.855 514 K CB 2.260 34.421 32.500 -0.566 0.000 1.101 514 K HN 0.467 nan 8.250 nan 0.000 0.433 515 T N 1.979 116.572 114.554 0.066 0.000 2.770 515 T HA 0.068 4.418 4.350 0.001 0.000 0.297 515 T C -0.683 174.084 174.700 0.112 0.000 0.997 515 T CA -0.557 61.590 62.100 0.078 0.000 0.949 515 T CB 0.714 69.644 68.868 0.103 0.000 0.941 515 T HN 0.372 nan 8.240 nan 0.000 0.457 516 D N 3.039 123.491 120.400 0.086 0.000 2.343 516 D HA 0.145 4.785 4.640 0.001 0.000 0.255 516 D C 0.693 177.046 176.300 0.087 0.000 1.187 516 D CA -0.298 53.758 54.000 0.094 0.000 0.875 516 D CB 0.718 41.563 40.800 0.075 0.000 1.136 516 D HN 0.439 nan 8.370 nan 0.000 0.469 517 L N 3.052 124.325 121.223 0.083 0.000 2.640 517 L HA 0.306 4.647 4.340 0.001 0.000 0.230 517 L C 1.550 178.453 176.870 0.056 0.000 1.123 517 L CA 0.062 54.950 54.840 0.081 0.000 0.900 517 L CB -0.518 41.555 42.059 0.024 0.000 1.146 517 L HN 0.674 nan 8.230 nan 0.000 0.484 518 G N 1.236 110.065 108.800 0.048 0.000 2.598 518 G HA2 -0.322 3.638 3.960 0.001 0.000 0.244 518 G HA3 -0.322 3.638 3.960 0.001 0.000 0.244 518 G C -0.625 174.286 174.900 0.019 0.000 1.302 518 G CA -0.324 44.796 45.100 0.035 0.000 0.903 518 G HN 0.018 nan 8.290 nan 0.000 0.575 519 L N 1.481 122.712 121.223 0.013 0.000 2.358 519 L HA 0.514 4.855 4.340 0.001 0.000 0.274 519 L C 1.056 177.927 176.870 0.002 0.000 1.136 519 L CA -0.572 54.271 54.840 0.004 0.000 0.970 519 L CB -0.496 41.565 42.059 0.003 0.000 1.314 519 L HN 0.423 nan 8.230 nan 0.000 0.427 520 I N 7.089 127.650 120.570 -0.015 0.000 2.943 520 I HA -0.017 4.153 4.170 0.001 0.000 0.296 520 I C -1.554 174.571 176.117 0.012 0.000 1.220 520 I CA -1.047 60.236 61.300 -0.029 0.000 1.409 520 I CB -0.192 37.723 38.000 -0.140 0.000 1.374 520 I HN 0.453 nan 8.210 nan 0.000 0.545 521 P HA -0.020 nan 4.420 nan 0.000 0.271 521 P C 0.236 177.582 177.300 0.076 0.000 1.218 521 P CA 0.071 63.196 63.100 0.042 0.000 0.780 521 P CB 1.152 32.872 31.700 0.034 0.000 0.901 522 S N -0.417 115.331 115.700 0.080 0.000 3.812 522 S HA -0.065 4.406 4.470 0.001 0.000 0.341 522 S C -0.276 174.425 174.600 0.169 0.000 1.057 522 S CA 0.512 58.782 58.200 0.116 0.000 1.015 522 S CB -1.311 61.966 63.200 0.129 0.000 0.893 522 S HN 0.376 nan 8.310 nan 0.000 0.476 523 V N 0.745 120.736 119.914 0.129 0.000 2.686 523 V HA 0.493 4.614 4.120 0.001 0.000 0.306 523 V C 0.930 177.046 176.094 0.037 0.000 1.065 523 V CA -0.321 62.071 62.300 0.153 0.000 0.894 523 V CB 2.120 34.048 31.823 0.175 0.000 1.004 523 V HN 0.391 nan 8.190 nan 0.000 0.424 524 T N 2.195 116.705 114.554 -0.074 0.000 3.045 524 T HA 0.258 4.609 4.350 0.001 0.000 0.239 524 T C 0.255 174.845 174.700 -0.184 0.000 1.008 524 T CA 0.491 62.483 62.100 -0.179 0.000 1.143 524 T CB 0.347 69.031 68.868 -0.306 0.000 0.894 524 T HN 0.664 nan 8.240 nan 0.000 0.451 525 E N 0.415 120.471 120.200 -0.241 0.000 2.343 525 E HA 0.530 4.880 4.350 0.001 0.000 0.278 525 E C -1.720 174.971 176.600 0.152 0.000 0.910 525 E CA -0.461 55.925 56.400 -0.024 0.000 0.757 525 E CB 3.111 32.842 29.700 0.052 0.000 1.218 525 E HN -0.075 nan 8.360 nan 0.000 0.435 526 V N 2.443 122.500 119.914 0.240 0.000 2.472 526 V HA 0.430 4.551 4.120 0.001 0.000 0.290 526 V C -0.665 175.651 176.094 0.371 0.000 1.037 526 V CA -0.442 62.059 62.300 0.335 0.000 0.908 526 V CB 1.256 33.266 31.823 0.313 0.000 0.985 526 V HN 0.690 nan 8.190 nan 0.000 0.454 527 H N 2.645 121.879 119.070 0.273 0.000 3.026 527 H HA 0.582 5.139 4.556 0.001 0.000 0.352 527 H C -0.506 174.991 175.328 0.281 0.000 1.090 527 H CA 0.639 56.846 56.048 0.265 0.000 1.268 527 H CB 1.615 31.537 29.762 0.267 0.000 1.816 527 H HN 0.879 nan 8.280 nan 0.000 0.518 528 S N 2.544 118.220 115.700 -0.040 0.000 3.661 528 S HA -0.149 4.322 4.470 0.001 0.000 0.772 528 S C -1.491 173.300 174.600 0.319 0.000 1.194 528 S CA 0.300 58.574 58.200 0.123 0.000 1.148 528 S CB -0.555 62.794 63.200 0.248 0.000 0.564 528 S HN 0.737 nan 8.310 nan 0.000 0.482 529 F N 1.646 121.677 119.950 0.136 0.000 2.630 529 F HA 0.630 5.157 4.527 0.001 0.000 0.325 529 F C -0.501 175.385 175.800 0.144 0.000 1.184 529 F CA 0.406 58.486 58.000 0.134 0.000 1.011 529 F CB 1.325 40.343 39.000 0.030 0.000 1.268 529 F HN 0.891 nan 8.300 nan 0.000 0.480 530 A N 4.174 126.961 122.820 -0.056 0.000 2.323 530 A HA 0.560 4.880 4.320 0.001 0.000 0.305 530 A C -0.510 177.037 177.584 -0.061 0.000 1.275 530 A CA -0.583 51.487 52.037 0.056 0.000 0.804 530 A CB 0.521 19.594 19.000 0.122 0.000 1.152 530 A HN 0.643 nan 8.150 nan 0.000 0.487 531 T N 3.763 118.396 114.554 0.132 0.000 2.829 531 T HA 0.110 4.460 4.350 0.001 0.000 0.293 531 T C 1.387 176.115 174.700 0.046 0.000 0.970 531 T CA 0.103 62.305 62.100 0.170 0.000 1.168 531 T CB 0.060 69.101 68.868 0.288 0.000 0.911 531 T HN 0.430 nan 8.240 nan 0.000 0.535 532 I N 2.384 122.912 120.570 -0.069 0.000 2.385 532 I HA 0.157 4.328 4.170 0.001 0.000 0.244 532 I C 1.232 177.304 176.117 -0.075 0.000 1.089 532 I CA 1.054 62.114 61.300 -0.401 0.000 1.410 532 I CB -0.658 37.073 38.000 -0.447 0.000 1.117 532 I HN 0.758 nan 8.210 nan 0.000 0.429 533 D N -2.139 118.301 120.400 0.067 0.000 3.557 533 D HA 0.019 4.659 4.640 0.001 0.000 0.331 533 D C 0.382 176.776 176.300 0.156 0.000 1.442 533 D CA -0.489 53.586 54.000 0.125 0.000 0.971 533 D CB 0.091 40.954 40.800 0.105 0.000 1.423 533 D HN -0.206 nan 8.370 nan 0.000 0.604 534 N N -1.316 117.459 118.700 0.126 0.000 2.512 534 N HA 0.032 4.773 4.740 0.001 0.000 0.183 534 N C 0.292 175.875 175.510 0.121 0.000 1.073 534 N CA 0.900 54.011 53.050 0.102 0.000 0.911 534 N CB -0.016 38.496 38.487 0.042 0.000 0.964 534 N HN 0.299 nan 8.380 nan 0.000 0.447 535 N N -1.456 117.346 118.700 0.170 0.000 2.257 535 N HA 0.227 4.967 4.740 0.001 0.000 0.200 535 N C 0.456 176.132 175.510 0.276 0.000 1.163 535 N CA 0.456 53.645 53.050 0.233 0.000 0.891 535 N CB 1.521 40.092 38.487 0.139 0.000 1.067 535 N HN 0.170 nan 8.380 nan 0.000 0.497 536 G N 0.299 109.225 108.800 0.211 0.000 2.561 536 G HA2 0.545 4.505 3.960 0.001 0.000 0.310 536 G HA3 0.545 4.505 3.960 0.001 0.000 0.310 536 G C -2.004 172.997 174.900 0.169 0.000 1.292 536 G CA -0.713 44.431 45.100 0.073 0.000 0.811 536 G HN 0.087 nan 8.290 nan 0.000 0.482 537 F N -2.431 117.548 119.950 0.048 0.000 2.773 537 F HA 0.890 5.418 4.527 0.001 0.000 0.314 537 F C -0.480 175.319 175.800 -0.002 0.000 1.160 537 F CA -1.279 56.616 58.000 -0.176 0.000 0.920 537 F CB 1.173 39.789 39.000 -0.640 0.000 1.323 537 F HN 1.160 nan 8.300 nan 0.000 0.457 538 A N 2.004 124.871 122.820 0.078 0.000 2.374 538 A HA 0.905 5.226 4.320 0.001 0.000 0.317 538 A C -1.226 176.465 177.584 0.177 0.000 1.094 538 A CA -0.910 51.240 52.037 0.189 0.000 0.765 538 A CB 1.535 20.591 19.000 0.094 0.000 1.268 538 A HN 0.813 nan 8.150 nan 0.000 0.438 539 M N 1.665 121.476 119.600 0.351 0.000 2.393 539 M HA 0.478 4.958 4.480 0.001 0.000 0.316 539 M C 0.575 177.089 176.300 0.356 0.000 1.087 539 M CA -0.404 55.113 55.300 0.361 0.000 0.937 539 M CB 2.279 35.166 32.600 0.480 0.000 1.668 539 M HN 0.862 nan 8.290 nan 0.000 0.438 540 G N 1.610 110.611 108.800 0.335 0.000 2.572 540 G HA2 0.519 4.479 3.960 0.001 0.000 0.261 540 G HA3 0.519 4.479 3.960 0.001 0.000 0.261 540 G C -1.460 173.644 174.900 0.340 0.000 1.197 540 G CA -0.027 45.255 45.100 0.304 0.000 0.870 540 G HN 0.799 nan 8.290 nan 0.000 0.548 541 Y N -0.896 119.429 120.300 0.041 0.000 2.656 541 Y HA 0.683 5.234 4.550 0.000 0.000 0.334 541 Y C -0.968 174.963 175.900 0.052 0.000 1.179 541 Y CA -1.533 56.575 58.100 0.014 0.000 1.050 541 Y CB 1.065 39.412 38.460 -0.188 0.000 1.308 541 Y HN 1.065 nan 8.280 nan 0.000 0.456 542 H N 0.117 119.090 119.070 -0.161 0.000 3.016 542 H HA 0.618 5.174 4.556 0.000 0.000 0.362 542 H C -1.920 173.449 175.328 0.069 0.000 1.233 542 H CA -0.919 54.980 56.048 -0.248 0.000 1.124 542 H CB 2.231 31.897 29.762 -0.161 0.000 1.850 542 H HN 0.770 nan 8.280 nan 0.000 0.549 543 Q N 1.782 121.641 119.800 0.099 0.000 2.325 543 Q HA 0.430 4.770 4.340 0.001 0.000 0.270 543 Q C -0.608 175.515 176.000 0.205 0.000 1.020 543 Q CA -0.213 55.652 55.803 0.103 0.000 0.785 543 Q CB 1.686 30.519 28.738 0.157 0.000 1.259 543 Q HN 1.131 nan 8.270 nan 0.000 0.452 544 G N 3.122 112.049 108.800 0.212 0.000 3.979 544 G HA2 0.068 4.029 3.960 0.001 0.000 0.287 544 G HA3 0.068 4.029 3.960 0.001 0.000 0.287 544 G C 0.216 175.184 174.900 0.112 0.000 1.011 544 G CA -0.129 45.088 45.100 0.195 0.000 0.818 544 G HN 0.517 nan 8.290 nan 0.000 0.470 545 D N 0.366 120.814 120.400 0.079 0.000 2.183 545 D HA 0.071 4.711 4.640 0.001 0.000 0.205 545 D C 1.239 177.564 176.300 0.041 0.000 0.962 545 D CA 1.128 55.157 54.000 0.050 0.000 0.849 545 D CB 0.825 41.643 40.800 0.030 0.000 0.978 545 D HN 0.301 nan 8.370 nan 0.000 0.488 546 V N -1.701 118.240 119.914 0.045 0.000 3.078 546 V HA 0.765 4.886 4.120 0.001 0.000 0.311 546 V C -0.360 175.757 176.094 0.040 0.000 1.138 546 V CA -1.689 60.633 62.300 0.037 0.000 1.007 546 V CB 1.556 33.398 31.823 0.031 0.000 1.045 546 V HN 0.024 nan 8.190 nan 0.000 0.432 547 A N 3.029 125.868 122.820 0.031 0.000 2.425 547 A HA 0.721 5.041 4.320 0.001 0.000 0.249 547 A C -1.645 175.959 177.584 0.033 0.000 1.084 547 A CA -0.819 51.236 52.037 0.029 0.000 0.781 547 A CB -0.446 18.566 19.000 0.020 0.000 1.019 547 A HN 0.872 nan 8.150 nan 0.000 0.490 548 P HA 0.323 nan 4.420 nan 0.000 0.288 548 P C -0.438 176.889 177.300 0.046 0.000 1.267 548 P CA -0.689 62.432 63.100 0.035 0.000 0.815 548 P CB 0.837 32.559 31.700 0.035 0.000 0.989 549 R N 1.978 122.501 120.500 0.039 0.000 2.623 549 R HA 0.120 4.460 4.340 0.001 0.000 0.271 549 R C -0.189 176.135 176.300 0.041 0.000 1.043 549 R CA 0.241 56.370 56.100 0.049 0.000 1.083 549 R CB 0.357 30.676 30.300 0.032 0.000 0.974 549 R HN 0.486 nan 8.270 nan 0.000 0.436 550 E N 2.326 122.558 120.200 0.052 0.000 2.238 550 E HA 0.407 4.757 4.350 0.001 0.000 0.267 550 E C -1.439 175.079 176.600 -0.136 0.000 0.887 550 E CA -0.988 55.418 56.400 0.010 0.000 0.769 550 E CB 2.591 32.369 29.700 0.129 0.000 1.187 550 E HN 0.250 nan 8.360 nan 0.000 0.416 551 V N 1.719 121.484 119.914 -0.248 0.000 2.668 551 V HA 0.773 4.894 4.120 0.001 0.000 0.304 551 V C 0.162 175.957 176.094 -0.498 0.000 1.071 551 V CA -0.301 61.753 62.300 -0.409 0.000 0.894 551 V CB 1.643 33.317 31.823 -0.247 0.000 1.008 551 V HN 0.905 nan 8.190 nan 0.000 0.425 552 G N 3.756 112.109 108.800 -0.745 0.000 2.474 552 G HA2 0.664 4.624 3.960 0.001 0.000 0.234 552 G HA3 0.664 4.624 3.960 0.001 0.000 0.234 552 G C -1.814 173.012 174.900 -0.124 0.000 1.204 552 G CA 0.076 44.972 45.100 -0.340 0.000 0.939 552 G HN 1.261 nan 8.290 nan 0.000 0.491 553 L N -3.022 118.325 121.223 0.206 0.000 2.469 553 L HA 0.936 5.276 4.340 0.001 0.000 0.256 553 L C -1.716 175.211 176.870 0.095 0.000 1.006 553 L CA -1.074 53.898 54.840 0.219 0.000 0.832 553 L CB 1.847 44.056 42.059 0.250 0.000 1.421 553 L HN 0.357 nan 8.230 nan 0.000 0.410 554 F N 1.716 121.837 119.950 0.286 0.000 2.402 554 F HA 0.481 5.008 4.527 0.000 0.000 0.355 554 F C -0.557 175.314 175.800 0.118 0.000 1.123 554 F CA -0.501 57.562 58.000 0.104 0.000 1.021 554 F CB 1.337 40.298 39.000 -0.064 0.000 1.160 554 F HN 0.458 nan 8.300 nan 0.000 0.451 555 Y N 4.307 124.646 120.300 0.064 0.000 2.327 555 Y HA 0.456 5.006 4.550 0.001 0.000 0.336 555 Y C -1.361 174.384 175.900 -0.258 0.000 1.035 555 Y CA -2.021 56.043 58.100 -0.060 0.000 1.165 555 Y CB 0.433 38.854 38.460 -0.065 0.000 1.181 555 Y HN 0.423 nan 8.280 nan 0.000 0.494 556 F N 9.205 128.886 119.950 -0.449 0.000 2.293 556 F HA 0.330 4.857 4.527 0.001 0.000 0.370 556 F C -1.465 173.717 175.800 -1.028 0.000 1.090 556 F CA -1.949 55.603 58.000 -0.746 0.000 1.133 556 F CB 1.036 39.422 39.000 -1.024 0.000 1.360 556 F HN 0.456 nan 8.300 nan 0.000 0.489 557 P HA -0.179 nan 4.420 nan 0.000 0.215 557 P C 0.176 177.300 177.300 -0.294 0.000 1.157 557 P CA 1.465 64.017 63.100 -0.913 0.000 0.868 557 P CB 0.387 31.718 31.700 -0.615 0.000 0.788 558 D N -1.474 118.814 120.400 -0.186 0.000 2.378 558 D HA 0.406 5.046 4.640 0.001 0.000 0.265 558 D C 0.704 177.027 176.300 0.037 0.000 1.229 558 D CA -0.700 53.299 54.000 -0.001 0.000 0.914 558 D CB 0.500 41.322 40.800 0.036 0.000 1.140 558 D HN -0.120 nan 8.370 nan 0.000 0.516 559 A N 2.630 125.452 122.820 0.004 0.000 2.119 559 A HA 0.015 4.336 4.320 0.001 0.000 0.217 559 A C 1.427 179.064 177.584 0.088 0.000 1.153 559 A CA 0.651 52.645 52.037 -0.071 0.000 0.692 559 A CB -0.416 18.320 19.000 -0.439 0.000 0.799 559 A HN 0.503 nan 8.150 nan 0.000 0.458 560 F N 0.156 120.261 119.950 0.259 0.000 2.123 560 F HA -0.025 4.503 4.527 0.001 0.000 0.289 560 F C 2.180 178.130 175.800 0.251 0.000 1.099 560 F CA 1.871 60.104 58.000 0.387 0.000 1.234 560 F CB -0.456 38.746 39.000 0.337 0.000 1.034 560 F HN 0.224 nan 8.300 nan 0.000 0.479 561 N N -1.217 117.686 118.700 0.338 0.000 2.300 561 N HA -0.036 4.705 4.740 0.001 0.000 0.179 561 N C -0.127 175.441 175.510 0.098 0.000 1.016 561 N CA 1.000 54.156 53.050 0.177 0.000 0.876 561 N CB 0.068 38.637 38.487 0.136 0.000 0.979 561 N HN -0.041 nan 8.380 nan 0.000 0.432 562 S N 0.612 116.370 115.700 0.097 0.000 2.204 562 S HA 0.201 4.672 4.470 0.001 0.000 0.147 562 S C -2.148 172.510 174.600 0.096 0.000 1.711 562 S CA -0.917 57.319 58.200 0.060 0.000 1.274 562 S CB 1.327 64.539 63.200 0.020 0.000 1.257 562 S HN 0.158 nan 8.310 nan 0.000 0.404 563 P HA -0.078 nan 4.420 nan 0.000 0.225 563 P C 1.208 178.684 177.300 0.292 0.000 1.148 563 P CA 0.907 64.112 63.100 0.176 0.000 0.779 563 P CB 0.015 31.803 31.700 0.145 0.000 0.780 564 S N -2.144 113.681 115.700 0.208 0.000 2.575 564 S HA 0.058 4.529 4.470 0.001 0.000 0.215 564 S C 0.739 175.454 174.600 0.192 0.000 0.966 564 S CA -0.409 57.935 58.200 0.239 0.000 0.911 564 S CB -0.956 62.319 63.200 0.126 0.000 0.780 564 S HN 0.009 nan 8.310 nan 0.000 0.514 565 N N 1.401 120.155 118.700 0.090 0.000 2.437 565 N HA 0.462 5.202 4.740 0.001 0.000 0.259 565 N C -1.037 174.321 175.510 -0.253 0.000 0.983 565 N CA -0.707 52.263 53.050 -0.132 0.000 0.937 565 N CB 0.564 38.970 38.487 -0.135 0.000 1.122 565 N HN 0.488 nan 8.380 nan 0.000 0.499 566 Y N 0.637 120.617 120.300 -0.533 0.000 2.588 566 Y HA 0.715 5.265 4.550 0.000 0.000 0.343 566 Y C -1.467 174.174 175.900 -0.432 0.000 1.065 566 Y CA -1.418 56.202 58.100 -0.800 0.000 1.038 566 Y CB 0.755 38.315 38.460 -1.500 0.000 1.297 566 Y HN 0.125 nan 8.280 nan 0.000 0.467 567 V N 3.158 122.976 119.914 -0.160 0.000 2.604 567 V HA 0.565 4.685 4.120 0.001 0.000 0.305 567 V C -0.749 175.467 176.094 0.203 0.000 1.043 567 V CA -0.953 61.326 62.300 -0.035 0.000 0.888 567 V CB 1.665 33.465 31.823 -0.039 0.000 0.995 567 V HN 0.959 nan 8.190 nan 0.000 0.429 568 R N 6.175 126.817 120.500 0.237 0.000 2.308 568 R HA 0.564 4.904 4.340 0.001 0.000 0.305 568 R C -0.884 175.546 176.300 0.216 0.000 1.053 568 R CA -0.561 55.730 56.100 0.319 0.000 0.957 568 R CB 0.613 31.109 30.300 0.326 0.000 1.022 568 R HN 0.674 nan 8.270 nan 0.000 0.461 569 R N 3.959 124.602 120.500 0.238 0.000 2.574 569 R HA 0.242 4.582 4.340 0.001 0.000 0.288 569 R C -0.932 175.545 176.300 0.295 0.000 1.004 569 R CA -0.804 55.447 56.100 0.251 0.000 0.895 569 R CB 2.307 32.749 30.300 0.236 0.000 1.191 569 R HN 0.710 nan 8.270 nan 0.000 0.444 570 Q N 2.010 121.970 119.800 0.266 0.000 2.301 570 Q HA 0.506 4.847 4.340 0.001 0.000 0.267 570 Q C 0.534 176.589 176.000 0.091 0.000 1.035 570 Q CA -0.944 54.945 55.803 0.144 0.000 0.856 570 Q CB 2.468 31.273 28.738 0.112 0.000 1.337 570 Q HN 0.573 nan 8.270 nan 0.000 0.450 571 I N -1.630 118.763 120.570 -0.295 0.000 3.004 571 I HA 0.325 4.496 4.170 0.001 0.000 0.287 571 I C -2.220 173.729 176.117 -0.281 0.000 1.144 571 I CA -2.301 58.537 61.300 -0.770 0.000 1.353 571 I CB -0.179 37.113 38.000 -1.180 0.000 1.417 571 I HN 0.306 nan 8.210 nan 0.000 0.602 572 P HA 0.006 nan 4.420 nan 0.000 0.264 572 P C 0.550 177.925 177.300 0.125 0.000 1.183 572 P CA 0.083 63.256 63.100 0.123 0.000 0.763 572 P CB 0.706 32.593 31.700 0.313 0.000 0.807 573 S N 2.810 118.559 115.700 0.082 0.000 2.402 573 S HA -0.268 4.203 4.470 0.001 0.000 0.233 573 S C 1.483 176.087 174.600 0.007 0.000 1.030 573 S CA 1.556 59.779 58.200 0.038 0.000 1.003 573 S CB -0.997 62.222 63.200 0.032 0.000 0.813 573 S HN 0.687 nan 8.310 nan 0.000 0.477 574 E N 0.200 120.385 120.200 -0.026 0.000 2.268 574 E HA -0.142 4.208 4.350 0.001 0.000 0.195 574 E C 1.101 177.535 176.600 -0.276 0.000 0.995 574 E CA 0.913 57.200 56.400 -0.189 0.000 0.836 574 E CB -0.539 28.977 29.700 -0.306 0.000 0.763 574 E HN 0.739 nan 8.360 nan 0.000 0.491 575 Y N 0.851 121.148 120.300 -0.004 0.000 2.457 575 Y HA 0.232 4.783 4.550 0.001 0.000 0.263 575 Y C 1.595 177.469 175.900 -0.044 0.000 1.164 575 Y CA 0.101 58.205 58.100 0.007 0.000 1.274 575 Y CB 0.469 39.000 38.460 0.119 0.000 1.097 575 Y HN 0.056 nan 8.280 nan 0.000 0.523 576 E N 0.308 120.537 120.200 0.047 0.000 2.170 576 E HA -0.005 4.346 4.350 0.001 0.000 0.191 576 E C -1.777 174.813 176.600 -0.016 0.000 0.981 576 E CA -0.272 56.123 56.400 -0.009 0.000 0.830 576 E CB -0.799 28.887 29.700 -0.023 0.000 0.775 576 E HN 0.234 nan 8.360 nan 0.000 0.470 577 P HA -0.051 nan 4.420 nan 0.000 0.266 577 P C -0.853 176.430 177.300 -0.029 0.000 1.195 577 P CA 0.695 63.779 63.100 -0.025 0.000 0.768 577 P CB 0.311 31.989 31.700 -0.037 0.000 0.838 578 D N -0.977 119.404 120.400 -0.032 0.000 2.837 578 D HA -0.191 4.450 4.640 0.001 0.000 0.230 578 D C -0.125 176.145 176.300 -0.050 0.000 1.152 578 D CA 1.188 55.164 54.000 -0.041 0.000 0.736 578 D CB -1.403 39.367 40.800 -0.049 0.000 1.084 578 D HN 0.508 nan 8.370 nan 0.000 0.429 579 A N 0.065 122.846 122.820 -0.064 0.000 2.401 579 A HA 0.790 5.110 4.320 0.001 0.000 0.310 579 A C 0.187 177.656 177.584 -0.192 0.000 1.075 579 A CA 0.274 52.258 52.037 -0.089 0.000 0.746 579 A CB 2.286 21.257 19.000 -0.049 0.000 1.277 579 A HN 0.397 nan 8.150 nan 0.000 0.425 580 S N 0.411 115.953 115.700 -0.263 0.000 2.688 580 S HA 0.638 5.109 4.470 0.001 0.000 0.275 580 S C -0.611 173.791 174.600 -0.329 0.000 1.175 580 S CA -0.418 57.454 58.200 -0.548 0.000 0.818 580 S CB 0.428 63.055 63.200 -0.955 0.000 1.157 580 S HN 0.956 nan 8.310 nan 0.000 0.482 581 E N 1.361 121.374 120.200 -0.311 0.000 2.246 581 E HA -0.122 4.228 4.350 0.001 0.000 0.173 581 E C -2.430 174.007 176.600 -0.272 0.000 1.532 581 E CA 0.573 56.716 56.400 -0.429 0.000 0.672 581 E CB -1.139 28.205 29.700 -0.594 0.000 1.078 581 E HN 0.507 nan 8.360 nan 0.000 0.338 582 P HA 0.029 nan 4.420 nan 0.000 0.276 582 P C -0.127 177.426 177.300 0.421 0.000 1.235 582 P CA -0.285 62.910 63.100 0.158 0.000 0.772 582 P CB 0.859 32.610 31.700 0.085 0.000 0.871 583 C N 5.218 124.801 119.300 0.472 0.000 2.369 583 C HA 0.590 5.050 4.460 0.001 0.000 0.358 583 C C 0.962 176.321 174.990 0.614 0.000 1.274 583 C CA -0.227 59.135 59.018 0.573 0.000 1.935 583 C CB -0.997 27.131 27.740 0.646 0.000 2.431 583 C HN 0.496 nan 8.230 nan 0.000 0.545 584 I N 0.851 121.715 120.570 0.490 0.000 2.545 584 I HA 0.852 5.022 4.170 0.001 0.000 0.292 584 I C -0.780 175.558 176.117 0.367 0.000 1.040 584 I CA -0.624 60.972 61.300 0.493 0.000 1.068 584 I CB 1.606 39.835 38.000 0.381 0.000 1.251 584 I HN 0.403 nan 8.210 nan 0.000 0.424 585 K N 3.734 124.417 120.400 0.472 0.000 2.508 585 K HA 0.532 4.852 4.320 0.001 0.000 0.260 585 K C -2.108 174.732 176.600 0.400 0.000 0.949 585 K CA -0.663 55.786 56.287 0.270 0.000 0.834 585 K CB 2.337 34.836 32.500 -0.002 0.000 1.365 585 K HN 0.606 nan 8.250 nan 0.000 0.437 586 Y N 2.475 122.721 120.300 -0.089 0.000 2.331 586 Y HA 0.515 5.065 4.550 0.001 0.000 0.334 586 Y C -1.779 173.954 175.900 -0.278 0.000 0.960 586 Y CA -0.515 57.545 58.100 -0.065 0.000 1.130 586 Y CB 0.927 39.348 38.460 -0.064 0.000 1.164 586 Y HN 0.549 nan 8.280 nan 0.000 0.458 587 Y N 4.150 124.368 120.300 -0.136 0.000 2.386 587 Y HA 0.238 4.789 4.550 0.001 0.000 0.334 587 Y C -0.362 175.389 175.900 -0.247 0.000 1.002 587 Y CA -1.526 56.529 58.100 -0.075 0.000 1.068 587 Y CB 1.584 40.167 38.460 0.205 0.000 1.203 587 Y HN 0.651 nan 8.280 nan 0.000 0.443 588 D N 3.074 123.422 120.400 -0.087 0.000 2.697 588 D HA -0.201 4.440 4.640 0.001 0.000 0.235 588 D C 1.229 177.406 176.300 -0.205 0.000 1.167 588 D CA 1.820 55.772 54.000 -0.080 0.000 0.656 588 D CB -0.798 40.020 40.800 0.030 0.000 1.025 588 D HN 1.192 nan 8.370 nan 0.000 0.419 589 G N -1.810 106.714 108.800 -0.460 0.000 2.184 589 G HA2 -0.322 3.639 3.960 0.001 0.000 0.264 589 G HA3 -0.322 3.639 3.960 0.001 0.000 0.264 589 G C 0.356 175.056 174.900 -0.333 0.000 0.975 589 G CA 0.409 45.319 45.100 -0.316 0.000 0.642 589 G HN 0.609 nan 8.290 nan 0.000 0.536 590 V N 0.777 120.396 119.914 -0.493 0.000 2.417 590 V HA 0.705 4.825 4.120 0.001 0.000 0.291 590 V C 0.131 175.970 176.094 -0.425 0.000 1.024 590 V CA -0.877 61.173 62.300 -0.417 0.000 0.861 590 V CB 1.802 33.360 31.823 -0.442 0.000 0.985 590 V HN 0.393 nan 8.190 nan 0.000 0.436 591 L N 6.012 127.110 121.223 -0.209 0.000 2.272 591 L HA 0.585 4.926 4.340 0.001 0.000 0.289 591 L C -1.084 175.812 176.870 0.043 0.000 1.032 591 L CA 0.154 55.039 54.840 0.075 0.000 0.810 591 L CB 0.626 42.772 42.059 0.146 0.000 1.205 591 L HN 0.545 nan 8.230 nan 0.000 0.422 592 Y N 5.408 126.013 120.300 0.508 0.000 2.387 592 Y HA 0.651 5.201 4.550 0.001 0.000 0.336 592 Y C -0.327 175.932 175.900 0.599 0.000 1.067 592 Y CA -0.590 57.846 58.100 0.561 0.000 1.114 592 Y CB 1.683 40.512 38.460 0.615 0.000 1.208 592 Y HN 0.499 nan 8.280 nan 0.000 0.458 593 L N 4.940 126.528 121.223 0.608 0.000 2.470 593 L HA 0.686 5.027 4.340 0.001 0.000 0.268 593 L C -1.783 175.273 176.870 0.309 0.000 0.964 593 L CA -0.472 54.628 54.840 0.433 0.000 0.839 593 L CB 1.301 43.498 42.059 0.230 0.000 1.276 593 L HN 0.625 nan 8.230 nan 0.000 0.403 594 I N 3.433 124.177 120.570 0.291 0.000 2.465 594 I HA 0.410 4.580 4.170 0.001 0.000 0.291 594 I C 0.168 176.418 176.117 0.222 0.000 1.014 594 I CA -0.574 60.868 61.300 0.237 0.000 1.093 594 I CB 2.317 40.424 38.000 0.179 0.000 1.267 594 I HN 0.589 nan 8.210 nan 0.000 0.431 595 T N 2.426 117.086 114.554 0.177 0.000 2.918 595 T HA 0.398 4.749 4.350 0.001 0.000 0.283 595 T C -0.023 174.715 174.700 0.064 0.000 1.001 595 T CA -0.866 61.289 62.100 0.091 0.000 1.041 595 T CB 2.018 70.929 68.868 0.070 0.000 1.028 595 T HN 0.530 nan 8.240 nan 0.000 0.511 596 R N 0.841 121.340 120.500 -0.002 0.000 2.265 596 R HA 0.425 4.765 4.340 0.001 0.000 0.314 596 R C 0.484 176.757 176.300 -0.046 0.000 1.053 596 R CA -0.347 55.735 56.100 -0.031 0.000 0.931 596 R CB 0.440 30.711 30.300 -0.049 0.000 1.024 596 R HN 0.961 nan 8.270 nan 0.000 0.457 597 G N 1.371 110.141 108.800 -0.049 0.000 2.403 597 G HA2 0.066 4.026 3.960 0.001 0.000 0.259 597 G HA3 0.066 4.026 3.960 0.001 0.000 0.259 597 G C 1.042 175.925 174.900 -0.029 0.000 1.244 597 G CA -0.362 44.709 45.100 -0.049 0.000 0.849 597 G HN 0.756 nan 8.290 nan 0.000 0.532 598 T N -0.856 113.681 114.554 -0.029 0.000 3.067 598 T HA 0.168 4.519 4.350 0.001 0.000 0.257 598 T C 0.866 175.576 174.700 0.017 0.000 1.105 598 T CA 0.120 62.240 62.100 0.034 0.000 1.104 598 T CB 0.002 68.875 68.868 0.008 0.000 0.925 598 T HN 0.633 nan 8.240 nan 0.000 0.498 599 R N -0.451 119.966 120.500 -0.138 0.000 2.626 599 R HA 0.599 4.939 4.340 0.001 0.000 0.274 599 R C 0.987 176.914 176.300 -0.621 0.000 1.031 599 R CA -0.779 55.145 56.100 -0.293 0.000 0.898 599 R CB 1.113 31.320 30.300 -0.156 0.000 1.222 599 R HN 0.007 nan 8.270 nan 0.000 0.455 600 G N 0.843 108.982 108.800 -1.102 0.000 2.509 600 G HA2 -0.227 3.734 3.960 0.001 0.000 0.218 600 G HA3 -0.227 3.734 3.960 0.001 0.000 0.218 600 G C 0.539 175.137 174.900 -0.502 0.000 1.124 600 G CA 0.836 45.174 45.100 -1.270 0.000 0.776 600 G HN 0.790 nan 8.290 nan 0.000 0.547 601 D N -0.753 119.453 120.400 -0.324 0.000 2.427 601 D HA 0.122 4.763 4.640 0.001 0.000 0.224 601 D C 0.542 176.756 176.300 -0.144 0.000 1.157 601 D CA -0.250 53.640 54.000 -0.183 0.000 0.828 601 D CB 0.373 41.096 40.800 -0.127 0.000 0.974 601 D HN 0.060 nan 8.370 nan 0.000 0.498 602 R N 0.114 120.514 120.500 -0.166 0.000 2.740 602 R HA 0.302 4.642 4.340 0.001 0.000 0.273 602 R C -0.739 175.492 176.300 -0.114 0.000 0.998 602 R CA -1.191 54.837 56.100 -0.119 0.000 0.900 602 R CB 1.450 31.688 30.300 -0.103 0.000 1.223 602 R HN -0.029 nan 8.270 nan 0.000 0.466 603 L N 1.919 123.090 121.223 -0.087 0.000 2.640 603 L HA 0.014 4.354 4.340 0.001 0.000 0.280 603 L C 1.323 178.163 176.870 -0.050 0.000 1.229 603 L CA 1.157 55.956 54.840 -0.067 0.000 0.919 603 L CB -0.165 41.854 42.059 -0.067 0.000 1.168 603 L HN 0.888 nan 8.230 nan 0.000 0.496 604 G N 2.087 110.867 108.800 -0.034 0.000 3.075 604 G HA2 0.279 4.239 3.960 0.001 0.000 0.156 604 G HA3 0.279 4.239 3.960 0.001 0.000 0.156 604 G C -0.306 174.625 174.900 0.052 0.000 1.403 604 G CA -0.456 44.629 45.100 -0.025 0.000 1.033 604 G HN 0.560 nan 8.290 nan 0.000 0.589 605 S N 0.269 116.003 115.700 0.057 0.000 2.593 605 S HA 0.335 4.805 4.470 0.001 0.000 0.300 605 S C 0.455 175.266 174.600 0.352 0.000 1.267 605 S CA 0.354 58.655 58.200 0.169 0.000 1.065 605 S CB 0.169 63.413 63.200 0.074 0.000 0.807 605 S HN 0.931 nan 8.310 nan 0.000 0.499 606 S N 3.523 119.375 115.700 0.254 0.000 2.568 606 S HA 0.723 5.193 4.470 0.001 0.000 0.293 606 S C -0.808 173.720 174.600 -0.119 0.000 1.089 606 S CA -1.039 57.161 58.200 -0.001 0.000 0.945 606 S CB 1.308 64.481 63.200 -0.045 0.000 1.077 606 S HN 0.607 nan 8.310 nan 0.000 0.485 607 L N 2.563 123.456 121.223 -0.551 0.000 2.334 607 L HA 0.636 4.976 4.340 0.001 0.000 0.276 607 L C -1.144 175.360 176.870 -0.610 0.000 1.014 607 L CA -0.455 54.139 54.840 -0.409 0.000 0.815 607 L CB 1.341 43.073 42.059 -0.546 0.000 1.268 607 L HN 0.914 nan 8.230 nan 0.000 0.428 608 H N 3.722 122.856 119.070 0.106 0.000 2.930 608 H HA 0.477 5.033 4.556 0.001 0.000 0.371 608 H C -1.125 174.547 175.328 0.575 0.000 1.169 608 H CA -0.926 55.284 56.048 0.270 0.000 1.157 608 H CB 2.314 31.975 29.762 -0.169 0.000 1.789 608 H HN 0.570 nan 8.280 nan 0.000 0.547 609 R N 0.294 121.175 120.500 0.635 0.000 2.807 609 R HA 0.711 5.051 4.340 0.001 0.000 0.276 609 R C -1.054 175.312 176.300 0.110 0.000 0.979 609 R CA -1.041 55.228 56.100 0.283 0.000 0.928 609 R CB 2.129 32.372 30.300 -0.095 0.000 1.191 609 R HN 0.425 nan 8.270 nan 0.000 0.471 610 S N 0.262 115.841 115.700 -0.203 0.000 2.575 610 S HA 0.390 4.861 4.470 0.001 0.000 0.278 610 S C -0.345 174.049 174.600 -0.343 0.000 1.139 610 S CA -0.888 57.030 58.200 -0.471 0.000 0.954 610 S CB 1.551 64.092 63.200 -1.098 0.000 1.054 610 S HN 0.761 nan 8.310 nan 0.000 0.483 611 R N 1.470 121.801 120.500 -0.281 0.000 2.359 611 R HA 0.214 4.555 4.340 0.001 0.000 0.231 611 R C -0.347 175.856 176.300 -0.163 0.000 0.913 611 R CA 0.580 56.565 56.100 -0.191 0.000 1.075 611 R CB 0.202 30.409 30.300 -0.155 0.000 1.087 611 R HN 0.692 nan 8.270 nan 0.000 0.515 612 D N -1.251 119.009 120.400 -0.233 0.000 2.760 612 D HA 0.079 4.720 4.640 0.001 0.000 0.314 612 D C -0.062 176.086 176.300 -0.253 0.000 1.464 612 D CA -0.492 53.390 54.000 -0.197 0.000 0.797 612 D CB -0.408 40.290 40.800 -0.169 0.000 1.149 612 D HN 0.068 nan 8.370 nan 0.000 0.455 613 I N 0.437 120.830 120.570 -0.295 0.000 6.379 613 I HA -0.229 3.942 4.170 0.001 0.000 0.126 613 I C 1.301 177.222 176.117 -0.326 0.000 1.821 613 I CA 0.755 61.853 61.300 -0.337 0.000 2.063 613 I CB -1.420 36.296 38.000 -0.472 0.000 3.472 613 I HN 0.544 nan 8.210 nan 0.000 0.177 614 G N -0.216 108.215 108.800 -0.616 0.000 2.176 614 G HA2 -0.272 3.688 3.960 0.001 0.000 0.232 614 G HA3 -0.272 3.688 3.960 0.001 0.000 0.232 614 G C 0.477 175.135 174.900 -0.403 0.000 0.986 614 G CA 0.412 45.106 45.100 -0.675 0.000 0.643 614 G HN 0.546 nan 8.290 nan 0.000 0.522 615 Q N -0.086 119.501 119.800 -0.355 0.000 2.096 615 Q HA 0.149 4.489 4.340 0.001 0.000 0.197 615 Q C 1.421 177.312 176.000 -0.182 0.000 0.964 615 Q CA 1.576 57.279 55.803 -0.167 0.000 0.838 615 Q CB 0.157 28.830 28.738 -0.108 0.000 0.906 615 Q HN 0.758 nan 8.270 nan 0.000 0.444 616 T N -2.817 111.526 114.554 -0.351 0.000 2.907 616 T HA 0.575 4.925 4.350 0.001 0.000 0.292 616 T C -1.359 173.095 174.700 -0.410 0.000 1.043 616 T CA -0.848 61.118 62.100 -0.223 0.000 1.003 616 T CB 1.297 70.098 68.868 -0.113 0.000 1.084 616 T HN 0.165 nan 8.240 nan 0.000 0.483 617 W N 0.021 121.325 121.300 0.007 0.000 3.032 617 W HA 0.593 5.254 4.660 0.001 0.000 0.335 617 W C -0.237 176.284 176.519 0.003 0.000 1.154 617 W CA -0.755 56.600 57.345 0.017 0.000 1.204 617 W CB 1.917 31.419 29.460 0.071 0.000 1.416 617 W HN 0.706 nan 8.180 nan 0.000 0.521 618 E N 1.476 121.805 120.200 0.215 0.000 2.166 618 E HA 0.628 4.979 4.350 0.001 0.000 0.275 618 E C -0.781 175.984 176.600 0.275 0.000 0.941 618 E CA -0.327 56.126 56.400 0.087 0.000 0.784 618 E CB 1.697 31.222 29.700 -0.292 0.000 1.115 618 E HN 0.326 nan 8.360 nan 0.000 0.399 619 S N 2.970 118.825 115.700 0.259 0.000 2.632 619 S HA 0.713 5.184 4.470 0.001 0.000 0.289 619 S C -1.031 173.533 174.600 -0.060 0.000 1.115 619 S CA -0.926 57.234 58.200 -0.065 0.000 0.889 619 S CB 1.618 64.500 63.200 -0.530 0.000 1.116 619 S HN 0.525 nan 8.310 nan 0.000 0.486 620 L N 0.288 121.225 121.223 -0.477 0.000 2.556 620 L HA 0.738 5.079 4.340 0.001 0.000 0.257 620 L C -1.743 174.834 176.870 -0.489 0.000 0.955 620 L CA -0.788 53.799 54.840 -0.421 0.000 0.850 620 L CB 2.093 43.731 42.059 -0.702 0.000 1.398 620 L HN 0.689 nan 8.230 nan 0.000 0.412 621 R N 2.077 122.409 120.500 -0.280 0.000 2.393 621 R HA 0.608 4.948 4.340 0.001 0.000 0.310 621 R C -1.232 174.889 176.300 -0.298 0.000 0.968 621 R CA -0.310 55.680 56.100 -0.183 0.000 0.867 621 R CB 1.166 31.459 30.300 -0.011 0.000 1.124 621 R HN 0.562 nan 8.270 nan 0.000 0.450 622 F N 5.622 125.519 119.950 -0.089 0.000 2.484 622 F HA 0.241 4.768 4.527 0.001 0.000 0.360 622 F C -1.363 174.400 175.800 -0.061 0.000 1.101 622 F CA -1.420 56.550 58.000 -0.050 0.000 1.251 622 F CB 0.530 39.566 39.000 0.061 0.000 1.132 622 F HN 0.414 nan 8.300 nan 0.000 0.570 623 P HA 0.022 nan 4.420 nan 0.000 0.269 623 P C -0.686 176.577 177.300 -0.062 0.000 1.215 623 P CA 0.207 63.207 63.100 -0.166 0.000 0.780 623 P CB 0.261 31.810 31.700 -0.252 0.000 0.898 624 H N 0.167 119.257 119.070 0.034 0.000 2.886 624 H HA -0.175 4.382 4.556 0.001 0.000 0.294 624 H C -0.331 174.956 175.328 -0.068 0.000 1.246 624 H CA 0.711 56.754 56.048 -0.008 0.000 1.142 624 H CB -2.683 27.090 29.762 0.020 0.000 1.358 624 H HN 0.732 nan 8.280 nan 0.000 0.406 625 N N -1.712 116.979 118.700 -0.015 0.000 2.688 625 N HA -0.163 4.578 4.740 0.001 0.000 0.258 625 N C -0.120 175.314 175.510 -0.128 0.000 1.016 625 N CA 0.395 53.393 53.050 -0.085 0.000 0.747 625 N CB -0.592 37.808 38.487 -0.145 0.000 0.895 625 N HN 0.175 nan 8.380 nan 0.000 0.543 626 V N 2.010 121.801 119.914 -0.205 0.000 2.557 626 V HA 0.006 4.126 4.120 0.001 0.000 0.301 626 V C 0.887 176.755 176.094 -0.377 0.000 1.026 626 V CA 0.478 62.455 62.300 -0.538 0.000 1.137 626 V CB -0.017 31.447 31.823 -0.598 0.000 0.917 626 V HN 0.503 nan 8.190 nan 0.000 0.484 627 H N 2.960 121.623 119.070 -0.679 0.000 3.008 627 H HA 0.432 4.989 4.556 0.001 0.000 0.354 627 H C 0.315 175.417 175.328 -0.377 0.000 1.252 627 H CA -0.476 55.275 56.048 -0.496 0.000 1.117 627 H CB 1.008 30.423 29.762 -0.577 0.000 1.857 627 H HN 0.751 nan 8.280 nan 0.000 0.547 628 H N -1.569 117.428 119.070 -0.121 0.000 3.898 628 H HA -0.174 4.382 4.556 0.000 0.000 0.171 628 H C -0.157 175.136 175.328 -0.058 0.000 0.920 628 H CA 1.445 57.442 56.048 -0.085 0.000 1.238 628 H CB -0.761 28.934 29.762 -0.111 0.000 0.997 628 H HN 0.839 nan 8.280 nan 0.000 0.380 629 T N 0.964 115.513 114.554 -0.009 0.000 2.885 629 T HA 0.452 4.802 4.350 0.001 0.000 0.285 629 T C 0.403 175.143 174.700 0.067 0.000 1.019 629 T CA 0.015 62.149 62.100 0.057 0.000 1.010 629 T CB 1.458 70.358 68.868 0.053 0.000 1.022 629 T HN 0.327 nan 8.240 nan 0.000 0.466 630 T N 2.343 117.001 114.554 0.172 0.000 2.849 630 T HA 0.568 4.918 4.350 0.001 0.000 0.284 630 T C 0.284 175.127 174.700 0.238 0.000 1.004 630 T CA -0.825 61.403 62.100 0.213 0.000 1.021 630 T CB 0.447 69.519 68.868 0.340 0.000 1.013 630 T HN 0.512 nan 8.240 nan 0.000 0.527 631 L N 1.761 123.150 121.223 0.276 0.000 2.637 631 L HA 0.332 4.672 4.340 0.001 0.000 0.241 631 L C -2.348 174.803 176.870 0.469 0.000 1.398 631 L CA -2.057 52.956 54.840 0.288 0.000 0.895 631 L CB 1.030 43.187 42.059 0.163 0.000 1.183 631 L HN 0.482 nan 8.230 nan 0.000 0.497 632 P HA 0.224 nan 4.420 nan 0.000 0.272 632 P C -0.821 176.851 177.300 0.621 0.000 1.223 632 P CA 0.230 63.660 63.100 0.550 0.000 0.784 632 P CB 0.825 32.811 31.700 0.476 0.000 0.923 633 F N -1.539 118.630 119.950 0.365 0.000 2.741 633 F HA 0.800 5.327 4.527 0.001 0.000 0.311 633 F C -1.930 174.078 175.800 0.347 0.000 1.149 633 F CA -1.362 56.841 58.000 0.339 0.000 0.930 633 F CB 0.761 39.915 39.000 0.258 0.000 1.312 633 F HN 0.495 nan 8.300 nan 0.000 0.450 634 A N 1.597 124.625 122.820 0.347 0.000 2.469 634 A HA 0.738 5.058 4.320 0.001 0.000 0.299 634 A C -1.638 176.049 177.584 0.172 0.000 1.098 634 A CA -1.094 51.088 52.037 0.241 0.000 0.737 634 A CB 1.995 21.146 19.000 0.251 0.000 1.312 634 A HN 0.896 nan 8.150 nan 0.000 0.414 635 K N 1.205 121.476 120.400 -0.215 0.000 2.240 635 K HA 0.593 4.914 4.320 0.001 0.000 0.271 635 K C -1.625 174.785 176.600 -0.318 0.000 1.018 635 K CA -0.273 55.760 56.287 -0.422 0.000 0.874 635 K CB 1.029 32.981 32.500 -0.913 0.000 1.098 635 K HN 0.419 nan 8.250 nan 0.000 0.458 636 V N 4.637 124.471 119.914 -0.134 0.000 2.407 636 V HA 0.428 4.549 4.120 0.001 0.000 0.291 636 V C 0.801 176.857 176.094 -0.064 0.000 1.018 636 V CA -0.018 62.240 62.300 -0.070 0.000 0.842 636 V CB 0.520 32.338 31.823 -0.007 0.000 0.996 636 V HN 1.174 nan 8.190 nan 0.000 0.426 637 G N 4.941 113.708 108.800 -0.056 0.000 2.611 637 G HA2 -0.284 3.676 3.960 0.001 0.000 0.301 637 G HA3 -0.284 3.676 3.960 0.001 0.000 0.301 637 G C 0.388 175.260 174.900 -0.047 0.000 1.233 637 G CA 0.700 45.777 45.100 -0.039 0.000 0.993 637 G HN 0.636 nan 8.290 nan 0.000 0.553 638 D N 1.936 122.316 120.400 -0.033 0.000 2.340 638 D HA 0.210 4.850 4.640 0.001 0.000 0.220 638 D C 0.237 176.514 176.300 -0.037 0.000 1.039 638 D CA 0.652 54.639 54.000 -0.022 0.000 0.866 638 D CB 0.033 40.827 40.800 -0.010 0.000 0.913 638 D HN 0.332 nan 8.370 nan 0.000 0.523 639 D N 0.391 120.756 120.400 -0.058 0.000 2.168 639 D HA 0.207 4.847 4.640 0.001 0.000 0.246 639 D C -0.056 176.194 176.300 -0.084 0.000 1.050 639 D CA -0.578 53.380 54.000 -0.069 0.000 0.857 639 D CB 1.766 42.530 40.800 -0.059 0.000 1.169 639 D HN -0.174 nan 8.370 nan 0.000 0.453 640 L N 2.507 123.672 121.223 -0.096 0.000 2.290 640 L HA 0.356 4.696 4.340 0.001 0.000 0.284 640 L C 0.066 176.932 176.870 -0.006 0.000 1.078 640 L CA -0.142 54.667 54.840 -0.050 0.000 0.815 640 L CB 0.495 42.468 42.059 -0.142 0.000 1.162 640 L HN 0.280 nan 8.230 nan 0.000 0.435 641 I N 5.473 126.105 120.570 0.103 0.000 2.355 641 I HA 0.410 4.581 4.170 0.001 0.000 0.288 641 I C 0.126 176.360 176.117 0.195 0.000 0.999 641 I CA -0.312 61.044 61.300 0.095 0.000 1.163 641 I CB 0.917 39.008 38.000 0.152 0.000 1.316 641 I HN 0.557 nan 8.210 nan 0.000 0.454 642 M N 4.176 123.804 119.600 0.047 0.000 2.598 642 M HA 0.665 5.146 4.480 0.001 0.000 0.317 642 M C -1.716 174.547 176.300 -0.061 0.000 1.179 642 M CA -0.493 54.914 55.300 0.179 0.000 0.936 642 M CB 2.320 35.031 32.600 0.185 0.000 1.713 642 M HN 0.186 nan 8.290 nan 0.000 0.460 643 F N 0.044 120.007 119.950 0.021 0.000 2.546 643 F HA 0.897 5.425 4.527 0.001 0.000 0.320 643 F C 0.435 176.055 175.800 -0.301 0.000 1.076 643 F CA -0.355 57.436 58.000 -0.348 0.000 0.928 643 F CB 2.581 40.834 39.000 -1.246 0.000 1.189 643 F HN 0.852 nan 8.300 nan 0.000 0.465 644 G N 0.113 108.863 108.800 -0.084 0.000 2.704 644 G HA2 0.612 4.572 3.960 0.001 0.000 0.293 644 G HA3 0.612 4.572 3.960 0.001 0.000 0.293 644 G C -1.878 173.107 174.900 0.140 0.000 1.421 644 G CA -0.880 44.278 45.100 0.096 0.000 0.870 644 G HN 0.551 nan 8.290 nan 0.000 0.492 645 S N 0.061 115.942 115.700 0.302 0.000 2.575 645 S HA 0.416 4.887 4.470 0.001 0.000 0.278 645 S C -0.251 174.562 174.600 0.356 0.000 1.139 645 S CA -0.889 57.476 58.200 0.275 0.000 0.954 645 S CB 1.730 65.081 63.200 0.252 0.000 1.054 645 S HN 0.921 nan 8.310 nan 0.000 0.483 646 E N 2.553 122.995 120.200 0.404 0.000 2.418 646 E HA 0.196 4.547 4.350 0.001 0.000 0.261 646 E C 0.248 176.947 176.600 0.165 0.000 1.070 646 E CA -0.585 55.991 56.400 0.292 0.000 0.931 646 E CB 0.568 30.460 29.700 0.320 0.000 0.954 646 E HN 0.322 nan 8.360 nan 0.000 0.439 647 R N 0.902 121.455 120.500 0.088 0.000 2.210 647 R HA 0.223 4.564 4.340 0.001 0.000 0.203 647 R C 0.191 176.434 176.300 -0.095 0.000 1.010 647 R CA 0.851 56.967 56.100 0.026 0.000 1.008 647 R CB -0.096 30.194 30.300 -0.016 0.000 0.923 647 R HN 0.627 nan 8.270 nan 0.000 0.469 648 A N 0.367 123.112 122.820 -0.126 0.000 2.594 648 A HA 0.364 4.685 4.320 0.001 0.000 0.291 648 A C -1.119 176.457 177.584 -0.013 0.000 1.105 648 A CA -0.699 51.208 52.037 -0.217 0.000 0.694 648 A CB 1.367 20.013 19.000 -0.590 0.000 1.291 648 A HN 0.083 nan 8.150 nan 0.000 0.410 649 E N 0.440 120.671 120.200 0.051 0.000 2.414 649 E HA 0.168 4.519 4.350 0.001 0.000 0.263 649 E C -0.194 176.477 176.600 0.117 0.000 1.000 649 E CA 0.641 57.113 56.400 0.120 0.000 0.914 649 E CB -0.104 29.694 29.700 0.163 0.000 0.948 649 E HN 0.645 nan 8.360 nan 0.000 0.444 650 N N 2.914 121.708 118.700 0.156 0.000 2.776 650 N HA -0.195 4.545 4.740 0.001 0.000 0.249 650 N C -0.236 175.359 175.510 0.142 0.000 1.111 650 N CA 0.658 53.802 53.050 0.157 0.000 0.711 650 N CB -0.459 38.106 38.487 0.130 0.000 1.065 650 N HN 0.597 nan 8.380 nan 0.000 0.556 651 E N -0.959 119.331 120.200 0.149 0.000 2.489 651 E HA -0.008 4.342 4.350 0.001 0.000 0.204 651 E C 1.212 177.847 176.600 0.059 0.000 1.006 651 E CA -0.331 56.143 56.400 0.124 0.000 0.936 651 E CB 0.137 29.900 29.700 0.104 0.000 1.002 651 E HN 0.448 nan 8.360 nan 0.000 0.488 652 W N 2.602 123.848 121.300 -0.090 0.000 2.355 652 W HA -0.105 4.556 4.660 0.002 0.000 0.309 652 W C 0.115 176.543 176.519 -0.153 0.000 1.206 652 W CA 1.179 58.384 57.345 -0.234 0.000 1.284 652 W CB 0.203 29.525 29.460 -0.229 0.000 1.145 652 W HN -0.071 nan 8.180 nan 0.000 0.502 653 E N 0.393 120.672 120.200 0.132 0.000 2.408 653 E HA 0.262 4.612 4.350 0.001 0.000 0.259 653 E C 0.201 176.825 176.600 0.040 0.000 1.110 653 E CA 0.130 56.569 56.400 0.065 0.000 0.929 653 E CB 0.465 30.201 29.700 0.060 0.000 0.971 653 E HN 0.085 nan 8.360 nan 0.000 0.438 654 A N 1.452 124.271 122.820 -0.001 0.000 2.511 654 A HA 0.408 4.729 4.320 0.001 0.000 0.242 654 A C 1.373 178.930 177.584 -0.046 0.000 1.069 654 A CA 0.513 52.528 52.037 -0.035 0.000 0.763 654 A CB -0.756 18.263 19.000 0.031 0.000 1.001 654 A HN 0.898 nan 8.150 nan 0.000 0.498 655 G N 0.811 109.550 108.800 -0.101 0.000 2.184 655 G HA2 0.092 4.053 3.960 0.001 0.000 0.264 655 G HA3 0.092 4.053 3.960 0.001 0.000 0.264 655 G C 0.607 175.485 174.900 -0.037 0.000 0.975 655 G CA 0.557 45.614 45.100 -0.073 0.000 0.642 655 G HN 2.261 nan 8.290 nan 0.000 0.536 656 A N 1.709 124.526 122.820 -0.006 0.000 2.451 656 A HA 0.614 4.935 4.320 0.001 0.000 0.266 656 A C -0.893 176.725 177.584 0.056 0.000 1.119 656 A CA -0.466 51.599 52.037 0.047 0.000 0.786 656 A CB 0.254 19.314 19.000 0.100 0.000 1.061 656 A HN 0.319 nan 8.150 nan 0.000 0.503 657 P HA 0.129 nan 4.420 nan 0.000 0.271 657 P C -0.729 176.629 177.300 0.097 0.000 1.218 657 P CA -0.315 62.821 63.100 0.061 0.000 0.780 657 P CB 0.537 32.267 31.700 0.049 0.000 0.901 658 D N 1.217 121.688 120.400 0.118 0.000 2.506 658 D HA 0.032 4.672 4.640 0.001 0.000 0.234 658 D C 0.203 176.540 176.300 0.061 0.000 1.143 658 D CA 1.136 55.197 54.000 0.102 0.000 0.871 658 D CB 0.076 40.930 40.800 0.089 0.000 1.190 658 D HN 0.317 nan 8.370 nan 0.000 0.459 659 D N 1.625 122.036 120.400 0.018 0.000 2.429 659 D HA 0.117 4.758 4.640 0.001 0.000 0.255 659 D C -0.569 175.720 176.300 -0.018 0.000 1.257 659 D CA -0.559 53.462 54.000 0.034 0.000 0.890 659 D CB 0.267 41.097 40.800 0.049 0.000 1.267 659 D HN 0.078 nan 8.370 nan 0.000 0.521 660 R N 0.894 121.403 120.500 0.016 0.000 2.893 660 R HA 0.407 4.747 4.340 0.001 0.000 0.245 660 R C 0.303 176.721 176.300 0.197 0.000 1.192 660 R CA -0.698 55.377 56.100 -0.042 0.000 1.077 660 R CB 0.123 30.252 30.300 -0.285 0.000 1.253 660 R HN 0.440 nan 8.270 nan 0.000 0.505 661 Y N -1.591 118.888 120.300 0.298 0.000 4.841 661 Y HA -0.344 4.206 4.550 0.001 0.000 0.242 661 Y C 0.286 176.279 175.900 0.154 0.000 1.002 661 Y CA 1.532 59.742 58.100 0.182 0.000 2.011 661 Y CB -1.262 37.257 38.460 0.098 0.000 1.554 661 Y HN 0.556 nan 8.280 nan 0.000 0.618 662 K N 0.119 120.712 120.400 0.321 0.000 2.498 662 K HA 0.880 5.201 4.320 0.001 0.000 0.254 662 K C -0.454 176.279 176.600 0.223 0.000 0.933 662 K CA -0.456 55.962 56.287 0.219 0.000 0.806 662 K CB 2.123 34.733 32.500 0.183 0.000 1.301 662 K HN 0.133 nan 8.250 nan 0.000 0.432 663 A N 1.897 124.780 122.820 0.104 0.000 2.540 663 A HA 0.380 4.701 4.320 0.001 0.000 0.239 663 A C -0.025 177.649 177.584 0.150 0.000 1.061 663 A CA 0.537 52.610 52.037 0.061 0.000 0.758 663 A CB -0.355 18.701 19.000 0.095 0.000 0.991 663 A HN 0.949 nan 8.150 nan 0.000 0.502 664 S N 1.076 116.853 115.700 0.127 0.000 2.688 664 S HA 0.656 5.126 4.470 0.001 0.000 0.275 664 S C -1.137 173.426 174.600 -0.061 0.000 1.175 664 S CA -0.639 57.648 58.200 0.146 0.000 0.818 664 S CB 0.686 64.014 63.200 0.214 0.000 1.157 664 S HN 0.534 nan 8.310 nan 0.000 0.482 665 Y N 1.711 122.067 120.300 0.094 0.000 2.915 665 Y HA 0.431 4.982 4.550 0.001 0.000 0.350 665 Y C -2.519 173.410 175.900 0.048 0.000 1.061 665 Y CA -2.133 55.996 58.100 0.049 0.000 1.179 665 Y CB 0.840 39.319 38.460 0.032 0.000 1.180 665 Y HN 0.402 nan 8.280 nan 0.000 0.605 666 P HA 0.030 nan 4.420 nan 0.000 0.265 666 P C -0.294 177.048 177.300 0.071 0.000 1.193 666 P CA 0.092 63.258 63.100 0.110 0.000 0.765 666 P CB 0.809 32.566 31.700 0.096 0.000 0.823 667 R N 1.248 121.763 120.500 0.025 0.000 2.441 667 R HA 0.474 4.814 4.340 0.001 0.000 0.284 667 R C 0.292 176.388 176.300 -0.340 0.000 1.070 667 R CA -0.148 55.819 56.100 -0.222 0.000 1.047 667 R CB 0.466 30.519 30.300 -0.412 0.000 1.016 667 R HN 0.386 nan 8.270 nan 0.000 0.477 668 T N 3.071 117.334 114.554 -0.484 0.000 2.823 668 T HA 0.514 4.864 4.350 0.001 0.000 0.279 668 T C -0.940 173.337 174.700 -0.706 0.000 0.998 668 T CA -0.385 61.472 62.100 -0.404 0.000 0.994 668 T CB 0.533 69.300 68.868 -0.168 0.000 0.960 668 T HN 0.225 nan 8.240 nan 0.000 0.448 669 F N 2.341 122.070 119.950 -0.368 0.000 2.561 669 F HA 0.664 5.192 4.527 0.001 0.000 0.321 669 F C -0.342 175.354 175.800 -0.173 0.000 1.065 669 F CA -1.151 56.642 58.000 -0.345 0.000 0.934 669 F CB 1.546 40.130 39.000 -0.693 0.000 1.215 669 F HN 0.596 nan 8.300 nan 0.000 0.471 670 Y N 0.706 120.918 120.300 -0.148 0.000 2.602 670 Y HA 0.941 5.491 4.550 0.001 0.000 0.342 670 Y C -1.483 174.298 175.900 -0.199 0.000 1.029 670 Y CA -2.127 55.724 58.100 -0.415 0.000 1.080 670 Y CB 1.360 39.144 38.460 -1.127 0.000 1.284 670 Y HN 0.800 nan 8.280 nan 0.000 0.485 671 A N 2.819 125.236 122.820 -0.671 0.000 2.549 671 A HA 0.803 5.124 4.320 0.001 0.000 0.297 671 A C -1.423 175.785 177.584 -0.625 0.000 1.061 671 A CA -1.147 50.349 52.037 -0.902 0.000 0.690 671 A CB 1.631 19.843 19.000 -1.313 0.000 1.287 671 A HN 0.858 nan 8.150 nan 0.000 0.402 672 R N 0.053 120.220 120.500 -0.554 0.000 2.474 672 R HA 0.726 5.067 4.340 0.001 0.000 0.295 672 R C -1.394 174.723 176.300 -0.305 0.000 0.980 672 R CA -0.451 55.457 56.100 -0.319 0.000 0.934 672 R CB 1.686 31.845 30.300 -0.234 0.000 1.101 672 R HN 0.643 nan 8.270 nan 0.000 0.469 673 L N 2.683 123.774 121.223 -0.219 0.000 2.439 673 L HA 0.356 4.697 4.340 0.001 0.000 0.270 673 L C -1.095 175.689 176.870 -0.142 0.000 0.972 673 L CA -0.576 54.139 54.840 -0.208 0.000 0.836 673 L CB 1.756 43.682 42.059 -0.222 0.000 1.255 673 L HN 0.591 nan 8.230 nan 0.000 0.404 674 N N 3.442 122.074 118.700 -0.114 0.000 2.430 674 N HA 0.056 4.796 4.740 0.001 0.000 0.265 674 N C 1.021 176.544 175.510 0.023 0.000 1.100 674 N CA 0.089 53.109 53.050 -0.050 0.000 0.961 674 N CB 1.890 40.349 38.487 -0.047 0.000 1.075 674 N HN 0.651 nan 8.380 nan 0.000 0.478 675 V N 1.927 121.890 119.914 0.081 0.000 2.809 675 V HA -0.088 4.033 4.120 0.001 0.000 0.256 675 V C 1.366 177.615 176.094 0.260 0.000 1.080 675 V CA 1.394 63.848 62.300 0.257 0.000 1.102 675 V CB -0.613 31.365 31.823 0.259 0.000 0.705 675 V HN 0.609 nan 8.190 nan 0.000 0.475 676 N N 1.369 120.149 118.700 0.133 0.000 2.270 676 N HA -0.068 4.673 4.740 0.001 0.000 0.181 676 N C 1.452 177.030 175.510 0.114 0.000 1.016 676 N CA 1.265 54.374 53.050 0.099 0.000 0.870 676 N CB -0.226 38.290 38.487 0.049 0.000 0.979 676 N HN 0.528 nan 8.380 nan 0.000 0.431 677 N N 0.302 119.060 118.700 0.097 0.000 2.416 677 N HA -0.129 4.612 4.740 0.001 0.000 0.177 677 N C -0.052 175.540 175.510 0.137 0.000 1.036 677 N CA 0.206 53.301 53.050 0.074 0.000 0.901 677 N CB -0.121 38.369 38.487 0.005 0.000 0.976 677 N HN 0.357 nan 8.380 nan 0.000 0.444 678 W N 2.375 123.635 121.300 -0.067 0.000 6.840 678 W HA -0.247 4.414 4.660 0.001 0.000 0.413 678 W C -0.787 175.668 176.519 -0.107 0.000 1.605 678 W CA 0.482 57.778 57.345 -0.081 0.000 1.122 678 W CB -1.266 28.163 29.460 -0.051 0.000 2.811 678 W HN 0.046 nan 8.180 nan 0.000 1.578 679 N N 1.004 119.527 118.700 -0.295 0.000 2.503 679 N HA 0.418 5.158 4.740 0.001 0.000 0.287 679 N C 0.021 175.334 175.510 -0.329 0.000 1.096 679 N CA 0.448 53.324 53.050 -0.290 0.000 0.936 679 N CB 1.482 39.892 38.487 -0.128 0.000 1.570 679 N HN 0.010 nan 8.380 nan 0.000 0.504 680 A N 2.563 125.146 122.820 -0.395 0.000 2.308 680 A HA 0.142 4.463 4.320 0.001 0.000 0.217 680 A C 0.930 178.397 177.584 -0.196 0.000 1.216 680 A CA 0.275 52.101 52.037 -0.351 0.000 0.864 680 A CB 0.043 18.709 19.000 -0.557 0.000 0.902 680 A HN 0.646 nan 8.150 nan 0.000 0.499 681 D N 0.843 121.143 120.400 -0.166 0.000 2.190 681 D HA -0.117 4.523 4.640 0.001 0.000 0.200 681 D C 0.443 176.709 176.300 -0.057 0.000 0.992 681 D CA 1.327 55.266 54.000 -0.102 0.000 0.854 681 D CB 0.016 40.765 40.800 -0.085 0.000 0.936 681 D HN 0.413 nan 8.370 nan 0.000 0.462 682 D N -0.144 120.208 120.400 -0.081 0.000 2.670 682 D HA 0.124 4.764 4.640 0.001 0.000 0.255 682 D C 0.324 176.551 176.300 -0.121 0.000 1.286 682 D CA -0.339 53.626 54.000 -0.059 0.000 0.830 682 D CB 0.586 41.357 40.800 -0.049 0.000 1.065 682 D HN 0.207 nan 8.370 nan 0.000 0.486 683 I N 1.559 122.028 120.570 -0.169 0.000 2.775 683 I HA -0.118 4.052 4.170 0.001 0.000 0.290 683 I C 0.058 175.961 176.117 -0.356 0.000 1.203 683 I CA 0.564 61.664 61.300 -0.333 0.000 1.433 683 I CB 0.478 38.232 38.000 -0.410 0.000 1.354 683 I HN -0.125 nan 8.210 nan 0.000 0.579 684 E N 6.974 126.872 120.200 -0.504 0.000 2.073 684 E HA 0.171 4.522 4.350 0.001 0.000 0.269 684 E C -1.632 174.660 176.600 -0.513 0.000 0.917 684 E CA -0.355 55.734 56.400 -0.519 0.000 0.757 684 E CB 0.690 29.817 29.700 -0.955 0.000 1.111 684 E HN 0.484 nan 8.360 nan 0.000 0.410 685 W N 3.117 124.334 121.300 -0.138 0.000 2.388 685 W HA 0.269 4.930 4.660 0.001 0.000 0.308 685 W C -0.423 176.050 176.519 -0.076 0.000 1.263 685 W CA -0.669 56.528 57.345 -0.247 0.000 1.286 685 W CB 0.807 29.957 29.460 -0.517 0.000 1.294 685 W HN 0.199 nan 8.180 nan 0.000 0.493 686 V N 4.472 124.451 119.914 0.108 0.000 2.357 686 V HA 0.090 4.210 4.120 0.001 0.000 0.284 686 V C 0.072 176.186 176.094 0.034 0.000 1.018 686 V CA -1.176 61.159 62.300 0.057 0.000 0.841 686 V CB 1.038 32.837 31.823 -0.039 0.000 0.991 686 V HN 0.410 nan 8.190 nan 0.000 0.437 687 N N 4.201 122.754 118.700 -0.245 0.000 2.427 687 N HA 0.162 4.903 4.740 0.001 0.000 0.269 687 N C 0.573 175.928 175.510 -0.259 0.000 1.235 687 N CA 0.072 52.735 53.050 -0.646 0.000 0.934 687 N CB 0.567 38.628 38.487 -0.711 0.000 1.121 687 N HN 0.722 nan 8.380 nan 0.000 0.480 688 I N -0.397 120.022 120.570 -0.251 0.000 4.312 688 I HA 0.371 4.541 4.170 0.001 0.000 0.324 688 I C 0.540 176.637 176.117 -0.033 0.000 1.298 688 I CA -0.261 60.965 61.300 -0.124 0.000 1.231 688 I CB 0.510 38.342 38.000 -0.279 0.000 1.152 688 I HN 0.325 nan 8.210 nan 0.000 0.421 689 T N 0.107 114.619 114.554 -0.071 0.000 2.942 689 T HA 0.381 4.732 4.350 0.001 0.000 0.327 689 T C -2.046 172.651 174.700 -0.004 0.000 1.360 689 T CA -0.503 61.629 62.100 0.054 0.000 1.055 689 T CB 1.885 70.890 68.868 0.228 0.000 1.261 689 T HN 0.052 nan 8.240 nan 0.000 0.485 690 D N 2.319 122.740 120.400 0.034 0.000 2.248 690 D HA 0.680 5.320 4.640 0.001 0.000 0.246 690 D C -0.335 175.993 176.300 0.046 0.000 1.027 690 D CA -0.240 53.788 54.000 0.046 0.000 0.853 690 D CB 2.025 42.879 40.800 0.089 0.000 1.243 690 D HN 0.327 nan 8.370 nan 0.000 0.462 691 Q N 0.361 120.176 119.800 0.025 0.000 2.385 691 Q HA 0.668 5.008 4.340 0.001 0.000 0.262 691 Q C -0.575 175.342 176.000 -0.139 0.000 1.050 691 Q CA -0.645 55.097 55.803 -0.102 0.000 0.903 691 Q CB 1.703 30.405 28.738 -0.061 0.000 1.325 691 Q HN 0.401 nan 8.270 nan 0.000 0.485 692 I N 0.703 121.100 120.570 -0.289 0.000 2.474 692 I HA 0.318 4.489 4.170 0.001 0.000 0.294 692 I C -1.223 174.731 176.117 -0.272 0.000 1.005 692 I CA -0.983 60.041 61.300 -0.461 0.000 1.113 692 I CB 1.387 38.947 38.000 -0.733 0.000 1.289 692 I HN 0.511 nan 8.210 nan 0.000 0.436 693 Y N 5.769 125.876 120.300 -0.322 0.000 2.331 693 Y HA 0.227 4.777 4.550 0.001 0.000 0.338 693 Y C 1.013 176.785 175.900 -0.214 0.000 0.976 693 Y CA -0.195 57.781 58.100 -0.205 0.000 1.137 693 Y CB 1.260 39.654 38.460 -0.109 0.000 1.172 693 Y HN 0.586 nan 8.280 nan 0.000 0.478 694 Q N 4.467 123.760 119.800 -0.846 0.000 2.083 694 Q HA 0.049 4.390 4.340 0.001 0.000 0.198 694 Q C 1.458 177.067 176.000 -0.652 0.000 0.969 694 Q CA 1.924 57.353 55.803 -0.624 0.000 0.838 694 Q CB -0.192 28.281 28.738 -0.442 0.000 0.900 694 Q HN 1.267 nan 8.270 nan 0.000 0.436 695 G N -1.450 106.690 108.800 -1.099 0.000 2.175 695 G HA2 -0.261 3.700 3.960 0.001 0.000 0.244 695 G HA3 -0.261 3.700 3.960 0.001 0.000 0.244 695 G C 0.865 175.686 174.900 -0.131 0.000 0.982 695 G CA 0.659 45.419 45.100 -0.566 0.000 0.641 695 G HN 0.579 nan 8.290 nan 0.000 0.527 696 G N 0.210 108.926 108.800 -0.140 0.000 2.484 696 G HA2 0.391 4.352 3.960 0.001 0.000 0.218 696 G HA3 0.391 4.352 3.960 0.001 0.000 0.218 696 G C 0.867 175.912 174.900 0.241 0.000 1.130 696 G CA 1.295 46.427 45.100 0.054 0.000 0.784 696 G HN 1.548 nan 8.290 nan 0.000 0.543 697 I N -4.587 116.057 120.570 0.124 0.000 3.074 697 I HA 0.536 4.706 4.170 0.001 0.000 0.310 697 I C 1.083 177.165 176.117 -0.059 0.000 1.153 697 I CA -1.134 60.288 61.300 0.203 0.000 0.993 697 I CB 1.832 39.919 38.000 0.144 0.000 1.237 697 I HN -0.201 nan 8.210 nan 0.000 0.443 698 V N 2.709 122.509 119.914 -0.192 0.000 2.343 698 V HA -0.157 3.963 4.120 0.001 0.000 0.247 698 V C 1.035 177.039 176.094 -0.151 0.000 1.051 698 V CA 1.820 63.867 62.300 -0.422 0.000 1.036 698 V CB -0.896 30.782 31.823 -0.243 0.000 0.654 698 V HN 0.922 nan 8.190 nan 0.000 0.451 699 N N 0.321 118.946 118.700 -0.125 0.000 2.444 699 N HA 0.297 5.038 4.740 0.001 0.000 0.255 699 N C -0.523 175.026 175.510 0.065 0.000 1.255 699 N CA 0.505 53.417 53.050 -0.231 0.000 0.933 699 N CB 0.880 38.855 38.487 -0.853 0.000 1.143 699 N HN 0.288 nan 8.380 nan 0.000 0.453 700 S N -1.122 114.671 115.700 0.154 0.000 2.538 700 S HA 0.586 5.056 4.470 0.001 0.000 0.288 700 S C 0.586 175.412 174.600 0.377 0.000 1.108 700 S CA -0.841 57.552 58.200 0.321 0.000 0.971 700 S CB 1.099 64.412 63.200 0.190 0.000 1.041 700 S HN 0.664 nan 8.310 nan 0.000 0.483 701 G N 2.153 111.113 108.800 0.268 0.000 3.042 701 G HA2 0.232 4.193 3.960 0.001 0.000 0.212 701 G HA3 0.232 4.193 3.960 0.001 0.000 0.212 701 G C 0.499 175.382 174.900 -0.028 0.000 1.166 701 G CA 0.427 45.562 45.100 0.059 0.000 0.767 701 G HN 0.909 nan 8.290 nan 0.000 0.546 702 V N -0.029 119.930 119.914 0.074 0.000 2.686 702 V HA 0.674 4.794 4.120 0.001 0.000 0.295 702 V C 0.969 177.172 176.094 0.181 0.000 1.055 702 V CA 0.857 63.217 62.300 0.100 0.000 1.050 702 V CB 0.743 32.632 31.823 0.110 0.000 0.984 702 V HN 1.285 nan 8.190 nan 0.000 0.482 703 G N 3.533 112.527 108.800 0.323 0.000 2.509 703 G HA2 -0.051 3.910 3.960 0.001 0.000 0.256 703 G HA3 -0.051 3.910 3.960 0.001 0.000 0.256 703 G C 0.512 175.597 174.900 0.308 0.000 1.152 703 G CA 0.587 45.928 45.100 0.403 0.000 0.951 703 G HN 2.498 nan 8.290 nan 0.000 0.559 704 V N -2.311 117.789 119.914 0.310 0.000 5.678 704 V HA 0.139 4.259 4.120 0.001 0.000 0.205 704 V C 1.157 177.450 176.094 0.332 0.000 0.703 704 V CA 1.967 64.463 62.300 0.325 0.000 0.545 704 V CB -1.964 30.050 31.823 0.319 0.000 0.202 704 V HN 2.522 nan 8.190 nan 0.000 0.481 705 G N 0.129 109.159 108.800 0.383 0.000 2.890 705 G HA2 0.790 4.751 3.960 0.001 0.000 0.189 705 G HA3 0.790 4.751 3.960 0.001 0.000 0.189 705 G C -0.271 174.837 174.900 0.347 0.000 1.342 705 G CA -0.239 45.032 45.100 0.284 0.000 1.026 705 G HN 1.741 nan 8.290 nan 0.000 0.579 706 S N -2.604 113.277 115.700 0.302 0.000 2.565 706 S HA 0.607 5.078 4.470 0.001 0.000 0.269 706 S C -1.727 173.070 174.600 0.327 0.000 1.153 706 S CA -0.493 57.892 58.200 0.308 0.000 0.835 706 S CB 1.773 65.107 63.200 0.224 0.000 1.122 706 S HN 0.768 nan 8.310 nan 0.000 0.462 707 V N 2.839 122.937 119.914 0.306 0.000 2.709 707 V HA 0.837 4.957 4.120 0.001 0.000 0.308 707 V C -0.513 175.736 176.094 0.258 0.000 1.062 707 V CA -0.449 62.031 62.300 0.300 0.000 0.901 707 V CB 1.611 33.647 31.823 0.355 0.000 1.003 707 V HN 1.059 nan 8.190 nan 0.000 0.425 708 V N 2.119 122.200 119.914 0.279 0.000 3.114 708 V HA 0.852 4.973 4.120 0.001 0.000 0.308 708 V C -1.026 175.277 176.094 0.348 0.000 1.168 708 V CA -0.859 61.603 62.300 0.270 0.000 1.015 708 V CB 2.097 34.035 31.823 0.192 0.000 1.050 708 V HN 0.485 nan 8.190 nan 0.000 0.433 709 V N 1.905 122.005 119.914 0.310 0.000 2.495 709 V HA 0.631 4.751 4.120 0.001 0.000 0.298 709 V C -0.210 176.062 176.094 0.298 0.000 1.031 709 V CA -0.500 61.994 62.300 0.324 0.000 0.871 709 V CB 1.651 33.624 31.823 0.251 0.000 0.988 709 V HN 1.030 nan 8.190 nan 0.000 0.432 710 K N 3.965 124.593 120.400 0.381 0.000 2.507 710 K HA 0.401 4.721 4.320 0.001 0.000 0.252 710 K C -0.376 176.394 176.600 0.282 0.000 0.943 710 K CA -0.432 56.019 56.287 0.273 0.000 0.808 710 K CB 1.237 33.842 32.500 0.176 0.000 1.142 710 K HN 0.839 nan 8.250 nan 0.000 0.426 711 D N 1.600 122.112 120.400 0.187 0.000 3.771 711 D HA -0.306 4.335 4.640 0.001 0.000 0.145 711 D C 0.290 176.675 176.300 0.143 0.000 0.892 711 D CA 1.873 55.968 54.000 0.159 0.000 1.080 711 D CB -0.588 40.315 40.800 0.171 0.000 0.498 711 D HN 0.894 nan 8.370 nan 0.000 0.499 712 N N 0.949 119.728 118.700 0.131 0.000 2.321 712 N HA 0.066 4.807 4.740 0.001 0.000 0.242 712 N C -0.737 174.579 175.510 -0.324 0.000 1.141 712 N CA 0.045 53.050 53.050 -0.075 0.000 0.864 712 N CB 0.069 38.463 38.487 -0.155 0.000 1.100 712 N HN 0.400 nan 8.380 nan 0.000 0.510 713 Y N 0.121 120.438 120.300 0.028 0.000 2.499 713 Y HA 0.544 5.095 4.550 0.001 0.000 0.347 713 Y C -0.308 175.545 175.900 -0.078 0.000 0.987 713 Y CA -1.089 56.944 58.100 -0.110 0.000 1.044 713 Y CB 2.221 40.498 38.460 -0.304 0.000 1.245 713 Y HN -0.099 nan 8.280 nan 0.000 0.461 714 I N 2.139 122.712 120.570 0.005 0.000 2.562 714 I HA 0.505 4.676 4.170 0.001 0.000 0.301 714 I C -1.714 174.372 176.117 -0.052 0.000 1.003 714 I CA -0.843 60.533 61.300 0.128 0.000 1.127 714 I CB 1.280 39.432 38.000 0.253 0.000 1.304 714 I HN 0.585 nan 8.210 nan 0.000 0.446 715 Y N 6.136 126.530 120.300 0.156 0.000 2.406 715 Y HA 0.359 4.909 4.550 0.001 0.000 0.340 715 Y C -1.201 174.723 175.900 0.042 0.000 0.975 715 Y CA -0.680 57.490 58.100 0.117 0.000 1.056 715 Y CB 1.608 40.153 38.460 0.141 0.000 1.210 715 Y HN 0.417 nan 8.280 nan 0.000 0.448 716 Y N 4.246 124.486 120.300 -0.101 0.000 2.334 716 Y HA 0.672 5.223 4.550 0.001 0.000 0.336 716 Y C -1.396 174.622 175.900 0.197 0.000 0.960 716 Y CA -1.838 56.133 58.100 -0.215 0.000 1.164 716 Y CB 0.958 38.824 38.460 -0.990 0.000 1.155 716 Y HN 0.671 nan 8.280 nan 0.000 0.478 717 M N 8.914 128.480 119.600 -0.056 0.000 2.205 717 M HA 0.512 4.992 4.480 0.001 0.000 0.344 717 M C -1.318 174.910 176.300 -0.120 0.000 1.085 717 M CA -0.289 54.969 55.300 -0.070 0.000 1.001 717 M CB 0.909 33.478 32.600 -0.052 0.000 1.626 717 M HN 0.592 nan 8.290 nan 0.000 0.442 718 F N -0.275 119.404 119.950 -0.451 0.000 2.741 718 F HA 0.933 5.460 4.527 0.001 0.000 0.313 718 F C -0.205 175.490 175.800 -0.175 0.000 1.153 718 F CA -1.488 56.289 58.000 -0.372 0.000 0.931 718 F CB 0.662 39.277 39.000 -0.642 0.000 1.335 718 F HN 0.544 nan 8.300 nan 0.000 0.460 719 G N -0.584 108.131 108.800 -0.142 0.000 2.504 719 G HA2 0.595 4.556 3.960 0.001 0.000 0.288 719 G HA3 0.595 4.556 3.960 0.001 0.000 0.288 719 G C -0.702 174.086 174.900 -0.186 0.000 1.182 719 G CA -0.506 44.471 45.100 -0.204 0.000 0.894 719 G HN 1.354 nan 8.290 nan 0.000 0.521 720 G N -0.548 108.195 108.800 -0.094 0.000 2.732 720 G HA2 0.567 4.528 3.960 0.001 0.000 0.296 720 G HA3 0.567 4.528 3.960 0.001 0.000 0.296 720 G C -0.904 173.958 174.900 -0.064 0.000 1.448 720 G CA -0.640 44.370 45.100 -0.151 0.000 0.911 720 G HN 0.573 nan 8.290 nan 0.000 0.528 721 E N -0.611 119.493 120.200 -0.159 0.000 2.446 721 E HA 0.608 4.959 4.350 0.001 0.000 0.251 721 E C -0.634 175.812 176.600 -0.257 0.000 1.087 721 E CA -0.698 55.578 56.400 -0.207 0.000 0.937 721 E CB 1.387 30.934 29.700 -0.254 0.000 1.254 721 E HN 0.649 nan 8.360 nan 0.000 0.479 722 D N -1.917 118.297 120.400 -0.311 0.000 2.781 722 D HA 0.168 4.809 4.640 0.001 0.000 0.295 722 D C 0.250 176.231 176.300 -0.531 0.000 1.143 722 D CA -0.561 53.185 54.000 -0.424 0.000 1.076 722 D CB 0.205 40.819 40.800 -0.310 0.000 1.444 722 D HN 0.338 nan 8.370 nan 0.000 0.567 723 H N -1.123 117.647 119.070 -0.499 0.000 2.543 723 H HA 0.174 4.730 4.556 0.001 0.000 0.269 723 H C -0.227 174.867 175.328 -0.390 0.000 1.005 723 H CA 0.058 55.842 56.048 -0.440 0.000 1.146 723 H CB -0.234 29.302 29.762 -0.376 0.000 1.353 723 H HN 0.176 nan 8.280 nan 0.000 0.595 724 F N 2.019 121.892 119.950 -0.129 0.000 2.438 724 F HA 0.072 4.599 4.527 0.001 0.000 0.360 724 F C 1.235 176.795 175.800 -0.401 0.000 1.118 724 F CA -1.016 56.857 58.000 -0.213 0.000 1.164 724 F CB -0.044 38.859 39.000 -0.161 0.000 1.131 724 F HN -0.016 nan 8.300 nan 0.000 0.527 725 N N 6.199 124.621 118.700 -0.462 0.000 2.454 725 N HA 0.010 4.751 4.740 0.001 0.000 0.260 725 N C -1.481 173.417 175.510 -1.020 0.000 1.218 725 N CA -1.057 51.457 53.050 -0.894 0.000 0.904 725 N CB 1.261 38.798 38.487 -1.582 0.000 1.065 725 N HN 0.210 nan 8.380 nan 0.000 0.462 726 P HA -0.053 nan 4.420 nan 0.000 0.229 726 P C -0.463 176.705 177.300 -0.221 0.000 1.160 726 P CA 0.709 63.593 63.100 -0.361 0.000 0.777 726 P CB -0.086 31.590 31.700 -0.040 0.000 0.814 727 W N -1.741 119.560 121.300 0.002 0.000 4.435 727 W HA -0.191 4.469 4.660 0.000 0.000 0.351 727 W C 1.186 177.688 176.519 -0.028 0.000 1.319 727 W CA 0.132 57.481 57.345 0.007 0.000 0.791 727 W CB -3.144 26.313 29.460 -0.005 0.000 2.419 727 W HN -0.082 nan 8.180 nan 0.000 1.406 728 T N -1.101 113.489 114.554 0.060 0.000 2.684 728 T HA -0.227 4.123 4.350 0.001 0.000 0.267 728 T C 0.485 175.031 174.700 -0.257 0.000 1.036 728 T CA 1.569 63.580 62.100 -0.147 0.000 1.148 728 T CB -0.272 68.389 68.868 -0.346 0.000 0.863 728 T HN 0.175 nan 8.240 nan 0.000 0.436 729 Y N 1.331 121.755 120.300 0.206 0.000 2.691 729 Y HA 0.543 5.093 4.550 0.001 0.000 0.338 729 Y C 0.975 177.015 175.900 0.234 0.000 1.148 729 Y CA -0.469 57.743 58.100 0.187 0.000 1.430 729 Y CB 0.379 38.941 38.460 0.169 0.000 1.303 729 Y HN 0.312 nan 8.280 nan 0.000 0.499 730 G N 1.465 110.422 108.800 0.262 0.000 2.398 730 G HA2 -0.075 3.886 3.960 0.001 0.000 0.251 730 G HA3 -0.075 3.886 3.960 0.001 0.000 0.251 730 G C -0.829 174.132 174.900 0.101 0.000 1.277 730 G CA -0.326 44.885 45.100 0.184 0.000 0.927 730 G HN 0.384 nan 8.290 nan 0.000 0.477 731 D N -0.623 119.796 120.400 0.030 0.000 2.336 731 D HA 0.057 4.697 4.640 0.001 0.000 0.229 731 D C 0.667 177.003 176.300 0.059 0.000 1.061 731 D CA 0.433 54.438 54.000 0.009 0.000 0.875 731 D CB -0.025 40.734 40.800 -0.069 0.000 0.904 731 D HN 0.398 nan 8.370 nan 0.000 0.525 732 N N 0.055 118.824 118.700 0.114 0.000 2.622 732 N HA 0.015 4.756 4.740 0.001 0.000 0.304 732 N C 0.689 176.250 175.510 0.086 0.000 1.844 732 N CA 0.104 53.218 53.050 0.106 0.000 0.886 732 N CB 0.565 39.131 38.487 0.131 0.000 1.366 732 N HN 0.083 nan 8.380 nan 0.000 0.491 733 S N -0.716 115.021 115.700 0.062 0.000 2.419 733 S HA -0.179 4.291 4.470 0.001 0.000 0.235 733 S C 1.953 176.582 174.600 0.047 0.000 1.019 733 S CA 1.052 59.271 58.200 0.031 0.000 0.982 733 S CB -0.156 63.065 63.200 0.035 0.000 0.789 733 S HN 0.391 nan 8.310 nan 0.000 0.490 734 A N 1.355 124.214 122.820 0.064 0.000 2.168 734 A HA 0.172 4.492 4.320 0.001 0.000 0.215 734 A C 1.264 178.911 177.584 0.105 0.000 1.152 734 A CA 0.960 53.042 52.037 0.074 0.000 0.716 734 A CB -0.648 18.396 19.000 0.073 0.000 0.794 734 A HN 0.555 nan 8.150 nan 0.000 0.465 735 K N -0.880 119.598 120.400 0.130 0.000 3.339 735 K HA -0.165 4.156 4.320 0.001 0.000 0.299 735 K C -0.478 176.278 176.600 0.261 0.000 1.270 735 K CA 0.720 57.153 56.287 0.243 0.000 0.875 735 K CB -1.525 31.108 32.500 0.222 0.000 1.298 735 K HN 0.626 nan 8.250 nan 0.000 0.485 736 D N 0.784 121.257 120.400 0.123 0.000 2.451 736 D HA -0.010 4.631 4.640 0.001 0.000 0.254 736 D C -1.373 174.864 176.300 -0.105 0.000 1.204 736 D CA -1.573 52.462 54.000 0.059 0.000 0.896 736 D CB 0.989 41.832 40.800 0.072 0.000 1.136 736 D HN -0.004 nan 8.370 nan 0.000 0.499 737 P HA -0.089 nan 4.420 nan 0.000 0.219 737 P C 0.565 177.379 177.300 -0.810 0.000 1.146 737 P CA 0.950 63.645 63.100 -0.675 0.000 0.808 737 P CB 0.001 30.948 31.700 -1.256 0.000 0.779 738 F N -1.201 118.701 119.950 -0.081 0.000 2.693 738 F HA 0.154 4.682 4.527 0.001 0.000 0.303 738 F C 1.053 176.832 175.800 -0.035 0.000 1.097 738 F CA -0.095 57.868 58.000 -0.061 0.000 1.330 738 F CB -0.451 38.529 39.000 -0.033 0.000 1.067 738 F HN -0.326 nan 8.300 nan 0.000 0.565 739 K N 0.844 121.260 120.400 0.027 0.000 2.205 739 K HA 0.286 4.607 4.320 0.001 0.000 0.279 739 K C 1.002 177.605 176.600 0.005 0.000 1.027 739 K CA 0.393 56.700 56.287 0.033 0.000 0.932 739 K CB 1.482 34.005 32.500 0.039 0.000 1.032 739 K HN 0.195 nan 8.250 nan 0.000 0.466 740 S N 2.530 118.248 115.700 0.030 0.000 4.050 740 S HA -0.273 4.197 4.470 0.001 0.000 0.602 740 S C 0.657 175.223 174.600 -0.056 0.000 2.030 740 S CA 1.860 60.075 58.200 0.026 0.000 4.208 740 S CB -0.972 62.323 63.200 0.158 0.000 0.290 740 S HN 0.772 nan 8.310 nan 0.000 0.615 741 D N 3.226 123.563 120.400 -0.104 0.000 2.340 741 D HA 0.355 4.996 4.640 0.001 0.000 0.220 741 D C 1.436 177.613 176.300 -0.205 0.000 1.039 741 D CA 1.263 55.133 54.000 -0.216 0.000 0.866 741 D CB -0.359 40.217 40.800 -0.373 0.000 0.913 741 D HN 1.029 nan 8.370 nan 0.000 0.523 742 G N 1.032 109.679 108.800 -0.254 0.000 2.574 742 G HA2 -0.285 3.676 3.960 0.001 0.000 0.282 742 G HA3 -0.285 3.676 3.960 0.001 0.000 0.282 742 G C -0.470 174.139 174.900 -0.484 0.000 1.257 742 G CA -0.209 44.639 45.100 -0.419 0.000 0.956 742 G HN 0.470 nan 8.290 nan 0.000 0.560 743 H N 1.945 120.933 119.070 -0.136 0.000 2.467 743 H HA 0.466 5.023 4.556 0.001 0.000 0.326 743 H C -1.182 174.012 175.328 -0.223 0.000 1.094 743 H CA -1.211 54.742 56.048 -0.159 0.000 1.253 743 H CB 1.894 31.611 29.762 -0.075 0.000 1.439 743 H HN 0.341 nan 8.280 nan 0.000 0.479 744 P HA -0.073 nan 4.420 nan 0.000 0.236 744 P C 0.400 177.556 177.300 -0.240 0.000 1.177 744 P CA 0.370 63.371 63.100 -0.165 0.000 0.773 744 P CB 0.472 32.058 31.700 -0.190 0.000 0.878 745 S N 0.569 116.019 115.700 -0.416 0.000 2.505 745 S HA 0.197 4.667 4.470 0.001 0.000 0.276 745 S C -0.201 174.220 174.600 -0.297 0.000 1.274 745 S CA -0.158 57.787 58.200 -0.425 0.000 1.053 745 S CB -0.116 62.632 63.200 -0.753 0.000 0.919 745 S HN -0.042 nan 8.310 nan 0.000 0.490 746 D N 2.389 122.637 120.400 -0.254 0.000 2.610 746 D HA 0.362 5.002 4.640 0.001 0.000 0.271 746 D C -0.812 175.212 176.300 -0.459 0.000 1.174 746 D CA -0.518 53.272 54.000 -0.351 0.000 0.949 746 D CB 1.405 41.978 40.800 -0.377 0.000 1.430 746 D HN 0.430 nan 8.370 nan 0.000 0.467 747 L N 1.348 122.187 121.223 -0.640 0.000 2.334 747 L HA 0.399 4.740 4.340 0.001 0.000 0.277 747 L C -0.790 175.530 176.870 -0.916 0.000 1.075 747 L CA -0.456 53.989 54.840 -0.658 0.000 0.804 747 L CB 0.485 42.144 42.059 -0.667 0.000 1.174 747 L HN 0.315 nan 8.230 nan 0.000 0.438 748 Y N 0.842 120.713 120.300 -0.714 0.000 2.630 748 Y HA 0.518 5.068 4.550 0.001 0.000 0.337 748 Y C -0.142 175.433 175.900 -0.540 0.000 1.051 748 Y CA -0.755 56.950 58.100 -0.658 0.000 1.121 748 Y CB 1.985 39.977 38.460 -0.780 0.000 1.299 748 Y HN 0.465 nan 8.280 nan 0.000 0.498 749 C N 1.938 121.204 119.300 -0.057 0.000 2.516 749 C HA 0.474 4.934 4.460 0.001 0.000 0.338 749 C C -1.486 173.730 174.990 0.377 0.000 1.132 749 C CA -0.845 58.248 59.018 0.126 0.000 1.310 749 C CB -0.805 26.920 27.740 -0.024 0.000 1.898 749 C HN 0.791 nan 8.230 nan 0.000 0.452 750 Y N 5.339 125.868 120.300 0.381 0.000 2.383 750 Y HA 0.408 4.959 4.550 0.001 0.000 0.344 750 Y C 0.424 176.437 175.900 0.187 0.000 0.986 750 Y CA 0.293 58.579 58.100 0.311 0.000 1.175 750 Y CB 0.407 39.045 38.460 0.297 0.000 1.152 750 Y HN 0.720 nan 8.280 nan 0.000 0.511 751 K N 8.333 128.717 120.400 -0.027 0.000 2.263 751 K HA 0.372 4.693 4.320 0.001 0.000 0.272 751 K C -1.305 175.272 176.600 -0.038 0.000 1.033 751 K CA -0.625 55.596 56.287 -0.110 0.000 0.884 751 K CB 0.684 33.126 32.500 -0.096 0.000 1.107 751 K HN 0.845 nan 8.250 nan 0.000 0.460 752 M N 4.687 124.349 119.600 0.104 0.000 2.321 752 M HA 0.257 4.737 4.480 0.001 0.000 0.315 752 M C -1.003 175.361 176.300 0.106 0.000 1.052 752 M CA -0.782 54.641 55.300 0.206 0.000 0.936 752 M CB 1.527 34.296 32.600 0.281 0.000 1.639 752 M HN 0.552 nan 8.290 nan 0.000 0.433 753 K N 3.261 123.675 120.400 0.023 0.000 2.350 753 K HA 0.181 4.502 4.320 0.001 0.000 0.279 753 K C -0.243 176.209 176.600 -0.247 0.000 1.027 753 K CA 0.155 56.218 56.287 -0.375 0.000 0.969 753 K CB 0.699 33.007 32.500 -0.321 0.000 0.954 753 K HN 0.769 nan 8.250 nan 0.000 0.474 754 I N 2.074 122.454 120.570 -0.317 0.000 4.655 754 I HA 0.312 4.482 4.170 0.001 0.000 0.333 754 I C 0.182 176.217 176.117 -0.137 0.000 1.312 754 I CA 0.077 61.289 61.300 -0.147 0.000 1.270 754 I CB 1.148 39.110 38.000 -0.064 0.000 1.318 754 I HN 0.763 nan 8.210 nan 0.000 0.456 755 G N 0.469 109.147 108.800 -0.204 0.000 2.682 755 G HA2 0.557 4.517 3.960 0.001 0.000 0.290 755 G HA3 0.557 4.517 3.960 0.001 0.000 0.290 755 G C -3.088 171.717 174.900 -0.158 0.000 1.425 755 G CA -0.958 44.061 45.100 -0.136 0.000 0.807 755 G HN -0.253 nan 8.290 nan 0.000 0.482 756 P HA 0.206 nan 4.420 nan 0.000 0.271 756 P C -1.186 176.083 177.300 -0.052 0.000 1.216 756 P CA -0.021 63.038 63.100 -0.068 0.000 0.776 756 P CB 1.376 33.053 31.700 -0.038 0.000 0.881 757 D N 2.147 122.532 120.400 -0.025 0.000 2.427 757 D HA 0.145 4.786 4.640 0.001 0.000 0.226 757 D C 0.050 176.370 176.300 0.034 0.000 1.076 757 D CA -0.290 53.728 54.000 0.030 0.000 0.849 757 D CB -0.085 40.767 40.800 0.086 0.000 1.052 757 D HN 0.188 nan 8.370 nan 0.000 0.515 758 N N 2.193 120.913 118.700 0.033 0.000 2.313 758 N HA 0.095 4.836 4.740 0.001 0.000 0.207 758 N C 0.096 175.626 175.510 0.033 0.000 1.141 758 N CA 0.058 53.124 53.050 0.027 0.000 0.830 758 N CB 0.642 39.141 38.487 0.021 0.000 1.008 758 N HN 0.091 nan 8.380 nan 0.000 0.481 759 R N -0.053 120.473 120.500 0.045 0.000 2.854 759 R HA 0.447 4.787 4.340 0.001 0.000 0.271 759 R C -0.392 175.935 176.300 0.045 0.000 0.996 759 R CA -0.897 55.229 56.100 0.043 0.000 0.961 759 R CB 1.891 32.221 30.300 0.050 0.000 1.182 759 R HN -0.095 nan 8.270 nan 0.000 0.479 760 V N 1.091 121.028 119.914 0.038 0.000 3.287 760 V HA -0.053 4.068 4.120 0.001 0.000 0.306 760 V C 0.773 176.894 176.094 0.045 0.000 1.103 760 V CA 0.373 62.696 62.300 0.037 0.000 1.159 760 V CB 1.592 33.433 31.823 0.031 0.000 1.036 760 V HN 0.771 nan 8.190 nan 0.000 0.487 761 S N 1.336 117.062 115.700 0.044 0.000 2.560 761 S HA 0.124 4.594 4.470 0.001 0.000 0.284 761 S C 0.842 175.471 174.600 0.049 0.000 1.327 761 S CA -0.211 58.016 58.200 0.044 0.000 1.055 761 S CB 0.113 63.337 63.200 0.040 0.000 0.868 761 S HN 0.607 nan 8.310 nan 0.000 0.506 762 R N 1.809 122.333 120.500 0.039 0.000 2.334 762 R HA 0.287 4.627 4.340 0.001 0.000 0.216 762 R C -0.422 175.925 176.300 0.079 0.000 0.905 762 R CA -0.065 56.073 56.100 0.063 0.000 1.064 762 R CB 0.064 30.385 30.300 0.036 0.000 1.046 762 R HN 0.536 nan 8.270 nan 0.000 0.508 763 D N 0.855 121.262 120.400 0.013 0.000 2.414 763 D HA 0.127 4.767 4.640 0.001 0.000 0.242 763 D C -0.095 176.232 176.300 0.044 0.000 1.129 763 D CA 0.457 54.408 54.000 -0.081 0.000 0.885 763 D CB 0.586 41.350 40.800 -0.059 0.000 1.198 763 D HN 0.008 nan 8.370 nan 0.000 0.437 764 F N -1.386 118.598 119.950 0.057 0.000 2.626 764 F HA 0.558 5.086 4.527 0.001 0.000 0.311 764 F C -0.148 175.703 175.800 0.086 0.000 1.088 764 F CA -1.652 56.381 58.000 0.056 0.000 0.949 764 F CB 1.267 40.294 39.000 0.045 0.000 1.322 764 F HN 0.013 nan 8.300 nan 0.000 0.461 765 R N 1.501 122.197 120.500 0.328 0.000 2.308 765 R HA 0.310 4.651 4.340 0.001 0.000 0.305 765 R C -1.666 174.886 176.300 0.421 0.000 1.053 765 R CA -0.435 55.825 56.100 0.267 0.000 0.957 765 R CB 0.495 30.886 30.300 0.151 0.000 1.022 765 R HN 0.843 nan 8.270 nan 0.000 0.461 766 Y N 3.458 123.931 120.300 0.288 0.000 2.480 766 Y HA 0.303 4.854 4.550 0.001 0.000 0.341 766 Y C 0.813 176.790 175.900 0.127 0.000 1.031 766 Y CA 0.738 58.993 58.100 0.257 0.000 1.295 766 Y CB 1.253 39.859 38.460 0.245 0.000 1.162 766 Y HN 0.879 nan 8.280 nan 0.000 0.523 767 G N 4.151 112.817 108.800 -0.224 0.000 3.528 767 G HA2 0.397 4.358 3.960 0.001 0.000 0.266 767 G HA3 0.397 4.358 3.960 0.001 0.000 0.266 767 G C -0.023 174.713 174.900 -0.275 0.000 1.004 767 G CA 0.283 45.288 45.100 -0.158 0.000 0.853 767 G HN 0.833 nan 8.290 nan 0.000 0.501 768 A N 0.027 122.482 122.820 -0.608 0.000 2.287 768 A HA 0.643 4.964 4.320 0.001 0.000 0.273 768 A C 0.121 177.602 177.584 -0.172 0.000 1.091 768 A CA -0.304 51.483 52.037 -0.416 0.000 0.817 768 A CB 1.026 19.713 19.000 -0.521 0.000 1.069 768 A HN 0.279 nan 8.150 nan 0.000 0.492 769 V N 2.996 122.870 119.914 -0.066 0.000 2.446 769 V HA 0.148 4.269 4.120 0.001 0.000 0.276 769 V C -1.973 174.159 176.094 0.062 0.000 1.030 769 V CA -0.681 61.629 62.300 0.016 0.000 1.033 769 V CB 0.372 32.188 31.823 -0.011 0.000 0.993 769 V HN 0.717 nan 8.190 nan 0.000 0.477 770 P HA 0.126 nan 4.420 nan 0.000 0.265 770 P C 0.139 177.469 177.300 0.050 0.000 1.222 770 P CA 0.409 63.608 63.100 0.166 0.000 0.767 770 P CB 0.127 31.913 31.700 0.144 0.000 0.801 771 N N 2.314 121.030 118.700 0.027 0.000 2.387 771 N HA 0.092 4.833 4.740 0.001 0.000 0.259 771 N C 0.744 176.243 175.510 -0.019 0.000 1.369 771 N CA -0.283 52.738 53.050 -0.048 0.000 0.867 771 N CB 0.256 38.678 38.487 -0.110 0.000 1.341 771 N HN 0.043 nan 8.380 nan 0.000 0.495 772 R N 0.249 120.753 120.500 0.007 0.000 2.123 772 R HA 0.290 4.631 4.340 0.001 0.000 0.209 772 R C 2.004 178.295 176.300 -0.014 0.000 1.078 772 R CA 0.633 56.739 56.100 0.009 0.000 1.028 772 R CB -0.923 29.386 30.300 0.014 0.000 0.939 772 R HN 0.160 nan 8.270 nan 0.000 0.463 773 A N 0.616 123.422 122.820 -0.024 0.000 1.873 773 A HA 0.007 4.327 4.320 0.001 0.000 0.215 773 A C 0.662 178.208 177.584 -0.063 0.000 1.186 773 A CA 1.148 53.157 52.037 -0.047 0.000 0.616 773 A CB 0.113 19.088 19.000 -0.041 0.000 0.823 773 A HN 0.036 nan 8.150 nan 0.000 0.442 774 V N 1.150 121.033 119.914 -0.052 0.000 2.383 774 V HA 0.259 4.379 4.120 0.001 0.000 0.264 774 V C -2.920 173.134 176.094 -0.067 0.000 1.001 774 V CA -1.492 60.778 62.300 -0.050 0.000 0.828 774 V CB 0.986 32.787 31.823 -0.036 0.000 1.069 774 V HN 0.183 nan 8.190 nan 0.000 0.451 775 P HA 0.170 nan 4.420 nan 0.000 0.265 775 P C -0.420 176.728 177.300 -0.252 0.000 1.222 775 P CA 0.389 63.419 63.100 -0.116 0.000 0.767 775 P CB 0.801 32.574 31.700 0.121 0.000 0.801 776 V N 5.469 125.047 119.914 -0.559 0.000 2.513 776 V HA 0.529 4.649 4.120 0.001 0.000 0.299 776 V C -0.337 175.199 176.094 -0.929 0.000 1.035 776 V CA -0.327 61.676 62.300 -0.494 0.000 0.889 776 V CB 1.099 32.746 31.823 -0.293 0.000 0.988 776 V HN 0.308 nan 8.190 nan 0.000 0.440 777 F N 3.047 122.981 119.950 -0.026 0.000 2.557 777 F HA 0.539 5.066 4.527 0.001 0.000 0.316 777 F C -0.390 175.414 175.800 0.007 0.000 1.141 777 F CA -0.708 57.315 58.000 0.038 0.000 0.922 777 F CB 1.532 40.552 39.000 0.033 0.000 1.194 777 F HN 0.280 nan 8.300 nan 0.000 0.443 778 F N 3.373 123.396 119.950 0.122 0.000 2.487 778 F HA 0.124 4.651 4.527 0.001 0.000 0.364 778 F C 0.956 176.811 175.800 0.092 0.000 1.126 778 F CA -0.557 57.489 58.000 0.077 0.000 1.135 778 F CB -0.114 38.911 39.000 0.043 0.000 1.127 778 F HN 0.466 nan 8.300 nan 0.000 0.559 779 D N 0.467 120.967 120.400 0.167 0.000 2.369 779 D HA -0.044 4.597 4.640 0.001 0.000 0.241 779 D C 1.385 177.757 176.300 0.119 0.000 1.271 779 D CA 0.090 54.163 54.000 0.121 0.000 0.942 779 D CB 0.089 40.929 40.800 0.066 0.000 1.129 779 D HN 0.499 nan 8.370 nan 0.000 0.476 780 T N -2.882 111.718 114.554 0.077 0.000 2.977 780 T HA -0.190 4.160 4.350 0.001 0.000 0.271 780 T C 1.234 175.971 174.700 0.062 0.000 1.105 780 T CA 1.120 63.258 62.100 0.064 0.000 1.116 780 T CB -0.448 68.443 68.868 0.038 0.000 0.878 780 T HN 0.427 nan 8.240 nan 0.000 0.509 781 N N 1.082 119.818 118.700 0.061 0.000 2.398 781 N HA 0.196 4.936 4.740 0.001 0.000 0.188 781 N C 1.372 176.927 175.510 0.076 0.000 1.122 781 N CA 0.653 53.734 53.050 0.053 0.000 0.866 781 N CB -0.410 38.097 38.487 0.034 0.000 0.970 781 N HN 0.615 nan 8.380 nan 0.000 0.462 782 G N -0.658 108.218 108.800 0.127 0.000 2.136 782 G HA2 -0.225 3.736 3.960 0.001 0.000 0.242 782 G HA3 -0.225 3.736 3.960 0.001 0.000 0.242 782 G C -0.429 174.585 174.900 0.190 0.000 0.989 782 G CA 0.443 45.671 45.100 0.213 0.000 0.682 782 G HN 0.213 nan 8.290 nan 0.000 0.522 783 V N 0.785 120.735 119.914 0.061 0.000 2.435 783 V HA 0.491 4.611 4.120 0.001 0.000 0.290 783 V C 1.052 177.015 176.094 -0.218 0.000 1.030 783 V CA -1.051 61.209 62.300 -0.067 0.000 0.881 783 V CB 1.495 33.299 31.823 -0.031 0.000 0.983 783 V HN 0.412 nan 8.190 nan 0.000 0.445 784 R N 2.466 122.704 120.500 -0.436 0.000 2.502 784 R HA 0.325 4.665 4.340 0.001 0.000 0.292 784 R C -0.180 175.997 176.300 -0.205 0.000 0.998 784 R CA 0.342 56.143 56.100 -0.498 0.000 1.056 784 R CB 0.112 30.107 30.300 -0.508 0.000 0.939 784 R HN 0.722 nan 8.270 nan 0.000 0.411 785 T N 2.476 116.967 114.554 -0.105 0.000 2.840 785 T HA 0.282 4.632 4.350 0.001 0.000 0.287 785 T C -0.623 174.127 174.700 0.084 0.000 0.991 785 T CA -0.700 61.408 62.100 0.014 0.000 0.964 785 T CB 1.627 70.538 68.868 0.072 0.000 0.954 785 T HN 0.179 nan 8.240 nan 0.000 0.438 786 V N 6.231 126.183 119.914 0.064 0.000 2.311 786 V HA 0.269 4.389 4.120 0.001 0.000 0.275 786 V C -1.513 174.644 176.094 0.106 0.000 1.022 786 V CA -1.393 60.963 62.300 0.095 0.000 0.830 786 V CB 0.983 32.841 31.823 0.057 0.000 1.012 786 V HN 0.740 nan 8.190 nan 0.000 0.452 787 P HA 0.178 nan 4.420 nan 0.000 0.235 787 P C 0.604 177.939 177.300 0.058 0.000 1.177 787 P CA 0.266 63.414 63.100 0.081 0.000 0.785 787 P CB 0.352 32.084 31.700 0.054 0.000 0.885 788 A N 2.060 124.921 122.820 0.068 0.000 2.425 788 A HA 0.404 4.725 4.320 0.001 0.000 0.249 788 A C -1.861 175.735 177.584 0.019 0.000 1.084 788 A CA -1.030 51.026 52.037 0.032 0.000 0.781 788 A CB -0.815 18.198 19.000 0.022 0.000 1.019 788 A HN 0.077 nan 8.150 nan 0.000 0.490 789 P HA 0.301 nan 4.420 nan 0.000 0.269 789 P C -0.677 176.610 177.300 -0.022 0.000 1.209 789 P CA 0.446 63.545 63.100 -0.001 0.000 0.776 789 P CB 0.598 32.290 31.700 -0.013 0.000 0.876 790 M N 1.135 120.728 119.600 -0.011 0.000 2.520 790 M HA 0.286 4.767 4.480 0.001 0.000 0.283 790 M C -0.625 175.640 176.300 -0.058 0.000 1.237 790 M CA -0.663 54.588 55.300 -0.082 0.000 0.885 790 M CB 3.060 35.599 32.600 -0.101 0.000 1.727 790 M HN 0.192 nan 8.290 nan 0.000 0.468 791 E N 1.986 122.083 120.200 -0.172 0.000 2.165 791 E HA 0.462 4.813 4.350 0.001 0.000 0.266 791 E C -1.659 174.815 176.600 -0.209 0.000 0.889 791 E CA -0.194 56.153 56.400 -0.089 0.000 0.756 791 E CB 1.736 31.393 29.700 -0.071 0.000 1.131 791 E HN 0.415 nan 8.360 nan 0.000 0.411 792 F N 1.249 121.182 119.950 -0.029 0.000 2.361 792 F HA 0.141 4.668 4.527 0.001 0.000 0.364 792 F C 1.652 177.442 175.800 -0.017 0.000 1.117 792 F CA -0.423 57.555 58.000 -0.036 0.000 1.071 792 F CB 1.477 40.453 39.000 -0.040 0.000 1.188 792 F HN 0.343 nan 8.300 nan 0.000 0.464 793 T N -0.843 113.776 114.554 0.108 0.000 3.037 793 T HA 0.248 4.598 4.350 0.001 0.000 0.252 793 T C 1.030 175.782 174.700 0.087 0.000 1.073 793 T CA 0.174 62.331 62.100 0.095 0.000 1.091 793 T CB -0.053 68.876 68.868 0.102 0.000 0.935 793 T HN 0.549 nan 8.240 nan 0.000 0.488 794 G N 1.168 110.008 108.800 0.067 0.000 2.507 794 G HA2 0.435 4.395 3.960 0.001 0.000 0.271 794 G HA3 0.435 4.395 3.960 0.001 0.000 0.271 794 G C -0.950 173.983 174.900 0.055 0.000 1.189 794 G CA -0.653 44.475 45.100 0.046 0.000 0.859 794 G HN 0.217 nan 8.290 nan 0.000 0.542 795 D N -0.412 120.016 120.400 0.046 0.000 2.531 795 D HA 0.139 4.779 4.640 0.001 0.000 0.239 795 D C -0.048 176.259 176.300 0.012 0.000 1.144 795 D CA 0.341 54.361 54.000 0.033 0.000 0.869 795 D CB 1.209 42.029 40.800 0.035 0.000 1.160 795 D HN -0.055 nan 8.370 nan 0.000 0.484 796 L N 1.937 123.155 121.223 -0.008 0.000 2.329 796 L HA 0.563 4.903 4.340 0.001 0.000 0.279 796 L C 0.479 177.320 176.870 -0.050 0.000 1.014 796 L CA -0.555 54.255 54.840 -0.051 0.000 0.814 796 L CB 1.925 43.924 42.059 -0.100 0.000 1.257 796 L HN 0.376 nan 8.230 nan 0.000 0.424 797 G N 5.173 113.938 108.800 -0.058 0.000 2.422 797 G HA2 0.636 4.597 3.960 0.001 0.000 0.317 797 G HA3 0.636 4.597 3.960 0.001 0.000 0.317 797 G C -1.070 173.786 174.900 -0.074 0.000 1.210 797 G CA -0.399 44.670 45.100 -0.052 0.000 0.930 797 G HN 0.488 nan 8.290 nan 0.000 0.468 798 L N 1.924 123.101 121.223 -0.076 0.000 2.303 798 L HA 0.785 5.126 4.340 0.001 0.000 0.266 798 L C 1.137 177.969 176.870 -0.063 0.000 1.011 798 L CA -1.108 53.681 54.840 -0.085 0.000 0.818 798 L CB 1.853 43.849 42.059 -0.106 0.000 1.326 798 L HN 0.607 nan 8.230 nan 0.000 0.435 799 G N -1.686 107.083 108.800 -0.051 0.000 3.137 799 G HA2 0.075 4.036 3.960 0.001 0.000 0.163 799 G HA3 0.075 4.036 3.960 0.001 0.000 0.163 799 G C -0.302 174.586 174.900 -0.019 0.000 1.602 799 G CA -0.297 44.791 45.100 -0.020 0.000 1.067 799 G HN 0.647 nan 8.290 nan 0.000 0.568 800 H N -0.107 118.936 119.070 -0.046 0.000 3.004 800 H HA 0.247 4.803 4.556 0.001 0.000 0.316 800 H C -0.887 174.413 175.328 -0.046 0.000 1.014 800 H CA 0.382 56.404 56.048 -0.044 0.000 1.454 800 H CB 0.345 30.084 29.762 -0.037 0.000 1.472 800 H HN -0.040 nan 8.280 nan 0.000 0.571 801 V N 5.684 125.262 119.914 -0.561 0.000 2.487 801 V HA 0.180 4.300 4.120 0.001 0.000 0.298 801 V C -0.029 175.881 176.094 -0.307 0.000 1.028 801 V CA -0.734 61.392 62.300 -0.290 0.000 0.860 801 V CB 2.102 33.808 31.823 -0.194 0.000 0.991 801 V HN 0.831 nan 8.190 nan 0.000 0.427 802 T N 5.890 120.390 114.554 -0.090 0.000 2.779 802 T HA 0.562 4.913 4.350 0.001 0.000 0.280 802 T C -0.348 174.337 174.700 -0.025 0.000 0.987 802 T CA -0.361 61.723 62.100 -0.027 0.000 0.966 802 T CB 1.107 70.014 68.868 0.064 0.000 0.933 802 T HN 0.306 nan 8.240 nan 0.000 0.442 803 I N 4.073 124.628 120.570 -0.025 0.000 2.297 803 I HA 0.318 4.489 4.170 0.001 0.000 0.291 803 I C 0.891 177.006 176.117 -0.003 0.000 1.033 803 I CA -0.463 60.827 61.300 -0.016 0.000 1.253 803 I CB 0.320 38.309 38.000 -0.017 0.000 1.396 803 I HN 0.446 nan 8.210 nan 0.000 0.476 804 R N 3.576 124.077 120.500 0.001 0.000 2.543 804 R HA 0.651 4.991 4.340 0.001 0.000 0.268 804 R C 0.130 176.433 176.300 0.005 0.000 1.067 804 R CA -0.764 55.339 56.100 0.005 0.000 1.142 804 R CB 0.968 31.272 30.300 0.007 0.000 1.110 804 R HN 0.683 nan 8.270 nan 0.000 0.549 805 A N 0.746 123.569 122.820 0.005 0.000 2.511 805 A HA 0.143 4.463 4.320 0.001 0.000 0.242 805 A C 0.810 178.397 177.584 0.004 0.000 1.069 805 A CA 0.451 52.491 52.037 0.005 0.000 0.763 805 A CB 0.113 19.115 19.000 0.004 0.000 1.001 805 A HN 0.879 nan 8.150 nan 0.000 0.498 806 S N 0.238 115.941 115.700 0.004 0.000 2.475 806 S HA 0.176 4.646 4.470 0.001 0.000 0.270 806 S C 0.224 174.827 174.600 0.005 0.000 1.026 806 S CA 0.563 58.765 58.200 0.005 0.000 1.437 806 S CB 0.059 63.263 63.200 0.006 0.000 1.215 806 S HN 0.744 nan 8.310 nan 0.000 0.648 807 T N 1.878 116.435 114.554 0.005 0.000 2.876 807 T HA 0.706 5.056 4.350 0.001 0.000 0.289 807 T C -0.468 174.234 174.700 0.004 0.000 1.014 807 T CA 0.167 62.270 62.100 0.005 0.000 0.986 807 T CB 1.475 70.347 68.868 0.006 0.000 1.021 807 T HN 0.686 nan 8.240 nan 0.000 0.458 808 S N 2.404 118.106 115.700 0.004 0.000 3.727 808 S HA -0.201 4.269 4.470 0.001 0.000 0.444 808 S C 0.645 175.247 174.600 0.003 0.000 0.867 808 S CA 0.676 58.878 58.200 0.004 0.000 1.324 808 S CB -1.744 61.459 63.200 0.004 0.000 0.890 808 S HN 1.350 nan 8.310 nan 0.000 0.599 809 S N 1.407 117.108 115.700 0.003 0.000 3.581 809 S HA -0.224 4.247 4.470 0.001 0.000 0.354 809 S C 0.474 175.075 174.600 0.002 0.000 1.059 809 S CA 1.030 59.231 58.200 0.002 0.000 1.060 809 S CB -1.499 61.702 63.200 0.001 0.000 0.908 809 S HN 1.222 nan 8.310 nan 0.000 0.475 810 N N -1.276 117.425 118.700 0.002 0.000 2.696 810 N HA -0.229 4.511 4.740 0.001 0.000 0.249 810 N C 0.521 176.032 175.510 0.002 0.000 1.090 810 N CA 1.123 54.175 53.050 0.002 0.000 0.716 810 N CB -1.452 37.036 38.487 0.002 0.000 1.020 810 N HN 0.791 nan 8.380 nan 0.000 0.548 811 I N -0.632 119.939 120.570 0.002 0.000 2.546 811 I HA -0.135 4.035 4.170 0.001 0.000 0.255 811 I C 1.084 177.203 176.117 0.003 0.000 1.163 811 I CA 0.819 62.120 61.300 0.002 0.000 1.457 811 I CB 0.246 38.247 38.000 0.002 0.000 1.092 811 I HN 0.269 nan 8.210 nan 0.000 0.434 812 R N 0.050 120.552 120.500 0.003 0.000 2.744 812 R HA 0.466 4.806 4.340 0.001 0.000 0.279 812 R C -0.599 175.704 176.300 0.005 0.000 0.977 812 R CA -0.635 55.468 56.100 0.004 0.000 0.906 812 R CB 1.309 31.611 30.300 0.004 0.000 1.197 812 R HN 0.000 nan 8.270 nan 0.000 0.463 813 S N 0.740 116.443 115.700 0.005 0.000 2.584 813 S HA 0.304 4.774 4.470 0.001 0.000 0.273 813 S C -0.353 174.250 174.600 0.005 0.000 1.311 813 S CA -0.735 57.467 58.200 0.004 0.000 1.034 813 S CB 1.272 64.474 63.200 0.004 0.000 0.939 813 S HN 0.772 nan 8.310 nan 0.000 0.513 814 E N 0.844 121.047 120.200 0.005 0.000 2.290 814 E HA 0.540 4.890 4.350 0.001 0.000 0.274 814 E C -2.032 174.572 176.600 0.007 0.000 0.889 814 E CA -0.779 55.624 56.400 0.007 0.000 0.760 814 E CB 1.798 31.502 29.700 0.008 0.000 1.206 814 E HN 0.531 nan 8.360 nan 0.000 0.419 815 V N 4.929 124.848 119.914 0.008 0.000 2.483 815 V HA 0.382 4.503 4.120 0.001 0.000 0.297 815 V C -0.910 175.192 176.094 0.013 0.000 1.027 815 V CA -0.830 61.475 62.300 0.009 0.000 0.855 815 V CB 1.338 33.166 31.823 0.007 0.000 0.995 815 V HN 0.611 nan 8.190 nan 0.000 0.424 816 L N 5.811 127.043 121.223 0.015 0.000 2.295 816 L HA 0.621 4.962 4.340 0.001 0.000 0.285 816 L C -0.002 176.881 176.870 0.021 0.000 1.035 816 L CA -0.166 54.685 54.840 0.019 0.000 0.806 816 L CB 1.539 43.609 42.059 0.019 0.000 1.214 816 L HN 0.559 nan 8.230 nan 0.000 0.426 817 M N 3.034 122.649 119.600 0.026 0.000 2.268 817 M HA 0.420 4.901 4.480 0.001 0.000 0.344 817 M C 0.088 176.403 176.300 0.026 0.000 1.106 817 M CA -0.436 54.880 55.300 0.028 0.000 1.010 817 M CB 1.940 34.562 32.600 0.038 0.000 1.649 817 M HN 0.558 nan 8.290 nan 0.000 0.443 818 E N 1.012 121.221 120.200 0.016 0.000 2.961 818 E HA 0.775 5.125 4.350 0.001 0.000 0.254 818 E C 0.331 176.923 176.600 -0.014 0.000 1.192 818 E CA -0.489 55.917 56.400 0.009 0.000 1.069 818 E CB 0.960 30.668 29.700 0.012 0.000 1.338 818 E HN 0.861 nan 8.360 nan 0.000 0.596 819 G N 0.668 109.457 108.800 -0.019 0.000 2.741 819 G HA2 -0.324 3.637 3.960 0.001 0.000 0.222 819 G HA3 -0.324 3.637 3.960 0.001 0.000 0.222 819 G C 0.508 175.395 174.900 -0.021 0.000 1.364 819 G CA 0.282 45.351 45.100 -0.051 0.000 0.866 819 G HN 0.655 nan 8.290 nan 0.000 0.555 820 E N -1.070 119.115 120.200 -0.025 0.000 2.077 820 E HA -0.009 4.341 4.350 0.001 0.000 0.193 820 E C 0.895 177.609 176.600 0.189 0.000 0.989 820 E CA 1.896 58.349 56.400 0.088 0.000 0.800 820 E CB -0.037 29.756 29.700 0.154 0.000 0.746 820 E HN 0.730 nan 8.360 nan 0.000 0.452 821 Y N -3.008 117.325 120.300 0.054 0.000 2.625 821 Y HA 0.670 5.220 4.550 0.001 0.000 0.338 821 Y C -0.184 175.768 175.900 0.087 0.000 1.123 821 Y CA -1.090 57.051 58.100 0.068 0.000 1.046 821 Y CB 0.851 39.354 38.460 0.073 0.000 1.299 821 Y HN -0.149 nan 8.280 nan 0.000 0.464 822 G N 0.796 109.737 108.800 0.235 0.000 2.410 822 G HA2 0.548 4.509 3.960 0.001 0.000 0.330 822 G HA3 0.548 4.509 3.960 0.001 0.000 0.330 822 G C -2.313 172.827 174.900 0.399 0.000 1.142 822 G CA -0.810 44.399 45.100 0.182 0.000 0.902 822 G HN 0.769 nan 8.290 nan 0.000 0.491 823 F N 1.467 121.504 119.950 0.146 0.000 2.518 823 F HA 0.672 5.199 4.527 0.001 0.000 0.323 823 F C -0.673 175.195 175.800 0.112 0.000 1.129 823 F CA -1.120 56.983 58.000 0.171 0.000 0.920 823 F CB 1.572 40.695 39.000 0.205 0.000 1.160 823 F HN 0.215 nan 8.300 nan 0.000 0.440 824 I N 6.131 126.420 120.570 -0.467 0.000 2.411 824 I HA 0.586 4.757 4.170 0.001 0.000 0.284 824 I C 0.080 175.774 176.117 -0.704 0.000 1.012 824 I CA -0.436 60.611 61.300 -0.421 0.000 1.119 824 I CB 1.398 39.352 38.000 -0.076 0.000 1.261 824 I HN 0.736 nan 8.210 nan 0.000 0.448 825 G N 4.397 112.766 108.800 -0.719 0.000 2.949 825 G HA2 0.693 4.654 3.960 0.001 0.000 0.285 825 G HA3 0.693 4.654 3.960 0.001 0.000 0.285 825 G C -1.657 173.125 174.900 -0.196 0.000 1.395 825 G CA -0.566 44.209 45.100 -0.541 0.000 0.901 825 G HN 0.380 nan 8.290 nan 0.000 0.519 826 K N 0.174 120.528 120.400 -0.076 0.000 2.507 826 K HA 0.552 4.872 4.320 0.001 0.000 0.252 826 K C 0.324 176.922 176.600 -0.004 0.000 0.943 826 K CA -0.411 55.840 56.287 -0.060 0.000 0.808 826 K CB 1.456 33.906 32.500 -0.083 0.000 1.142 826 K HN 0.776 nan 8.250 nan 0.000 0.426 827 S N 3.994 119.690 115.700 -0.006 0.000 2.589 827 S HA 0.278 4.748 4.470 0.001 0.000 0.265 827 S C 0.451 175.055 174.600 0.007 0.000 1.342 827 S CA -0.573 57.636 58.200 0.015 0.000 1.005 827 S CB 0.074 63.279 63.200 0.008 0.000 0.909 827 S HN 0.554 nan 8.310 nan 0.000 0.555 828 I N 2.700 123.280 120.570 0.016 0.000 2.494 828 I HA 0.202 4.372 4.170 0.001 0.000 0.289 828 I C -1.991 174.126 176.117 0.000 0.000 1.106 828 I CA -1.674 59.632 61.300 0.010 0.000 1.369 828 I CB -0.172 37.838 38.000 0.016 0.000 1.410 828 I HN 0.502 nan 8.210 nan 0.000 0.523 829 P HA -0.025 nan 4.420 nan 0.000 0.263 829 P C 0.674 177.970 177.300 -0.006 0.000 1.175 829 P CA 0.307 63.400 63.100 -0.012 0.000 0.761 829 P CB 0.622 32.312 31.700 -0.017 0.000 0.794 830 T N 0.564 115.114 114.554 -0.007 0.000 2.732 830 T HA -0.089 4.261 4.350 0.001 0.000 0.261 830 T C 1.006 175.704 174.700 -0.004 0.000 1.040 830 T CA 1.448 63.546 62.100 -0.004 0.000 1.145 830 T CB -0.341 68.524 68.868 -0.005 0.000 0.866 830 T HN 0.457 nan 8.240 nan 0.000 0.427 831 D N 0.505 120.902 120.400 -0.006 0.000 2.262 831 D HA 0.048 4.689 4.640 0.001 0.000 0.212 831 D C 1.061 177.358 176.300 -0.004 0.000 0.964 831 D CA 0.611 54.608 54.000 -0.005 0.000 0.875 831 D CB -0.051 40.745 40.800 -0.006 0.000 0.996 831 D HN 0.359 nan 8.370 nan 0.000 0.497 832 N N 0.934 119.630 118.700 -0.006 0.000 2.844 832 N HA 0.102 4.842 4.740 0.001 0.000 0.268 832 N C -2.030 173.478 175.510 -0.004 0.000 1.574 832 N CA -1.472 51.575 53.050 -0.004 0.000 0.838 832 N CB 1.523 40.005 38.487 -0.007 0.000 1.177 832 N HN -0.218 nan 8.380 nan 0.000 0.495 833 P HA -0.113 nan 4.420 nan 0.000 0.219 833 P C 1.072 178.378 177.300 0.010 0.000 1.146 833 P CA 0.794 63.896 63.100 0.004 0.000 0.808 833 P CB 0.196 31.901 31.700 0.008 0.000 0.779 834 A N -0.001 122.826 122.820 0.013 0.000 2.216 834 A HA 0.062 4.382 4.320 0.001 0.000 0.214 834 A C 2.279 179.881 177.584 0.030 0.000 1.160 834 A CA 1.494 53.545 52.037 0.024 0.000 0.725 834 A CB -1.443 17.570 19.000 0.021 0.000 0.784 834 A HN 0.337 nan 8.150 nan 0.000 0.472 835 G N -1.552 107.253 108.800 0.009 0.000 2.986 835 G HA2 0.136 4.097 3.960 0.001 0.000 0.213 835 G HA3 0.136 4.097 3.960 0.001 0.000 0.213 835 G C 0.616 175.489 174.900 -0.045 0.000 1.156 835 G CA 0.047 45.142 45.100 -0.009 0.000 0.763 835 G HN 0.565 nan 8.290 nan 0.000 0.547 836 Q N 1.386 121.169 119.800 -0.029 0.000 2.320 836 Q HA 0.122 4.463 4.340 0.001 0.000 0.311 836 Q C 0.292 176.227 176.000 -0.109 0.000 1.083 836 Q CA 0.521 56.292 55.803 -0.052 0.000 1.001 836 Q CB 0.131 28.861 28.738 -0.014 0.000 1.074 836 Q HN 0.612 nan 8.270 nan 0.000 0.379 837 R N 2.871 123.266 120.500 -0.176 0.000 2.828 837 R HA 0.420 4.761 4.340 0.001 0.000 0.280 837 R C -1.713 174.419 176.300 -0.280 0.000 1.020 837 R CA -0.862 55.064 56.100 -0.289 0.000 0.855 837 R CB 0.617 30.574 30.300 -0.571 0.000 1.278 837 R HN 0.481 nan 8.270 nan 0.000 0.495 838 I N 2.225 122.599 120.570 -0.327 0.000 2.465 838 I HA 0.431 4.602 4.170 0.001 0.000 0.291 838 I C -0.192 175.636 176.117 -0.481 0.000 1.014 838 I CA -1.204 59.833 61.300 -0.438 0.000 1.093 838 I CB 2.106 39.763 38.000 -0.572 0.000 1.267 838 I HN 0.427 nan 8.210 nan 0.000 0.431 839 I N 5.925 126.228 120.570 -0.444 0.000 2.312 839 I HA 0.298 4.468 4.170 0.001 0.000 0.290 839 I C -0.856 175.046 176.117 -0.357 0.000 1.008 839 I CA -0.411 60.706 61.300 -0.306 0.000 1.226 839 I CB 0.753 38.641 38.000 -0.187 0.000 1.371 839 I HN 0.299 nan 8.210 nan 0.000 0.468 840 F N 5.627 125.541 119.950 -0.060 0.000 2.410 840 F HA 0.424 4.951 4.527 0.001 0.000 0.349 840 F C 0.322 176.108 175.800 -0.023 0.000 1.117 840 F CA -0.466 57.510 58.000 -0.040 0.000 1.104 840 F CB 1.320 40.301 39.000 -0.032 0.000 1.122 840 F HN 0.402 nan 8.300 nan 0.000 0.483 841 C N 2.283 121.669 119.300 0.142 0.000 2.609 841 C HA 0.678 5.139 4.460 0.001 0.000 0.313 841 C C 1.181 176.210 174.990 0.064 0.000 1.175 841 C CA -0.384 58.681 59.018 0.079 0.000 1.434 841 C CB 0.850 28.611 27.740 0.035 0.000 2.005 841 C HN 1.008 nan 8.230 nan 0.000 0.471 842 G N 2.697 111.526 108.800 0.047 0.000 2.985 842 G HA2 0.450 4.411 3.960 0.001 0.000 0.209 842 G HA3 0.450 4.411 3.960 0.001 0.000 0.209 842 G C 0.583 175.496 174.900 0.020 0.000 1.165 842 G CA 0.761 45.879 45.100 0.030 0.000 0.776 842 G HN 1.171 nan 8.290 nan 0.000 0.541 843 G N -0.200 108.613 108.800 0.021 0.000 3.108 843 G HA2 0.483 4.443 3.960 0.001 0.000 0.268 843 G HA3 0.483 4.443 3.960 0.001 0.000 0.268 843 G C 0.486 175.395 174.900 0.015 0.000 1.361 843 G CA 0.064 45.173 45.100 0.014 0.000 1.047 843 G HN 0.212 nan 8.290 nan 0.000 0.540 844 E N -1.662 118.545 120.200 0.012 0.000 2.447 844 E HA 0.344 4.694 4.350 0.001 0.000 0.195 844 E C 0.983 177.590 176.600 0.012 0.000 1.028 844 E CA 0.284 56.692 56.400 0.013 0.000 0.876 844 E CB 0.482 30.189 29.700 0.012 0.000 0.885 844 E HN 0.551 nan 8.360 nan 0.000 0.500 845 G N 0.145 108.949 108.800 0.007 0.000 2.730 845 G HA2 0.298 4.259 3.960 0.001 0.000 0.289 845 G HA3 0.298 4.259 3.960 0.001 0.000 0.289 845 G C 0.555 175.453 174.900 -0.003 0.000 1.341 845 G CA -0.079 45.023 45.100 0.003 0.000 0.932 845 G HN 0.039 nan 8.290 nan 0.000 0.481 846 T N -2.364 112.184 114.554 -0.010 0.000 2.962 846 T HA 0.024 4.374 4.350 0.001 0.000 0.270 846 T C 1.534 176.229 174.700 -0.008 0.000 1.088 846 T CA 1.127 63.216 62.100 -0.018 0.000 1.127 846 T CB -0.118 68.733 68.868 -0.028 0.000 0.883 846 T HN 0.570 nan 8.240 nan 0.000 0.493 847 S N 1.945 117.644 115.700 -0.002 0.000 2.516 847 S HA 0.220 4.691 4.470 0.001 0.000 0.282 847 S C 1.549 176.155 174.600 0.010 0.000 1.286 847 S CA -0.077 58.126 58.200 0.005 0.000 1.066 847 S CB 0.477 63.680 63.200 0.005 0.000 0.884 847 S HN 0.594 nan 8.310 nan 0.000 0.491 848 S N 3.664 119.374 115.700 0.017 0.000 2.547 848 S HA -0.082 4.389 4.470 0.001 0.000 0.235 848 S C 1.651 176.262 174.600 0.018 0.000 0.980 848 S CA 1.177 59.391 58.200 0.023 0.000 0.941 848 S CB -0.665 62.557 63.200 0.037 0.000 0.763 848 S HN 0.754 nan 8.310 nan 0.000 0.532 849 T N 2.706 117.269 114.554 0.014 0.000 2.803 849 T HA -0.097 4.253 4.350 0.001 0.000 0.269 849 T C 2.019 176.723 174.700 0.008 0.000 1.052 849 T CA 1.934 64.040 62.100 0.010 0.000 1.136 849 T CB -0.752 68.121 68.868 0.008 0.000 0.864 849 T HN 0.906 nan 8.240 nan 0.000 0.467 850 T N -1.709 112.850 114.554 0.008 0.000 3.081 850 T HA 0.480 4.830 4.350 0.001 0.000 0.255 850 T C 0.807 175.511 174.700 0.007 0.000 1.113 850 T CA 0.431 62.535 62.100 0.007 0.000 1.082 850 T CB 0.310 69.182 68.868 0.007 0.000 0.939 850 T HN 0.470 nan 8.240 nan 0.000 0.506 851 G N 0.072 108.877 108.800 0.010 0.000 2.325 851 G HA2 0.512 4.473 3.960 0.001 0.000 0.297 851 G HA3 0.512 4.473 3.960 0.001 0.000 0.297 851 G C -0.974 173.934 174.900 0.015 0.000 1.448 851 G CA -0.592 44.514 45.100 0.009 0.000 0.838 851 G HN 0.517 nan 8.290 nan 0.000 0.579 852 A N -0.164 122.662 122.820 0.010 0.000 2.531 852 A HA 0.561 4.881 4.320 0.001 0.000 0.236 852 A C 0.430 178.045 177.584 0.052 0.000 1.062 852 A CA 0.607 52.655 52.037 0.017 0.000 0.760 852 A CB 0.065 19.063 19.000 -0.004 0.000 0.995 852 A HN 0.698 nan 8.150 nan 0.000 0.501 853 Q N 0.908 120.756 119.800 0.080 0.000 2.397 853 Q HA 0.650 4.990 4.340 0.001 0.000 0.275 853 Q C -1.324 174.758 176.000 0.136 0.000 1.090 853 Q CA -0.564 55.300 55.803 0.101 0.000 0.809 853 Q CB 2.444 31.227 28.738 0.075 0.000 1.362 853 Q HN 0.689 nan 8.270 nan 0.000 0.431 854 I N 1.588 122.244 120.570 0.144 0.000 2.418 854 I HA 0.381 4.552 4.170 0.001 0.000 0.287 854 I C -0.695 175.490 176.117 0.114 0.000 1.008 854 I CA -0.606 60.752 61.300 0.097 0.000 1.104 854 I CB 2.121 40.181 38.000 0.100 0.000 1.264 854 I HN 0.510 nan 8.210 nan 0.000 0.438 855 T N 7.188 121.762 114.554 0.034 0.000 2.786 855 T HA 0.538 4.888 4.350 0.001 0.000 0.283 855 T C -0.206 174.513 174.700 0.032 0.000 0.992 855 T CA -0.477 61.615 62.100 -0.013 0.000 0.954 855 T CB 1.227 70.062 68.868 -0.054 0.000 0.934 855 T HN 0.286 nan 8.240 nan 0.000 0.440 856 L N 3.895 125.109 121.223 -0.015 0.000 2.265 856 L HA 0.483 4.824 4.340 0.001 0.000 0.289 856 L C -0.709 176.138 176.870 -0.038 0.000 1.033 856 L CA -0.988 53.891 54.840 0.065 0.000 0.814 856 L CB 0.431 42.557 42.059 0.112 0.000 1.203 856 L HN 0.632 nan 8.230 nan 0.000 0.423 857 Y N 1.289 121.577 120.300 -0.019 0.000 2.313 857 Y HA 0.429 4.979 4.550 0.001 0.000 0.332 857 Y C 1.192 177.091 175.900 -0.002 0.000 1.071 857 Y CA -0.378 57.712 58.100 -0.017 0.000 1.169 857 Y CB 1.633 40.083 38.460 -0.015 0.000 1.192 857 Y HN 0.654 nan 8.280 nan 0.000 0.487 858 G N 0.784 109.638 108.800 0.090 0.000 2.606 858 G HA2 0.304 4.264 3.960 0.001 0.000 0.252 858 G HA3 0.304 4.264 3.960 0.001 0.000 0.252 858 G C 0.828 175.780 174.900 0.087 0.000 1.206 858 G CA -0.068 45.075 45.100 0.072 0.000 0.861 858 G HN 0.885 nan 8.290 nan 0.000 0.561 859 A N 0.612 123.472 122.820 0.067 0.000 2.019 859 A HA -0.108 4.212 4.320 0.001 0.000 0.219 859 A C 2.058 179.670 177.584 0.047 0.000 1.164 859 A CA 1.781 53.850 52.037 0.054 0.000 0.644 859 A CB -0.384 18.642 19.000 0.042 0.000 0.805 859 A HN 0.675 nan 8.150 nan 0.000 0.449 860 N N 0.110 118.836 118.700 0.044 0.000 2.467 860 N HA -0.024 4.716 4.740 0.001 0.000 0.184 860 N C 0.581 176.117 175.510 0.043 0.000 1.106 860 N CA -0.018 53.054 53.050 0.036 0.000 0.892 860 N CB -0.064 38.440 38.487 0.027 0.000 0.969 860 N HN 0.463 nan 8.380 nan 0.000 0.454 861 N N 0.689 119.428 118.700 0.066 0.000 2.492 861 N HA -0.017 4.724 4.740 0.001 0.000 0.260 861 N C 0.703 176.260 175.510 0.078 0.000 1.215 861 N CA 0.455 53.560 53.050 0.093 0.000 0.923 861 N CB 0.815 39.412 38.487 0.183 0.000 1.092 861 N HN -0.028 nan 8.380 nan 0.000 0.448 862 T N 1.301 115.896 114.554 0.069 0.000 2.649 862 T HA -0.183 4.167 4.350 0.001 0.000 0.268 862 T C -0.079 174.639 174.700 0.029 0.000 1.036 862 T CA 1.351 63.477 62.100 0.044 0.000 1.157 862 T CB -0.183 68.710 68.868 0.041 0.000 0.861 862 T HN 0.553 nan 8.240 nan 0.000 0.445 863 D N 2.248 122.672 120.400 0.039 0.000 2.522 863 D HA 0.227 4.867 4.640 0.001 0.000 0.218 863 D C -0.338 175.948 176.300 -0.023 0.000 1.149 863 D CA 0.068 54.036 54.000 -0.054 0.000 0.981 863 D CB 0.526 41.190 40.800 -0.227 0.000 1.041 863 D HN 0.136 nan 8.370 nan 0.000 0.518 864 S N 1.523 117.225 115.700 0.003 0.000 2.525 864 S HA -0.025 4.445 4.470 0.001 0.000 0.285 864 S C 0.948 175.565 174.600 0.028 0.000 1.283 864 S CA -0.156 58.064 58.200 0.034 0.000 1.072 864 S CB 0.131 63.345 63.200 0.023 0.000 0.867 864 S HN 0.462 nan 8.310 nan 0.000 0.492 865 R N 0.776 121.321 120.500 0.074 0.000 3.610 865 R HA -0.212 4.128 4.340 0.001 0.000 0.274 865 R C 0.300 176.626 176.300 0.044 0.000 1.123 865 R CA 0.929 57.076 56.100 0.078 0.000 0.747 865 R CB -1.636 28.694 30.300 0.050 0.000 1.149 865 R HN 0.744 nan 8.270 nan 0.000 0.471 866 R N 1.448 121.931 120.500 -0.028 0.000 2.643 866 R HA 0.304 4.644 4.340 0.001 0.000 0.270 866 R C -0.200 176.088 176.300 -0.020 0.000 1.061 866 R CA 0.084 56.067 56.100 -0.195 0.000 1.107 866 R CB 0.540 30.452 30.300 -0.647 0.000 0.999 866 R HN 0.208 nan 8.270 nan 0.000 0.460 867 I N 3.826 124.375 120.570 -0.034 0.000 2.433 867 I HA 0.264 4.435 4.170 0.001 0.000 0.292 867 I C -0.786 175.274 176.117 -0.095 0.000 1.001 867 I CA -1.125 60.147 61.300 -0.046 0.000 1.119 867 I CB 2.217 40.107 38.000 -0.183 0.000 1.289 867 I HN 0.314 nan 8.210 nan 0.000 0.438 868 V N 6.817 126.709 119.914 -0.036 0.000 2.357 868 V HA 0.332 4.453 4.120 0.001 0.000 0.284 868 V C -0.914 175.163 176.094 -0.028 0.000 1.018 868 V CA -0.566 61.756 62.300 0.037 0.000 0.841 868 V CB 0.952 32.868 31.823 0.154 0.000 0.991 868 V HN 0.425 nan 8.190 nan 0.000 0.437 869 Y N 3.489 123.875 120.300 0.144 0.000 2.353 869 Y HA 0.420 4.971 4.550 0.001 0.000 0.340 869 Y C 0.538 176.627 175.900 0.315 0.000 0.972 869 Y CA -0.319 57.904 58.100 0.206 0.000 1.157 869 Y CB 0.877 39.420 38.460 0.137 0.000 1.157 869 Y HN 0.627 nan 8.280 nan 0.000 0.495 870 N N 2.619 121.558 118.700 0.398 0.000 2.573 870 N HA 0.608 5.348 4.740 0.001 0.000 0.262 870 N C -0.722 174.857 175.510 0.115 0.000 1.029 870 N CA -0.280 52.926 53.050 0.260 0.000 0.882 870 N CB 0.690 39.273 38.487 0.160 0.000 1.204 870 N HN 0.895 nan 8.380 nan 0.000 0.519 871 G N 1.055 109.819 108.800 -0.059 0.000 2.725 871 G HA2 0.175 4.135 3.960 0.001 0.000 0.288 871 G HA3 0.175 4.135 3.960 0.001 0.000 0.288 871 G C -0.399 174.377 174.900 -0.206 0.000 1.399 871 G CA -0.371 44.594 45.100 -0.224 0.000 0.859 871 G HN 0.424 nan 8.290 nan 0.000 0.479 872 D N -0.510 119.800 120.400 -0.150 0.000 2.348 872 D HA 0.151 4.792 4.640 0.001 0.000 0.211 872 D C 0.359 176.593 176.300 -0.110 0.000 0.998 872 D CA 0.877 54.823 54.000 -0.090 0.000 0.873 872 D CB 0.791 41.560 40.800 -0.052 0.000 0.925 872 D HN 0.445 nan 8.370 nan 0.000 0.524 873 E N -0.298 119.783 120.200 -0.199 0.000 2.308 873 E HA 0.230 4.580 4.350 0.001 0.000 0.275 873 E C -0.940 175.461 176.600 -0.332 0.000 0.890 873 E CA -0.601 55.696 56.400 -0.171 0.000 0.754 873 E CB 1.960 31.596 29.700 -0.106 0.000 1.207 873 E HN 0.065 nan 8.360 nan 0.000 0.426 874 H N 3.547 122.595 119.070 -0.037 0.000 2.762 874 H HA 0.340 4.897 4.556 0.001 0.000 0.310 874 H C -0.760 174.460 175.328 -0.180 0.000 1.004 874 H CA -0.423 55.545 56.048 -0.133 0.000 1.267 874 H CB 0.699 30.419 29.762 -0.071 0.000 1.437 874 H HN 0.279 nan 8.280 nan 0.000 0.498 875 L N 4.311 125.421 121.223 -0.189 0.000 2.319 875 L HA 0.341 4.681 4.340 0.001 0.000 0.281 875 L C -0.556 176.144 176.870 -0.283 0.000 1.005 875 L CA -0.654 54.100 54.840 -0.142 0.000 0.828 875 L CB 0.938 42.948 42.059 -0.081 0.000 1.227 875 L HN 0.358 nan 8.230 nan 0.000 0.415 876 F N 2.318 122.278 119.950 0.016 0.000 2.371 876 F HA 0.342 4.870 4.527 0.001 0.000 0.363 876 F C 0.589 176.387 175.800 -0.002 0.000 1.122 876 F CA -0.183 57.818 58.000 0.001 0.000 1.129 876 F CB 1.197 40.187 39.000 -0.016 0.000 1.173 876 F HN 0.494 nan 8.300 nan 0.000 0.489 877 Q N 1.745 121.626 119.800 0.135 0.000 2.235 877 Q HA 0.401 4.741 4.340 0.001 0.000 0.256 877 Q C 0.666 176.715 176.000 0.082 0.000 0.951 877 Q CA -0.114 55.736 55.803 0.078 0.000 0.890 877 Q CB 1.513 30.269 28.738 0.030 0.000 1.279 877 Q HN 0.814 nan 8.270 nan 0.000 0.444 878 S N -0.617 115.116 115.700 0.054 0.000 2.450 878 S HA -0.262 4.208 4.470 0.001 0.000 0.248 878 S C -0.403 174.218 174.600 0.036 0.000 1.240 878 S CA 1.238 59.461 58.200 0.039 0.000 1.532 878 S CB -1.351 61.870 63.200 0.036 0.000 1.941 878 S HN 1.014 nan 8.310 nan 0.000 0.623 879 A N 0.387 123.236 122.820 0.049 0.000 2.609 879 A HA 0.611 4.931 4.320 0.001 0.000 0.291 879 A C -1.445 176.143 177.584 0.006 0.000 1.096 879 A CA -0.682 51.369 52.037 0.022 0.000 0.684 879 A CB 0.828 19.838 19.000 0.017 0.000 1.282 879 A HN 0.127 nan 8.150 nan 0.000 0.412 880 D N 0.571 120.956 120.400 -0.025 0.000 2.423 880 D HA 0.285 4.925 4.640 0.001 0.000 0.238 880 D C -0.062 176.170 176.300 -0.114 0.000 1.142 880 D CA 0.350 54.315 54.000 -0.058 0.000 0.884 880 D CB 0.892 41.657 40.800 -0.057 0.000 1.199 880 D HN 0.182 nan 8.370 nan 0.000 0.438 881 V N 3.180 122.984 119.914 -0.184 0.000 2.389 881 V HA 0.153 4.273 4.120 0.001 0.000 0.264 881 V C 0.633 176.603 176.094 -0.207 0.000 1.049 881 V CA -0.108 62.003 62.300 -0.315 0.000 0.932 881 V CB 0.310 31.815 31.823 -0.529 0.000 1.011 881 V HN 0.300 nan 8.190 nan 0.000 0.475 882 K N 5.361 125.660 120.400 -0.169 0.000 2.395 882 K HA 0.658 4.979 4.320 0.001 0.000 0.247 882 K C -2.591 173.969 176.600 -0.067 0.000 0.973 882 K CA -1.636 54.590 56.287 -0.102 0.000 0.828 882 K CB 2.319 34.769 32.500 -0.084 0.000 1.272 882 K HN 0.458 nan 8.250 nan 0.000 0.439 883 P HA 0.140 nan 4.420 nan 0.000 0.282 883 P C 0.055 177.394 177.300 0.064 0.000 1.249 883 P CA -0.403 62.710 63.100 0.022 0.000 0.806 883 P CB 0.693 32.405 31.700 0.019 0.000 0.984 884 Y N 2.589 122.878 120.300 -0.019 0.000 2.224 884 Y HA -0.156 4.394 4.550 0.001 0.000 0.289 884 Y C 0.570 176.464 175.900 -0.010 0.000 1.146 884 Y CA 1.230 59.323 58.100 -0.011 0.000 1.182 884 Y CB 0.249 38.709 38.460 -0.001 0.000 0.983 884 Y HN 0.448 nan 8.280 nan 0.000 0.524 885 N N -0.425 118.410 118.700 0.225 0.000 2.525 885 N HA 0.162 4.903 4.740 0.001 0.000 0.288 885 N C -1.778 173.766 175.510 0.057 0.000 1.242 885 N CA -0.744 52.389 53.050 0.138 0.000 0.905 885 N CB 0.907 39.483 38.487 0.149 0.000 1.258 885 N HN -0.049 nan 8.380 nan 0.000 0.551 886 D N 0.077 120.498 120.400 0.036 0.000 2.280 886 D HA 0.256 4.897 4.640 0.001 0.000 0.236 886 D C -0.768 175.541 176.300 0.015 0.000 1.082 886 D CA -0.053 53.955 54.000 0.014 0.000 0.834 886 D CB 0.169 40.971 40.800 0.003 0.000 1.100 886 D HN 0.524 nan 8.370 nan 0.000 0.486 887 N N 2.854 121.559 118.700 0.010 0.000 2.758 887 N HA -0.175 4.565 4.740 0.001 0.000 0.248 887 N C -0.545 174.973 175.510 0.013 0.000 1.076 887 N CA 0.958 54.013 53.050 0.008 0.000 0.696 887 N CB -0.999 37.491 38.487 0.005 0.000 0.979 887 N HN 0.244 nan 8.380 nan 0.000 0.550 888 V N -1.880 118.045 119.914 0.018 0.000 3.159 888 V HA 0.241 4.361 4.120 0.001 0.000 0.234 888 V C 0.905 177.011 176.094 0.020 0.000 1.313 888 V CA 1.361 63.673 62.300 0.021 0.000 1.271 888 V CB 0.773 32.615 31.823 0.031 0.000 1.053 888 V HN 0.592 nan 8.190 nan 0.000 0.476 889 T N -0.786 113.782 114.554 0.023 0.000 2.932 889 T HA 0.875 5.226 4.350 0.001 0.000 0.289 889 T C -0.370 174.343 174.700 0.022 0.000 1.039 889 T CA -0.044 62.069 62.100 0.023 0.000 1.024 889 T CB 2.440 71.326 68.868 0.029 0.000 1.090 889 T HN 0.391 nan 8.240 nan 0.000 0.496 890 A N 1.289 124.125 122.820 0.027 0.000 2.309 890 A HA 0.840 5.160 4.320 0.001 0.000 0.317 890 A C -0.737 176.882 177.584 0.060 0.000 1.134 890 A CA -1.161 50.897 52.037 0.035 0.000 0.866 890 A CB 0.821 19.841 19.000 0.033 0.000 1.329 890 A HN 0.866 nan 8.150 nan 0.000 0.477 891 L N 1.349 122.623 121.223 0.085 0.000 2.272 891 L HA 0.582 4.923 4.340 0.001 0.000 0.289 891 L C 0.949 177.961 176.870 0.238 0.000 1.032 891 L CA 0.583 55.536 54.840 0.188 0.000 0.810 891 L CB 0.715 42.847 42.059 0.121 0.000 1.205 891 L HN 1.363 nan 8.230 nan 0.000 0.422 892 G N 2.600 111.527 108.800 0.211 0.000 2.698 892 G HA2 0.163 4.123 3.960 0.001 0.000 0.233 892 G HA3 0.163 4.123 3.960 0.001 0.000 0.233 892 G C -0.238 174.661 174.900 -0.002 0.000 1.352 892 G CA -0.432 44.675 45.100 0.011 0.000 0.879 892 G HN 1.106 nan 8.290 nan 0.000 0.567 893 G N -2.518 106.261 108.800 -0.034 0.000 2.576 893 G HA2 0.738 4.698 3.960 0.001 0.000 0.290 893 G HA3 0.738 4.698 3.960 0.001 0.000 0.290 893 G C -1.958 172.926 174.900 -0.026 0.000 1.442 893 G CA 0.394 45.480 45.100 -0.022 0.000 0.792 893 G HN 0.601 nan 8.290 nan 0.000 0.491 894 P HA -0.040 nan 4.420 nan 0.000 0.217 894 P C 1.511 178.798 177.300 -0.023 0.000 1.148 894 P CA 1.691 64.782 63.100 -0.015 0.000 0.828 894 P CB 0.303 31.997 31.700 -0.011 0.000 0.783 895 S N -2.285 113.396 115.700 -0.032 0.000 2.540 895 S HA 0.150 4.620 4.470 0.001 0.000 0.218 895 S C 0.337 174.904 174.600 -0.056 0.000 0.977 895 S CA -0.133 58.045 58.200 -0.036 0.000 0.918 895 S CB -0.336 62.844 63.200 -0.032 0.000 0.806 895 S HN 0.182 nan 8.310 nan 0.000 0.496 896 N N 1.712 120.365 118.700 -0.078 0.000 2.752 896 N HA 0.319 5.060 4.740 0.001 0.000 0.260 896 N C -0.948 174.453 175.510 -0.182 0.000 1.562 896 N CA -0.309 52.660 53.050 -0.134 0.000 0.788 896 N CB 0.816 39.209 38.487 -0.156 0.000 1.192 896 N HN 0.025 nan 8.380 nan 0.000 0.503 897 R N 0.372 120.798 120.500 -0.124 0.000 2.357 897 R HA 0.389 4.730 4.340 0.001 0.000 0.296 897 R C -0.479 175.757 176.300 -0.108 0.000 1.052 897 R CA -0.377 55.675 56.100 -0.079 0.000 0.988 897 R CB 0.785 31.080 30.300 -0.008 0.000 1.025 897 R HN 0.239 nan 8.270 nan 0.000 0.469 898 F N 0.867 120.821 119.950 0.007 0.000 2.484 898 F HA -0.018 4.509 4.527 0.001 0.000 0.360 898 F C 2.059 177.865 175.800 0.009 0.000 1.101 898 F CA 0.232 58.241 58.000 0.015 0.000 1.251 898 F CB 1.179 40.186 39.000 0.011 0.000 1.132 898 F HN 0.694 nan 8.300 nan 0.000 0.570 899 T N -1.530 113.152 114.554 0.213 0.000 2.759 899 T HA -0.101 4.250 4.350 0.001 0.000 0.269 899 T C 0.759 175.503 174.700 0.074 0.000 1.042 899 T CA 1.616 63.786 62.100 0.117 0.000 1.140 899 T CB -0.171 68.764 68.868 0.113 0.000 0.864 899 T HN 0.694 nan 8.240 nan 0.000 0.455 900 T N -0.790 113.807 114.554 0.073 0.000 2.654 900 T HA 0.550 4.900 4.350 0.001 0.000 0.303 900 T C -2.355 172.294 174.700 -0.084 0.000 1.656 900 T CA -0.307 61.762 62.100 -0.052 0.000 0.971 900 T CB 0.931 69.678 68.868 -0.201 0.000 1.811 900 T HN 0.749 nan 8.240 nan 0.000 0.483 901 A N 1.344 124.052 122.820 -0.186 0.000 2.359 901 A HA 0.727 5.047 4.320 0.001 0.000 0.303 901 A C -1.789 175.650 177.584 -0.243 0.000 1.066 901 A CA -0.460 51.473 52.037 -0.174 0.000 0.730 901 A CB 0.725 19.637 19.000 -0.147 0.000 1.211 901 A HN 0.710 nan 8.150 nan 0.000 0.439 902 Y N 2.751 123.020 120.300 -0.052 0.000 2.504 902 Y HA 0.494 5.044 4.550 0.001 0.000 0.351 902 Y C 0.115 175.992 175.900 -0.038 0.000 0.988 902 Y CA 0.349 58.430 58.100 -0.033 0.000 1.239 902 Y CB 0.641 39.088 38.460 -0.021 0.000 1.128 902 Y HN 0.503 nan 8.280 nan 0.000 0.525 903 L N 1.273 122.531 121.223 0.059 0.000 2.354 903 L HA 0.531 4.871 4.340 0.001 0.000 0.264 903 L C 1.115 178.005 176.870 0.034 0.000 1.008 903 L CA -0.780 54.077 54.840 0.028 0.000 0.819 903 L CB 2.207 44.256 42.059 -0.016 0.000 1.339 903 L HN 0.693 nan 8.230 nan 0.000 0.420 904 G N 0.010 108.823 108.800 0.023 0.000 3.042 904 G HA2 0.184 4.145 3.960 0.001 0.000 0.212 904 G HA3 0.184 4.145 3.960 0.001 0.000 0.212 904 G C 0.231 175.135 174.900 0.007 0.000 1.166 904 G CA 0.589 45.700 45.100 0.019 0.000 0.767 904 G HN 0.590 nan 8.290 nan 0.000 0.546 905 S N -0.891 114.808 115.700 -0.001 0.000 2.587 905 S HA 0.346 4.817 4.470 0.001 0.000 0.269 905 S C -1.100 173.491 174.600 -0.014 0.000 1.154 905 S CA -1.083 57.113 58.200 -0.007 0.000 0.824 905 S CB 1.108 64.304 63.200 -0.007 0.000 1.118 905 S HN -0.025 nan 8.310 nan 0.000 0.462 906 N N 1.939 120.629 118.700 -0.015 0.000 2.345 906 N HA 0.257 4.997 4.740 0.001 0.000 0.243 906 N C -2.476 173.021 175.510 -0.022 0.000 1.246 906 N CA -0.442 52.596 53.050 -0.020 0.000 0.863 906 N CB -0.633 37.844 38.487 -0.017 0.000 1.096 906 N HN 0.500 nan 8.380 nan 0.000 0.446 907 P HA 0.079 nan 4.420 nan 0.000 0.266 907 P C -0.067 177.221 177.300 -0.021 0.000 1.193 907 P CA 0.232 63.316 63.100 -0.026 0.000 0.770 907 P CB 0.488 32.172 31.700 -0.028 0.000 0.836 908 I N 2.799 123.357 120.570 -0.021 0.000 2.269 908 I HA 0.115 4.285 4.170 0.001 0.000 0.293 908 I C 0.446 176.553 176.117 -0.016 0.000 1.106 908 I CA -0.607 60.683 61.300 -0.017 0.000 1.248 908 I CB 0.421 38.411 38.000 -0.018 0.000 1.444 908 I HN 0.099 nan 8.210 nan 0.000 0.497 909 V N 5.644 125.550 119.914 -0.014 0.000 2.407 909 V HA 0.564 4.684 4.120 0.001 0.000 0.278 909 V C -0.125 175.963 176.094 -0.010 0.000 1.037 909 V CA 0.472 62.764 62.300 -0.012 0.000 0.900 909 V CB 1.681 33.498 31.823 -0.011 0.000 0.983 909 V HN 0.701 nan 8.190 nan 0.000 0.459 910 T N 0.000 114.548 114.554 -0.010 0.000 3.816 910 T HA 0.000 4.351 4.350 0.001 0.000 0.228 910 T CA 0.000 62.095 62.100 -0.008 0.000 1.349 910 T CB 0.000 68.862 68.868 -0.010 0.000 0.612 910 T HN 0.000 nan 8.240 nan 0.000 0.658