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 1jib_1_B DATA FIRST_RESID 1 DATA SEQUENCE MLLEAIFHEA KGSYAYPISE TQLRVRLRAK KGDVVRCEVL YADRYASPEE DATA SEQUENCE ELAHALAGKA GSDERFDYFE ALLECSTKRV KYVFLLTGPQ GEAVYFGETG DATA SEQUENCE FSAERSKAGV FQYAYIHRSE VFTTPEWAKE AVIYQIFPER FANGDPSNDP DATA SEQUENCE PGTEQWAKDA RPRHDSFYGG DLKGVIDRLP YLEELGVTAL YFTPIFASPS DATA SEQUENCE HHKYDTADYL AIDPQFGDLP TFRRLVDEAH RRGIKIILDA VFNHAGDQFF DATA SEQUENCE AFRDVLQKGE QSRYKDWFFI EDFPVSKTSR TNYETFAVQV PAMPKLRTEN DATA SEQUENCE PEVKEYLFDV ARFWMEQGID GWRLNVANEV DHAFWREFRR LVKSLNPDAL DATA SEQUENCE IVGEIWHDAS GWLMGDQFDS VMNYLFRESV IRFFATGEIH AERFDAELTR DATA SEQUENCE ARMLYPEQAA QGLWNLLDSH DTERFLTSCG GNEAKFRLAV LFQMTYLGTP DATA SEQUENCE LIYYGDEIGM AGATDPDCRR PMIWEEKEQN RGLFEFYKEL IRLRHRLASL DATA SEQUENCE TRGNVRSWHA DKQANLYAFV RTVQDQHVGV VLNNRGEKQT VLLQVPESGG DATA SEQUENCE KTWLDCLTGE EVHGKQGQLK LTLRPYQGMI LWNGR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.225 176.300 -0.125 0.000 1.140 1 M CA 0.000 55.245 55.300 -0.092 0.000 0.988 1 M CB 0.000 32.540 32.600 -0.100 0.000 1.302 2 L N 3.853 125.005 121.223 -0.118 0.000 2.342 2 L HA 0.198 4.537 4.340 -0.003 0.000 0.285 2 L C 0.571 177.325 176.870 -0.194 0.000 1.095 2 L CA -0.640 54.121 54.840 -0.132 0.000 0.843 2 L CB 0.678 42.679 42.059 -0.097 0.000 1.201 2 L HN 0.746 nan 8.230 nan 0.000 0.445 3 L N 2.508 123.555 121.223 -0.294 0.000 2.291 3 L HA -0.107 4.232 4.340 -0.003 0.000 0.214 3 L C 1.947 178.623 176.870 -0.323 0.000 1.120 3 L CA 1.195 55.712 54.840 -0.538 0.000 0.799 3 L CB -0.577 41.027 42.059 -0.759 0.000 0.925 3 L HN 0.549 nan 8.230 nan 0.000 0.446 4 E N -0.398 119.713 120.200 -0.148 0.000 2.515 4 E HA -0.011 4.337 4.350 -0.003 0.000 0.201 4 E C 1.816 178.436 176.600 0.033 0.000 1.071 4 E CA 0.807 57.187 56.400 -0.032 0.000 0.880 4 E CB -0.282 29.408 29.700 -0.018 0.000 0.828 4 E HN 0.401 nan 8.360 nan 0.000 0.540 5 A N 0.296 123.128 122.820 0.020 0.000 2.324 5 A HA 0.252 4.571 4.320 -0.003 0.000 0.220 5 A C 0.673 178.402 177.584 0.242 0.000 1.209 5 A CA -0.387 51.751 52.037 0.168 0.000 0.918 5 A CB 0.245 19.307 19.000 0.103 0.000 0.959 5 A HN 0.122 nan 8.150 nan 0.000 0.507 6 I N 0.602 121.227 120.570 0.093 0.000 2.496 6 I HA 0.305 4.474 4.170 -0.003 0.000 0.285 6 I C -0.456 175.841 176.117 0.301 0.000 1.080 6 I CA 0.191 61.568 61.300 0.128 0.000 1.404 6 I CB 0.578 38.540 38.000 -0.063 0.000 1.403 6 I HN 0.301 nan 8.210 nan 0.000 0.539 7 F N 6.646 126.700 119.950 0.173 0.000 2.591 7 F HA 0.627 5.152 4.527 -0.002 0.000 0.309 7 F C -0.755 175.145 175.800 0.167 0.000 1.098 7 F CA -0.467 57.634 58.000 0.168 0.000 0.937 7 F CB 1.609 40.561 39.000 -0.080 0.000 1.250 7 F HN 0.556 nan 8.300 nan 0.000 0.447 8 H N 2.668 120.940 119.070 -1.330 0.000 3.081 8 H HA 0.458 5.013 4.556 -0.003 0.000 0.322 8 H C -2.140 172.586 175.328 -1.004 0.000 1.266 8 H CA -0.495 54.877 56.048 -1.127 0.000 1.279 8 H CB 1.579 30.955 29.762 -0.643 0.000 1.954 8 H HN 0.708 nan 8.280 nan 0.000 0.530 9 E N 2.652 121.830 120.200 -1.703 0.000 2.356 9 E HA 0.632 4.980 4.350 -0.003 0.000 0.275 9 E C -1.141 175.038 176.600 -0.702 0.000 0.904 9 E CA -1.132 54.726 56.400 -0.903 0.000 0.757 9 E CB 2.140 31.664 29.700 -0.294 0.000 1.232 9 E HN 0.668 nan 8.360 nan 0.000 0.442 10 A N 3.217 125.953 122.820 -0.140 0.000 2.958 10 A HA 0.196 4.514 4.320 -0.003 0.000 0.247 10 A C 0.033 177.809 177.584 0.318 0.000 1.679 10 A CA 0.557 52.740 52.037 0.244 0.000 1.345 10 A CB -0.980 18.202 19.000 0.303 0.000 1.013 10 A HN 0.627 nan 8.150 nan 0.000 0.641 11 K N -2.453 118.120 120.400 0.288 0.000 2.872 11 K HA 0.572 4.890 4.320 -0.003 0.000 0.291 11 K C 0.700 177.500 176.600 0.334 0.000 1.000 11 K CA -0.405 56.085 56.287 0.338 0.000 0.750 11 K CB -0.474 32.142 32.500 0.193 0.000 1.415 11 K HN 1.331 nan 8.250 nan 0.000 0.361 12 G N 0.853 109.833 108.800 0.300 0.000 2.651 12 G HA2 -0.416 3.542 3.960 -0.003 0.000 0.315 12 G HA3 -0.416 3.542 3.960 -0.003 0.000 0.315 12 G C 0.732 175.849 174.900 0.362 0.000 1.258 12 G CA 1.611 46.888 45.100 0.296 0.000 1.002 12 G HN 1.520 nan 8.290 nan 0.000 0.551 13 S N -1.117 114.805 115.700 0.370 0.000 2.557 13 S HA 0.418 4.886 4.470 -0.003 0.000 0.223 13 S C 1.273 175.950 174.600 0.128 0.000 0.969 13 S CA 0.921 59.301 58.200 0.299 0.000 0.927 13 S CB 0.241 63.538 63.200 0.162 0.000 0.806 13 S HN 0.595 nan 8.310 nan 0.000 0.489 14 Y N 1.935 122.392 120.300 0.262 0.000 2.467 14 Y HA 0.656 5.204 4.550 -0.003 0.000 0.250 14 Y C 0.803 176.825 175.900 0.203 0.000 1.155 14 Y CA -0.215 58.019 58.100 0.223 0.000 1.249 14 Y CB 0.740 39.314 38.460 0.189 0.000 1.146 14 Y HN 0.464 nan 8.280 nan 0.000 0.524 15 A N 0.322 123.277 122.820 0.224 0.000 2.511 15 A HA 0.599 4.917 4.320 -0.003 0.000 0.292 15 A C -1.898 175.676 177.584 -0.016 0.000 1.045 15 A CA -0.593 51.459 52.037 0.026 0.000 0.870 15 A CB -0.174 18.989 19.000 0.271 0.000 1.361 15 A HN 0.228 nan 8.150 nan 0.000 0.396 16 Y N 0.723 120.901 120.300 -0.204 0.000 2.558 16 Y HA 0.853 5.401 4.550 -0.003 0.000 0.333 16 Y C -3.343 172.417 175.900 -0.233 0.000 1.125 16 Y CA -2.852 55.149 58.100 -0.165 0.000 1.039 16 Y CB 1.282 39.762 38.460 0.033 0.000 1.331 16 Y HN 0.374 nan 8.280 nan 0.000 0.456 17 P HA 0.319 nan 4.420 nan 0.000 0.284 17 P C 0.259 177.686 177.300 0.212 0.000 1.253 17 P CA -0.267 62.859 63.100 0.044 0.000 0.800 17 P CB 2.149 33.919 31.700 0.117 0.000 0.961 18 I N -0.776 119.861 120.570 0.110 0.000 4.227 18 I HA 0.331 4.499 4.170 -0.003 0.000 0.334 18 I C 0.359 176.520 176.117 0.072 0.000 1.341 18 I CA -0.158 61.221 61.300 0.132 0.000 1.123 18 I CB 0.553 38.617 38.000 0.107 0.000 1.097 18 I HN 0.263 nan 8.210 nan 0.000 0.399 19 S N 0.182 115.914 115.700 0.053 0.000 2.643 19 S HA 0.264 4.732 4.470 -0.003 0.000 0.270 19 S C 0.252 174.881 174.600 0.050 0.000 1.166 19 S CA -0.457 57.768 58.200 0.043 0.000 0.815 19 S CB 1.674 64.883 63.200 0.016 0.000 1.139 19 S HN 0.272 nan 8.310 nan 0.000 0.472 20 E N -0.142 120.088 120.200 0.050 0.000 2.347 20 E HA -0.031 4.318 4.350 -0.003 0.000 0.196 20 E C 0.638 177.255 176.600 0.028 0.000 1.008 20 E CA 1.520 57.955 56.400 0.059 0.000 0.852 20 E CB 0.045 29.778 29.700 0.056 0.000 0.783 20 E HN 0.703 nan 8.360 nan 0.000 0.505 21 T N -2.477 112.081 114.554 0.006 0.000 3.145 21 T HA 0.265 4.614 4.350 -0.003 0.000 0.281 21 T C 0.103 174.779 174.700 -0.040 0.000 1.003 21 T CA -0.458 61.634 62.100 -0.014 0.000 0.901 21 T CB 0.471 69.335 68.868 -0.007 0.000 1.112 21 T HN -0.102 nan 8.240 nan 0.000 0.535 22 Q N 0.936 120.704 119.800 -0.054 0.000 2.323 22 Q HA 0.708 5.047 4.340 -0.003 0.000 0.271 22 Q C -1.957 173.945 176.000 -0.164 0.000 1.048 22 Q CA -0.887 54.853 55.803 -0.105 0.000 0.792 22 Q CB 2.864 31.556 28.738 -0.076 0.000 1.280 22 Q HN 0.181 nan 8.270 nan 0.000 0.441 23 L N 1.903 122.962 121.223 -0.273 0.000 2.356 23 L HA 0.503 4.842 4.340 -0.003 0.000 0.277 23 L C -1.030 175.557 176.870 -0.471 0.000 0.996 23 L CA -0.382 54.219 54.840 -0.398 0.000 0.822 23 L CB 1.352 43.125 42.059 -0.477 0.000 1.256 23 L HN 0.477 nan 8.230 nan 0.000 0.413 24 R N 2.954 123.099 120.500 -0.591 0.000 2.441 24 R HA 0.616 4.955 4.340 -0.003 0.000 0.284 24 R C -1.350 174.581 176.300 -0.615 0.000 1.070 24 R CA -0.379 55.341 56.100 -0.633 0.000 1.047 24 R CB 1.591 31.322 30.300 -0.948 0.000 1.016 24 R HN 0.482 nan 8.270 nan 0.000 0.477 25 V N 4.616 124.279 119.914 -0.419 0.000 2.686 25 V HA 0.451 4.570 4.120 -0.003 0.000 0.306 25 V C -0.445 175.571 176.094 -0.130 0.000 1.065 25 V CA -0.685 61.435 62.300 -0.300 0.000 0.894 25 V CB 2.338 33.893 31.823 -0.446 0.000 1.004 25 V HN 0.698 nan 8.190 nan 0.000 0.424 26 R N 3.960 124.446 120.500 -0.023 0.000 2.803 26 R HA 0.848 5.186 4.340 -0.003 0.000 0.276 26 R C -1.454 174.992 176.300 0.242 0.000 0.978 26 R CA -0.808 55.325 56.100 0.055 0.000 0.939 26 R CB 2.675 32.888 30.300 -0.144 0.000 1.179 26 R HN 0.594 nan 8.270 nan 0.000 0.472 27 L N 0.843 122.219 121.223 0.254 0.000 2.513 27 L HA 0.536 4.875 4.340 -0.003 0.000 0.261 27 L C -1.267 175.817 176.870 0.358 0.000 0.945 27 L CA -0.669 54.284 54.840 0.188 0.000 0.848 27 L CB 2.161 43.998 42.059 -0.370 0.000 1.334 27 L HN 0.541 nan 8.230 nan 0.000 0.407 28 R N 3.111 123.812 120.500 0.334 0.000 2.540 28 R HA 0.920 5.258 4.340 -0.003 0.000 0.287 28 R C -0.971 175.472 176.300 0.239 0.000 0.980 28 R CA -0.455 55.776 56.100 0.218 0.000 0.966 28 R CB 1.961 32.264 30.300 0.006 0.000 1.106 28 R HN 0.742 nan 8.270 nan 0.000 0.480 29 A N 1.669 124.666 122.820 0.294 0.000 2.610 29 A HA 0.341 4.660 4.320 -0.003 0.000 0.291 29 A C -1.313 176.432 177.584 0.268 0.000 1.086 29 A CA -0.855 51.343 52.037 0.269 0.000 0.677 29 A CB 1.311 20.430 19.000 0.199 0.000 1.278 29 A HN 0.651 nan 8.150 nan 0.000 0.414 30 K N 1.021 121.483 120.400 0.103 0.000 2.489 30 K HA 0.076 4.394 4.320 -0.003 0.000 0.278 30 K C 0.233 176.834 176.600 0.002 0.000 1.000 30 K CA 0.046 56.304 56.287 -0.048 0.000 1.012 30 K CB 0.329 32.776 32.500 -0.088 0.000 0.903 30 K HN 0.629 nan 8.250 nan 0.000 0.485 31 K N 2.609 122.978 120.400 -0.053 0.000 2.491 31 K HA -0.096 4.222 4.320 -0.003 0.000 0.279 31 K C 0.650 177.258 176.600 0.014 0.000 1.026 31 K CA 1.283 57.565 56.287 -0.009 0.000 1.070 31 K CB -0.090 32.383 32.500 -0.045 0.000 0.887 31 K HN 0.858 nan 8.250 nan 0.000 0.481 32 G N 3.727 112.565 108.800 0.063 0.000 2.184 32 G HA2 -0.289 3.670 3.960 -0.003 0.000 0.264 32 G HA3 -0.289 3.670 3.960 -0.003 0.000 0.264 32 G C 0.588 175.514 174.900 0.043 0.000 0.975 32 G CA 0.537 45.670 45.100 0.055 0.000 0.642 32 G HN 0.801 nan 8.290 nan 0.000 0.536 33 D N -0.545 119.880 120.400 0.042 0.000 2.162 33 D HA 0.207 4.846 4.640 -0.003 0.000 0.203 33 D C 1.515 177.814 176.300 -0.001 0.000 0.967 33 D CA 1.632 55.636 54.000 0.006 0.000 0.840 33 D CB 0.356 41.150 40.800 -0.009 0.000 0.972 33 D HN 1.089 nan 8.370 nan 0.000 0.482 34 V N -0.624 119.306 119.914 0.028 0.000 2.540 34 V HA 0.452 4.570 4.120 -0.003 0.000 0.302 34 V C 0.668 176.764 176.094 0.005 0.000 1.035 34 V CA -0.641 61.621 62.300 -0.064 0.000 0.873 34 V CB 1.993 33.673 31.823 -0.239 0.000 0.992 34 V HN -0.054 nan 8.190 nan 0.000 0.428 35 V N 1.537 121.441 119.914 -0.016 0.000 3.643 35 V HA 0.627 4.746 4.120 -0.003 0.000 0.280 35 V C 0.637 176.748 176.094 0.028 0.000 1.351 35 V CA 0.210 62.546 62.300 0.059 0.000 1.073 35 V CB -0.089 31.761 31.823 0.046 0.000 0.863 35 V HN 0.917 nan 8.190 nan 0.000 0.436 36 R N 0.565 121.012 120.500 -0.089 0.000 2.542 36 R HA 0.463 4.801 4.340 -0.003 0.000 0.284 36 R C -2.057 174.136 176.300 -0.178 0.000 1.167 36 R CA 0.148 56.202 56.100 -0.077 0.000 1.000 36 R CB 1.406 31.689 30.300 -0.028 0.000 1.229 36 R HN 0.416 nan 8.270 nan 0.000 0.416 37 C N 4.000 123.172 119.300 -0.213 0.000 2.346 37 C HA 0.613 5.071 4.460 -0.003 0.000 0.326 37 C C -0.357 174.643 174.990 0.016 0.000 1.224 37 C CA -0.404 58.498 59.018 -0.194 0.000 1.408 37 C CB 0.887 28.327 27.740 -0.501 0.000 2.089 37 C HN 0.933 nan 8.230 nan 0.000 0.456 38 E N 3.787 124.046 120.200 0.098 0.000 2.227 38 E HA 0.726 5.074 4.350 -0.003 0.000 0.268 38 E C -1.325 175.412 176.600 0.229 0.000 0.907 38 E CA -0.569 55.925 56.400 0.158 0.000 0.786 38 E CB 2.088 31.873 29.700 0.143 0.000 1.191 38 E HN 0.657 nan 8.360 nan 0.000 0.411 39 V N 4.375 124.403 119.914 0.190 0.000 2.384 39 V HA 0.341 4.460 4.120 -0.003 0.000 0.287 39 V C -0.815 175.362 176.094 0.139 0.000 1.020 39 V CA -0.856 61.500 62.300 0.094 0.000 0.850 39 V CB 1.114 32.902 31.823 -0.059 0.000 0.987 39 V HN 0.533 nan 8.190 nan 0.000 0.436 40 L N 6.882 128.164 121.223 0.098 0.000 2.305 40 L HA 0.675 5.014 4.340 -0.003 0.000 0.284 40 L C -0.453 176.475 176.870 0.098 0.000 1.013 40 L CA -0.485 54.363 54.840 0.014 0.000 0.819 40 L CB 0.894 42.946 42.059 -0.011 0.000 1.227 40 L HN 0.766 nan 8.230 nan 0.000 0.417 41 Y N 1.459 121.703 120.300 -0.093 0.000 2.677 41 Y HA 1.003 5.552 4.550 -0.003 0.000 0.334 41 Y C -0.701 175.166 175.900 -0.054 0.000 1.154 41 Y CA -1.320 56.760 58.100 -0.033 0.000 1.070 41 Y CB 1.712 40.170 38.460 -0.002 0.000 1.294 41 Y HN 0.665 nan 8.280 nan 0.000 0.475 42 A N 0.684 123.547 122.820 0.072 0.000 2.586 42 A HA 0.436 4.754 4.320 -0.003 0.000 0.290 42 A C -1.849 175.786 177.584 0.085 0.000 1.086 42 A CA -0.520 51.500 52.037 -0.028 0.000 0.665 42 A CB 0.975 19.928 19.000 -0.080 0.000 1.279 42 A HN 0.967 nan 8.150 nan 0.000 0.423 43 D N -0.183 120.251 120.400 0.057 0.000 2.449 43 D HA 0.171 4.810 4.640 -0.003 0.000 0.236 43 D C 1.199 177.517 176.300 0.030 0.000 1.149 43 D CA 0.165 54.208 54.000 0.072 0.000 0.878 43 D CB 0.607 41.455 40.800 0.080 0.000 1.198 43 D HN 0.454 nan 8.370 nan 0.000 0.446 44 R N 1.674 122.167 120.500 -0.013 0.000 2.159 44 R HA -0.172 4.167 4.340 -0.003 0.000 0.237 44 R C 0.672 176.763 176.300 -0.349 0.000 1.131 44 R CA 1.124 57.105 56.100 -0.198 0.000 0.982 44 R CB -0.204 29.913 30.300 -0.305 0.000 0.868 44 R HN 0.625 nan 8.270 nan 0.000 0.453 45 Y N -0.086 120.221 120.300 0.011 0.000 2.625 45 Y HA 0.333 4.882 4.550 -0.003 0.000 0.285 45 Y C 0.546 176.443 175.900 -0.004 0.000 1.168 45 Y CA -0.694 57.409 58.100 0.004 0.000 1.250 45 Y CB 0.221 38.686 38.460 0.009 0.000 1.130 45 Y HN -0.015 nan 8.280 nan 0.000 0.526 46 A N 0.887 123.745 122.820 0.063 0.000 2.511 46 A HA 0.308 4.627 4.320 -0.003 0.000 0.242 46 A C 0.673 178.267 177.584 0.017 0.000 1.069 46 A CA -0.235 51.822 52.037 0.033 0.000 0.763 46 A CB -0.049 18.949 19.000 -0.004 0.000 1.001 46 A HN 0.407 nan 8.150 nan 0.000 0.498 47 S N 2.971 118.680 115.700 0.016 0.000 2.585 47 S HA 0.311 4.780 4.470 -0.003 0.000 0.273 47 S C -2.009 172.583 174.600 -0.013 0.000 1.339 47 S CA -0.774 57.429 58.200 0.006 0.000 1.028 47 S CB 0.459 63.663 63.200 0.007 0.000 0.906 47 S HN 0.512 nan 8.310 nan 0.000 0.528 48 P HA -0.048 nan 4.420 nan 0.000 0.215 48 P C 0.296 177.581 177.300 -0.025 0.000 1.157 48 P CA 0.994 64.079 63.100 -0.026 0.000 0.863 48 P CB -0.077 31.610 31.700 -0.023 0.000 0.787 49 E N -0.176 120.014 120.200 -0.018 0.000 2.352 49 E HA 0.031 4.380 4.350 -0.003 0.000 0.197 49 E C 0.084 176.673 176.600 -0.018 0.000 1.224 49 E CA 0.286 56.676 56.400 -0.016 0.000 1.118 49 E CB -1.002 28.692 29.700 -0.010 0.000 1.198 49 E HN 0.360 nan 8.360 nan 0.000 0.454 50 E N 0.704 120.889 120.200 -0.026 0.000 2.187 50 E HA 0.215 4.563 4.350 -0.003 0.000 0.268 50 E C -0.883 175.688 176.600 -0.047 0.000 0.896 50 E CA -0.843 55.538 56.400 -0.033 0.000 0.766 50 E CB 0.813 30.494 29.700 -0.032 0.000 1.142 50 E HN -0.125 nan 8.360 nan 0.000 0.408 51 E N 3.246 123.417 120.200 -0.047 0.000 2.384 51 E HA 0.110 4.458 4.350 -0.003 0.000 0.266 51 E C -0.456 176.076 176.600 -0.113 0.000 1.012 51 E CA -0.236 56.130 56.400 -0.058 0.000 0.901 51 E CB 0.437 30.116 29.700 -0.035 0.000 0.967 51 E HN 0.406 nan 8.360 nan 0.000 0.435 52 L N 1.998 123.123 121.223 -0.163 0.000 2.456 52 L HA 0.494 4.833 4.340 -0.003 0.000 0.257 52 L C 0.517 177.143 176.870 -0.407 0.000 1.162 52 L CA -0.495 54.175 54.840 -0.282 0.000 0.808 52 L CB 0.282 42.163 42.059 -0.297 0.000 1.136 52 L HN 0.585 nan 8.230 nan 0.000 0.466 53 A N 0.597 123.044 122.820 -0.622 0.000 2.279 53 A HA 0.496 4.814 4.320 -0.003 0.000 0.303 53 A C -0.323 176.858 177.584 -0.672 0.000 1.108 53 A CA -0.402 51.227 52.037 -0.680 0.000 0.830 53 A CB 0.365 18.682 19.000 -1.139 0.000 1.106 53 A HN 0.742 nan 8.150 nan 0.000 0.493 54 H N -0.261 118.709 119.070 -0.166 0.000 2.529 54 H HA 0.682 5.236 4.556 -0.003 0.000 0.348 54 H C -0.446 174.956 175.328 0.123 0.000 1.152 54 H CA 0.194 56.241 56.048 -0.002 0.000 1.202 54 H CB 2.005 31.771 29.762 0.006 0.000 1.562 54 H HN 0.839 nan 8.280 nan 0.000 0.515 55 A N 3.901 126.889 122.820 0.281 0.000 2.466 55 A HA 0.312 4.630 4.320 -0.003 0.000 0.284 55 A C -1.253 176.424 177.584 0.154 0.000 1.049 55 A CA -0.584 51.577 52.037 0.208 0.000 0.760 55 A CB 0.887 19.998 19.000 0.185 0.000 1.274 55 A HN 0.579 nan 8.150 nan 0.000 0.412 56 L N 2.812 124.108 121.223 0.121 0.000 2.276 56 L HA 0.715 5.053 4.340 -0.003 0.000 0.286 56 L C 0.459 177.392 176.870 0.104 0.000 1.061 56 L CA -0.139 54.766 54.840 0.108 0.000 0.807 56 L CB 1.302 43.412 42.059 0.086 0.000 1.177 56 L HN 0.821 nan 8.230 nan 0.000 0.429 57 A N 4.492 127.392 122.820 0.132 0.000 2.253 57 A HA 0.630 4.948 4.320 -0.003 0.000 0.316 57 A C 0.354 178.077 177.584 0.233 0.000 1.327 57 A CA -0.135 51.999 52.037 0.162 0.000 0.917 57 A CB 0.389 19.508 19.000 0.199 0.000 1.162 57 A HN 0.816 nan 8.150 nan 0.000 0.535 58 G N 1.220 110.124 108.800 0.172 0.000 2.569 58 G HA2 0.374 4.332 3.960 -0.003 0.000 0.249 58 G HA3 0.374 4.332 3.960 -0.003 0.000 0.249 58 G C 0.144 175.147 174.900 0.172 0.000 1.216 58 G CA -0.610 44.596 45.100 0.177 0.000 0.845 58 G HN 0.846 nan 8.290 nan 0.000 0.568 59 K N 0.827 121.287 120.400 0.100 0.000 2.382 59 K HA 0.324 4.642 4.320 -0.003 0.000 0.286 59 K C 1.230 177.765 176.600 -0.108 0.000 1.062 59 K CA 0.176 56.332 56.287 -0.218 0.000 1.000 59 K CB 0.475 32.838 32.500 -0.228 0.000 0.954 59 K HN 0.392 nan 8.250 nan 0.000 0.470 60 A N 3.932 126.684 122.820 -0.112 0.000 2.067 60 A HA 0.218 4.537 4.320 -0.003 0.000 0.217 60 A C 0.876 178.448 177.584 -0.019 0.000 1.156 60 A CA 1.156 53.169 52.037 -0.039 0.000 0.683 60 A CB -0.190 18.787 19.000 -0.039 0.000 0.808 60 A HN 0.940 nan 8.150 nan 0.000 0.455 61 G N -2.266 106.525 108.800 -0.015 0.000 2.356 61 G HA2 0.514 4.473 3.960 -0.003 0.000 0.288 61 G HA3 0.514 4.473 3.960 -0.003 0.000 0.288 61 G C -0.762 174.250 174.900 0.186 0.000 1.302 61 G CA 0.126 45.264 45.100 0.063 0.000 0.887 61 G HN 1.491 nan 8.290 nan 0.000 0.521 62 S N -0.639 115.191 115.700 0.216 0.000 2.567 62 S HA 0.768 5.237 4.470 -0.003 0.000 0.270 62 S C -1.263 173.455 174.600 0.195 0.000 1.152 62 S CA 0.126 58.469 58.200 0.239 0.000 0.835 62 S CB 2.445 65.681 63.200 0.060 0.000 1.115 62 S HN 1.520 nan 8.310 nan 0.000 0.459 63 D N -0.053 120.471 120.400 0.208 0.000 2.784 63 D HA 0.432 5.070 4.640 -0.003 0.000 0.256 63 D C 0.899 177.227 176.300 0.047 0.000 1.129 63 D CA -0.623 53.452 54.000 0.125 0.000 1.102 63 D CB -0.341 40.592 40.800 0.221 0.000 1.330 63 D HN 0.407 nan 8.370 nan 0.000 0.626 64 E N -0.365 119.847 120.200 0.021 0.000 2.136 64 E HA -0.213 4.136 4.350 -0.003 0.000 0.202 64 E C 1.497 178.061 176.600 -0.060 0.000 1.019 64 E CA 1.665 58.055 56.400 -0.018 0.000 0.819 64 E CB 0.026 29.718 29.700 -0.013 0.000 0.739 64 E HN 0.535 nan 8.360 nan 0.000 0.458 65 R N -1.728 118.715 120.500 -0.095 0.000 2.544 65 R HA 0.236 4.574 4.340 -0.003 0.000 0.303 65 R C 0.296 176.325 176.300 -0.451 0.000 0.939 65 R CA -0.066 55.858 56.100 -0.293 0.000 1.102 65 R CB 0.372 30.410 30.300 -0.437 0.000 1.440 65 R HN -0.053 nan 8.270 nan 0.000 0.532 66 F N 1.260 121.130 119.950 -0.134 0.000 2.561 66 F HA 0.440 4.966 4.527 -0.003 0.000 0.321 66 F C -0.094 175.478 175.800 -0.380 0.000 1.065 66 F CA -1.058 56.774 58.000 -0.280 0.000 0.934 66 F CB 1.944 40.658 39.000 -0.477 0.000 1.215 66 F HN -0.247 nan 8.300 nan 0.000 0.471 67 D N 0.429 120.774 120.400 -0.091 0.000 2.198 67 D HA 0.413 5.051 4.640 -0.003 0.000 0.247 67 D C -1.553 174.546 176.300 -0.335 0.000 1.010 67 D CA -0.129 53.775 54.000 -0.159 0.000 0.880 67 D CB 1.047 41.881 40.800 0.057 0.000 1.209 67 D HN 0.260 nan 8.370 nan 0.000 0.451 68 Y N 1.250 121.370 120.300 -0.299 0.000 2.391 68 Y HA 0.504 5.053 4.550 -0.003 0.000 0.341 68 Y C -0.696 174.889 175.900 -0.525 0.000 0.965 68 Y CA -0.909 57.075 58.100 -0.192 0.000 1.067 68 Y CB 1.205 39.617 38.460 -0.081 0.000 1.199 68 Y HN 0.196 nan 8.280 nan 0.000 0.450 69 F N 1.206 121.261 119.950 0.175 0.000 2.508 69 F HA 0.546 5.071 4.527 -0.003 0.000 0.325 69 F C -0.094 175.740 175.800 0.057 0.000 1.090 69 F CA -0.925 57.132 58.000 0.095 0.000 0.945 69 F CB 1.955 40.988 39.000 0.056 0.000 1.156 69 F HN 0.353 nan 8.300 nan 0.000 0.463 70 E N 1.472 121.769 120.200 0.161 0.000 2.256 70 E HA 0.786 5.134 4.350 -0.003 0.000 0.268 70 E C -1.494 175.128 176.600 0.037 0.000 0.877 70 E CA -0.787 55.645 56.400 0.053 0.000 0.757 70 E CB 2.179 31.875 29.700 -0.007 0.000 1.183 70 E HN 0.760 nan 8.360 nan 0.000 0.418 71 A N 3.179 125.984 122.820 -0.026 0.000 2.515 71 A HA 0.720 5.039 4.320 -0.003 0.000 0.296 71 A C -1.886 175.596 177.584 -0.170 0.000 1.094 71 A CA -0.669 51.333 52.037 -0.058 0.000 0.718 71 A CB 1.425 20.413 19.000 -0.021 0.000 1.307 71 A HN 0.439 nan 8.150 nan 0.000 0.408 72 L N 1.823 122.948 121.223 -0.163 0.000 2.343 72 L HA 0.578 4.917 4.340 -0.003 0.000 0.278 72 L C -1.506 175.204 176.870 -0.266 0.000 0.996 72 L CA -0.478 54.229 54.840 -0.221 0.000 0.831 72 L CB 1.425 43.400 42.059 -0.141 0.000 1.232 72 L HN 0.505 nan 8.230 nan 0.000 0.413 73 L N 4.510 125.457 121.223 -0.461 0.000 2.276 73 L HA 0.469 4.807 4.340 -0.003 0.000 0.286 73 L C 0.334 176.980 176.870 -0.374 0.000 1.061 73 L CA -0.287 54.126 54.840 -0.712 0.000 0.807 73 L CB 0.777 41.940 42.059 -1.494 0.000 1.177 73 L HN 0.547 nan 8.230 nan 0.000 0.429 74 E N 3.013 123.170 120.200 -0.072 0.000 2.105 74 E HA 0.220 4.568 4.350 -0.003 0.000 0.285 74 E C -0.658 176.013 176.600 0.118 0.000 1.055 74 E CA -0.092 56.321 56.400 0.022 0.000 0.843 74 E CB 1.132 30.877 29.700 0.075 0.000 1.067 74 E HN 0.628 nan 8.360 nan 0.000 0.398 75 C N 1.570 120.889 119.300 0.032 0.000 2.647 75 C HA 0.249 4.708 4.460 -0.003 0.000 0.273 75 C C 1.726 176.731 174.990 0.025 0.000 1.088 75 C CA -0.950 58.114 59.018 0.077 0.000 1.529 75 C CB -0.846 26.918 27.740 0.040 0.000 1.810 75 C HN 0.622 nan 8.230 nan 0.000 0.422 76 S N 1.403 117.122 115.700 0.032 0.000 2.440 76 S HA -0.211 4.257 4.470 -0.003 0.000 0.238 76 S C 1.444 176.038 174.600 -0.011 0.000 1.010 76 S CA 1.995 60.200 58.200 0.008 0.000 0.972 76 S CB -0.896 62.313 63.200 0.015 0.000 0.774 76 S HN 0.917 nan 8.310 nan 0.000 0.501 77 T N -1.092 113.456 114.554 -0.009 0.000 3.160 77 T HA 0.269 4.617 4.350 -0.003 0.000 0.257 77 T C 0.643 175.262 174.700 -0.135 0.000 1.147 77 T CA 0.369 62.448 62.100 -0.035 0.000 1.064 77 T CB -0.609 68.267 68.868 0.014 0.000 0.949 77 T HN 0.484 nan 8.240 nan 0.000 0.526 78 K N -0.189 120.128 120.400 -0.139 0.000 3.472 78 K HA -0.180 4.138 4.320 -0.003 0.000 0.315 78 K C -0.153 176.273 176.600 -0.290 0.000 1.320 78 K CA 1.017 57.157 56.287 -0.245 0.000 0.962 78 K CB -1.147 31.091 32.500 -0.435 0.000 1.251 78 K HN 0.526 nan 8.250 nan 0.000 0.443 79 R N 0.142 120.557 120.500 -0.142 0.000 2.575 79 R HA 0.682 5.020 4.340 -0.003 0.000 0.293 79 R C -1.340 174.991 176.300 0.051 0.000 0.983 79 R CA -0.882 55.201 56.100 -0.029 0.000 0.887 79 R CB 2.753 33.059 30.300 0.011 0.000 1.184 79 R HN -0.025 nan 8.270 nan 0.000 0.445 80 V N 2.719 122.696 119.914 0.105 0.000 2.891 80 V HA 0.502 4.620 4.120 -0.003 0.000 0.304 80 V C -1.684 174.522 176.094 0.188 0.000 1.171 80 V CA -0.737 61.651 62.300 0.147 0.000 0.943 80 V CB 2.159 34.054 31.823 0.121 0.000 1.037 80 V HN 0.832 nan 8.190 nan 0.000 0.427 81 K N 5.776 126.275 120.400 0.165 0.000 2.316 81 K HA 0.828 5.146 4.320 -0.003 0.000 0.251 81 K C -1.572 175.134 176.600 0.177 0.000 0.934 81 K CA -0.655 55.677 56.287 0.075 0.000 0.802 81 K CB 2.180 34.654 32.500 -0.043 0.000 1.171 81 K HN 0.884 nan 8.250 nan 0.000 0.426 82 Y N -1.637 118.654 120.300 -0.014 0.000 2.625 82 Y HA 0.728 5.276 4.550 -0.003 0.000 0.338 82 Y C -1.720 174.106 175.900 -0.123 0.000 1.123 82 Y CA -1.410 56.644 58.100 -0.076 0.000 1.046 82 Y CB 1.554 39.901 38.460 -0.188 0.000 1.299 82 Y HN 0.369 nan 8.280 nan 0.000 0.464 83 V N 2.574 122.463 119.914 -0.042 0.000 2.841 83 V HA 0.596 4.715 4.120 -0.003 0.000 0.310 83 V C -1.665 174.436 176.094 0.012 0.000 1.090 83 V CA -1.166 61.127 62.300 -0.013 0.000 0.930 83 V CB 1.901 33.762 31.823 0.063 0.000 1.014 83 V HN 0.732 nan 8.190 nan 0.000 0.425 84 F N 5.656 125.761 119.950 0.258 0.000 2.385 84 F HA 0.647 5.172 4.527 -0.003 0.000 0.336 84 F C -0.060 175.883 175.800 0.239 0.000 1.100 84 F CA -0.437 57.702 58.000 0.232 0.000 1.116 84 F CB 1.732 40.868 39.000 0.226 0.000 1.166 84 F HN 0.371 nan 8.300 nan 0.000 0.511 85 L N 5.683 127.094 121.223 0.313 0.000 2.388 85 L HA 0.546 4.884 4.340 -0.003 0.000 0.267 85 L C -1.533 175.343 176.870 0.010 0.000 0.995 85 L CA -0.654 54.183 54.840 -0.005 0.000 0.864 85 L CB 0.672 42.630 42.059 -0.168 0.000 1.216 85 L HN 0.427 nan 8.230 nan 0.000 0.430 86 L N 2.431 123.657 121.223 0.004 0.000 2.313 86 L HA 0.816 5.154 4.340 -0.003 0.000 0.283 86 L C 0.049 176.869 176.870 -0.083 0.000 1.013 86 L CA -0.559 54.243 54.840 -0.064 0.000 0.816 86 L CB 1.363 43.376 42.059 -0.078 0.000 1.236 86 L HN 0.427 nan 8.230 nan 0.000 0.419 87 T N 0.632 115.129 114.554 -0.096 0.000 2.794 87 T HA 0.739 5.088 4.350 -0.003 0.000 0.280 87 T C 0.648 175.310 174.700 -0.063 0.000 0.987 87 T CA -0.420 61.637 62.100 -0.071 0.000 0.993 87 T CB 1.495 70.330 68.868 -0.054 0.000 0.939 87 T HN 0.909 nan 8.240 nan 0.000 0.449 88 G N 2.373 111.143 108.800 -0.049 0.000 2.563 88 G HA2 0.416 4.375 3.960 -0.003 0.000 0.283 88 G HA3 0.416 4.375 3.960 -0.003 0.000 0.283 88 G C -1.604 173.285 174.900 -0.020 0.000 1.309 88 G CA -1.594 43.484 45.100 -0.037 0.000 1.022 88 G HN 0.420 nan 8.290 nan 0.000 0.501 89 P HA -0.078 nan 4.420 nan 0.000 0.215 89 P C 1.287 178.584 177.300 -0.005 0.000 1.153 89 P CA 1.219 64.318 63.100 -0.003 0.000 0.853 89 P CB 0.137 31.836 31.700 -0.002 0.000 0.788 90 Q N -1.041 118.753 119.800 -0.010 0.000 2.282 90 Q HA 0.288 4.627 4.340 -0.003 0.000 0.205 90 Q C 1.073 177.068 176.000 -0.008 0.000 0.915 90 Q CA 0.502 56.300 55.803 -0.008 0.000 0.949 90 Q CB -0.455 28.277 28.738 -0.010 0.000 1.035 90 Q HN 0.221 nan 8.270 nan 0.000 0.484 91 G N 2.036 110.830 108.800 -0.011 0.000 2.184 91 G HA2 -0.295 3.664 3.960 -0.003 0.000 0.264 91 G HA3 -0.295 3.664 3.960 -0.003 0.000 0.264 91 G C 0.048 174.938 174.900 -0.017 0.000 0.975 91 G CA 0.335 45.428 45.100 -0.012 0.000 0.642 91 G HN 0.529 nan 8.290 nan 0.000 0.536 92 E N 0.442 120.631 120.200 -0.020 0.000 2.415 92 E HA 0.496 4.845 4.350 -0.003 0.000 0.263 92 E C 0.063 176.643 176.600 -0.033 0.000 0.995 92 E CA 0.329 56.717 56.400 -0.020 0.000 0.915 92 E CB 1.285 30.972 29.700 -0.022 0.000 0.951 92 E HN 1.201 nan 8.360 nan 0.000 0.449 93 A N 3.740 126.540 122.820 -0.033 0.000 2.287 93 A HA 0.531 4.849 4.320 -0.003 0.000 0.317 93 A C -0.710 176.839 177.584 -0.059 0.000 1.220 93 A CA -0.813 51.181 52.037 -0.072 0.000 0.835 93 A CB 1.190 20.129 19.000 -0.101 0.000 1.180 93 A HN 0.412 nan 8.150 nan 0.000 0.500 94 V N 2.765 122.650 119.914 -0.049 0.000 2.604 94 V HA 0.368 4.486 4.120 -0.003 0.000 0.305 94 V C -1.003 175.150 176.094 0.098 0.000 1.043 94 V CA -0.583 61.760 62.300 0.071 0.000 0.888 94 V CB 1.457 33.358 31.823 0.130 0.000 0.995 94 V HN 0.812 nan 8.190 nan 0.000 0.429 95 Y N 3.401 123.852 120.300 0.253 0.000 2.310 95 Y HA 0.530 5.078 4.550 -0.003 0.000 0.326 95 Y C -0.241 175.894 175.900 0.391 0.000 1.151 95 Y CA -0.210 58.058 58.100 0.280 0.000 1.195 95 Y CB 1.425 39.993 38.460 0.179 0.000 1.210 95 Y HN 0.626 nan 8.280 nan 0.000 0.483 96 F N 2.448 122.615 119.950 0.361 0.000 2.507 96 F HA 0.737 5.262 4.527 -0.003 0.000 0.328 96 F C -0.140 175.826 175.800 0.277 0.000 1.136 96 F CA -0.473 57.602 58.000 0.127 0.000 0.930 96 F CB 1.020 40.165 39.000 0.242 0.000 1.166 96 F HN 0.617 nan 8.300 nan 0.000 0.436 97 G N 3.594 112.465 108.800 0.118 0.000 2.949 97 G HA2 0.151 4.110 3.960 -0.003 0.000 0.285 97 G HA3 0.151 4.110 3.960 -0.003 0.000 0.285 97 G C -0.050 174.191 174.900 -1.098 0.000 1.395 97 G CA -0.465 44.441 45.100 -0.322 0.000 0.901 97 G HN 0.714 nan 8.290 nan 0.000 0.519 98 E N -0.933 118.312 120.200 -1.592 0.000 2.085 98 E HA -0.151 4.198 4.350 -0.003 0.000 0.194 98 E C 2.087 178.325 176.600 -0.604 0.000 0.994 98 E CA 1.862 57.404 56.400 -1.429 0.000 0.801 98 E CB -0.110 29.036 29.700 -0.924 0.000 0.743 98 E HN 0.399 nan 8.360 nan 0.000 0.453 99 T N -0.471 113.838 114.554 -0.407 0.000 2.821 99 T HA 0.122 4.470 4.350 -0.003 0.000 0.267 99 T C 0.567 175.200 174.700 -0.111 0.000 1.046 99 T CA 1.044 63.023 62.100 -0.201 0.000 1.139 99 T CB 0.113 68.890 68.868 -0.151 0.000 0.871 99 T HN 0.505 nan 8.240 nan 0.000 0.454 100 G N -0.588 108.147 108.800 -0.109 0.000 2.368 100 G HA2 0.345 4.304 3.960 -0.003 0.000 0.269 100 G HA3 0.345 4.304 3.960 -0.003 0.000 0.269 100 G C -1.852 172.988 174.900 -0.100 0.000 1.291 100 G CA -1.089 43.982 45.100 -0.048 0.000 0.903 100 G HN 0.143 nan 8.290 nan 0.000 0.483 101 F N 1.183 121.246 119.950 0.189 0.000 2.450 101 F HA 0.817 5.342 4.527 -0.003 0.000 0.332 101 F C 0.783 176.665 175.800 0.137 0.000 1.093 101 F CA 0.242 58.343 58.000 0.168 0.000 1.003 101 F CB 2.298 41.324 39.000 0.043 0.000 1.151 101 F HN 0.718 nan 8.300 nan 0.000 0.474 102 S N 1.123 117.032 115.700 0.349 0.000 2.595 102 S HA 0.654 5.122 4.470 -0.003 0.000 0.270 102 S C -0.122 174.654 174.600 0.294 0.000 1.145 102 S CA -0.069 58.279 58.200 0.247 0.000 0.825 102 S CB 1.056 64.353 63.200 0.162 0.000 1.107 102 S HN 0.796 nan 8.310 nan 0.000 0.461 103 A N 0.889 123.844 122.820 0.226 0.000 2.081 103 A HA 0.360 4.678 4.320 -0.003 0.000 0.214 103 A C 0.709 178.486 177.584 0.321 0.000 1.158 103 A CA 0.373 52.566 52.037 0.260 0.000 0.724 103 A CB -0.318 18.777 19.000 0.157 0.000 0.826 103 A HN 0.747 nan 8.150 nan 0.000 0.463 104 E N 0.046 120.346 120.200 0.167 0.000 2.146 104 E HA 0.240 4.588 4.350 -0.003 0.000 0.282 104 E C 0.749 177.227 176.600 -0.203 0.000 0.989 104 E CA -0.519 55.884 56.400 0.005 0.000 0.799 104 E CB 0.841 30.536 29.700 -0.009 0.000 1.088 104 E HN 0.365 nan 8.360 nan 0.000 0.397 105 R N 2.137 122.207 120.500 -0.717 0.000 2.103 105 R HA -0.186 4.152 4.340 -0.003 0.000 0.242 105 R C 1.902 177.955 176.300 -0.410 0.000 1.142 105 R CA 2.297 57.738 56.100 -1.098 0.000 0.960 105 R CB -0.050 29.515 30.300 -1.225 0.000 0.858 105 R HN 0.565 nan 8.270 nan 0.000 0.439 106 S N 0.694 116.233 115.700 -0.269 0.000 2.368 106 S HA -0.128 4.340 4.470 -0.003 0.000 0.225 106 S C 1.642 176.175 174.600 -0.110 0.000 1.030 106 S CA 1.168 59.273 58.200 -0.157 0.000 0.999 106 S CB -0.213 62.919 63.200 -0.114 0.000 0.844 106 S HN 0.378 nan 8.310 nan 0.000 0.459 107 K N 1.636 121.989 120.400 -0.079 0.000 2.439 107 K HA 0.254 4.572 4.320 -0.003 0.000 0.197 107 K C 2.064 178.650 176.600 -0.024 0.000 1.041 107 K CA 0.693 56.957 56.287 -0.038 0.000 0.970 107 K CB -0.303 32.195 32.500 -0.004 0.000 0.773 107 K HN 0.498 nan 8.250 nan 0.000 0.479 108 A N 1.644 124.451 122.820 -0.022 0.000 2.167 108 A HA 0.171 4.490 4.320 -0.003 0.000 0.214 108 A C 1.086 178.622 177.584 -0.080 0.000 1.151 108 A CA 0.885 52.932 52.037 0.016 0.000 0.735 108 A CB -0.489 18.586 19.000 0.125 0.000 0.802 108 A HN 0.401 nan 8.150 nan 0.000 0.467 109 G N -1.913 106.817 108.800 -0.117 0.000 2.698 109 G HA2 0.058 4.016 3.960 -0.003 0.000 0.233 109 G HA3 0.058 4.016 3.960 -0.003 0.000 0.233 109 G C -0.258 174.510 174.900 -0.221 0.000 1.352 109 G CA -0.006 44.985 45.100 -0.182 0.000 0.879 109 G HN 1.607 nan 8.290 nan 0.000 0.567 110 V N -0.153 119.580 119.914 -0.302 0.000 2.711 110 V HA 0.658 4.777 4.120 -0.003 0.000 0.304 110 V C -0.442 175.391 176.094 -0.436 0.000 1.097 110 V CA -1.030 61.085 62.300 -0.308 0.000 0.906 110 V CB 1.232 32.929 31.823 -0.210 0.000 1.015 110 V HN 0.994 nan 8.190 nan 0.000 0.427 111 F N 5.513 125.135 119.950 -0.547 0.000 2.418 111 F HA 0.581 5.106 4.527 -0.003 0.000 0.341 111 F C 0.714 176.078 175.800 -0.727 0.000 1.120 111 F CA 0.375 57.976 58.000 -0.664 0.000 1.232 111 F CB 1.243 39.689 39.000 -0.923 0.000 1.175 111 F HN 0.629 nan 8.300 nan 0.000 0.569 112 Q N 2.769 122.454 119.800 -0.192 0.000 2.309 112 Q HA 0.317 4.655 4.340 -0.003 0.000 0.273 112 Q C -2.162 173.921 176.000 0.139 0.000 1.040 112 Q CA -1.047 54.725 55.803 -0.051 0.000 0.834 112 Q CB 1.936 30.624 28.738 -0.083 0.000 1.345 112 Q HN 0.680 nan 8.270 nan 0.000 0.414 113 Y N 1.983 122.357 120.300 0.123 0.000 2.491 113 Y HA 0.486 5.034 4.550 -0.003 0.000 0.334 113 Y C 1.015 176.975 175.900 0.100 0.000 0.969 113 Y CA 0.120 58.301 58.100 0.136 0.000 1.241 113 Y CB 1.043 39.604 38.460 0.168 0.000 1.105 113 Y HN 0.991 nan 8.280 nan 0.000 0.503 114 A N 5.075 127.886 122.820 -0.015 0.000 1.881 114 A HA -0.231 4.087 4.320 -0.003 0.000 0.219 114 A C -0.259 177.443 177.584 0.197 0.000 1.215 114 A CA 2.156 54.221 52.037 0.047 0.000 0.648 114 A CB -0.595 18.404 19.000 -0.002 0.000 0.832 114 A HN 0.702 nan 8.150 nan 0.000 0.455 115 Y N -2.503 117.839 120.300 0.069 0.000 2.552 115 Y HA 0.557 5.105 4.550 -0.003 0.000 0.337 115 Y C -1.152 174.925 175.900 0.296 0.000 1.094 115 Y CA -1.454 56.766 58.100 0.200 0.000 1.028 115 Y CB 1.203 39.806 38.460 0.240 0.000 1.321 115 Y HN 0.151 nan 8.280 nan 0.000 0.456 116 I N 6.067 126.927 120.570 0.484 0.000 2.307 116 I HA 0.203 4.372 4.170 -0.003 0.000 0.289 116 I C -0.823 175.680 176.117 0.643 0.000 1.021 116 I CA -0.474 61.124 61.300 0.497 0.000 1.224 116 I CB 0.389 38.526 38.000 0.229 0.000 1.376 116 I HN 0.590 nan 8.210 nan 0.000 0.470 117 H N 4.533 123.826 119.070 0.373 0.000 2.473 117 H HA 0.240 4.794 4.556 -0.003 0.000 0.327 117 H C 0.862 176.296 175.328 0.175 0.000 1.105 117 H CA -0.503 55.696 56.048 0.252 0.000 1.280 117 H CB 1.320 31.153 29.762 0.118 0.000 1.450 117 H HN 0.420 nan 8.280 nan 0.000 0.492 118 R N 1.667 122.268 120.500 0.169 0.000 2.094 118 R HA -0.186 4.152 4.340 -0.003 0.000 0.239 118 R C 1.877 178.251 176.300 0.124 0.000 1.137 118 R CA 2.257 58.429 56.100 0.119 0.000 0.943 118 R CB -0.840 29.498 30.300 0.064 0.000 0.850 118 R HN 0.616 nan 8.270 nan 0.000 0.433 119 S N -0.555 115.220 115.700 0.125 0.000 2.500 119 S HA -0.074 4.394 4.470 -0.003 0.000 0.239 119 S C 1.049 175.706 174.600 0.095 0.000 0.989 119 S CA 1.211 59.469 58.200 0.097 0.000 0.951 119 S CB -0.218 63.035 63.200 0.088 0.000 0.759 119 S HN 0.624 nan 8.310 nan 0.000 0.523 120 E N 0.605 120.894 120.200 0.148 0.000 2.501 120 E HA 0.195 4.543 4.350 -0.003 0.000 0.200 120 E C -0.862 175.835 176.600 0.162 0.000 1.016 120 E CA -0.199 56.281 56.400 0.134 0.000 0.921 120 E CB 1.025 30.819 29.700 0.157 0.000 1.034 120 E HN 0.364 nan 8.360 nan 0.000 0.468 121 V N 2.577 122.587 119.914 0.159 0.000 2.389 121 V HA 0.050 4.169 4.120 -0.003 0.000 0.264 121 V C 0.134 176.343 176.094 0.191 0.000 1.049 121 V CA -0.555 61.853 62.300 0.181 0.000 0.932 121 V CB -0.448 31.465 31.823 0.150 0.000 1.011 121 V HN 0.153 nan 8.190 nan 0.000 0.475 122 F N 4.775 124.749 119.950 0.040 0.000 2.512 122 F HA 0.072 4.598 4.527 -0.003 0.000 0.406 122 F C 0.779 176.568 175.800 -0.019 0.000 0.990 122 F CA 0.769 58.763 58.000 -0.011 0.000 1.137 122 F CB -0.090 38.862 39.000 -0.080 0.000 0.960 122 F HN 0.516 nan 8.300 nan 0.000 0.533 123 T N 5.362 120.160 114.554 0.407 0.000 2.841 123 T HA 0.431 4.780 4.350 -0.003 0.000 0.285 123 T C -0.282 174.565 174.700 0.244 0.000 0.991 123 T CA -0.579 61.678 62.100 0.262 0.000 0.966 123 T CB 1.336 70.275 68.868 0.118 0.000 0.962 123 T HN 0.529 nan 8.240 nan 0.000 0.438 124 T N 4.620 119.266 114.554 0.153 0.000 2.918 124 T HA 0.538 4.886 4.350 -0.003 0.000 0.286 124 T C -2.510 172.165 174.700 -0.042 0.000 1.026 124 T CA -1.575 60.559 62.100 0.057 0.000 1.031 124 T CB 1.384 70.235 68.868 -0.028 0.000 1.046 124 T HN 0.229 nan 8.240 nan 0.000 0.479 125 P HA 0.140 nan 4.420 nan 0.000 0.264 125 P C 0.895 178.066 177.300 -0.215 0.000 1.193 125 P CA -0.057 62.945 63.100 -0.163 0.000 0.763 125 P CB 0.565 32.074 31.700 -0.318 0.000 0.810 126 E N 3.005 123.169 120.200 -0.061 0.000 2.097 126 E HA -0.190 4.158 4.350 -0.003 0.000 0.196 126 E C 1.845 178.436 176.600 -0.016 0.000 1.000 126 E CA 1.537 57.919 56.400 -0.029 0.000 0.804 126 E CB -0.434 29.286 29.700 0.034 0.000 0.740 126 E HN 0.715 nan 8.360 nan 0.000 0.454 127 W N 0.737 122.018 121.300 -0.032 0.000 2.363 127 W HA 0.044 4.703 4.660 -0.003 0.000 0.296 127 W C 1.847 178.344 176.519 -0.037 0.000 1.212 127 W CA 0.976 58.292 57.345 -0.047 0.000 1.260 127 W CB -0.957 28.474 29.460 -0.049 0.000 1.131 127 W HN -0.017 nan 8.180 nan 0.000 0.530 128 A N 1.644 123.933 122.820 -0.886 0.000 2.125 128 A HA -0.170 4.149 4.320 -0.003 0.000 0.219 128 A C 2.094 179.496 177.584 -0.304 0.000 1.156 128 A CA 1.732 53.266 52.037 -0.839 0.000 0.671 128 A CB -0.670 17.707 19.000 -1.038 0.000 0.794 128 A HN 0.406 nan 8.150 nan 0.000 0.459 129 K N -0.179 120.090 120.400 -0.219 0.000 2.097 129 K HA -0.128 4.191 4.320 -0.003 0.000 0.205 129 K C 0.913 177.451 176.600 -0.102 0.000 1.050 129 K CA 1.508 57.710 56.287 -0.142 0.000 0.938 129 K CB -0.030 32.401 32.500 -0.115 0.000 0.718 129 K HN 0.845 nan 8.250 nan 0.000 0.442 130 E N -0.218 119.936 120.200 -0.077 0.000 2.789 130 E HA 0.319 4.668 4.350 -0.003 0.000 0.208 130 E C -0.415 176.107 176.600 -0.130 0.000 0.988 130 E CA -0.483 55.854 56.400 -0.105 0.000 1.092 130 E CB 0.989 30.615 29.700 -0.124 0.000 1.066 130 E HN 0.066 nan 8.360 nan 0.000 0.465 131 A N 0.669 123.477 122.820 -0.019 0.000 2.242 131 A HA 0.653 4.971 4.320 -0.003 0.000 0.304 131 A C -0.296 177.304 177.584 0.026 0.000 1.100 131 A CA -0.581 51.490 52.037 0.057 0.000 0.860 131 A CB 1.261 20.449 19.000 0.314 0.000 1.168 131 A HN 0.122 nan 8.150 nan 0.000 0.503 132 V N 1.731 121.680 119.914 0.059 0.000 2.524 132 V HA 0.275 4.393 4.120 -0.003 0.000 0.297 132 V C -0.872 175.209 176.094 -0.021 0.000 1.035 132 V CA -0.424 61.890 62.300 0.024 0.000 0.867 132 V CB 1.335 33.225 31.823 0.113 0.000 1.004 132 V HN 0.658 nan 8.190 nan 0.000 0.426 133 I N 4.308 124.769 120.570 -0.182 0.000 2.396 133 I HA 0.345 4.513 4.170 -0.003 0.000 0.292 133 I C -0.555 175.485 176.117 -0.129 0.000 0.999 133 I CA -0.473 60.672 61.300 -0.258 0.000 1.310 133 I CB 1.156 38.664 38.000 -0.819 0.000 1.404 133 I HN 0.668 nan 8.210 nan 0.000 0.496 134 Y N 5.632 125.826 120.300 -0.177 0.000 2.356 134 Y HA 0.258 4.806 4.550 -0.003 0.000 0.334 134 Y C 0.368 176.183 175.900 -0.143 0.000 0.958 134 Y CA -0.471 57.559 58.100 -0.116 0.000 1.196 134 Y CB 0.984 39.381 38.460 -0.106 0.000 1.137 134 Y HN 0.569 nan 8.280 nan 0.000 0.485 135 Q N 6.709 126.358 119.800 -0.252 0.000 2.288 135 Q HA 0.380 4.719 4.340 -0.003 0.000 0.258 135 Q C -1.264 174.623 176.000 -0.189 0.000 0.957 135 Q CA -0.162 55.576 55.803 -0.109 0.000 0.919 135 Q CB 0.626 29.504 28.738 0.233 0.000 1.185 135 Q HN 0.786 nan 8.270 nan 0.000 0.408 136 I N 4.707 125.101 120.570 -0.294 0.000 2.362 136 I HA 0.221 4.389 4.170 -0.003 0.000 0.289 136 I C -0.852 175.179 176.117 -0.144 0.000 0.994 136 I CA -0.669 60.483 61.300 -0.246 0.000 1.158 136 I CB 1.142 38.963 38.000 -0.298 0.000 1.315 136 I HN 0.656 nan 8.210 nan 0.000 0.451 137 F N 9.614 129.325 119.950 -0.399 0.000 2.329 137 F HA 0.336 4.862 4.527 -0.002 0.000 0.362 137 F C -1.256 174.428 175.800 -0.193 0.000 1.113 137 F CA -1.910 55.931 58.000 -0.266 0.000 1.212 137 F CB 0.790 39.674 39.000 -0.194 0.000 1.509 137 F HN 0.369 nan 8.300 nan 0.000 0.546 138 P HA -0.315 nan 4.420 nan 0.000 0.220 138 P C 1.344 178.661 177.300 0.028 0.000 1.155 138 P CA 1.541 64.466 63.100 -0.291 0.000 0.880 138 P CB 0.293 31.391 31.700 -1.004 0.000 0.790 139 E N -0.530 119.794 120.200 0.206 0.000 2.267 139 E HA -0.155 4.194 4.350 -0.003 0.000 0.197 139 E C 1.668 178.517 176.600 0.415 0.000 0.998 139 E CA 0.877 57.568 56.400 0.485 0.000 0.830 139 E CB -0.050 29.861 29.700 0.352 0.000 0.751 139 E HN 0.248 nan 8.360 nan 0.000 0.491 140 R N -1.522 119.148 120.500 0.284 0.000 2.508 140 R HA 0.113 4.451 4.340 -0.003 0.000 0.300 140 R C 1.559 177.921 176.300 0.103 0.000 0.970 140 R CA -0.201 55.968 56.100 0.115 0.000 1.102 140 R CB -0.200 30.182 30.300 0.137 0.000 1.246 140 R HN 0.148 nan 8.270 nan 0.000 0.539 141 F N 1.016 121.029 119.950 0.104 0.000 2.222 141 F HA 0.365 4.890 4.527 -0.003 0.000 0.285 141 F C 0.218 176.372 175.800 0.591 0.000 1.068 141 F CA 0.432 58.531 58.000 0.164 0.000 1.265 141 F CB 0.503 39.532 39.000 0.049 0.000 1.087 141 F HN -0.094 nan 8.300 nan 0.000 0.511 142 A N 0.627 123.740 122.820 0.487 0.000 2.491 142 A HA 0.258 4.576 4.320 -0.003 0.000 0.293 142 A C -1.344 176.253 177.584 0.021 0.000 1.047 142 A CA -0.619 51.510 52.037 0.154 0.000 0.735 142 A CB 0.131 19.198 19.000 0.112 0.000 1.281 142 A HN 0.328 nan 8.150 nan 0.000 0.398 143 N N 2.095 120.587 118.700 -0.346 0.000 2.719 143 N HA 0.313 5.051 4.740 -0.003 0.000 0.243 143 N C 1.234 176.645 175.510 -0.165 0.000 1.104 143 N CA 0.348 53.289 53.050 -0.183 0.000 0.981 143 N CB 0.495 38.803 38.487 -0.299 0.000 1.290 143 N HN 0.796 nan 8.380 nan 0.000 0.513 144 G N 1.188 109.949 108.800 -0.065 0.000 2.511 144 G HA2 -0.129 3.830 3.960 -0.003 0.000 0.217 144 G HA3 -0.129 3.830 3.960 -0.003 0.000 0.217 144 G C 0.164 175.032 174.900 -0.054 0.000 1.133 144 G CA 0.381 45.437 45.100 -0.074 0.000 0.792 144 G HN 0.511 nan 8.290 nan 0.000 0.539 145 D N -1.121 119.268 120.400 -0.018 0.000 2.686 145 D HA 0.308 4.947 4.640 -0.003 0.000 0.249 145 D C -1.791 174.512 176.300 0.005 0.000 1.260 145 D CA -2.143 51.853 54.000 -0.007 0.000 0.910 145 D CB 2.552 43.360 40.800 0.013 0.000 1.323 145 D HN -0.100 nan 8.370 nan 0.000 0.561 146 P HA -0.039 nan 4.420 nan 0.000 0.229 146 P C 0.668 177.973 177.300 0.008 0.000 1.160 146 P CA 0.339 63.441 63.100 0.003 0.000 0.777 146 P CB 0.354 32.048 31.700 -0.010 0.000 0.814 147 S N 0.587 116.291 115.700 0.006 0.000 2.555 147 S HA -0.054 4.414 4.470 -0.003 0.000 0.230 147 S C 1.613 176.219 174.600 0.010 0.000 0.978 147 S CA 0.820 59.023 58.200 0.006 0.000 0.934 147 S CB -0.935 62.268 63.200 0.005 0.000 0.766 147 S HN 0.512 nan 8.310 nan 0.000 0.533 148 N N 0.397 119.111 118.700 0.023 0.000 2.322 148 N HA 0.012 4.750 4.740 -0.003 0.000 0.181 148 N C -1.084 174.434 175.510 0.012 0.000 1.088 148 N CA -0.162 52.904 53.050 0.027 0.000 0.885 148 N CB -0.184 38.342 38.487 0.066 0.000 1.013 148 N HN 0.063 nan 8.380 nan 0.000 0.472 149 D N 4.438 124.853 120.400 0.024 0.000 2.570 149 D HA 0.054 4.692 4.640 -0.003 0.000 0.243 149 D C -1.746 174.521 176.300 -0.055 0.000 1.171 149 D CA -0.265 53.746 54.000 0.019 0.000 0.879 149 D CB 0.586 41.408 40.800 0.036 0.000 1.143 149 D HN 0.352 nan 8.370 nan 0.000 0.511 150 P HA 0.182 nan 4.420 nan 0.000 0.274 150 P C -2.588 174.558 177.300 -0.255 0.000 1.246 150 P CA -1.322 61.598 63.100 -0.300 0.000 0.795 150 P CB -0.067 31.232 31.700 -0.669 0.000 1.006 151 P HA 0.091 nan 4.420 nan 0.000 0.271 151 P C 0.639 177.859 177.300 -0.132 0.000 1.233 151 P CA 0.672 63.681 63.100 -0.152 0.000 0.764 151 P CB -0.014 31.612 31.700 -0.123 0.000 0.825 152 G N 1.787 110.553 108.800 -0.057 0.000 2.154 152 G HA2 -0.171 3.787 3.960 -0.003 0.000 0.186 152 G HA3 -0.171 3.787 3.960 -0.003 0.000 0.186 152 G C 0.240 175.142 174.900 0.003 0.000 1.000 152 G CA -0.397 44.700 45.100 -0.005 0.000 0.664 152 G HN 0.599 nan 8.290 nan 0.000 0.513 153 T N 1.890 116.436 114.554 -0.013 0.000 2.867 153 T HA 0.370 4.719 4.350 -0.003 0.000 0.297 153 T C 0.777 175.439 174.700 -0.064 0.000 0.989 153 T CA 0.714 62.806 62.100 -0.012 0.000 1.159 153 T CB 0.602 69.490 68.868 0.034 0.000 0.928 153 T HN 0.494 nan 8.240 nan 0.000 0.538 154 E N 2.270 122.335 120.200 -0.224 0.000 2.330 154 E HA 0.297 4.646 4.350 -0.003 0.000 0.256 154 E C -0.175 176.407 176.600 -0.031 0.000 1.146 154 E CA -0.957 55.303 56.400 -0.233 0.000 0.945 154 E CB 0.588 29.991 29.700 -0.496 0.000 1.182 154 E HN 0.364 nan 8.360 nan 0.000 0.480 155 Q N 0.918 120.779 119.800 0.101 0.000 2.288 155 Q HA 0.025 4.364 4.340 -0.003 0.000 0.254 155 Q C -1.489 174.784 176.000 0.456 0.000 0.932 155 Q CA -0.149 55.801 55.803 0.245 0.000 0.902 155 Q CB 0.563 29.401 28.738 0.167 0.000 1.203 155 Q HN 0.472 nan 8.270 nan 0.000 0.415 156 W N 5.573 127.029 121.300 0.259 0.000 2.365 156 W HA 0.591 5.249 4.660 -0.002 0.000 0.371 156 W C -1.347 175.237 176.519 0.108 0.000 1.006 156 W CA -0.211 57.268 57.345 0.224 0.000 1.528 156 W CB -0.239 29.334 29.460 0.189 0.000 1.497 156 W HN 0.707 nan 8.180 nan 0.000 0.367 157 A N 4.216 127.102 122.820 0.109 0.000 2.532 157 A HA 0.350 4.669 4.320 -0.003 0.000 0.290 157 A C 0.807 178.352 177.584 -0.066 0.000 1.143 157 A CA -0.636 51.441 52.037 0.067 0.000 0.728 157 A CB 1.704 20.757 19.000 0.089 0.000 1.317 157 A HN 0.502 nan 8.150 nan 0.000 0.414 158 K N -0.301 120.075 120.400 -0.041 0.000 2.148 158 K HA -0.132 4.186 4.320 -0.003 0.000 0.204 158 K C 0.204 176.755 176.600 -0.082 0.000 1.050 158 K CA 2.215 58.450 56.287 -0.086 0.000 0.942 158 K CB -0.139 32.328 32.500 -0.055 0.000 0.724 158 K HN 0.742 nan 8.250 nan 0.000 0.446 159 D N 0.132 120.508 120.400 -0.040 0.000 2.358 159 D HA 0.142 4.781 4.640 -0.003 0.000 0.224 159 D C -0.252 176.043 176.300 -0.010 0.000 1.123 159 D CA -0.226 53.758 54.000 -0.026 0.000 0.833 159 D CB 0.651 41.447 40.800 -0.006 0.000 0.946 159 D HN 0.229 nan 8.370 nan 0.000 0.505 160 A N 1.007 123.819 122.820 -0.014 0.000 2.363 160 A HA 0.524 4.843 4.320 -0.003 0.000 0.270 160 A C 0.199 177.790 177.584 0.011 0.000 1.121 160 A CA -0.686 51.379 52.037 0.046 0.000 0.800 160 A CB 0.504 19.595 19.000 0.152 0.000 1.052 160 A HN 0.015 nan 8.150 nan 0.000 0.493 161 R N 2.579 123.107 120.500 0.047 0.000 2.335 161 R HA 0.337 4.675 4.340 -0.003 0.000 0.302 161 R C -2.893 173.442 176.300 0.059 0.000 1.147 161 R CA -2.163 53.952 56.100 0.025 0.000 1.111 161 R CB 0.282 30.592 30.300 0.016 0.000 1.122 161 R HN 0.486 nan 8.270 nan 0.000 0.557 162 P HA -0.057 nan 4.420 nan 0.000 0.264 162 P C -0.255 177.069 177.300 0.039 0.000 1.173 162 P CA 0.316 63.468 63.100 0.087 0.000 0.761 162 P CB 0.594 32.315 31.700 0.034 0.000 0.794 163 R N 1.325 121.842 120.500 0.028 0.000 2.643 163 R HA 0.314 4.652 4.340 -0.003 0.000 0.272 163 R C 1.143 177.447 176.300 0.006 0.000 0.995 163 R CA -0.550 55.579 56.100 0.048 0.000 1.032 163 R CB -0.161 30.168 30.300 0.048 0.000 1.126 163 R HN 0.478 nan 8.270 nan 0.000 0.505 164 H N 0.155 119.229 119.070 0.007 0.000 2.457 164 H HA -0.136 4.418 4.556 -0.003 0.000 0.297 164 H C 0.271 175.567 175.328 -0.053 0.000 1.092 164 H CA 2.235 58.298 56.048 0.026 0.000 1.309 164 H CB 0.115 29.940 29.762 0.105 0.000 1.382 164 H HN 0.662 nan 8.280 nan 0.000 0.535 165 D N -1.611 118.808 120.400 0.032 0.000 2.388 165 D HA 0.099 4.738 4.640 -0.003 0.000 0.221 165 D C 0.165 176.359 176.300 -0.177 0.000 1.133 165 D CA -0.247 53.737 54.000 -0.026 0.000 0.831 165 D CB 0.166 41.032 40.800 0.111 0.000 0.962 165 D HN -0.019 nan 8.370 nan 0.000 0.502 166 S N -0.214 115.316 115.700 -0.282 0.000 2.608 166 S HA 0.497 4.966 4.470 -0.003 0.000 0.261 166 S C -0.414 173.898 174.600 -0.480 0.000 1.314 166 S CA -0.132 57.925 58.200 -0.238 0.000 0.992 166 S CB 0.358 63.487 63.200 -0.117 0.000 0.935 166 S HN 0.236 nan 8.310 nan 0.000 0.564 167 F N -0.343 119.531 119.950 -0.126 0.000 2.615 167 F HA 0.347 4.873 4.527 -0.003 0.000 0.312 167 F C -0.538 175.179 175.800 -0.138 0.000 1.119 167 F CA -0.550 57.443 58.000 -0.011 0.000 0.979 167 F CB 1.413 40.408 39.000 -0.010 0.000 1.266 167 F HN 0.549 nan 8.300 nan 0.000 0.444 168 Y N 0.386 120.885 120.300 0.332 0.000 2.527 168 Y HA 0.340 4.888 4.550 -0.003 0.000 0.247 168 Y C 1.459 177.664 175.900 0.507 0.000 1.138 168 Y CA 0.120 58.442 58.100 0.370 0.000 1.228 168 Y CB 1.353 39.940 38.460 0.213 0.000 1.252 168 Y HN 0.841 nan 8.280 nan 0.000 0.531 169 G N 0.636 109.747 108.800 0.518 0.000 2.155 169 G HA2 -0.277 3.681 3.960 -0.003 0.000 0.257 169 G HA3 -0.277 3.681 3.960 -0.003 0.000 0.257 169 G C 0.798 175.953 174.900 0.424 0.000 0.983 169 G CA 0.024 45.359 45.100 0.391 0.000 0.676 169 G HN 0.703 nan 8.290 nan 0.000 0.528 170 G N 0.140 109.298 108.800 0.597 0.000 2.391 170 G HA2 0.513 4.471 3.960 -0.003 0.000 0.234 170 G HA3 0.513 4.471 3.960 -0.003 0.000 0.234 170 G C 0.063 175.248 174.900 0.475 0.000 1.284 170 G CA 0.874 46.291 45.100 0.528 0.000 0.873 170 G HN 1.142 nan 8.290 nan 0.000 0.549 171 D N 0.050 120.620 120.400 0.283 0.000 2.596 171 D HA 0.243 4.882 4.640 -0.003 0.000 0.262 171 D C 1.176 177.488 176.300 0.020 0.000 1.210 171 D CA -0.969 53.170 54.000 0.233 0.000 0.873 171 D CB 0.686 41.626 40.800 0.234 0.000 1.408 171 D HN 0.176 nan 8.370 nan 0.000 0.441 172 L N -0.701 120.486 121.223 -0.060 0.000 2.131 172 L HA -0.110 4.228 4.340 -0.003 0.000 0.210 172 L C 2.191 179.046 176.870 -0.024 0.000 1.092 172 L CA 1.205 55.976 54.840 -0.115 0.000 0.759 172 L CB -0.509 41.489 42.059 -0.102 0.000 0.903 172 L HN 0.484 nan 8.230 nan 0.000 0.435 173 K N 1.063 121.474 120.400 0.017 0.000 2.147 173 K HA -0.110 4.209 4.320 -0.003 0.000 0.205 173 K C 1.898 178.507 176.600 0.015 0.000 1.049 173 K CA 1.588 57.882 56.287 0.012 0.000 0.936 173 K CB -0.695 31.814 32.500 0.016 0.000 0.722 173 K HN 0.182 nan 8.250 nan 0.000 0.446 174 G N 0.143 108.968 108.800 0.041 0.000 2.421 174 G HA2 -0.193 3.765 3.960 -0.003 0.000 0.216 174 G HA3 -0.193 3.765 3.960 -0.003 0.000 0.216 174 G C 1.564 176.566 174.900 0.170 0.000 1.171 174 G CA 0.970 46.106 45.100 0.061 0.000 0.775 174 G HN 0.194 nan 8.290 nan 0.000 0.543 175 V N 1.284 121.342 119.914 0.240 0.000 2.295 175 V HA -0.177 3.942 4.120 -0.003 0.000 0.246 175 V C 2.832 179.035 176.094 0.182 0.000 1.049 175 V CA 1.676 64.170 62.300 0.324 0.000 1.024 175 V CB -0.408 31.511 31.823 0.159 0.000 0.648 175 V HN 0.409 nan 8.190 nan 0.000 0.447 176 I N 0.065 120.675 120.570 0.066 0.000 2.151 176 I HA -0.291 3.877 4.170 -0.003 0.000 0.243 176 I C 2.289 178.420 176.117 0.024 0.000 1.080 176 I CA 1.814 63.126 61.300 0.020 0.000 1.339 176 I CB -0.632 37.357 38.000 -0.019 0.000 1.039 176 I HN 0.346 nan 8.210 nan 0.000 0.409 177 D N 0.610 121.016 120.400 0.009 0.000 2.182 177 D HA -0.149 4.490 4.640 -0.003 0.000 0.201 177 D C 1.963 178.227 176.300 -0.061 0.000 0.986 177 D CA 1.065 55.037 54.000 -0.046 0.000 0.847 177 D CB -0.160 40.579 40.800 -0.101 0.000 0.942 177 D HN 0.209 nan 8.370 nan 0.000 0.467 178 R N 0.195 120.711 120.500 0.027 0.000 2.393 178 R HA 0.219 4.558 4.340 -0.003 0.000 0.244 178 R C 2.130 178.541 176.300 0.184 0.000 0.920 178 R CA -0.226 55.898 56.100 0.040 0.000 1.076 178 R CB -0.385 29.963 30.300 0.080 0.000 1.119 178 R HN 0.284 nan 8.270 nan 0.000 0.524 179 L N 0.913 122.213 121.223 0.128 0.000 2.081 179 L HA -0.167 4.171 4.340 -0.003 0.000 0.212 179 L C -0.676 176.246 176.870 0.087 0.000 1.080 179 L CA 1.743 56.642 54.840 0.098 0.000 0.754 179 L CB -1.423 40.661 42.059 0.041 0.000 0.893 179 L HN 0.056 nan 8.230 nan 0.000 0.433 180 P HA -0.241 nan 4.420 nan 0.000 0.216 180 P C 1.351 178.715 177.300 0.106 0.000 1.150 180 P CA 1.375 64.510 63.100 0.057 0.000 0.843 180 P CB -0.060 31.659 31.700 0.031 0.000 0.787 181 Y N 0.400 120.718 120.300 0.030 0.000 2.070 181 Y HA -0.214 4.334 4.550 -0.003 0.000 0.280 181 Y C 2.070 178.049 175.900 0.133 0.000 1.148 181 Y CA 1.622 59.778 58.100 0.093 0.000 1.125 181 Y CB -1.125 37.413 38.460 0.130 0.000 0.975 181 Y HN -0.218 nan 8.280 nan 0.000 0.492 182 L N 0.104 121.407 121.223 0.134 0.000 2.083 182 L HA -0.226 4.112 4.340 -0.003 0.000 0.209 182 L C 2.554 179.380 176.870 -0.074 0.000 1.083 182 L CA 1.914 56.718 54.840 -0.060 0.000 0.752 182 L CB -0.620 41.387 42.059 -0.086 0.000 0.899 182 L HN 0.344 nan 8.230 nan 0.000 0.433 183 E N 0.327 120.511 120.200 -0.025 0.000 2.106 183 E HA -0.286 4.062 4.350 -0.003 0.000 0.192 183 E C 2.066 178.642 176.600 -0.040 0.000 0.984 183 E CA 1.328 57.711 56.400 -0.028 0.000 0.806 183 E CB 0.136 29.830 29.700 -0.010 0.000 0.750 183 E HN 0.488 nan 8.360 nan 0.000 0.458 184 E N 0.263 120.443 120.200 -0.032 0.000 2.051 184 E HA -0.225 4.123 4.350 -0.003 0.000 0.192 184 E C 2.197 178.736 176.600 -0.102 0.000 0.991 184 E CA 1.120 57.505 56.400 -0.024 0.000 0.799 184 E CB -0.215 29.520 29.700 0.058 0.000 0.748 184 E HN 0.255 nan 8.360 nan 0.000 0.449 185 L N 0.039 121.182 121.223 -0.134 0.000 2.043 185 L HA -0.063 4.275 4.340 -0.003 0.000 0.212 185 L C 1.658 178.406 176.870 -0.203 0.000 1.075 185 L CA 2.611 57.298 54.840 -0.256 0.000 0.752 185 L CB -0.387 41.583 42.059 -0.149 0.000 0.891 185 L HN 0.449 nan 8.230 nan 0.000 0.432 186 G N -1.780 106.948 108.800 -0.119 0.000 2.159 186 G HA2 -0.154 3.804 3.960 -0.003 0.000 0.170 186 G HA3 -0.154 3.804 3.960 -0.003 0.000 0.170 186 G C 0.218 175.121 174.900 0.006 0.000 1.007 186 G CA 0.052 45.103 45.100 -0.082 0.000 0.672 186 G HN 0.850 nan 8.290 nan 0.000 0.507 187 V N -0.176 119.734 119.914 -0.006 0.000 2.740 187 V HA 0.656 4.774 4.120 -0.003 0.000 0.303 187 V C 1.349 177.461 176.094 0.030 0.000 1.054 187 V CA 1.180 63.500 62.300 0.033 0.000 1.106 187 V CB 1.069 32.894 31.823 0.003 0.000 0.957 187 V HN 0.899 nan 8.190 nan 0.000 0.486 188 T N 0.129 114.714 114.554 0.051 0.000 3.022 188 T HA 0.684 5.032 4.350 -0.003 0.000 0.250 188 T C 0.470 175.144 174.700 -0.043 0.000 1.060 188 T CA 0.431 62.538 62.100 0.011 0.000 1.013 188 T CB 0.224 69.111 68.868 0.031 0.000 0.982 188 T HN 1.695 nan 8.240 nan 0.000 0.508 189 A N 0.696 123.510 122.820 -0.009 0.000 2.606 189 A HA 0.710 5.028 4.320 -0.003 0.000 0.293 189 A C -2.124 175.427 177.584 -0.055 0.000 1.082 189 A CA -0.793 51.225 52.037 -0.031 0.000 0.685 189 A CB 1.253 20.335 19.000 0.136 0.000 1.284 189 A HN 0.175 nan 8.150 nan 0.000 0.408 190 L N 1.593 122.743 121.223 -0.123 0.000 2.349 190 L HA 0.482 4.821 4.340 -0.003 0.000 0.278 190 L C -1.142 175.515 176.870 -0.355 0.000 0.996 190 L CA -0.423 54.216 54.840 -0.335 0.000 0.825 190 L CB 1.247 42.939 42.059 -0.612 0.000 1.243 190 L HN 0.712 nan 8.230 nan 0.000 0.412 191 Y N 5.012 125.069 120.300 -0.404 0.000 2.385 191 Y HA 0.593 5.142 4.550 -0.003 0.000 0.341 191 Y C -1.395 174.335 175.900 -0.284 0.000 0.965 191 Y CA -1.499 56.489 58.100 -0.187 0.000 1.180 191 Y CB 0.579 39.050 38.460 0.018 0.000 1.139 191 Y HN 0.358 nan 8.280 nan 0.000 0.502 192 F N 4.257 124.028 119.950 -0.299 0.000 2.420 192 F HA 0.383 4.908 4.527 -0.003 0.000 0.342 192 F C 1.003 176.441 175.800 -0.604 0.000 1.113 192 F CA -0.724 56.976 58.000 -0.499 0.000 1.059 192 F CB 1.243 40.044 39.000 -0.331 0.000 1.128 192 F HN 0.577 nan 8.300 nan 0.000 0.475 193 T N 1.142 115.416 114.554 -0.468 0.000 2.640 193 T HA 0.212 4.561 4.350 -0.003 0.000 0.316 193 T C -2.501 171.949 174.700 -0.415 0.000 1.036 193 T CA -1.533 60.351 62.100 -0.360 0.000 1.009 193 T CB 0.147 68.832 68.868 -0.304 0.000 1.017 193 T HN 0.337 nan 8.240 nan 0.000 0.530 194 P HA 0.079 nan 4.420 nan 0.000 0.264 194 P C 0.092 177.088 177.300 -0.507 0.000 1.183 194 P CA -0.053 62.648 63.100 -0.666 0.000 0.763 194 P CB 0.160 31.376 31.700 -0.806 0.000 0.807 195 I N 0.578 120.788 120.570 -0.600 0.000 2.979 195 I HA 0.404 4.572 4.170 -0.003 0.000 0.337 195 I C -1.242 174.828 176.117 -0.078 0.000 1.453 195 I CA -0.886 60.270 61.300 -0.241 0.000 0.891 195 I CB -1.104 36.610 38.000 -0.476 0.000 1.887 195 I HN 0.049 nan 8.210 nan 0.000 0.546 196 F N 1.704 121.603 119.950 -0.086 0.000 2.507 196 F HA 0.761 5.286 4.527 -0.003 0.000 0.327 196 F C 1.234 177.011 175.800 -0.039 0.000 1.068 196 F CA -1.466 56.495 58.000 -0.064 0.000 0.965 196 F CB 2.038 40.968 39.000 -0.117 0.000 1.192 196 F HN 0.259 nan 8.300 nan 0.000 0.476 197 A N 2.387 125.333 122.820 0.211 0.000 2.572 197 A HA 0.278 4.596 4.320 -0.003 0.000 0.256 197 A C -0.165 177.460 177.584 0.068 0.000 1.041 197 A CA 0.722 52.820 52.037 0.101 0.000 0.790 197 A CB -0.455 18.607 19.000 0.103 0.000 0.947 197 A HN 0.596 nan 8.150 nan 0.000 0.518 198 S N 3.136 118.841 115.700 0.008 0.000 2.535 198 S HA 0.585 5.053 4.470 -0.003 0.000 0.272 198 S C -2.212 172.383 174.600 -0.009 0.000 1.149 198 S CA -0.447 57.756 58.200 0.005 0.000 0.888 198 S CB 2.055 65.235 63.200 -0.033 0.000 1.110 198 S HN 0.611 nan 8.310 nan 0.000 0.463 199 P HA 0.012 nan 4.420 nan 0.000 0.234 199 P C 0.222 177.612 177.300 0.151 0.000 1.167 199 P CA 0.396 63.539 63.100 0.071 0.000 0.763 199 P CB -0.040 31.714 31.700 0.090 0.000 0.835 200 S N -0.561 115.163 115.700 0.040 0.000 2.739 200 S HA 0.264 4.732 4.470 -0.003 0.000 0.306 200 S C 1.514 176.047 174.600 -0.111 0.000 1.115 200 S CA -0.616 57.564 58.200 -0.032 0.000 0.985 200 S CB 0.338 63.275 63.200 -0.438 0.000 1.133 200 S HN 0.178 nan 8.310 nan 0.000 0.541 201 H N 0.656 119.482 119.070 -0.407 0.000 2.363 201 H HA -0.040 4.514 4.556 -0.003 0.000 0.301 201 H C 0.498 175.701 175.328 -0.208 0.000 1.074 201 H CA 1.516 57.364 56.048 -0.332 0.000 1.354 201 H CB -1.340 28.189 29.762 -0.389 0.000 1.397 201 H HN 0.928 nan 8.280 nan 0.000 0.516 202 H N 0.177 118.833 119.070 -0.690 0.000 2.668 202 H HA 0.455 5.009 4.556 -0.003 0.000 0.303 202 H C -0.457 174.776 175.328 -0.157 0.000 1.074 202 H CA -0.950 54.885 56.048 -0.356 0.000 1.406 202 H CB 0.767 30.497 29.762 -0.055 0.000 1.442 202 H HN -0.117 nan 8.280 nan 0.000 0.482 203 K N 4.009 124.284 120.400 -0.208 0.000 3.192 203 K HA 0.100 4.418 4.320 -0.003 0.000 0.269 203 K C -0.535 175.974 176.600 -0.153 0.000 1.270 203 K CA -0.006 56.174 56.287 -0.179 0.000 1.249 203 K CB -0.677 31.730 32.500 -0.155 0.000 1.528 203 K HN 0.699 nan 8.250 nan 0.000 0.360 204 Y N -0.014 120.380 120.300 0.157 0.000 2.517 204 Y HA -0.019 4.529 4.550 -0.002 0.000 0.281 204 Y C 0.036 175.973 175.900 0.063 0.000 1.125 204 Y CA -0.023 58.139 58.100 0.105 0.000 1.283 204 Y CB 0.259 38.809 38.460 0.151 0.000 1.042 204 Y HN 0.250 nan 8.280 nan 0.000 0.547 205 D N -0.259 120.290 120.400 0.249 0.000 2.638 205 D HA 0.099 4.737 4.640 -0.003 0.000 0.245 205 D C -0.241 176.116 176.300 0.095 0.000 1.176 205 D CA -0.451 53.664 54.000 0.191 0.000 0.996 205 D CB -0.541 40.397 40.800 0.229 0.000 1.012 205 D HN -0.012 nan 8.370 nan 0.000 0.515 206 T N -1.602 112.951 114.554 -0.002 0.000 2.822 206 T HA 0.300 4.648 4.350 -0.003 0.000 0.288 206 T C 1.208 175.980 174.700 0.121 0.000 0.991 206 T CA -0.346 61.695 62.100 -0.099 0.000 1.176 206 T CB 1.541 70.030 68.868 -0.631 0.000 0.951 206 T HN 0.390 nan 8.240 nan 0.000 0.526 207 A N 2.318 125.241 122.820 0.172 0.000 2.014 207 A HA 0.270 4.588 4.320 -0.003 0.000 0.210 207 A C 0.899 178.729 177.584 0.409 0.000 1.188 207 A CA 0.227 52.440 52.037 0.293 0.000 0.731 207 A CB 0.221 19.335 19.000 0.190 0.000 0.858 207 A HN 0.782 nan 8.150 nan 0.000 0.464 208 D N -2.023 118.568 120.400 0.319 0.000 2.478 208 D HA 0.352 4.991 4.640 -0.003 0.000 0.240 208 D C -0.600 175.845 176.300 0.240 0.000 1.364 208 D CA -0.537 53.676 54.000 0.356 0.000 0.987 208 D CB 0.438 41.357 40.800 0.198 0.000 1.328 208 D HN 0.084 nan 8.370 nan 0.000 0.584 209 Y N 2.029 122.447 120.300 0.198 0.000 2.509 209 Y HA 0.135 4.683 4.550 -0.003 0.000 0.293 209 Y C 1.580 177.323 175.900 -0.263 0.000 1.133 209 Y CA 0.701 58.789 58.100 -0.020 0.000 1.283 209 Y CB 0.156 38.691 38.460 0.125 0.000 1.001 209 Y HN 0.410 nan 8.280 nan 0.000 0.555 210 L N -0.124 121.076 121.223 -0.038 0.000 3.034 210 L HA 0.548 4.886 4.340 -0.003 0.000 0.245 210 L C 0.031 176.751 176.870 -0.250 0.000 1.295 210 L CA -0.339 54.304 54.840 -0.329 0.000 1.068 210 L CB -0.189 41.617 42.059 -0.421 0.000 1.426 210 L HN 0.004 nan 8.230 nan 0.000 0.531 211 A N 0.220 123.011 122.820 -0.048 0.000 2.532 211 A HA 0.597 4.915 4.320 -0.003 0.000 0.296 211 A C -0.788 176.921 177.584 0.208 0.000 1.058 211 A CA -0.594 51.489 52.037 0.077 0.000 0.729 211 A CB 0.887 19.912 19.000 0.041 0.000 1.285 211 A HN 0.056 nan 8.150 nan 0.000 0.396 212 I N 2.148 122.885 120.570 0.279 0.000 2.752 212 I HA 0.030 4.199 4.170 -0.003 0.000 0.287 212 I C 0.922 177.166 176.117 0.212 0.000 1.188 212 I CA 0.304 61.765 61.300 0.268 0.000 1.427 212 I CB 0.377 38.506 38.000 0.215 0.000 1.365 212 I HN 0.629 nan 8.210 nan 0.000 0.585 213 D N 8.064 128.603 120.400 0.230 0.000 2.493 213 D HA -0.018 4.621 4.640 -0.003 0.000 0.240 213 D C -1.709 174.646 176.300 0.091 0.000 1.142 213 D CA -1.113 52.955 54.000 0.113 0.000 0.872 213 D CB 1.357 42.151 40.800 -0.011 0.000 1.173 213 D HN 0.240 nan 8.370 nan 0.000 0.467 214 P HA -0.193 nan 4.420 nan 0.000 0.216 214 P C 1.211 178.526 177.300 0.024 0.000 1.153 214 P CA 1.602 64.723 63.100 0.035 0.000 0.858 214 P CB -0.009 31.696 31.700 0.008 0.000 0.789 215 Q N -2.365 117.404 119.800 -0.051 0.000 2.436 215 Q HA -0.070 4.268 4.340 -0.003 0.000 0.209 215 Q C 1.159 177.206 176.000 0.078 0.000 0.965 215 Q CA 1.006 56.778 55.803 -0.052 0.000 0.910 215 Q CB -0.549 28.093 28.738 -0.159 0.000 0.980 215 Q HN 0.166 nan 8.270 nan 0.000 0.491 216 F N 0.566 120.534 119.950 0.031 0.000 2.505 216 F HA 0.420 4.946 4.527 -0.003 0.000 0.289 216 F C 1.442 177.257 175.800 0.024 0.000 1.101 216 F CA 0.637 58.648 58.000 0.019 0.000 1.446 216 F CB 0.698 39.684 39.000 -0.022 0.000 1.123 216 F HN 0.293 nan 8.300 nan 0.000 0.564 217 G N -0.388 108.551 108.800 0.231 0.000 2.334 217 G HA2 0.289 4.247 3.960 -0.003 0.000 0.249 217 G HA3 0.289 4.247 3.960 -0.003 0.000 0.249 217 G C -2.083 172.908 174.900 0.151 0.000 1.327 217 G CA -0.299 44.895 45.100 0.156 0.000 0.979 217 G HN 0.135 nan 8.290 nan 0.000 0.471 218 D N -1.295 119.196 120.400 0.153 0.000 2.592 218 D HA 0.604 5.243 4.640 -0.003 0.000 0.263 218 D C 1.135 177.571 176.300 0.227 0.000 1.132 218 D CA -0.554 53.545 54.000 0.165 0.000 0.996 218 D CB 1.152 42.025 40.800 0.122 0.000 1.442 218 D HN 0.806 nan 8.370 nan 0.000 0.486 219 L N 0.252 121.624 121.223 0.247 0.000 2.013 219 L HA 0.013 4.352 4.340 -0.003 0.000 0.212 219 L C -1.114 175.934 176.870 0.296 0.000 1.073 219 L CA 2.154 57.194 54.840 0.335 0.000 0.753 219 L CB -1.536 40.695 42.059 0.286 0.000 0.890 219 L HN 0.385 nan 8.230 nan 0.000 0.432 220 P HA -0.127 nan 4.420 nan 0.000 0.215 220 P C 1.601 178.967 177.300 0.110 0.000 1.153 220 P CA 1.926 65.101 63.100 0.126 0.000 0.853 220 P CB -0.163 31.590 31.700 0.088 0.000 0.788 221 T N -1.213 113.415 114.554 0.124 0.000 2.812 221 T HA -0.107 4.241 4.350 -0.003 0.000 0.264 221 T C 1.407 176.157 174.700 0.083 0.000 1.042 221 T CA 0.810 62.960 62.100 0.084 0.000 1.140 221 T CB -0.942 67.976 68.868 0.084 0.000 0.870 221 T HN 0.014 nan 8.240 nan 0.000 0.445 222 F N 2.662 122.626 119.950 0.023 0.000 2.095 222 F HA -0.124 4.401 4.527 -0.003 0.000 0.298 222 F C 2.358 178.152 175.800 -0.010 0.000 1.104 222 F CA 1.243 59.242 58.000 -0.002 0.000 1.232 222 F CB -0.113 38.941 39.000 0.091 0.000 0.987 222 F HN -0.142 nan 8.300 nan 0.000 0.475 223 R N 0.452 120.979 120.500 0.045 0.000 2.105 223 R HA -0.191 4.147 4.340 -0.003 0.000 0.239 223 R C 2.315 178.501 176.300 -0.190 0.000 1.135 223 R CA 1.551 57.605 56.100 -0.077 0.000 0.967 223 R CB -0.995 29.334 30.300 0.048 0.000 0.861 223 R HN 0.254 nan 8.270 nan 0.000 0.442 224 R N 0.993 121.420 120.500 -0.122 0.000 2.081 224 R HA -0.095 4.243 4.340 -0.003 0.000 0.235 224 R C 2.194 178.377 176.300 -0.194 0.000 1.131 224 R CA 1.156 57.182 56.100 -0.123 0.000 0.960 224 R CB -0.914 29.348 30.300 -0.063 0.000 0.856 224 R HN 0.177 nan 8.270 nan 0.000 0.436 225 L N -0.085 120.985 121.223 -0.254 0.000 1.989 225 L HA -0.152 4.187 4.340 -0.003 0.000 0.211 225 L C 2.062 178.711 176.870 -0.369 0.000 1.071 225 L CA 1.790 56.460 54.840 -0.284 0.000 0.749 225 L CB -0.696 41.151 42.059 -0.353 0.000 0.890 225 L HN 0.096 nan 8.230 nan 0.000 0.431 226 V N 0.143 119.704 119.914 -0.588 0.000 2.282 226 V HA -0.367 3.751 4.120 -0.003 0.000 0.249 226 V C 2.331 178.002 176.094 -0.704 0.000 1.057 226 V CA 2.147 64.023 62.300 -0.707 0.000 1.032 226 V CB -1.000 30.366 31.823 -0.761 0.000 0.645 226 V HN 0.496 nan 8.190 nan 0.000 0.447 227 D N -0.333 119.805 120.400 -0.436 0.000 2.084 227 D HA -0.124 4.515 4.640 -0.003 0.000 0.196 227 D C 2.277 178.498 176.300 -0.131 0.000 0.985 227 D CA 1.135 54.987 54.000 -0.246 0.000 0.826 227 D CB -0.332 40.379 40.800 -0.148 0.000 0.978 227 D HN 0.432 nan 8.370 nan 0.000 0.456 228 E N 0.616 120.742 120.200 -0.123 0.000 2.204 228 E HA -0.068 4.280 4.350 -0.003 0.000 0.194 228 E C 1.946 178.515 176.600 -0.051 0.000 0.989 228 E CA 0.616 56.974 56.400 -0.069 0.000 0.824 228 E CB -0.131 29.531 29.700 -0.063 0.000 0.756 228 E HN 0.235 nan 8.360 nan 0.000 0.477 229 A N 0.720 123.493 122.820 -0.077 0.000 1.874 229 A HA -0.124 4.194 4.320 -0.003 0.000 0.214 229 A C 1.916 179.523 177.584 0.039 0.000 1.189 229 A CA 1.081 53.099 52.037 -0.032 0.000 0.615 229 A CB -0.776 18.195 19.000 -0.049 0.000 0.830 229 A HN 0.297 nan 8.150 nan 0.000 0.443 230 H N 0.084 119.087 119.070 -0.111 0.000 2.290 230 H HA -0.158 4.396 4.556 -0.003 0.000 0.298 230 H C 2.361 177.630 175.328 -0.098 0.000 1.087 230 H CA 1.450 57.425 56.048 -0.121 0.000 1.291 230 H CB -0.048 29.643 29.762 -0.119 0.000 1.369 230 H HN 0.574 nan 8.280 nan 0.000 0.492 231 R N 1.030 121.565 120.500 0.059 0.000 2.237 231 R HA -0.067 4.272 4.340 -0.003 0.000 0.219 231 R C 1.608 177.902 176.300 -0.011 0.000 1.080 231 R CA 1.056 57.160 56.100 0.007 0.000 0.995 231 R CB -0.115 30.183 30.300 -0.003 0.000 0.875 231 R HN 0.093 nan 8.270 nan 0.000 0.462 232 R N 0.252 120.746 120.500 -0.010 0.000 2.317 232 R HA 0.137 4.475 4.340 -0.003 0.000 0.208 232 R C 0.566 176.849 176.300 -0.028 0.000 0.914 232 R CA 0.786 56.875 56.100 -0.017 0.000 1.060 232 R CB 0.478 30.770 30.300 -0.014 0.000 1.015 232 R HN 0.569 nan 8.270 nan 0.000 0.498 233 G N 0.472 109.248 108.800 -0.041 0.000 2.149 233 G HA2 -0.248 3.710 3.960 -0.003 0.000 0.235 233 G HA3 -0.248 3.710 3.960 -0.003 0.000 0.235 233 G C -0.074 174.765 174.900 -0.102 0.000 1.018 233 G CA -0.014 45.041 45.100 -0.076 0.000 0.728 233 G HN 0.250 nan 8.290 nan 0.000 0.508 234 I N 0.542 121.062 120.570 -0.084 0.000 2.433 234 I HA 0.390 4.559 4.170 -0.003 0.000 0.292 234 I C 0.419 176.473 176.117 -0.105 0.000 1.001 234 I CA -1.047 60.193 61.300 -0.100 0.000 1.119 234 I CB 1.567 39.532 38.000 -0.059 0.000 1.289 234 I HN -0.118 nan 8.210 nan 0.000 0.438 235 K N 5.327 125.575 120.400 -0.254 0.000 2.090 235 K HA 0.610 4.928 4.320 -0.003 0.000 0.250 235 K C -0.902 175.646 176.600 -0.087 0.000 1.004 235 K CA -0.809 55.296 56.287 -0.303 0.000 0.919 235 K CB 1.793 33.802 32.500 -0.818 0.000 1.045 235 K HN 0.278 nan 8.250 nan 0.000 0.471 236 I N 1.617 122.198 120.570 0.018 0.000 2.465 236 I HA 0.345 4.513 4.170 -0.003 0.000 0.291 236 I C -0.416 175.759 176.117 0.096 0.000 1.014 236 I CA -0.355 60.992 61.300 0.078 0.000 1.093 236 I CB 1.357 39.422 38.000 0.108 0.000 1.267 236 I HN 0.383 nan 8.210 nan 0.000 0.431 237 I N 6.872 127.526 120.570 0.140 0.000 2.436 237 I HA 0.443 4.611 4.170 -0.003 0.000 0.289 237 I C -0.731 175.509 176.117 0.205 0.000 1.010 237 I CA -0.671 60.729 61.300 0.167 0.000 1.098 237 I CB 1.411 39.614 38.000 0.338 0.000 1.266 237 I HN 0.246 nan 8.210 nan 0.000 0.434 238 L N 4.223 125.459 121.223 0.022 0.000 2.352 238 L HA 0.483 4.821 4.340 -0.003 0.000 0.269 238 L C -0.096 176.881 176.870 0.177 0.000 1.034 238 L CA -0.772 54.073 54.840 0.009 0.000 0.806 238 L CB 1.292 43.184 42.059 -0.278 0.000 1.244 238 L HN 0.500 nan 8.230 nan 0.000 0.447 239 D N 1.548 121.981 120.400 0.056 0.000 2.316 239 D HA 0.373 5.012 4.640 -0.003 0.000 0.245 239 D C -0.627 175.621 176.300 -0.086 0.000 1.171 239 D CA -0.068 53.961 54.000 0.048 0.000 0.856 239 D CB 1.774 42.531 40.800 -0.071 0.000 1.090 239 D HN 0.559 nan 8.370 nan 0.000 0.476 240 A N 3.923 126.675 122.820 -0.114 0.000 2.260 240 A HA 0.390 4.708 4.320 -0.003 0.000 0.312 240 A C -0.115 177.159 177.584 -0.516 0.000 1.321 240 A CA -0.657 51.050 52.037 -0.550 0.000 0.928 240 A CB 0.644 18.972 19.000 -1.120 0.000 1.158 240 A HN 0.376 nan 8.150 nan 0.000 0.542 241 V N 4.216 123.933 119.914 -0.330 0.000 2.221 241 V HA 0.161 4.280 4.120 -0.003 0.000 0.258 241 V C -0.062 176.117 176.094 0.141 0.000 1.179 241 V CA 0.091 62.305 62.300 -0.144 0.000 1.022 241 V CB -1.024 30.698 31.823 -0.169 0.000 1.228 241 V HN 0.830 nan 8.190 nan 0.000 0.487 242 F N 1.163 121.111 119.950 -0.004 0.000 2.721 242 F HA 0.187 4.712 4.527 -0.003 0.000 0.301 242 F C 2.014 177.697 175.800 -0.195 0.000 1.096 242 F CA -0.226 57.719 58.000 -0.092 0.000 1.308 242 F CB -0.348 38.574 39.000 -0.130 0.000 1.086 242 F HN 0.461 nan 8.300 nan 0.000 0.587 243 N N 0.272 119.030 118.700 0.096 0.000 2.300 243 N HA -0.106 4.632 4.740 -0.003 0.000 0.179 243 N C -0.064 175.596 175.510 0.250 0.000 1.016 243 N CA 0.972 54.117 53.050 0.158 0.000 0.876 243 N CB 0.149 38.836 38.487 0.333 0.000 0.979 243 N HN 0.299 nan 8.380 nan 0.000 0.432 244 H N -2.405 116.726 119.070 0.102 0.000 3.037 244 H HA 0.680 5.234 4.556 -0.003 0.000 0.355 244 H C -1.265 174.138 175.328 0.126 0.000 1.263 244 H CA -0.876 55.237 56.048 0.107 0.000 1.129 244 H CB 1.122 30.972 29.762 0.147 0.000 1.861 244 H HN 0.038 nan 8.280 nan 0.000 0.546 245 A N 0.725 123.622 122.820 0.128 0.000 2.352 245 A HA 0.783 5.101 4.320 -0.003 0.000 0.299 245 A C 0.446 178.106 177.584 0.126 0.000 1.160 245 A CA -0.344 51.747 52.037 0.091 0.000 0.933 245 A CB 0.822 19.739 19.000 -0.138 0.000 1.387 245 A HN 0.925 nan 8.150 nan 0.000 0.487 246 G N -1.256 107.636 108.800 0.152 0.000 2.451 246 G HA2 0.415 4.373 3.960 -0.003 0.000 0.303 246 G HA3 0.415 4.373 3.960 -0.003 0.000 0.303 246 G C 0.105 175.068 174.900 0.104 0.000 1.166 246 G CA 0.324 45.511 45.100 0.145 0.000 0.884 246 G HN 0.827 nan 8.290 nan 0.000 0.514 247 D N -0.693 119.733 120.400 0.043 0.000 2.384 247 D HA -0.161 4.477 4.640 -0.003 0.000 0.222 247 D C 1.721 178.211 176.300 0.317 0.000 0.976 247 D CA 0.866 54.895 54.000 0.050 0.000 0.915 247 D CB 0.286 41.173 40.800 0.146 0.000 0.896 247 D HN 0.342 nan 8.370 nan 0.000 0.523 248 Q N -0.907 119.058 119.800 0.275 0.000 2.402 248 Q HA 0.160 4.498 4.340 -0.003 0.000 0.206 248 Q C -0.235 175.971 176.000 0.343 0.000 0.919 248 Q CA -0.334 55.632 55.803 0.272 0.000 0.923 248 Q CB -0.212 28.653 28.738 0.212 0.000 1.048 248 Q HN 0.354 nan 8.270 nan 0.000 0.515 249 F N 1.445 121.542 119.950 0.245 0.000 2.579 249 F HA -0.126 4.399 4.527 -0.003 0.000 0.397 249 F C 0.996 176.893 175.800 0.162 0.000 1.027 249 F CA -0.430 57.735 58.000 0.275 0.000 1.217 249 F CB 0.061 39.261 39.000 0.334 0.000 0.986 249 F HN 0.237 nan 8.300 nan 0.000 0.551 250 F N 5.625 125.379 119.950 -0.328 0.000 2.063 250 F HA -0.254 4.271 4.527 -0.003 0.000 0.298 250 F C 1.807 177.194 175.800 -0.689 0.000 1.109 250 F CA 2.105 59.824 58.000 -0.469 0.000 1.212 250 F CB -1.340 37.378 39.000 -0.469 0.000 0.973 250 F HN 0.426 nan 8.300 nan 0.000 0.480 251 A N 0.036 121.131 122.820 -2.875 0.000 1.902 251 A HA -0.161 4.158 4.320 -0.003 0.000 0.217 251 A C 2.218 179.374 177.584 -0.714 0.000 1.181 251 A CA 1.537 52.210 52.037 -2.273 0.000 0.623 251 A CB -1.715 15.942 19.000 -2.239 0.000 0.818 251 A HN 0.603 nan 8.150 nan 0.000 0.443 252 F N 0.809 120.549 119.950 -0.351 0.000 2.234 252 F HA -0.092 4.434 4.527 -0.003 0.000 0.299 252 F C 2.304 177.923 175.800 -0.302 0.000 1.087 252 F CA 1.345 59.134 58.000 -0.352 0.000 1.340 252 F CB -0.165 38.706 39.000 -0.214 0.000 1.031 252 F HN 0.132 nan 8.300 nan 0.000 0.500 253 R N -0.099 120.234 120.500 -0.279 0.000 2.081 253 R HA -0.182 4.156 4.340 -0.003 0.000 0.235 253 R C 1.872 177.996 176.300 -0.293 0.000 1.131 253 R CA 1.799 57.746 56.100 -0.256 0.000 0.960 253 R CB -0.827 29.420 30.300 -0.088 0.000 0.856 253 R HN 0.319 nan 8.270 nan 0.000 0.436 254 D N 0.263 120.499 120.400 -0.274 0.000 2.097 254 D HA -0.143 4.495 4.640 -0.003 0.000 0.197 254 D C 1.882 178.074 176.300 -0.181 0.000 0.984 254 D CA 1.142 55.039 54.000 -0.172 0.000 0.826 254 D CB 0.184 40.930 40.800 -0.090 0.000 0.973 254 D HN 0.079 nan 8.370 nan 0.000 0.460 255 V N 0.137 119.903 119.914 -0.246 0.000 2.626 255 V HA -0.069 4.049 4.120 -0.003 0.000 0.252 255 V C 1.942 177.885 176.094 -0.251 0.000 1.067 255 V CA 1.295 63.483 62.300 -0.187 0.000 1.081 255 V CB -0.473 31.275 31.823 -0.125 0.000 0.686 255 V HN 0.392 nan 8.190 nan 0.000 0.468 256 L N -0.278 120.669 121.223 -0.460 0.000 2.291 256 L HA -0.050 4.288 4.340 -0.003 0.000 0.214 256 L C 2.448 179.209 176.870 -0.182 0.000 1.120 256 L CA 1.654 56.258 54.840 -0.392 0.000 0.799 256 L CB -0.106 41.584 42.059 -0.615 0.000 0.925 256 L HN 0.405 nan 8.230 nan 0.000 0.446 257 Q N -0.853 118.850 119.800 -0.161 0.000 2.391 257 Q HA 0.041 4.379 4.340 -0.003 0.000 0.211 257 Q C 0.938 176.893 176.000 -0.074 0.000 0.908 257 Q CA 0.414 56.161 55.803 -0.094 0.000 0.920 257 Q CB 0.530 29.218 28.738 -0.083 0.000 1.056 257 Q HN 0.275 nan 8.270 nan 0.000 0.523 258 K N -0.534 119.816 120.400 -0.083 0.000 2.477 258 K HA 0.241 4.559 4.320 -0.003 0.000 0.208 258 K C 0.898 177.442 176.600 -0.094 0.000 1.117 258 K CA 0.649 56.888 56.287 -0.079 0.000 1.039 258 K CB 0.993 33.448 32.500 -0.076 0.000 0.937 258 K HN 0.205 nan 8.250 nan 0.000 0.570 259 G N 3.837 112.600 108.800 -0.063 0.000 2.632 259 G HA2 -0.451 3.507 3.960 -0.003 0.000 0.322 259 G HA3 -0.451 3.507 3.960 -0.003 0.000 0.322 259 G C 1.047 175.833 174.900 -0.191 0.000 1.326 259 G CA 1.356 46.442 45.100 -0.025 0.000 0.986 259 G HN 0.418 nan 8.290 nan 0.000 0.541 260 E N -0.712 119.059 120.200 -0.714 0.000 2.253 260 E HA -0.289 4.059 4.350 -0.003 0.000 0.202 260 E C 2.094 178.498 176.600 -0.327 0.000 1.014 260 E CA 1.975 57.884 56.400 -0.819 0.000 0.823 260 E CB -0.174 28.805 29.700 -1.202 0.000 0.736 260 E HN 0.481 nan 8.360 nan 0.000 0.478 261 Q N 1.012 120.665 119.800 -0.244 0.000 2.320 261 Q HA 0.152 4.490 4.340 -0.003 0.000 0.201 261 Q C -0.024 175.907 176.000 -0.115 0.000 0.910 261 Q CA 0.013 55.725 55.803 -0.152 0.000 0.946 261 Q CB 0.652 29.312 28.738 -0.130 0.000 1.062 261 Q HN 0.178 nan 8.270 nan 0.000 0.503 262 S N -0.684 114.953 115.700 -0.104 0.000 2.545 262 S HA 0.204 4.672 4.470 -0.003 0.000 0.275 262 S C 0.951 175.481 174.600 -0.117 0.000 1.299 262 S CA -0.538 57.612 58.200 -0.083 0.000 1.048 262 S CB 1.031 64.202 63.200 -0.049 0.000 0.938 262 S HN 0.267 nan 8.310 nan 0.000 0.496 263 R N 3.281 123.657 120.500 -0.205 0.000 2.193 263 R HA 0.023 4.361 4.340 -0.003 0.000 0.229 263 R C 0.143 176.103 176.300 -0.568 0.000 1.110 263 R CA 1.681 57.544 56.100 -0.395 0.000 0.988 263 R CB -0.367 29.593 30.300 -0.567 0.000 0.871 263 R HN 0.823 nan 8.270 nan 0.000 0.458 264 Y N 0.047 120.188 120.300 -0.266 0.000 2.720 264 Y HA 0.202 4.750 4.550 -0.003 0.000 0.277 264 Y C 1.096 176.964 175.900 -0.053 0.000 1.144 264 Y CA -0.495 57.334 58.100 -0.453 0.000 1.221 264 Y CB 0.268 38.229 38.460 -0.833 0.000 1.163 264 Y HN 0.073 nan 8.280 nan 0.000 0.537 265 K N -1.007 119.479 120.400 0.143 0.000 2.148 265 K HA -0.133 4.185 4.320 -0.003 0.000 0.204 265 K C 0.345 177.163 176.600 0.362 0.000 1.050 265 K CA 1.847 58.292 56.287 0.264 0.000 0.942 265 K CB -0.027 32.607 32.500 0.223 0.000 0.724 265 K HN 0.076 nan 8.250 nan 0.000 0.446 266 D N -0.130 120.460 120.400 0.316 0.000 2.349 266 D HA -0.027 4.611 4.640 -0.003 0.000 0.224 266 D C 0.387 176.848 176.300 0.268 0.000 1.029 266 D CA 0.350 54.511 54.000 0.268 0.000 0.879 266 D CB -0.078 40.835 40.800 0.188 0.000 0.906 266 D HN 0.355 nan 8.370 nan 0.000 0.528 267 W N -0.091 121.187 121.300 -0.036 0.000 3.256 267 W HA 0.189 4.848 4.660 -0.003 0.000 0.269 267 W C 0.097 176.127 176.519 -0.815 0.000 1.310 267 W CA -0.253 56.847 57.345 -0.409 0.000 1.673 267 W CB -0.356 28.822 29.460 -0.471 0.000 1.115 267 W HN -0.191 nan 8.180 nan 0.000 0.686 268 F N -2.088 117.897 119.950 0.058 0.000 2.764 268 F HA 0.462 4.988 4.527 -0.003 0.000 0.347 268 F C -0.586 175.068 175.800 -0.243 0.000 1.151 268 F CA -1.909 56.047 58.000 -0.073 0.000 1.021 268 F CB 0.135 39.219 39.000 0.141 0.000 1.438 268 F HN -0.528 nan 8.300 nan 0.000 0.516 269 F N 2.232 122.392 119.950 0.350 0.000 2.387 269 F HA 0.453 4.979 4.527 -0.002 0.000 0.332 269 F C -0.300 175.629 175.800 0.215 0.000 1.174 269 F CA -0.510 57.623 58.000 0.222 0.000 1.257 269 F CB -0.049 39.052 39.000 0.168 0.000 1.569 269 F HN 0.013 nan 8.300 nan 0.000 0.554 270 I N 1.646 122.385 120.570 0.282 0.000 2.325 270 I HA 0.221 4.389 4.170 -0.003 0.000 0.291 270 I C 0.773 176.850 176.117 -0.067 0.000 1.019 270 I CA -0.270 61.101 61.300 0.120 0.000 1.302 270 I CB 1.304 39.301 38.000 -0.006 0.000 1.401 270 I HN 0.489 nan 8.210 nan 0.000 0.485 271 E N 4.072 124.236 120.200 -0.059 0.000 2.004 271 E HA -0.026 4.322 4.350 -0.003 0.000 0.193 271 E C -0.333 176.139 176.600 -0.213 0.000 0.985 271 E CA 0.646 56.990 56.400 -0.094 0.000 0.832 271 E CB 0.172 29.846 29.700 -0.045 0.000 0.787 271 E HN 0.578 nan 8.360 nan 0.000 0.466 272 D N -0.169 120.115 120.400 -0.194 0.000 2.192 272 D HA 0.306 4.944 4.640 -0.003 0.000 0.246 272 D C -0.899 175.301 176.300 -0.166 0.000 1.042 272 D CA -0.271 53.638 54.000 -0.152 0.000 0.847 272 D CB 1.241 42.015 40.800 -0.043 0.000 1.186 272 D HN -0.048 nan 8.370 nan 0.000 0.461 273 F N 1.623 121.595 119.950 0.037 0.000 2.425 273 F HA 0.375 4.900 4.527 -0.003 0.000 0.331 273 F C -1.278 174.532 175.800 0.016 0.000 1.085 273 F CA -1.569 56.449 58.000 0.029 0.000 1.028 273 F CB 1.300 40.316 39.000 0.027 0.000 1.177 273 F HN 0.073 nan 8.300 nan 0.000 0.487 274 P HA 0.341 nan 4.420 nan 0.000 0.282 274 P C -1.151 176.253 177.300 0.173 0.000 1.259 274 P CA -0.460 62.798 63.100 0.263 0.000 0.826 274 P CB 1.714 33.489 31.700 0.125 0.000 1.064 275 V N -0.646 119.375 119.914 0.179 0.000 2.649 275 V HA 0.408 4.526 4.120 -0.003 0.000 0.292 275 V C 0.468 176.605 176.094 0.073 0.000 1.055 275 V CA -0.273 62.089 62.300 0.102 0.000 1.023 275 V CB 0.550 32.462 31.823 0.148 0.000 0.992 275 V HN 0.599 nan 8.190 nan 0.000 0.480 276 S N 2.495 118.226 115.700 0.051 0.000 2.647 276 S HA 0.507 4.976 4.470 -0.003 0.000 0.284 276 S C 0.665 175.309 174.600 0.073 0.000 1.134 276 S CA -0.755 57.473 58.200 0.046 0.000 1.027 276 S CB 1.214 64.432 63.200 0.030 0.000 1.180 276 S HN 0.853 nan 8.310 nan 0.000 0.521 277 K N 0.224 120.666 120.400 0.069 0.000 2.481 277 K HA 0.102 4.420 4.320 -0.003 0.000 0.210 277 K C 1.652 178.306 176.600 0.091 0.000 1.161 277 K CA 0.314 56.662 56.287 0.101 0.000 1.023 277 K CB 0.217 32.765 32.500 0.080 0.000 0.971 277 K HN 0.797 nan 8.250 nan 0.000 0.577 278 T N -0.482 114.109 114.554 0.061 0.000 2.443 278 T HA -0.165 4.183 4.350 -0.003 0.000 0.248 278 T C 1.648 176.381 174.700 0.054 0.000 1.247 278 T CA 2.098 64.228 62.100 0.050 0.000 1.261 278 T CB -0.312 68.575 68.868 0.031 0.000 0.867 278 T HN 0.148 nan 8.240 nan 0.000 0.394 279 S N -1.541 114.179 115.700 0.033 0.000 2.184 279 S HA 0.208 4.677 4.470 -0.003 0.000 0.253 279 S C 0.342 174.930 174.600 -0.020 0.000 0.950 279 S CA -0.695 57.519 58.200 0.024 0.000 1.541 279 S CB -0.321 62.895 63.200 0.027 0.000 1.172 279 S HN 0.459 nan 8.310 nan 0.000 0.577 280 R N 3.048 123.530 120.500 -0.031 0.000 2.435 280 R HA 0.300 4.639 4.340 -0.003 0.000 0.325 280 R C -0.639 175.578 176.300 -0.138 0.000 1.149 280 R CA 0.321 56.384 56.100 -0.062 0.000 0.995 280 R CB -0.200 30.076 30.300 -0.039 0.000 1.008 280 R HN 0.269 nan 8.270 nan 0.000 0.470 281 T N 3.087 117.524 114.554 -0.194 0.000 2.817 281 T HA 0.025 4.373 4.350 -0.003 0.000 0.295 281 T C 0.705 175.200 174.700 -0.342 0.000 0.958 281 T CA 0.122 61.986 62.100 -0.393 0.000 1.157 281 T CB 0.249 68.938 68.868 -0.298 0.000 0.898 281 T HN 0.477 nan 8.240 nan 0.000 0.536 282 N N 1.882 120.304 118.700 -0.464 0.000 2.235 282 N HA 0.204 4.942 4.740 -0.003 0.000 0.231 282 N C -1.147 174.313 175.510 -0.083 0.000 1.177 282 N CA -0.326 52.598 53.050 -0.210 0.000 0.874 282 N CB 0.523 38.935 38.487 -0.125 0.000 1.097 282 N HN 0.691 nan 8.380 nan 0.000 0.518 283 Y N -1.573 118.772 120.300 0.075 0.000 2.534 283 Y HA 0.520 5.068 4.550 -0.003 0.000 0.345 283 Y C -0.158 175.818 175.900 0.127 0.000 1.031 283 Y CA -2.002 56.177 58.100 0.131 0.000 1.022 283 Y CB 0.461 39.039 38.460 0.196 0.000 1.292 283 Y HN -0.135 nan 8.280 nan 0.000 0.459 284 E N 1.562 122.004 120.200 0.404 0.000 2.398 284 E HA 0.434 4.782 4.350 -0.003 0.000 0.263 284 E C -0.360 176.447 176.600 0.345 0.000 1.046 284 E CA 0.172 56.724 56.400 0.253 0.000 0.908 284 E CB 0.821 30.584 29.700 0.105 0.000 0.963 284 E HN 0.922 nan 8.360 nan 0.000 0.431 285 T N 0.801 115.486 114.554 0.219 0.000 2.831 285 T HA 0.206 4.555 4.350 -0.003 0.000 0.287 285 T C 0.769 175.518 174.700 0.081 0.000 1.070 285 T CA -0.441 61.785 62.100 0.209 0.000 1.010 285 T CB 0.484 69.502 68.868 0.250 0.000 1.264 285 T HN 0.625 nan 8.240 nan 0.000 0.532 286 F N 1.552 121.423 119.950 -0.133 0.000 2.153 286 F HA -0.132 4.393 4.527 -0.003 0.000 0.300 286 F C 2.171 177.869 175.800 -0.170 0.000 1.214 286 F CA 2.349 60.138 58.000 -0.352 0.000 1.248 286 F CB -0.950 37.775 39.000 -0.458 0.000 0.924 286 F HN 0.806 nan 8.300 nan 0.000 0.553 287 A N -0.213 121.829 122.820 -1.298 0.000 2.353 287 A HA 0.236 4.555 4.320 -0.003 0.000 0.218 287 A C 1.670 178.987 177.584 -0.445 0.000 1.760 287 A CA 1.133 52.507 52.037 -1.105 0.000 0.638 287 A CB -1.022 17.245 19.000 -1.222 0.000 1.280 287 A HN 0.336 nan 8.150 nan 0.000 0.511 288 V N -0.929 118.795 119.914 -0.317 0.000 3.505 288 V HA 0.134 4.253 4.120 -0.003 0.000 0.200 288 V C 0.580 176.617 176.094 -0.095 0.000 1.192 288 V CA 0.279 62.480 62.300 -0.164 0.000 1.397 288 V CB -0.525 31.220 31.823 -0.130 0.000 1.403 288 V HN 0.590 nan 8.190 nan 0.000 0.489 289 Q N 0.720 120.484 119.800 -0.061 0.000 2.508 289 Q HA 0.460 4.798 4.340 -0.003 0.000 0.247 289 Q C -1.582 174.435 176.000 0.029 0.000 1.047 289 Q CA -0.127 55.669 55.803 -0.012 0.000 0.783 289 Q CB 1.581 30.305 28.738 -0.024 0.000 1.172 289 Q HN 0.449 nan 8.270 nan 0.000 0.515 290 V N 3.964 123.926 119.914 0.080 0.000 2.266 290 V HA 0.174 4.292 4.120 -0.003 0.000 0.266 290 V C -1.420 174.797 176.094 0.205 0.000 1.036 290 V CA -1.222 61.163 62.300 0.142 0.000 0.828 290 V CB 0.766 32.706 31.823 0.195 0.000 1.081 290 V HN 0.590 nan 8.190 nan 0.000 0.449 291 P HA -0.234 nan 4.420 nan 0.000 0.219 291 P C 1.196 178.642 177.300 0.242 0.000 1.144 291 P CA 1.832 65.100 63.100 0.281 0.000 0.806 291 P CB 0.485 32.307 31.700 0.205 0.000 0.771 292 A N -1.214 121.725 122.820 0.199 0.000 2.218 292 A HA 0.162 4.481 4.320 -0.003 0.000 0.209 292 A C 1.472 179.141 177.584 0.143 0.000 1.168 292 A CA 0.321 52.460 52.037 0.169 0.000 0.804 292 A CB -0.554 18.572 19.000 0.209 0.000 0.834 292 A HN 0.187 nan 8.150 nan 0.000 0.482 293 M N 1.676 121.374 119.600 0.163 0.000 2.389 293 M HA 0.249 4.728 4.480 -0.003 0.000 0.206 293 M C -2.981 173.399 176.300 0.134 0.000 0.976 293 M CA -1.646 53.787 55.300 0.223 0.000 0.648 293 M CB 1.690 34.524 32.600 0.391 0.000 1.474 293 M HN -0.053 nan 8.290 nan 0.000 0.398 294 P HA 0.094 nan 4.420 nan 0.000 0.271 294 P C -0.828 176.587 177.300 0.192 0.000 1.216 294 P CA -0.070 62.915 63.100 -0.193 0.000 0.771 294 P CB 1.014 32.159 31.700 -0.925 0.000 0.864 295 K N 3.048 123.631 120.400 0.305 0.000 2.350 295 K HA 0.164 4.483 4.320 -0.003 0.000 0.279 295 K C -0.381 176.391 176.600 0.287 0.000 1.027 295 K CA -0.487 56.024 56.287 0.375 0.000 0.969 295 K CB 0.110 32.885 32.500 0.459 0.000 0.954 295 K HN 0.277 nan 8.250 nan 0.000 0.474 296 L N 4.169 125.452 121.223 0.101 0.000 2.350 296 L HA 0.267 4.606 4.340 -0.003 0.000 0.275 296 L C 0.720 177.455 176.870 -0.225 0.000 1.099 296 L CA 0.224 54.939 54.840 -0.209 0.000 0.808 296 L CB 1.068 42.963 42.059 -0.273 0.000 1.149 296 L HN 0.627 nan 8.230 nan 0.000 0.442 297 R N 1.194 121.420 120.500 -0.457 0.000 3.235 297 R HA 0.100 4.438 4.340 -0.003 0.000 0.232 297 R C 0.759 176.808 176.300 -0.418 0.000 1.475 297 R CA 0.189 55.998 56.100 -0.486 0.000 1.405 297 R CB 0.078 29.947 30.300 -0.719 0.000 1.266 297 R HN 0.881 nan 8.270 nan 0.000 0.650 298 T N -0.943 113.370 114.554 -0.401 0.000 2.946 298 T HA -0.153 4.195 4.350 -0.003 0.000 0.271 298 T C 1.109 175.617 174.700 -0.320 0.000 1.104 298 T CA 1.165 62.944 62.100 -0.535 0.000 1.114 298 T CB -0.017 68.240 68.868 -1.018 0.000 0.867 298 T HN 0.569 nan 8.240 nan 0.000 0.513 299 E N 1.211 121.284 120.200 -0.212 0.000 2.204 299 E HA -0.015 4.333 4.350 -0.003 0.000 0.194 299 E C 0.912 177.414 176.600 -0.163 0.000 0.989 299 E CA 0.101 56.433 56.400 -0.114 0.000 0.824 299 E CB -0.056 29.630 29.700 -0.024 0.000 0.756 299 E HN 0.424 nan 8.360 nan 0.000 0.477 300 N N 1.394 119.934 118.700 -0.267 0.000 2.452 300 N HA -0.013 4.725 4.740 -0.003 0.000 0.266 300 N C -1.612 173.684 175.510 -0.356 0.000 1.175 300 N CA -1.527 51.339 53.050 -0.308 0.000 0.945 300 N CB 1.161 39.392 38.487 -0.427 0.000 1.063 300 N HN -0.124 nan 8.380 nan 0.000 0.472 301 P HA -0.152 nan 4.420 nan 0.000 0.218 301 P C 0.573 177.674 177.300 -0.332 0.000 1.148 301 P CA 1.339 64.290 63.100 -0.247 0.000 0.822 301 P CB 0.498 32.114 31.700 -0.141 0.000 0.784 302 E N -0.256 119.706 120.200 -0.398 0.000 2.077 302 E HA -0.095 4.254 4.350 -0.003 0.000 0.193 302 E C 2.138 178.160 176.600 -0.963 0.000 0.989 302 E CA 0.969 57.088 56.400 -0.469 0.000 0.800 302 E CB -0.391 29.146 29.700 -0.272 0.000 0.746 302 E HN 0.084 nan 8.360 nan 0.000 0.452 303 V N 1.341 120.506 119.914 -1.249 0.000 2.453 303 V HA -0.221 3.897 4.120 -0.003 0.000 0.247 303 V C 2.295 177.996 176.094 -0.654 0.000 1.048 303 V CA 1.511 63.144 62.300 -1.110 0.000 1.049 303 V CB -0.317 30.958 31.823 -0.914 0.000 0.672 303 V HN 0.175 nan 8.190 nan 0.000 0.457 304 K N -0.123 119.919 120.400 -0.596 0.000 2.025 304 K HA -0.183 4.135 4.320 -0.003 0.000 0.207 304 K C 2.240 178.362 176.600 -0.797 0.000 1.049 304 K CA 1.444 57.290 56.287 -0.735 0.000 0.933 304 K CB -0.056 32.075 32.500 -0.615 0.000 0.714 304 K HN 0.413 nan 8.250 nan 0.000 0.438 305 E N 0.009 119.959 120.200 -0.418 0.000 2.058 305 E HA -0.254 4.094 4.350 -0.003 0.000 0.194 305 E C 1.896 178.488 176.600 -0.012 0.000 0.997 305 E CA 1.405 57.717 56.400 -0.147 0.000 0.801 305 E CB -0.658 29.020 29.700 -0.036 0.000 0.746 305 E HN 0.483 nan 8.360 nan 0.000 0.450 306 Y N 1.401 121.592 120.300 -0.182 0.000 2.089 306 Y HA -0.204 4.345 4.550 -0.003 0.000 0.282 306 Y C 2.498 178.350 175.900 -0.080 0.000 1.139 306 Y CA 1.299 59.375 58.100 -0.039 0.000 1.123 306 Y CB -0.217 38.282 38.460 0.065 0.000 0.980 306 Y HN -0.077 nan 8.280 nan 0.000 0.493 307 L N -0.605 120.432 121.223 -0.311 0.000 2.081 307 L HA -0.300 4.038 4.340 -0.003 0.000 0.212 307 L C 2.371 179.178 176.870 -0.106 0.000 1.080 307 L CA 1.497 56.032 54.840 -0.509 0.000 0.754 307 L CB -0.787 40.734 42.059 -0.897 0.000 0.893 307 L HN 0.365 nan 8.230 nan 0.000 0.433 308 F N -0.064 119.766 119.950 -0.199 0.000 2.234 308 F HA -0.210 4.315 4.527 -0.003 0.000 0.299 308 F C 2.309 178.115 175.800 0.010 0.000 1.087 308 F CA 0.250 58.214 58.000 -0.060 0.000 1.340 308 F CB -0.132 38.824 39.000 -0.074 0.000 1.031 308 F HN 0.177 nan 8.300 nan 0.000 0.500 309 D N 0.194 120.694 120.400 0.167 0.000 2.149 309 D HA -0.114 4.525 4.640 -0.003 0.000 0.201 309 D C 2.360 178.728 176.300 0.113 0.000 0.972 309 D CA 0.816 54.889 54.000 0.122 0.000 0.835 309 D CB -0.328 40.528 40.800 0.092 0.000 0.966 309 D HN 0.033 nan 8.370 nan 0.000 0.476 310 V N 1.418 121.344 119.914 0.020 0.000 2.287 310 V HA -0.257 3.861 4.120 -0.003 0.000 0.248 310 V C 2.531 178.908 176.094 0.471 0.000 1.053 310 V CA 1.946 64.318 62.300 0.120 0.000 1.027 310 V CB -0.808 31.067 31.823 0.085 0.000 0.646 310 V HN 0.181 nan 8.190 nan 0.000 0.447 311 A N -0.287 122.837 122.820 0.506 0.000 1.873 311 A HA -0.219 4.099 4.320 -0.003 0.000 0.215 311 A C 2.344 180.305 177.584 0.628 0.000 1.186 311 A CA 1.869 54.314 52.037 0.679 0.000 0.616 311 A CB -0.526 18.755 19.000 0.468 0.000 0.823 311 A HN 0.478 nan 8.150 nan 0.000 0.442 312 R N -1.673 119.043 120.500 0.360 0.000 2.115 312 R HA -0.197 4.141 4.340 -0.003 0.000 0.239 312 R C 1.991 178.440 176.300 0.248 0.000 1.133 312 R CA 2.000 58.248 56.100 0.248 0.000 0.935 312 R CB -0.680 29.718 30.300 0.163 0.000 0.853 312 R HN 0.596 nan 8.270 nan 0.000 0.433 313 F N -0.243 119.754 119.950 0.079 0.000 2.065 313 F HA -0.278 4.247 4.527 -0.003 0.000 0.298 313 F C 1.798 177.578 175.800 -0.034 0.000 1.112 313 F CA 1.718 59.670 58.000 -0.080 0.000 1.212 313 F CB -0.424 38.396 39.000 -0.300 0.000 0.975 313 F HN 0.096 nan 8.300 nan 0.000 0.476 314 W N 0.005 121.574 121.300 0.449 0.000 2.374 314 W HA -0.179 4.480 4.660 -0.003 0.000 0.288 314 W C 2.453 179.095 176.519 0.205 0.000 1.218 314 W CA 0.846 58.412 57.345 0.368 0.000 1.245 314 W CB -0.269 29.605 29.460 0.690 0.000 1.126 314 W HN 0.036 nan 8.180 nan 0.000 0.545 315 M N -0.460 119.437 119.600 0.495 0.000 2.319 315 M HA -0.146 4.332 4.480 -0.003 0.000 0.265 315 M C 1.852 178.245 176.300 0.155 0.000 1.068 315 M CA 1.252 56.729 55.300 0.295 0.000 1.118 315 M CB -0.335 32.457 32.600 0.320 0.000 1.395 315 M HN -0.070 nan 8.290 nan 0.000 0.435 316 E N 0.155 120.393 120.200 0.064 0.000 2.338 316 E HA -0.187 4.161 4.350 -0.003 0.000 0.197 316 E C 1.599 178.154 176.600 -0.075 0.000 1.007 316 E CA 0.877 57.244 56.400 -0.055 0.000 0.849 316 E CB 0.119 29.712 29.700 -0.177 0.000 0.774 316 E HN 0.379 nan 8.360 nan 0.000 0.506 317 Q N -0.780 119.020 119.800 -0.000 0.000 2.472 317 Q HA 0.015 4.353 4.340 -0.003 0.000 0.208 317 Q C 0.965 177.057 176.000 0.153 0.000 0.958 317 Q CA 0.837 56.718 55.803 0.129 0.000 0.932 317 Q CB 0.447 29.487 28.738 0.502 0.000 1.007 317 Q HN 0.391 nan 8.270 nan 0.000 0.508 318 G N 0.027 108.902 108.800 0.125 0.000 2.184 318 G HA2 -0.232 3.727 3.960 -0.003 0.000 0.206 318 G HA3 -0.232 3.727 3.960 -0.003 0.000 0.206 318 G C 0.306 175.284 174.900 0.130 0.000 0.995 318 G CA 0.015 45.176 45.100 0.101 0.000 0.651 318 G HN 0.456 nan 8.290 nan 0.000 0.511 319 I N -2.001 118.649 120.570 0.132 0.000 2.993 319 I HA 0.421 4.589 4.170 -0.003 0.000 0.286 319 I C 0.442 176.581 176.117 0.037 0.000 1.215 319 I CA 0.182 61.526 61.300 0.074 0.000 1.393 319 I CB 0.550 38.547 38.000 -0.005 0.000 1.371 319 I HN -0.061 nan 8.210 nan 0.000 0.602 320 D N 2.900 123.313 120.400 0.022 0.000 2.431 320 D HA 0.324 4.962 4.640 -0.003 0.000 0.213 320 D C 0.481 176.860 176.300 0.131 0.000 1.130 320 D CA 0.275 54.306 54.000 0.051 0.000 0.834 320 D CB 1.206 41.979 40.800 -0.045 0.000 0.985 320 D HN 0.907 nan 8.370 nan 0.000 0.504 321 G N 0.357 109.130 108.800 -0.045 0.000 2.316 321 G HA2 0.314 4.273 3.960 -0.003 0.000 0.296 321 G HA3 0.314 4.273 3.960 -0.003 0.000 0.296 321 G C -2.253 172.518 174.900 -0.215 0.000 1.399 321 G CA -1.048 44.046 45.100 -0.010 0.000 0.833 321 G HN 0.025 nan 8.290 nan 0.000 0.565 322 W N -0.383 120.986 121.300 0.115 0.000 2.962 322 W HA 0.808 5.467 4.660 -0.003 0.000 0.341 322 W C 0.016 176.432 176.519 -0.173 0.000 1.155 322 W CA -0.968 56.404 57.345 0.045 0.000 1.165 322 W CB 2.000 31.543 29.460 0.137 0.000 1.435 322 W HN 0.463 nan 8.180 nan 0.000 0.546 323 R N 2.706 123.243 120.500 0.061 0.000 2.310 323 R HA 0.452 4.790 4.340 -0.003 0.000 0.324 323 R C -1.361 174.766 176.300 -0.287 0.000 0.955 323 R CA -0.616 55.309 56.100 -0.292 0.000 0.830 323 R CB 0.668 30.784 30.300 -0.307 0.000 1.154 323 R HN 0.735 nan 8.270 nan 0.000 0.458 324 L N 5.434 126.320 121.223 -0.563 0.000 2.295 324 L HA 0.246 4.585 4.340 -0.003 0.000 0.288 324 L C 0.987 177.593 176.870 -0.440 0.000 1.079 324 L CA -0.411 54.055 54.840 -0.622 0.000 0.830 324 L CB 0.403 41.703 42.059 -1.265 0.000 1.200 324 L HN 0.494 nan 8.230 nan 0.000 0.438 325 N N 3.330 121.900 118.700 -0.217 0.000 2.497 325 N HA 0.018 4.756 4.740 -0.003 0.000 0.271 325 N C 0.592 176.073 175.510 -0.048 0.000 1.142 325 N CA -0.214 52.786 53.050 -0.084 0.000 0.965 325 N CB 1.536 40.077 38.487 0.089 0.000 1.077 325 N HN 0.422 nan 8.380 nan 0.000 0.462 326 V N 2.058 121.934 119.914 -0.063 0.000 4.766 326 V HA -0.338 3.780 4.120 -0.003 0.000 0.260 326 V C 1.892 177.990 176.094 0.007 0.000 0.542 326 V CA 1.198 63.507 62.300 0.014 0.000 0.766 326 V CB -2.765 29.162 31.823 0.173 0.000 0.697 326 V HN 0.855 nan 8.190 nan 0.000 1.171 327 A N 1.366 124.091 122.820 -0.157 0.000 1.917 327 A HA -0.278 4.040 4.320 -0.003 0.000 0.219 327 A C 1.893 179.438 177.584 -0.064 0.000 1.182 327 A CA 2.321 54.268 52.037 -0.150 0.000 0.633 327 A CB -0.699 17.857 19.000 -0.741 0.000 0.819 327 A HN 1.121 nan 8.150 nan 0.000 0.448 328 N N -0.610 117.897 118.700 -0.323 0.000 2.585 328 N HA -0.137 4.601 4.740 -0.003 0.000 0.188 328 N C 0.803 176.408 175.510 0.157 0.000 1.102 328 N CA 1.014 53.857 53.050 -0.346 0.000 0.920 328 N CB -0.198 38.055 38.487 -0.390 0.000 0.963 328 N HN 0.653 nan 8.380 nan 0.000 0.447 329 E N 0.490 120.790 120.200 0.167 0.000 2.476 329 E HA 0.122 4.470 4.350 -0.003 0.000 0.196 329 E C -0.440 176.270 176.600 0.184 0.000 1.029 329 E CA -0.144 56.376 56.400 0.199 0.000 0.896 329 E CB 0.899 30.702 29.700 0.171 0.000 1.012 329 E HN 0.180 nan 8.360 nan 0.000 0.475 330 V N 3.029 123.075 119.914 0.220 0.000 2.581 330 V HA 0.055 4.174 4.120 -0.003 0.000 0.303 330 V C 0.037 176.219 176.094 0.147 0.000 1.041 330 V CA -1.202 61.121 62.300 0.038 0.000 0.907 330 V CB 1.769 33.494 31.823 -0.163 0.000 0.994 330 V HN 0.169 nan 8.190 nan 0.000 0.442 331 D N 1.692 122.126 120.400 0.058 0.000 2.443 331 D HA -0.032 4.606 4.640 -0.003 0.000 0.239 331 D C 0.728 177.238 176.300 0.350 0.000 1.136 331 D CA 0.049 54.193 54.000 0.240 0.000 0.879 331 D CB 0.654 41.555 40.800 0.168 0.000 1.195 331 D HN 0.577 nan 8.370 nan 0.000 0.443 332 H N 1.724 121.003 119.070 0.348 0.000 2.387 332 H HA -0.033 4.521 4.556 -0.003 0.000 0.299 332 H C 2.111 177.612 175.328 0.288 0.000 1.090 332 H CA 2.096 58.370 56.048 0.376 0.000 1.332 332 H CB -0.406 29.452 29.762 0.159 0.000 1.386 332 H HN 0.645 nan 8.280 nan 0.000 0.516 333 A N 0.775 123.793 122.820 0.329 0.000 1.884 333 A HA -0.266 4.053 4.320 -0.003 0.000 0.219 333 A C 2.246 179.970 177.584 0.233 0.000 1.197 333 A CA 1.941 54.108 52.037 0.217 0.000 0.637 333 A CB -1.173 17.917 19.000 0.149 0.000 0.827 333 A HN 0.471 nan 8.150 nan 0.000 0.450 334 F N -1.102 118.869 119.950 0.034 0.000 2.102 334 F HA -0.173 4.352 4.527 -0.003 0.000 0.298 334 F C 2.091 177.937 175.800 0.077 0.000 1.105 334 F CA 1.752 59.708 58.000 -0.073 0.000 1.239 334 F CB -0.541 38.226 39.000 -0.388 0.000 0.991 334 F HN 0.410 nan 8.300 nan 0.000 0.474 335 W N 0.635 122.243 121.300 0.513 0.000 2.402 335 W HA -0.090 4.568 4.660 -0.003 0.000 0.286 335 W C 2.634 179.320 176.519 0.278 0.000 1.221 335 W CA 0.660 58.262 57.345 0.428 0.000 1.257 335 W CB -0.279 29.491 29.460 0.518 0.000 1.120 335 W HN -0.139 nan 8.180 nan 0.000 0.551 336 R N 0.451 121.202 120.500 0.418 0.000 2.081 336 R HA -0.154 4.184 4.340 -0.003 0.000 0.235 336 R C 1.810 178.208 176.300 0.165 0.000 1.131 336 R CA 1.609 57.855 56.100 0.243 0.000 0.960 336 R CB -0.401 30.003 30.300 0.174 0.000 0.856 336 R HN 0.332 nan 8.270 nan 0.000 0.436 337 E N -0.391 119.894 120.200 0.142 0.000 2.152 337 E HA -0.160 4.188 4.350 -0.003 0.000 0.192 337 E C 1.620 178.170 176.600 -0.083 0.000 0.983 337 E CA 0.648 57.085 56.400 0.063 0.000 0.818 337 E CB -0.094 29.694 29.700 0.148 0.000 0.758 337 E HN 0.190 nan 8.360 nan 0.000 0.467 338 F N 2.118 121.934 119.950 -0.224 0.000 2.095 338 F HA -0.197 4.329 4.527 -0.003 0.000 0.298 338 F C 2.420 178.133 175.800 -0.145 0.000 1.104 338 F CA 1.669 59.444 58.000 -0.376 0.000 1.232 338 F CB -0.038 38.985 39.000 0.038 0.000 0.987 338 F HN -0.205 nan 8.300 nan 0.000 0.475 339 R N 0.232 120.789 120.500 0.095 0.000 2.081 339 R HA -0.190 4.148 4.340 -0.003 0.000 0.235 339 R C 2.557 178.794 176.300 -0.106 0.000 1.131 339 R CA 1.572 57.672 56.100 -0.000 0.000 0.960 339 R CB -0.429 29.929 30.300 0.097 0.000 0.856 339 R HN 0.249 nan 8.270 nan 0.000 0.436 340 R N 0.360 120.810 120.500 -0.083 0.000 2.112 340 R HA -0.212 4.126 4.340 -0.003 0.000 0.242 340 R C 2.357 178.567 176.300 -0.150 0.000 1.137 340 R CA 2.093 58.140 56.100 -0.089 0.000 0.944 340 R CB -0.459 29.805 30.300 -0.061 0.000 0.857 340 R HN 0.291 nan 8.270 nan 0.000 0.435 341 L N 0.175 121.234 121.223 -0.272 0.000 1.973 341 L HA -0.112 4.226 4.340 -0.003 0.000 0.208 341 L C 2.119 178.821 176.870 -0.280 0.000 1.073 341 L CA 1.662 56.309 54.840 -0.320 0.000 0.746 341 L CB -0.905 40.815 42.059 -0.566 0.000 0.891 341 L HN 0.016 nan 8.230 nan 0.000 0.433 342 V N 0.583 120.247 119.914 -0.418 0.000 2.231 342 V HA -0.350 3.769 4.120 -0.003 0.000 0.250 342 V C 2.798 178.827 176.094 -0.109 0.000 1.058 342 V CA 2.307 64.444 62.300 -0.272 0.000 1.022 342 V CB -0.929 30.673 31.823 -0.367 0.000 0.640 342 V HN 0.494 nan 8.190 nan 0.000 0.445 343 K N 0.305 120.646 120.400 -0.098 0.000 2.218 343 K HA -0.159 4.159 4.320 -0.003 0.000 0.205 343 K C 2.448 179.033 176.600 -0.025 0.000 1.046 343 K CA 1.731 57.998 56.287 -0.035 0.000 0.933 343 K CB -0.703 31.779 32.500 -0.029 0.000 0.728 343 K HN 0.645 nan 8.250 nan 0.000 0.454 344 S N 0.504 116.175 115.700 -0.048 0.000 2.414 344 S HA -0.016 4.452 4.470 -0.003 0.000 0.227 344 S C 2.053 176.643 174.600 -0.016 0.000 1.022 344 S CA 0.354 58.535 58.200 -0.031 0.000 0.958 344 S CB -0.057 63.116 63.200 -0.045 0.000 0.797 344 S HN 0.220 nan 8.310 nan 0.000 0.493 345 L N 0.785 121.996 121.223 -0.020 0.000 2.072 345 L HA 0.186 4.525 4.340 -0.003 0.000 0.205 345 L C 0.695 177.581 176.870 0.025 0.000 1.079 345 L CA 0.961 55.805 54.840 0.007 0.000 0.752 345 L CB -0.252 41.818 42.059 0.018 0.000 0.906 345 L HN 0.432 nan 8.230 nan 0.000 0.436 346 N N -1.056 117.663 118.700 0.032 0.000 2.793 346 N HA 0.101 4.839 4.740 -0.003 0.000 0.251 346 N C -2.090 173.453 175.510 0.055 0.000 1.308 346 N CA -1.177 51.902 53.050 0.048 0.000 0.781 346 N CB 1.012 39.538 38.487 0.066 0.000 1.439 346 N HN -0.265 nan 8.380 nan 0.000 0.562 347 P HA -0.117 nan 4.420 nan 0.000 0.221 347 P C -0.127 177.216 177.300 0.072 0.000 1.141 347 P CA 1.170 64.297 63.100 0.045 0.000 0.794 347 P CB 0.456 32.178 31.700 0.037 0.000 0.764 348 D N -0.811 119.652 120.400 0.107 0.000 2.363 348 D HA 0.242 4.880 4.640 -0.003 0.000 0.214 348 D C 0.540 177.002 176.300 0.270 0.000 1.093 348 D CA -0.118 53.993 54.000 0.184 0.000 0.837 348 D CB -0.159 40.769 40.800 0.214 0.000 0.948 348 D HN 0.098 nan 8.370 nan 0.000 0.507 349 A N 0.720 123.650 122.820 0.184 0.000 2.409 349 A HA 0.364 4.683 4.320 -0.003 0.000 0.262 349 A C -0.079 177.616 177.584 0.185 0.000 1.113 349 A CA -0.379 51.781 52.037 0.206 0.000 0.790 349 A CB 0.218 19.309 19.000 0.153 0.000 1.046 349 A HN 0.220 nan 8.150 nan 0.000 0.496 350 L N 3.410 124.767 121.223 0.224 0.000 2.371 350 L HA 0.561 4.899 4.340 -0.003 0.000 0.272 350 L C -0.379 176.536 176.870 0.076 0.000 1.124 350 L CA 0.045 54.925 54.840 0.066 0.000 0.816 350 L CB 0.500 42.554 42.059 -0.007 0.000 1.129 350 L HN 0.562 nan 8.230 nan 0.000 0.448 351 I N 5.821 126.389 120.570 -0.003 0.000 2.448 351 I HA 0.355 4.523 4.170 -0.003 0.000 0.281 351 I C -1.005 174.968 176.117 -0.240 0.000 1.027 351 I CA -0.607 60.690 61.300 -0.005 0.000 1.111 351 I CB 1.581 39.650 38.000 0.115 0.000 1.236 351 I HN 0.229 nan 8.210 nan 0.000 0.452 352 V N 4.833 124.467 119.914 -0.467 0.000 2.495 352 V HA 0.690 4.808 4.120 -0.003 0.000 0.298 352 V C 0.534 176.067 176.094 -0.934 0.000 1.031 352 V CA -0.447 61.400 62.300 -0.756 0.000 0.871 352 V CB 1.912 32.993 31.823 -1.237 0.000 0.988 352 V HN 0.823 nan 8.190 nan 0.000 0.432 353 G N 2.350 110.540 108.800 -1.017 0.000 2.441 353 G HA2 0.605 4.563 3.960 -0.003 0.000 0.334 353 G HA3 0.605 4.563 3.960 -0.003 0.000 0.334 353 G C -0.803 173.625 174.900 -0.787 0.000 1.161 353 G CA -0.424 43.928 45.100 -1.247 0.000 0.935 353 G HN 0.711 nan 8.290 nan 0.000 0.488 354 E N 0.765 120.530 120.200 -0.725 0.000 2.063 354 E HA 0.464 4.812 4.350 -0.003 0.000 0.265 354 E C -0.954 175.290 176.600 -0.593 0.000 0.919 354 E CA -0.400 55.608 56.400 -0.653 0.000 0.756 354 E CB 0.459 29.832 29.700 -0.544 0.000 1.120 354 E HN 0.295 nan 8.360 nan 0.000 0.414 355 I N 4.720 124.956 120.570 -0.556 0.000 2.529 355 I HA 0.176 4.344 4.170 -0.003 0.000 0.284 355 I C -0.646 175.347 176.117 -0.207 0.000 1.088 355 I CA -0.586 60.468 61.300 -0.409 0.000 1.062 355 I CB 1.237 38.943 38.000 -0.490 0.000 1.218 355 I HN 0.680 nan 8.210 nan 0.000 0.442 356 W N 6.758 127.986 121.300 -0.119 0.000 3.285 356 W HA 0.183 4.841 4.660 -0.002 0.000 0.426 356 W C 0.809 177.192 176.519 -0.226 0.000 0.957 356 W CA -0.254 56.949 57.345 -0.238 0.000 1.932 356 W CB -0.086 29.046 29.460 -0.546 0.000 0.961 356 W HN 0.547 nan 8.180 nan 0.000 0.832 357 H N -2.644 116.557 119.070 0.219 0.000 2.863 357 H HA 0.059 4.614 4.556 -0.003 0.000 0.274 357 H C -0.878 174.664 175.328 0.356 0.000 1.457 357 H CA -1.097 55.130 56.048 0.299 0.000 1.151 357 H CB 0.299 30.175 29.762 0.189 0.000 1.844 357 H HN -0.266 nan 8.280 nan 0.000 0.562 358 D N 0.436 121.117 120.400 0.468 0.000 2.661 358 D HA 0.054 4.693 4.640 -0.003 0.000 0.244 358 D C 0.569 177.036 176.300 0.277 0.000 1.196 358 D CA 0.871 55.121 54.000 0.415 0.000 0.881 358 D CB 0.249 41.286 40.800 0.395 0.000 1.141 358 D HN 0.620 nan 8.370 nan 0.000 0.530 359 A N 3.096 126.048 122.820 0.221 0.000 2.465 359 A HA 0.057 4.375 4.320 -0.003 0.000 0.255 359 A C 1.957 179.512 177.584 -0.048 0.000 1.274 359 A CA 0.439 52.568 52.037 0.152 0.000 0.920 359 A CB -0.177 18.822 19.000 -0.002 0.000 1.033 359 A HN 0.565 nan 8.150 nan 0.000 0.516 360 S N -0.302 115.377 115.700 -0.034 0.000 2.407 360 S HA -0.173 4.295 4.470 -0.003 0.000 0.235 360 S C 1.859 176.420 174.600 -0.064 0.000 1.036 360 S CA 1.670 59.849 58.200 -0.035 0.000 1.013 360 S CB -0.990 62.367 63.200 0.262 0.000 0.820 360 S HN 0.768 nan 8.310 nan 0.000 0.476 361 G N -0.760 107.967 108.800 -0.121 0.000 2.559 361 G HA2 -0.065 3.894 3.960 -0.003 0.000 0.216 361 G HA3 -0.065 3.894 3.960 -0.003 0.000 0.216 361 G C 0.884 175.494 174.900 -0.484 0.000 1.126 361 G CA 0.393 45.287 45.100 -0.343 0.000 0.778 361 G HN 0.632 nan 8.290 nan 0.000 0.543 362 W N -0.590 120.579 121.300 -0.219 0.000 2.870 362 W HA 0.396 5.054 4.660 -0.003 0.000 0.358 362 W C 0.026 176.317 176.519 -0.379 0.000 1.043 362 W CA -0.242 56.830 57.345 -0.456 0.000 1.692 362 W CB 0.660 29.634 29.460 -0.810 0.000 1.100 362 W HN -0.027 nan 8.180 nan 0.000 0.557 363 L N 0.884 122.072 121.223 -0.059 0.000 3.108 363 L HA 0.184 4.522 4.340 -0.003 0.000 0.251 363 L C 1.141 178.155 176.870 0.240 0.000 1.315 363 L CA 0.180 55.074 54.840 0.090 0.000 1.048 363 L CB -0.640 41.349 42.059 -0.117 0.000 1.432 363 L HN -0.140 nan 8.230 nan 0.000 0.543 364 M N -0.527 119.104 119.600 0.053 0.000 2.502 364 M HA 0.319 4.797 4.480 -0.003 0.000 0.243 364 M C 1.532 177.785 176.300 -0.079 0.000 1.130 364 M CA 0.473 55.810 55.300 0.061 0.000 1.055 364 M CB -0.165 32.436 32.600 0.000 0.000 1.457 364 M HN 0.456 nan 8.290 nan 0.000 0.488 365 G N 1.065 109.490 108.800 -0.624 0.000 2.184 365 G HA2 -0.199 3.759 3.960 -0.003 0.000 0.206 365 G HA3 -0.199 3.759 3.960 -0.003 0.000 0.206 365 G C 0.358 174.903 174.900 -0.592 0.000 0.995 365 G CA 0.462 44.824 45.100 -1.229 0.000 0.651 365 G HN 0.517 nan 8.290 nan 0.000 0.511 366 D N -0.535 119.668 120.400 -0.328 0.000 2.407 366 D HA 0.208 4.847 4.640 -0.003 0.000 0.208 366 D C 1.514 177.774 176.300 -0.067 0.000 1.083 366 D CA 0.782 54.689 54.000 -0.155 0.000 0.844 366 D CB 0.136 40.892 40.800 -0.073 0.000 0.967 366 D HN 0.513 nan 8.370 nan 0.000 0.506 367 Q N -0.864 118.876 119.800 -0.099 0.000 2.274 367 Q HA 0.268 4.606 4.340 -0.003 0.000 0.172 367 Q C -0.401 175.712 176.000 0.189 0.000 0.613 367 Q CA -0.140 55.689 55.803 0.044 0.000 0.789 367 Q CB 0.667 29.342 28.738 -0.106 0.000 1.125 367 Q HN 0.024 nan 8.270 nan 0.000 0.501 368 F N 1.012 120.931 119.950 -0.052 0.000 2.450 368 F HA 0.299 4.825 4.527 -0.003 0.000 0.328 368 F C 0.387 176.155 175.800 -0.054 0.000 1.068 368 F CA -1.526 56.398 58.000 -0.126 0.000 1.007 368 F CB 0.466 39.311 39.000 -0.258 0.000 1.251 368 F HN 0.061 nan 8.300 nan 0.000 0.492 369 D N -0.720 119.780 120.400 0.166 0.000 2.327 369 D HA 0.109 4.748 4.640 -0.003 0.000 0.205 369 D C 0.625 176.980 176.300 0.093 0.000 0.989 369 D CA 0.835 54.947 54.000 0.187 0.000 0.873 369 D CB 0.549 41.375 40.800 0.043 0.000 0.955 369 D HN 0.339 nan 8.370 nan 0.000 0.515 370 S N -1.158 114.512 115.700 -0.049 0.000 2.703 370 S HA 0.644 5.112 4.470 -0.003 0.000 0.273 370 S C -1.925 172.526 174.600 -0.249 0.000 1.178 370 S CA -0.525 57.571 58.200 -0.173 0.000 0.838 370 S CB 0.674 63.673 63.200 -0.334 0.000 1.178 370 S HN -0.026 nan 8.310 nan 0.000 0.494 371 V N -0.564 119.191 119.914 -0.264 0.000 3.232 371 V HA 0.640 4.758 4.120 -0.003 0.000 0.303 371 V C -0.832 175.139 176.094 -0.204 0.000 1.311 371 V CA -1.177 60.953 62.300 -0.282 0.000 1.061 371 V CB 1.818 33.553 31.823 -0.147 0.000 1.085 371 V HN 0.868 nan 8.190 nan 0.000 0.447 372 M N 2.829 122.289 119.600 -0.234 0.000 2.146 372 M HA 0.311 4.789 4.480 -0.003 0.000 0.352 372 M C -0.023 176.365 176.300 0.146 0.000 1.343 372 M CA 0.127 55.386 55.300 -0.068 0.000 1.115 372 M CB 0.133 32.488 32.600 -0.407 0.000 1.657 372 M HN 0.807 nan 8.290 nan 0.000 0.471 373 N N 2.916 121.794 118.700 0.296 0.000 2.549 373 N HA -0.041 4.697 4.740 -0.003 0.000 0.267 373 N C 0.487 176.360 175.510 0.606 0.000 1.182 373 N CA 0.137 53.435 53.050 0.414 0.000 1.019 373 N CB -0.129 38.562 38.487 0.340 0.000 1.380 373 N HN 0.479 nan 8.380 nan 0.000 0.505 374 Y N 3.116 123.749 120.300 0.555 0.000 2.224 374 Y HA -0.068 4.480 4.550 -0.003 0.000 0.289 374 Y C 1.640 177.765 175.900 0.375 0.000 1.146 374 Y CA 1.501 59.963 58.100 0.603 0.000 1.182 374 Y CB -0.009 38.882 38.460 0.717 0.000 0.983 374 Y HN 0.521 nan 8.280 nan 0.000 0.524 375 L N -0.747 120.709 121.223 0.388 0.000 2.275 375 L HA -0.155 4.184 4.340 -0.003 0.000 0.215 375 L C 2.252 179.236 176.870 0.190 0.000 1.119 375 L CA 1.107 56.057 54.840 0.183 0.000 0.790 375 L CB -0.475 41.729 42.059 0.242 0.000 0.919 375 L HN 0.407 nan 8.230 nan 0.000 0.443 376 F N 0.444 120.492 119.950 0.164 0.000 2.163 376 F HA -0.222 4.304 4.527 -0.002 0.000 0.297 376 F C 2.727 178.642 175.800 0.192 0.000 1.094 376 F CA 1.490 59.598 58.000 0.180 0.000 1.290 376 F CB -0.107 39.014 39.000 0.202 0.000 1.017 376 F HN -0.119 nan 8.300 nan 0.000 0.483 377 R N 0.627 121.178 120.500 0.085 0.000 2.066 377 R HA -0.155 4.183 4.340 -0.003 0.000 0.232 377 R C 2.159 178.411 176.300 -0.081 0.000 1.131 377 R CA 2.013 58.092 56.100 -0.035 0.000 0.955 377 R CB -0.464 29.918 30.300 0.137 0.000 0.851 377 R HN 0.400 nan 8.270 nan 0.000 0.432 378 E N 0.026 120.119 120.200 -0.178 0.000 2.058 378 E HA -0.177 4.172 4.350 -0.003 0.000 0.194 378 E C 2.058 178.625 176.600 -0.055 0.000 0.997 378 E CA 1.793 58.076 56.400 -0.195 0.000 0.801 378 E CB -0.032 29.473 29.700 -0.325 0.000 0.746 378 E HN 0.349 nan 8.360 nan 0.000 0.450 379 S N 0.695 116.391 115.700 -0.007 0.000 2.368 379 S HA -0.149 4.320 4.470 -0.003 0.000 0.225 379 S C 2.431 177.160 174.600 0.214 0.000 1.030 379 S CA 1.452 59.729 58.200 0.127 0.000 0.999 379 S CB -0.348 62.944 63.200 0.154 0.000 0.844 379 S HN 0.286 nan 8.310 nan 0.000 0.459 380 V N 0.514 120.496 119.914 0.113 0.000 2.358 380 V HA -0.049 4.069 4.120 -0.003 0.000 0.246 380 V C 1.970 178.250 176.094 0.309 0.000 1.047 380 V CA 1.220 63.663 62.300 0.238 0.000 1.035 380 V CB -0.986 30.817 31.823 -0.032 0.000 0.658 380 V HN 0.391 nan 8.190 nan 0.000 0.452 381 I N 0.200 120.882 120.570 0.186 0.000 2.142 381 I HA -0.189 3.979 4.170 -0.003 0.000 0.240 381 I C 3.152 179.259 176.117 -0.016 0.000 1.078 381 I CA 1.949 63.263 61.300 0.023 0.000 1.343 381 I CB -0.419 37.556 38.000 -0.042 0.000 1.046 381 I HN 0.205 nan 8.210 nan 0.000 0.405 382 R N -0.182 120.320 120.500 0.003 0.000 2.105 382 R HA -0.216 4.122 4.340 -0.003 0.000 0.239 382 R C 2.267 178.566 176.300 -0.001 0.000 1.135 382 R CA 1.669 57.764 56.100 -0.007 0.000 0.967 382 R CB -0.470 29.832 30.300 0.005 0.000 0.861 382 R HN 0.306 nan 8.270 nan 0.000 0.442 383 F N 0.156 119.984 119.950 -0.203 0.000 2.147 383 F HA 0.013 4.538 4.527 -0.003 0.000 0.291 383 F C 1.634 177.174 175.800 -0.434 0.000 1.093 383 F CA 0.974 58.690 58.000 -0.473 0.000 1.263 383 F CB -0.302 38.008 39.000 -1.151 0.000 1.036 383 F HN -0.211 nan 8.300 nan 0.000 0.481 384 F N -0.004 119.635 119.950 -0.519 0.000 2.220 384 F HA 0.209 4.734 4.527 -0.003 0.000 0.290 384 F C 2.449 178.090 175.800 -0.265 0.000 1.080 384 F CA 1.034 58.758 58.000 -0.459 0.000 1.318 384 F CB -1.276 37.624 39.000 -0.166 0.000 1.063 384 F HN 0.034 nan 8.300 nan 0.000 0.498 385 A N 0.269 123.050 122.820 -0.066 0.000 1.831 385 A HA -0.094 4.224 4.320 -0.003 0.000 0.213 385 A C 2.197 179.697 177.584 -0.141 0.000 1.223 385 A CA 2.183 54.108 52.037 -0.188 0.000 0.604 385 A CB -1.351 17.407 19.000 -0.404 0.000 0.878 385 A HN 0.334 nan 8.150 nan 0.000 0.450 386 T N -2.382 112.094 114.554 -0.130 0.000 2.896 386 T HA 0.344 4.692 4.350 -0.003 0.000 0.263 386 T C 1.485 176.135 174.700 -0.084 0.000 1.050 386 T CA 1.188 63.230 62.100 -0.096 0.000 1.140 386 T CB -0.471 68.350 68.868 -0.079 0.000 0.877 386 T HN 1.763 nan 8.240 nan 0.000 0.457 387 G N 1.885 110.623 108.800 -0.104 0.000 2.160 387 G HA2 -0.264 3.695 3.960 -0.003 0.000 0.244 387 G HA3 -0.264 3.695 3.960 -0.003 0.000 0.244 387 G C 0.493 175.368 174.900 -0.041 0.000 1.022 387 G CA 0.338 45.378 45.100 -0.099 0.000 0.741 387 G HN 0.593 nan 8.290 nan 0.000 0.508 388 E N -0.627 119.553 120.200 -0.032 0.000 2.274 388 E HA 0.114 4.463 4.350 -0.003 0.000 0.194 388 E C 1.521 178.128 176.600 0.012 0.000 0.996 388 E CA 1.117 57.511 56.400 -0.010 0.000 0.840 388 E CB 0.149 29.839 29.700 -0.016 0.000 0.772 388 E HN 0.936 nan 8.360 nan 0.000 0.491 389 I N -1.474 119.104 120.570 0.014 0.000 2.730 389 I HA 0.405 4.573 4.170 -0.003 0.000 0.298 389 I C -0.305 175.842 176.117 0.051 0.000 1.089 389 I CA -1.407 59.886 61.300 -0.011 0.000 1.041 389 I CB 1.658 39.620 38.000 -0.064 0.000 1.235 389 I HN -0.148 nan 8.210 nan 0.000 0.423 390 H N 3.397 122.499 119.070 0.053 0.000 2.497 390 H HA 0.745 5.299 4.556 -0.003 0.000 0.348 390 H C 1.113 176.460 175.328 0.032 0.000 1.335 390 H CA -0.287 55.806 56.048 0.074 0.000 1.395 390 H CB 0.801 30.569 29.762 0.011 0.000 1.658 390 H HN 0.729 nan 8.280 nan 0.000 0.613 391 A N 0.391 123.287 122.820 0.128 0.000 1.892 391 A HA -0.261 4.057 4.320 -0.003 0.000 0.218 391 A C 1.981 179.393 177.584 -0.287 0.000 1.188 391 A CA 2.057 53.994 52.037 -0.166 0.000 0.631 391 A CB -1.003 18.033 19.000 0.060 0.000 0.822 391 A HN 0.893 nan 8.150 nan 0.000 0.447 392 E N -1.104 119.045 120.200 -0.084 0.000 2.106 392 E HA -0.220 4.128 4.350 -0.003 0.000 0.192 392 E C 2.265 178.693 176.600 -0.286 0.000 0.984 392 E CA 1.186 57.505 56.400 -0.134 0.000 0.806 392 E CB -0.184 29.554 29.700 0.063 0.000 0.750 392 E HN 0.506 nan 8.360 nan 0.000 0.458 393 R N 1.357 121.537 120.500 -0.534 0.000 2.073 393 R HA -0.162 4.176 4.340 -0.003 0.000 0.234 393 R C 1.915 178.010 176.300 -0.342 0.000 1.134 393 R CA 1.484 57.303 56.100 -0.469 0.000 0.952 393 R CB -1.082 28.795 30.300 -0.705 0.000 0.850 393 R HN 0.269 nan 8.270 nan 0.000 0.433 394 F N 0.944 120.522 119.950 -0.620 0.000 2.095 394 F HA -0.228 4.298 4.527 -0.003 0.000 0.298 394 F C 1.928 177.304 175.800 -0.707 0.000 1.104 394 F CA 2.057 59.627 58.000 -0.718 0.000 1.232 394 F CB -0.458 37.748 39.000 -1.323 0.000 0.987 394 F HN 0.262 nan 8.300 nan 0.000 0.475 395 D N 0.504 120.376 120.400 -0.879 0.000 2.116 395 D HA -0.254 4.384 4.640 -0.003 0.000 0.193 395 D C 2.202 178.187 176.300 -0.525 0.000 0.998 395 D CA 1.765 55.199 54.000 -0.943 0.000 0.836 395 D CB -0.403 40.007 40.800 -0.651 0.000 0.951 395 D HN 0.350 nan 8.370 nan 0.000 0.449 396 A N 0.524 123.140 122.820 -0.340 0.000 1.865 396 A HA -0.224 4.095 4.320 -0.003 0.000 0.217 396 A C 2.160 179.642 177.584 -0.171 0.000 1.191 396 A CA 1.846 53.781 52.037 -0.170 0.000 0.623 396 A CB -0.781 18.155 19.000 -0.106 0.000 0.826 396 A HN 0.370 nan 8.150 nan 0.000 0.444 397 E N -0.535 119.527 120.200 -0.230 0.000 2.097 397 E HA -0.228 4.120 4.350 -0.003 0.000 0.196 397 E C 1.941 178.422 176.600 -0.199 0.000 1.000 397 E CA 1.516 57.813 56.400 -0.171 0.000 0.804 397 E CB -0.362 29.255 29.700 -0.138 0.000 0.740 397 E HN 0.536 nan 8.360 nan 0.000 0.454 398 L N 0.513 121.510 121.223 -0.377 0.000 2.023 398 L HA -0.133 4.206 4.340 -0.003 0.000 0.205 398 L C 2.574 179.371 176.870 -0.122 0.000 1.073 398 L CA 1.657 56.340 54.840 -0.261 0.000 0.745 398 L CB -0.964 40.807 42.059 -0.480 0.000 0.900 398 L HN 0.040 nan 8.230 nan 0.000 0.435 399 T N -0.651 113.814 114.554 -0.148 0.000 2.737 399 T HA -0.286 4.063 4.350 -0.003 0.000 0.269 399 T C 2.020 176.628 174.700 -0.153 0.000 1.040 399 T CA 1.584 63.624 62.100 -0.101 0.000 1.142 399 T CB -0.297 68.553 68.868 -0.031 0.000 0.861 399 T HN 0.252 nan 8.240 nan 0.000 0.456 400 R N 0.962 121.423 120.500 -0.065 0.000 2.070 400 R HA -0.073 4.265 4.340 -0.003 0.000 0.232 400 R C 2.687 178.920 176.300 -0.112 0.000 1.138 400 R CA 1.620 57.711 56.100 -0.016 0.000 0.936 400 R CB -0.549 29.790 30.300 0.066 0.000 0.839 400 R HN 0.396 nan 8.270 nan 0.000 0.429 401 A N 1.429 124.184 122.820 -0.108 0.000 1.873 401 A HA -0.205 4.114 4.320 -0.003 0.000 0.215 401 A C 2.186 179.581 177.584 -0.315 0.000 1.186 401 A CA 1.568 53.494 52.037 -0.186 0.000 0.616 401 A CB -0.659 18.277 19.000 -0.106 0.000 0.823 401 A HN 0.513 nan 8.150 nan 0.000 0.442 402 R N -1.090 119.286 120.500 -0.208 0.000 2.185 402 R HA -0.138 4.201 4.340 -0.003 0.000 0.247 402 R C 1.417 177.548 176.300 -0.280 0.000 1.159 402 R CA 1.935 57.907 56.100 -0.213 0.000 0.988 402 R CB -0.261 29.970 30.300 -0.115 0.000 0.871 402 R HN 0.380 nan 8.270 nan 0.000 0.458 403 M N 0.040 119.440 119.600 -0.335 0.000 2.561 403 M HA 0.013 4.492 4.480 -0.003 0.000 0.238 403 M C 1.243 177.395 176.300 -0.246 0.000 1.131 403 M CA 0.384 55.459 55.300 -0.374 0.000 1.046 403 M CB -0.038 32.159 32.600 -0.672 0.000 1.532 403 M HN 0.188 nan 8.290 nan 0.000 0.497 404 L N -1.048 120.025 121.223 -0.250 0.000 2.179 404 L HA 0.002 4.341 4.340 -0.003 0.000 0.208 404 L C 0.619 177.608 176.870 0.198 0.000 1.096 404 L CA 1.262 56.048 54.840 -0.090 0.000 0.779 404 L CB -0.482 41.414 42.059 -0.270 0.000 0.922 404 L HN 0.178 nan 8.230 nan 0.000 0.443 405 Y N -1.890 118.396 120.300 -0.023 0.000 2.621 405 Y HA 0.452 5.000 4.550 -0.003 0.000 0.334 405 Y C -2.022 173.794 175.900 -0.140 0.000 1.074 405 Y CA -3.198 54.874 58.100 -0.047 0.000 1.149 405 Y CB 0.387 38.815 38.460 -0.053 0.000 1.302 405 Y HN -0.242 nan 8.280 nan 0.000 0.501 406 P HA 0.009 nan 4.420 nan 0.000 0.272 406 P C 0.277 177.314 177.300 -0.438 0.000 1.223 406 P CA -0.057 62.705 63.100 -0.565 0.000 0.784 406 P CB 0.619 31.638 31.700 -1.136 0.000 0.923 407 E N 1.307 121.315 120.200 -0.321 0.000 2.169 407 E HA -0.368 3.980 4.350 -0.003 0.000 0.202 407 E C 1.189 177.588 176.600 -0.336 0.000 1.016 407 E CA 1.512 57.789 56.400 -0.204 0.000 0.817 407 E CB -0.655 29.016 29.700 -0.049 0.000 0.736 407 E HN 0.345 nan 8.360 nan 0.000 0.462 408 Q N 0.591 120.060 119.800 -0.551 0.000 2.197 408 Q HA -0.123 4.215 4.340 -0.003 0.000 0.207 408 Q C 2.063 177.624 176.000 -0.733 0.000 0.984 408 Q CA 2.244 57.603 55.803 -0.741 0.000 0.869 408 Q CB -0.246 27.697 28.738 -1.324 0.000 0.906 408 Q HN 0.538 nan 8.270 nan 0.000 0.426 409 A N -0.218 122.243 122.820 -0.599 0.000 1.887 409 A HA 0.180 4.498 4.320 -0.003 0.000 0.212 409 A C 2.194 179.715 177.584 -0.106 0.000 1.198 409 A CA 0.990 52.851 52.037 -0.294 0.000 0.628 409 A CB -0.870 18.069 19.000 -0.102 0.000 0.847 409 A HN 0.346 nan 8.150 nan 0.000 0.449 410 A N -0.979 121.790 122.820 -0.084 0.000 1.978 410 A HA -0.227 4.092 4.320 -0.003 0.000 0.220 410 A C 2.106 179.597 177.584 -0.154 0.000 1.170 410 A CA 1.704 53.687 52.037 -0.091 0.000 0.636 410 A CB -0.510 18.404 19.000 -0.144 0.000 0.810 410 A HN 0.534 nan 8.150 nan 0.000 0.448 411 Q N -1.269 118.417 119.800 -0.189 0.000 2.297 411 Q HA -0.081 4.257 4.340 -0.003 0.000 0.204 411 Q C 1.638 177.540 176.000 -0.163 0.000 0.962 411 Q CA 1.250 56.940 55.803 -0.188 0.000 0.879 411 Q CB -0.077 28.546 28.738 -0.192 0.000 0.947 411 Q HN 0.662 nan 8.270 nan 0.000 0.462 412 G N -0.646 108.064 108.800 -0.151 0.000 3.228 412 G HA2 0.222 4.181 3.960 -0.003 0.000 0.245 412 G HA3 0.222 4.181 3.960 -0.003 0.000 0.245 412 G C 0.322 175.203 174.900 -0.030 0.000 1.051 412 G CA -0.344 44.691 45.100 -0.108 0.000 0.809 412 G HN 0.071 nan 8.290 nan 0.000 0.531 413 L N 0.772 121.980 121.223 -0.024 0.000 2.525 413 L HA 0.110 4.448 4.340 -0.003 0.000 0.278 413 L C 0.069 177.019 176.870 0.133 0.000 1.218 413 L CA -0.625 54.238 54.840 0.039 0.000 0.878 413 L CB 0.475 42.577 42.059 0.072 0.000 1.127 413 L HN 0.106 nan 8.230 nan 0.000 0.492 414 W N 3.485 124.717 121.300 -0.114 0.000 2.497 414 W HA 0.149 4.807 4.660 -0.003 0.000 0.354 414 W C 0.127 176.573 176.519 -0.121 0.000 1.111 414 W CA -0.881 56.392 57.345 -0.120 0.000 1.510 414 W CB -0.655 28.737 29.460 -0.113 0.000 1.466 414 W HN 0.372 nan 8.180 nan 0.000 0.409 415 N N 4.896 123.518 118.700 -0.129 0.000 2.439 415 N HA 0.194 4.932 4.740 -0.003 0.000 0.243 415 N C -0.132 175.287 175.510 -0.152 0.000 1.088 415 N CA -0.090 52.654 53.050 -0.510 0.000 0.940 415 N CB 0.343 37.980 38.487 -1.415 0.000 1.180 415 N HN 0.327 nan 8.380 nan 0.000 0.505 416 L N -1.011 120.370 121.223 0.264 0.000 2.365 416 L HA 0.590 4.928 4.340 -0.003 0.000 0.267 416 L C 0.450 177.568 176.870 0.413 0.000 1.033 416 L CA -0.879 54.148 54.840 0.311 0.000 0.802 416 L CB 1.240 43.488 42.059 0.315 0.000 1.267 416 L HN 0.211 nan 8.230 nan 0.000 0.457 417 L N -0.689 120.638 121.223 0.173 0.000 2.500 417 L HA 0.286 4.624 4.340 -0.003 0.000 0.219 417 L C -0.024 176.961 176.870 0.192 0.000 1.057 417 L CA 0.196 54.989 54.840 -0.078 0.000 0.854 417 L CB 0.077 41.793 42.059 -0.571 0.000 1.078 417 L HN 0.871 nan 8.230 nan 0.000 0.480 418 D N -1.320 119.204 120.400 0.208 0.000 2.768 418 D HA 0.455 5.093 4.640 -0.003 0.000 0.327 418 D C -0.837 175.489 176.300 0.044 0.000 1.302 418 D CA -0.166 53.933 54.000 0.165 0.000 0.897 418 D CB 1.860 42.786 40.800 0.211 0.000 1.420 418 D HN -0.028 nan 8.370 nan 0.000 0.494 419 S N -1.759 113.800 115.700 -0.235 0.000 2.724 419 S HA 0.220 4.689 4.470 -0.003 0.000 0.278 419 S C 0.566 174.630 174.600 -0.894 0.000 1.190 419 S CA -0.631 57.271 58.200 -0.497 0.000 0.860 419 S CB 0.684 63.900 63.200 0.027 0.000 1.206 419 S HN 0.753 nan 8.310 nan 0.000 0.507 420 H N 0.220 118.896 119.070 -0.657 0.000 2.563 420 H HA 0.238 4.793 4.556 -0.003 0.000 0.272 420 H C -0.387 174.819 175.328 -0.203 0.000 1.005 420 H CA 0.860 56.636 56.048 -0.452 0.000 1.171 420 H CB -0.474 29.038 29.762 -0.417 0.000 1.351 420 H HN 0.594 nan 8.280 nan 0.000 0.602 421 D N 1.409 121.603 120.400 -0.344 0.000 2.433 421 D HA 0.061 4.699 4.640 -0.003 0.000 0.211 421 D C 0.650 176.863 176.300 -0.145 0.000 1.114 421 D CA 0.354 54.239 54.000 -0.191 0.000 0.837 421 D CB 1.059 41.779 40.800 -0.133 0.000 0.984 421 D HN 0.492 nan 8.370 nan 0.000 0.505 422 T N -1.752 112.710 114.554 -0.155 0.000 2.907 422 T HA 0.459 4.807 4.350 -0.003 0.000 0.290 422 T C -0.000 174.667 174.700 -0.055 0.000 1.066 422 T CA -0.961 61.075 62.100 -0.106 0.000 1.012 422 T CB 2.601 71.414 68.868 -0.093 0.000 1.184 422 T HN -0.001 nan 8.240 nan 0.000 0.522 423 E N 0.729 120.915 120.200 -0.023 0.000 2.374 423 E HA 0.286 4.635 4.350 -0.003 0.000 0.260 423 E C -0.341 176.292 176.600 0.056 0.000 1.101 423 E CA -1.041 55.361 56.400 0.003 0.000 0.907 423 E CB 0.680 30.370 29.700 -0.017 0.000 1.014 423 E HN 0.350 nan 8.360 nan 0.000 0.427 424 R N 1.305 121.850 120.500 0.075 0.000 2.570 424 R HA 0.006 4.344 4.340 -0.003 0.000 0.277 424 R C 0.681 177.094 176.300 0.188 0.000 1.039 424 R CA 0.056 56.246 56.100 0.150 0.000 1.065 424 R CB 0.027 30.371 30.300 0.074 0.000 0.964 424 R HN 0.687 nan 8.270 nan 0.000 0.428 425 F N 2.286 122.335 119.950 0.164 0.000 2.126 425 F HA -0.268 4.258 4.527 -0.002 0.000 0.299 425 F C 2.117 178.048 175.800 0.218 0.000 1.096 425 F CA 1.523 59.652 58.000 0.215 0.000 1.255 425 F CB -0.189 39.019 39.000 0.347 0.000 0.997 425 F HN 0.515 nan 8.300 nan 0.000 0.479 426 L N -0.204 121.206 121.223 0.313 0.000 2.013 426 L HA -0.266 4.072 4.340 -0.003 0.000 0.212 426 L C 2.274 179.119 176.870 -0.041 0.000 1.073 426 L CA 2.511 57.351 54.840 0.001 0.000 0.753 426 L CB -1.166 40.702 42.059 -0.318 0.000 0.890 426 L HN 0.133 nan 8.230 nan 0.000 0.432 427 T N -1.323 113.205 114.554 -0.042 0.000 2.821 427 T HA -0.113 4.235 4.350 -0.003 0.000 0.267 427 T C 1.925 176.569 174.700 -0.093 0.000 1.046 427 T CA 1.411 63.473 62.100 -0.064 0.000 1.139 427 T CB -0.225 68.615 68.868 -0.046 0.000 0.871 427 T HN 0.398 nan 8.240 nan 0.000 0.454 428 S N 0.556 116.175 115.700 -0.135 0.000 2.423 428 S HA -0.076 4.392 4.470 -0.003 0.000 0.231 428 S C 1.920 176.376 174.600 -0.240 0.000 1.014 428 S CA 0.603 58.672 58.200 -0.217 0.000 0.965 428 S CB -0.363 62.619 63.200 -0.364 0.000 0.785 428 S HN 0.573 nan 8.310 nan 0.000 0.495 429 C N 1.386 120.555 119.300 -0.219 0.000 2.613 429 C HA 0.458 4.917 4.460 -0.003 0.000 0.273 429 C C 1.860 176.790 174.990 -0.100 0.000 1.304 429 C CA -0.365 58.561 59.018 -0.152 0.000 1.702 429 C CB -1.487 26.214 27.740 -0.064 0.000 1.792 429 C HN 0.711 nan 8.230 nan 0.000 0.588 430 G N 0.584 109.326 108.800 -0.096 0.000 2.198 430 G HA2 0.031 3.990 3.960 -0.003 0.000 0.260 430 G HA3 0.031 3.990 3.960 -0.003 0.000 0.260 430 G C 0.959 175.813 174.900 -0.077 0.000 1.025 430 G CA 0.527 45.579 45.100 -0.080 0.000 0.769 430 G HN 1.487 nan 8.290 nan 0.000 0.507 431 G N -0.934 107.818 108.800 -0.080 0.000 2.184 431 G HA2 -0.355 3.603 3.960 -0.003 0.000 0.264 431 G HA3 -0.355 3.603 3.960 -0.003 0.000 0.264 431 G C 0.373 175.222 174.900 -0.085 0.000 0.975 431 G CA 0.786 45.834 45.100 -0.087 0.000 0.642 431 G HN 1.443 nan 8.290 nan 0.000 0.536 432 N N 1.137 119.789 118.700 -0.079 0.000 2.406 432 N HA 0.126 4.864 4.740 -0.003 0.000 0.269 432 N C 1.253 176.735 175.510 -0.047 0.000 1.210 432 N CA 0.659 53.650 53.050 -0.099 0.000 0.966 432 N CB 0.411 38.809 38.487 -0.148 0.000 1.293 432 N HN 0.650 nan 8.380 nan 0.000 0.491 433 E N 3.088 123.257 120.200 -0.052 0.000 2.204 433 E HA -0.176 4.172 4.350 -0.003 0.000 0.195 433 E C 1.430 178.057 176.600 0.046 0.000 0.990 433 E CA 0.990 57.398 56.400 0.012 0.000 0.821 433 E CB 0.188 29.869 29.700 -0.031 0.000 0.750 433 E HN 0.712 nan 8.360 nan 0.000 0.477 434 A N 1.345 124.116 122.820 -0.081 0.000 1.877 434 A HA -0.201 4.117 4.320 -0.003 0.000 0.216 434 A C 1.988 179.538 177.584 -0.056 0.000 1.186 434 A CA 1.626 53.582 52.037 -0.136 0.000 0.620 434 A CB -0.269 18.509 19.000 -0.370 0.000 0.822 434 A HN 0.139 nan 8.150 nan 0.000 0.443 435 K N -1.586 118.749 120.400 -0.108 0.000 2.097 435 K HA -0.053 4.266 4.320 -0.003 0.000 0.205 435 K C 1.806 178.555 176.600 0.249 0.000 1.050 435 K CA 1.351 57.712 56.287 0.123 0.000 0.938 435 K CB -0.339 32.201 32.500 0.067 0.000 0.718 435 K HN 0.469 nan 8.250 nan 0.000 0.442 436 F N 2.626 122.640 119.950 0.106 0.000 2.069 436 F HA -0.206 4.320 4.527 -0.003 0.000 0.298 436 F C 2.192 178.083 175.800 0.153 0.000 1.113 436 F CA 1.513 59.631 58.000 0.196 0.000 1.214 436 F CB -0.022 39.081 39.000 0.171 0.000 0.978 436 F HN -0.141 nan 8.300 nan 0.000 0.474 437 R N 0.225 120.863 120.500 0.230 0.000 2.127 437 R HA -0.188 4.151 4.340 -0.003 0.000 0.238 437 R C 2.397 178.805 176.300 0.180 0.000 1.134 437 R CA 1.574 57.773 56.100 0.166 0.000 0.975 437 R CB -0.852 29.389 30.300 -0.100 0.000 0.865 437 R HN 0.424 nan 8.270 nan 0.000 0.447 438 L N 0.204 121.519 121.223 0.153 0.000 2.056 438 L HA -0.145 4.193 4.340 -0.003 0.000 0.207 438 L C 2.438 179.247 176.870 -0.103 0.000 1.078 438 L CA 1.282 56.251 54.840 0.215 0.000 0.749 438 L CB -0.376 41.959 42.059 0.461 0.000 0.901 438 L HN 0.206 nan 8.230 nan 0.000 0.433 439 A N -0.541 121.969 122.820 -0.517 0.000 1.898 439 A HA -0.176 4.142 4.320 -0.003 0.000 0.216 439 A C 2.207 179.518 177.584 -0.456 0.000 1.181 439 A CA 1.677 53.153 52.037 -0.936 0.000 0.620 439 A CB -0.920 17.598 19.000 -0.803 0.000 0.819 439 A HN 0.416 nan 8.150 nan 0.000 0.442 440 V N -1.004 118.617 119.914 -0.488 0.000 2.515 440 V HA -0.173 3.945 4.120 -0.003 0.000 0.250 440 V C 2.205 178.098 176.094 -0.335 0.000 1.058 440 V CA 1.983 63.996 62.300 -0.479 0.000 1.064 440 V CB -0.817 30.594 31.823 -0.687 0.000 0.675 440 V HN 0.521 nan 8.190 nan 0.000 0.461 441 L N -0.568 120.562 121.223 -0.155 0.000 2.027 441 L HA -0.055 4.283 4.340 -0.003 0.000 0.206 441 L C 2.434 179.345 176.870 0.069 0.000 1.074 441 L CA 2.522 57.304 54.840 -0.096 0.000 0.745 441 L CB -0.519 41.617 42.059 0.128 0.000 0.898 441 L HN 0.397 nan 8.230 nan 0.000 0.433 442 F N 0.639 120.616 119.950 0.045 0.000 2.095 442 F HA -0.330 4.196 4.527 -0.003 0.000 0.298 442 F C 2.711 178.627 175.800 0.194 0.000 1.104 442 F CA 2.096 60.230 58.000 0.224 0.000 1.232 442 F CB -0.298 38.861 39.000 0.266 0.000 0.987 442 F HN 0.268 nan 8.300 nan 0.000 0.475 443 Q N -0.118 119.623 119.800 -0.097 0.000 2.173 443 Q HA -0.257 4.081 4.340 -0.003 0.000 0.208 443 Q C 1.904 177.786 176.000 -0.197 0.000 0.989 443 Q CA 2.000 57.724 55.803 -0.131 0.000 0.872 443 Q CB -0.116 28.584 28.738 -0.062 0.000 0.909 443 Q HN 0.410 nan 8.270 nan 0.000 0.420 444 M N -0.214 119.287 119.600 -0.164 0.000 2.506 444 M HA -0.013 4.465 4.480 -0.003 0.000 0.260 444 M C 1.663 177.923 176.300 -0.067 0.000 1.104 444 M CA 1.359 56.574 55.300 -0.141 0.000 1.112 444 M CB -0.236 32.238 32.600 -0.210 0.000 1.401 444 M HN 0.336 nan 8.290 nan 0.000 0.473 445 T N -4.260 110.299 114.554 0.008 0.000 3.010 445 T HA 0.102 4.450 4.350 -0.003 0.000 0.257 445 T C 0.405 175.250 174.700 0.241 0.000 1.020 445 T CA -0.310 61.894 62.100 0.173 0.000 0.938 445 T CB -0.082 68.999 68.868 0.356 0.000 1.049 445 T HN 0.096 nan 8.240 nan 0.000 0.522 446 Y N 1.824 121.982 120.300 -0.237 0.000 2.295 446 Y HA 0.560 5.109 4.550 -0.002 0.000 0.331 446 Y C 0.201 175.955 175.900 -0.245 0.000 1.311 446 Y CA -2.503 55.364 58.100 -0.388 0.000 1.430 446 Y CB 0.470 38.418 38.460 -0.853 0.000 1.339 446 Y HN 0.104 nan 8.280 nan 0.000 0.552 447 L N 3.142 123.772 121.223 -0.989 0.000 2.513 447 L HA 0.433 4.771 4.340 -0.003 0.000 0.272 447 L C 0.186 176.777 176.870 -0.465 0.000 1.187 447 L CA 1.402 55.838 54.840 -0.673 0.000 0.895 447 L CB -0.615 40.967 42.059 -0.796 0.000 1.147 447 L HN 0.818 nan 8.230 nan 0.000 0.483 448 G N 2.471 111.097 108.800 -0.289 0.000 2.355 448 G HA2 0.169 4.127 3.960 -0.003 0.000 0.619 448 G HA3 0.169 4.127 3.960 -0.003 0.000 0.619 448 G C -0.631 174.165 174.900 -0.175 0.000 1.337 448 G CA -0.472 44.498 45.100 -0.217 0.000 0.993 448 G HN 1.050 nan 8.290 nan 0.000 0.599 449 T N -0.111 114.378 114.554 -0.108 0.000 2.743 449 T HA 0.685 5.034 4.350 -0.003 0.000 0.292 449 T C -2.579 172.022 174.700 -0.165 0.000 0.972 449 T CA -1.639 60.403 62.100 -0.097 0.000 0.967 449 T CB 1.848 70.709 68.868 -0.011 0.000 0.926 449 T HN 0.371 nan 8.240 nan 0.000 0.459 450 P HA 0.211 nan 4.420 nan 0.000 0.268 450 P C -0.726 176.455 177.300 -0.199 0.000 1.204 450 P CA -0.489 62.512 63.100 -0.166 0.000 0.768 450 P CB 0.485 32.125 31.700 -0.100 0.000 0.842 451 L N 4.962 126.082 121.223 -0.171 0.000 2.349 451 L HA 0.504 4.842 4.340 -0.003 0.000 0.278 451 L C -0.859 175.983 176.870 -0.046 0.000 0.996 451 L CA -0.822 53.889 54.840 -0.214 0.000 0.825 451 L CB 0.840 42.747 42.059 -0.253 0.000 1.243 451 L HN 0.280 nan 8.230 nan 0.000 0.412 452 I N 4.833 125.368 120.570 -0.057 0.000 2.315 452 I HA 0.151 4.320 4.170 -0.003 0.000 0.291 452 I C -0.779 175.261 176.117 -0.129 0.000 1.006 452 I CA -0.670 60.604 61.300 -0.044 0.000 1.265 452 I CB 1.088 39.048 38.000 -0.067 0.000 1.387 452 I HN 0.475 nan 8.210 nan 0.000 0.475 453 Y N 8.816 129.040 120.300 -0.127 0.000 2.436 453 Y HA 0.119 4.667 4.550 -0.003 0.000 0.336 453 Y C 0.104 175.849 175.900 -0.258 0.000 1.049 453 Y CA -1.466 56.575 58.100 -0.098 0.000 1.294 453 Y CB 0.025 38.500 38.460 0.024 0.000 1.179 453 Y HN 0.475 nan 8.280 nan 0.000 0.520 454 Y N 5.158 124.974 120.300 -0.807 0.000 2.969 454 Y HA 0.233 4.781 4.550 -0.003 0.000 0.339 454 Y C 1.138 176.755 175.900 -0.473 0.000 1.272 454 Y CA 0.415 58.077 58.100 -0.729 0.000 1.577 454 Y CB -0.001 38.251 38.460 -0.346 0.000 1.234 454 Y HN 0.984 nan 8.280 nan 0.000 0.590 455 G N 3.045 111.634 108.800 -0.352 0.000 2.320 455 G HA2 -0.429 3.529 3.960 -0.003 0.000 0.242 455 G HA3 -0.429 3.529 3.960 -0.003 0.000 0.242 455 G C 0.703 175.425 174.900 -0.296 0.000 1.033 455 G CA 0.538 45.390 45.100 -0.412 0.000 0.620 455 G HN 0.749 nan 8.290 nan 0.000 0.517 456 D N 1.217 121.446 120.400 -0.285 0.000 2.263 456 D HA -0.037 4.601 4.640 -0.003 0.000 0.208 456 D C 2.427 178.763 176.300 0.061 0.000 0.971 456 D CA 1.619 55.589 54.000 -0.050 0.000 0.867 456 D CB 0.036 40.913 40.800 0.127 0.000 0.929 456 D HN 0.680 nan 8.370 nan 0.000 0.492 457 E N 0.790 120.933 120.200 -0.095 0.000 2.208 457 E HA -0.139 4.209 4.350 -0.003 0.000 0.193 457 E C 1.742 178.434 176.600 0.152 0.000 0.988 457 E CA 0.686 56.962 56.400 -0.207 0.000 0.828 457 E CB -0.493 28.971 29.700 -0.394 0.000 0.763 457 E HN 0.576 nan 8.360 nan 0.000 0.478 458 I N -2.902 117.729 120.570 0.101 0.000 3.891 458 I HA 0.531 4.700 4.170 -0.003 0.000 0.331 458 I C 0.878 177.003 176.117 0.013 0.000 1.406 458 I CA 0.053 61.415 61.300 0.104 0.000 1.139 458 I CB 0.305 38.331 38.000 0.043 0.000 1.056 458 I HN 0.073 nan 8.210 nan 0.000 0.399 459 G N 1.883 110.664 108.800 -0.032 0.000 2.149 459 G HA2 -0.241 3.718 3.960 -0.003 0.000 0.235 459 G HA3 -0.241 3.718 3.960 -0.003 0.000 0.235 459 G C 0.040 174.830 174.900 -0.183 0.000 1.018 459 G CA -0.118 44.895 45.100 -0.145 0.000 0.728 459 G HN 0.429 nan 8.290 nan 0.000 0.508 460 M N 0.280 119.764 119.600 -0.193 0.000 2.243 460 M HA 0.537 5.015 4.480 -0.003 0.000 0.341 460 M C 0.699 176.886 176.300 -0.187 0.000 1.130 460 M CA 0.845 56.019 55.300 -0.210 0.000 1.162 460 M CB 1.181 33.605 32.600 -0.293 0.000 1.497 460 M HN 0.601 nan 8.290 nan 0.000 0.456 461 A N 1.412 124.140 122.820 -0.155 0.000 2.437 461 A HA 1.049 5.367 4.320 -0.003 0.000 0.292 461 A C -0.333 177.199 177.584 -0.088 0.000 1.173 461 A CA -0.223 51.745 52.037 -0.114 0.000 0.785 461 A CB 1.877 20.810 19.000 -0.112 0.000 1.351 461 A HN 0.957 nan 8.150 nan 0.000 0.431 462 G N -2.084 106.683 108.800 -0.054 0.000 2.347 462 G HA2 0.635 4.593 3.960 -0.003 0.000 0.303 462 G HA3 0.635 4.593 3.960 -0.003 0.000 0.303 462 G C -0.468 174.421 174.900 -0.019 0.000 1.481 462 G CA 0.211 45.286 45.100 -0.041 0.000 0.914 462 G HN 1.861 nan 8.290 nan 0.000 0.638 463 A N -0.152 122.658 122.820 -0.017 0.000 2.257 463 A HA 0.902 5.220 4.320 -0.003 0.000 0.290 463 A C 1.241 178.824 177.584 -0.002 0.000 1.201 463 A CA 0.814 52.844 52.037 -0.011 0.000 0.863 463 A CB 0.470 19.465 19.000 -0.008 0.000 1.256 463 A HN 2.067 nan 8.150 nan 0.000 0.506 464 T N -0.772 113.780 114.554 -0.003 0.000 2.640 464 T HA 0.083 4.432 4.350 -0.003 0.000 0.316 464 T C 0.335 175.043 174.700 0.014 0.000 1.036 464 T CA 0.211 62.309 62.100 -0.003 0.000 1.009 464 T CB -0.107 68.758 68.868 -0.005 0.000 1.017 464 T HN 0.678 nan 8.240 nan 0.000 0.530 465 D N 1.267 121.677 120.400 0.016 0.000 2.658 465 D HA -0.003 4.635 4.640 -0.003 0.000 0.230 465 D C -1.432 174.909 176.300 0.069 0.000 1.118 465 D CA -1.081 52.934 54.000 0.026 0.000 0.848 465 D CB 0.977 41.811 40.800 0.056 0.000 1.160 465 D HN 0.398 nan 8.370 nan 0.000 0.497 466 P HA 0.111 nan 4.420 nan 0.000 0.272 466 P C 0.384 177.663 177.300 -0.035 0.000 1.408 466 P CA -0.114 62.930 63.100 -0.094 0.000 0.996 466 P CB 0.474 32.017 31.700 -0.261 0.000 1.481 467 D N 0.396 120.790 120.400 -0.010 0.000 2.351 467 D HA -0.126 4.512 4.640 -0.003 0.000 0.216 467 D C 1.484 177.775 176.300 -0.016 0.000 0.968 467 D CA 0.909 54.900 54.000 -0.015 0.000 0.899 467 D CB -0.320 40.477 40.800 -0.005 0.000 0.907 467 D HN 0.229 nan 8.370 nan 0.000 0.514 468 C N -1.336 117.970 119.300 0.010 0.000 2.697 468 C HA 0.352 4.811 4.460 -0.003 0.000 0.267 468 C C 1.475 176.543 174.990 0.130 0.000 1.278 468 C CA -0.683 58.377 59.018 0.070 0.000 1.708 468 C CB -0.961 26.825 27.740 0.076 0.000 1.860 468 C HN 0.043 nan 8.230 nan 0.000 0.589 469 R N 1.034 121.564 120.500 0.050 0.000 2.702 469 R HA 0.240 4.579 4.340 -0.003 0.000 0.314 469 R C 0.120 176.412 176.300 -0.012 0.000 1.152 469 R CA -0.304 55.843 56.100 0.079 0.000 1.097 469 R CB -0.082 30.234 30.300 0.027 0.000 1.343 469 R HN 0.525 nan 8.270 nan 0.000 0.575 470 R N 1.772 122.198 120.500 -0.123 0.000 2.679 470 R HA 0.066 4.405 4.340 -0.003 0.000 0.268 470 R C -2.282 173.770 176.300 -0.413 0.000 1.044 470 R CA -1.519 54.403 56.100 -0.296 0.000 1.105 470 R CB -0.129 30.013 30.300 -0.264 0.000 0.989 470 R HN -0.083 nan 8.270 nan 0.000 0.447 471 P HA -0.111 nan 4.420 nan 0.000 0.264 471 P C -0.122 176.761 177.300 -0.695 0.000 1.183 471 P CA 0.102 62.533 63.100 -1.115 0.000 0.763 471 P CB 0.376 31.005 31.700 -1.785 0.000 0.807 472 M N 5.228 124.552 119.600 -0.460 0.000 2.327 472 M HA 0.034 4.513 4.480 -0.003 0.000 0.353 472 M C -0.638 175.326 176.300 -0.560 0.000 1.539 472 M CA 0.645 55.660 55.300 -0.475 0.000 1.039 472 M CB -0.879 31.301 32.600 -0.701 0.000 1.967 472 M HN 0.192 nan 8.290 nan 0.000 0.459 473 I N 6.828 127.136 120.570 -0.437 0.000 2.581 473 I HA -0.100 4.068 4.170 -0.003 0.000 0.285 473 I C 0.010 176.021 176.117 -0.175 0.000 1.129 473 I CA 0.670 61.834 61.300 -0.225 0.000 1.397 473 I CB 0.150 38.049 38.000 -0.169 0.000 1.399 473 I HN 0.903 nan 8.210 nan 0.000 0.537 474 W N 3.506 124.807 121.300 0.001 0.000 3.103 474 W HA 0.137 4.796 4.660 -0.002 0.000 0.325 474 W C 0.870 177.340 176.519 -0.083 0.000 1.170 474 W CA -0.513 56.778 57.345 -0.090 0.000 1.712 474 W CB 0.703 30.112 29.460 -0.085 0.000 1.068 474 W HN 0.385 nan 8.180 nan 0.000 0.592 475 E N 2.311 122.623 120.200 0.187 0.000 2.257 475 E HA -0.068 4.281 4.350 -0.003 0.000 0.278 475 E C 1.503 178.141 176.600 0.064 0.000 1.049 475 E CA 0.223 56.683 56.400 0.100 0.000 0.876 475 E CB 1.078 30.823 29.700 0.076 0.000 1.035 475 E HN 0.287 nan 8.360 nan 0.000 0.419 476 E N 5.933 126.160 120.200 0.044 0.000 2.108 476 E HA -0.295 4.053 4.350 -0.003 0.000 0.203 476 E C 0.687 177.305 176.600 0.030 0.000 1.022 476 E CA 1.737 58.156 56.400 0.032 0.000 0.823 476 E CB -0.130 29.582 29.700 0.021 0.000 0.744 476 E HN 0.397 nan 8.360 nan 0.000 0.456 477 K N 0.371 120.787 120.400 0.027 0.000 2.097 477 K HA -0.062 4.257 4.320 -0.003 0.000 0.205 477 K C 1.989 178.600 176.600 0.018 0.000 1.050 477 K CA 1.235 57.535 56.287 0.022 0.000 0.938 477 K CB -0.031 32.480 32.500 0.019 0.000 0.718 477 K HN 0.191 nan 8.250 nan 0.000 0.442 478 E N 1.331 121.542 120.200 0.017 0.000 2.502 478 E HA -0.017 4.332 4.350 -0.003 0.000 0.194 478 E C 0.095 176.691 176.600 -0.006 0.000 1.062 478 E CA 0.436 56.837 56.400 0.003 0.000 0.867 478 E CB 0.156 29.857 29.700 0.001 0.000 0.888 478 E HN 0.428 nan 8.360 nan 0.000 0.510 479 Q N 1.089 120.894 119.800 0.008 0.000 2.256 479 Q HA 0.204 4.542 4.340 -0.003 0.000 0.257 479 Q C -0.017 176.004 176.000 0.035 0.000 0.936 479 Q CA -0.532 55.277 55.803 0.009 0.000 0.903 479 Q CB 1.103 29.848 28.738 0.011 0.000 1.263 479 Q HN -0.110 nan 8.270 nan 0.000 0.440 480 N N 2.546 121.276 118.700 0.050 0.000 2.508 480 N HA 0.008 4.747 4.740 -0.003 0.000 0.253 480 N C 0.363 175.970 175.510 0.161 0.000 1.145 480 N CA 0.093 53.193 53.050 0.083 0.000 0.973 480 N CB 0.408 38.938 38.487 0.072 0.000 1.305 480 N HN 0.472 nan 8.380 nan 0.000 0.506 481 R N 2.138 122.729 120.500 0.152 0.000 2.115 481 R HA -0.031 4.308 4.340 -0.003 0.000 0.230 481 R C 1.828 178.289 176.300 0.269 0.000 1.111 481 R CA 0.994 57.233 56.100 0.233 0.000 0.976 481 R CB -0.966 29.436 30.300 0.171 0.000 0.870 481 R HN 0.550 nan 8.270 nan 0.000 0.445 482 G N 1.872 110.781 108.800 0.180 0.000 2.469 482 G HA2 -0.234 3.725 3.960 -0.003 0.000 0.219 482 G HA3 -0.234 3.725 3.960 -0.003 0.000 0.219 482 G C 1.412 176.440 174.900 0.215 0.000 1.150 482 G CA 0.252 45.445 45.100 0.154 0.000 0.763 482 G HN 0.133 nan 8.290 nan 0.000 0.561 483 L N -0.285 121.096 121.223 0.262 0.000 2.044 483 L HA 0.164 4.502 4.340 -0.003 0.000 0.205 483 L C 2.509 179.707 176.870 0.547 0.000 1.075 483 L CA 1.428 56.506 54.840 0.396 0.000 0.747 483 L CB -1.213 41.078 42.059 0.387 0.000 0.903 483 L HN 0.323 nan 8.230 nan 0.000 0.435 484 F N 0.987 121.115 119.950 0.297 0.000 2.063 484 F HA -0.293 4.232 4.527 -0.003 0.000 0.298 484 F C 2.476 178.427 175.800 0.252 0.000 1.109 484 F CA 1.754 59.907 58.000 0.255 0.000 1.212 484 F CB 0.116 39.220 39.000 0.174 0.000 0.973 484 F HN 0.160 nan 8.300 nan 0.000 0.480 485 E N -0.054 120.285 120.200 0.232 0.000 2.204 485 E HA -0.229 4.120 4.350 -0.003 0.000 0.195 485 E C 2.015 178.692 176.600 0.128 0.000 0.990 485 E CA 1.030 57.479 56.400 0.082 0.000 0.821 485 E CB -0.672 29.119 29.700 0.152 0.000 0.750 485 E HN 0.587 nan 8.360 nan 0.000 0.477 486 F N -0.070 119.915 119.950 0.059 0.000 2.084 486 F HA -0.285 4.240 4.527 -0.003 0.000 0.296 486 F C 2.127 177.903 175.800 -0.040 0.000 1.111 486 F CA 1.131 59.143 58.000 0.019 0.000 1.224 486 F CB -0.167 38.869 39.000 0.059 0.000 0.991 486 F HN -0.023 nan 8.300 nan 0.000 0.471 487 Y N 1.057 121.343 120.300 -0.025 0.000 2.128 487 Y HA -0.282 4.267 4.550 -0.003 0.000 0.284 487 Y C 2.414 178.134 175.900 -0.301 0.000 1.154 487 Y CA 2.090 60.075 58.100 -0.193 0.000 1.149 487 Y CB -0.542 37.865 38.460 -0.088 0.000 0.976 487 Y HN -0.027 nan 8.280 nan 0.000 0.505 488 K N -0.112 120.151 120.400 -0.228 0.000 2.044 488 K HA -0.280 4.039 4.320 -0.003 0.000 0.210 488 K C 2.081 178.542 176.600 -0.231 0.000 1.049 488 K CA 1.920 58.016 56.287 -0.317 0.000 0.927 488 K CB -0.248 32.008 32.500 -0.406 0.000 0.713 488 K HN 0.393 nan 8.250 nan 0.000 0.443 489 E N 1.027 121.118 120.200 -0.181 0.000 2.017 489 E HA -0.185 4.163 4.350 -0.003 0.000 0.193 489 E C 2.066 178.531 176.600 -0.226 0.000 0.997 489 E CA 1.018 57.320 56.400 -0.162 0.000 0.804 489 E CB -0.018 29.629 29.700 -0.088 0.000 0.757 489 E HN 0.185 nan 8.360 nan 0.000 0.448 490 L N 0.885 121.917 121.223 -0.317 0.000 2.042 490 L HA -0.231 4.108 4.340 -0.003 0.000 0.210 490 L C 2.502 179.209 176.870 -0.273 0.000 1.076 490 L CA 0.625 55.261 54.840 -0.341 0.000 0.749 490 L CB -0.380 41.360 42.059 -0.532 0.000 0.893 490 L HN 0.322 nan 8.230 nan 0.000 0.432 491 I N -0.219 120.186 120.570 -0.274 0.000 2.142 491 I HA -0.285 3.884 4.170 -0.003 0.000 0.240 491 I C 2.693 178.476 176.117 -0.556 0.000 1.078 491 I CA 1.599 62.703 61.300 -0.326 0.000 1.343 491 I CB -1.134 36.694 38.000 -0.286 0.000 1.046 491 I HN 0.286 nan 8.210 nan 0.000 0.405 492 R N 0.362 120.596 120.500 -0.444 0.000 2.091 492 R HA -0.147 4.191 4.340 -0.003 0.000 0.238 492 R C 2.408 178.552 176.300 -0.259 0.000 1.136 492 R CA 1.151 57.020 56.100 -0.385 0.000 0.959 492 R CB -0.396 29.760 30.300 -0.240 0.000 0.856 492 R HN 0.327 nan 8.270 nan 0.000 0.437 493 L N 0.364 121.460 121.223 -0.211 0.000 2.131 493 L HA -0.201 4.137 4.340 -0.003 0.000 0.210 493 L C 2.766 179.565 176.870 -0.118 0.000 1.092 493 L CA 1.256 56.000 54.840 -0.160 0.000 0.759 493 L CB -0.287 41.683 42.059 -0.148 0.000 0.903 493 L HN 0.234 nan 8.230 nan 0.000 0.435 494 R N -0.787 119.654 120.500 -0.099 0.000 2.115 494 R HA -0.161 4.177 4.340 -0.003 0.000 0.230 494 R C 2.004 178.388 176.300 0.140 0.000 1.111 494 R CA 1.414 57.525 56.100 0.018 0.000 0.976 494 R CB -0.190 30.145 30.300 0.059 0.000 0.870 494 R HN 0.562 nan 8.270 nan 0.000 0.445 495 H N -1.201 117.819 119.070 -0.084 0.000 2.512 495 H HA 0.086 4.641 4.556 -0.003 0.000 0.279 495 H C 1.379 176.656 175.328 -0.085 0.000 0.999 495 H CA 0.298 56.303 56.048 -0.071 0.000 1.283 495 H CB 0.349 30.074 29.762 -0.061 0.000 1.421 495 H HN 0.144 nan 8.280 nan 0.000 0.554 496 R N 0.666 121.166 120.500 -0.000 0.000 2.317 496 R HA 0.187 4.526 4.340 -0.003 0.000 0.208 496 R C -0.379 175.832 176.300 -0.148 0.000 0.914 496 R CA 0.124 56.174 56.100 -0.083 0.000 1.060 496 R CB 0.522 30.743 30.300 -0.133 0.000 1.015 496 R HN 0.107 nan 8.270 nan 0.000 0.498 497 L N 0.010 121.164 121.223 -0.116 0.000 2.427 497 L HA 0.378 4.716 4.340 -0.003 0.000 0.264 497 L C 0.913 177.756 176.870 -0.045 0.000 0.989 497 L CA -0.475 54.287 54.840 -0.131 0.000 0.865 497 L CB 1.806 43.769 42.059 -0.160 0.000 1.209 497 L HN -0.034 nan 8.230 nan 0.000 0.430 498 A N 1.731 124.536 122.820 -0.024 0.000 1.927 498 A HA -0.239 4.080 4.320 -0.003 0.000 0.220 498 A C 2.343 179.920 177.584 -0.011 0.000 1.185 498 A CA 2.449 54.477 52.037 -0.015 0.000 0.639 498 A CB -0.500 18.496 19.000 -0.006 0.000 0.820 498 A HN 0.813 nan 8.150 nan 0.000 0.451 499 S N 0.286 115.992 115.700 0.010 0.000 2.387 499 S HA -0.144 4.324 4.470 -0.003 0.000 0.230 499 S C 1.689 176.292 174.600 0.006 0.000 1.035 499 S CA 1.600 59.806 58.200 0.010 0.000 1.014 499 S CB -0.830 62.398 63.200 0.046 0.000 0.836 499 S HN 0.492 nan 8.310 nan 0.000 0.466 500 L N 1.844 123.073 121.223 0.010 0.000 2.549 500 L HA 0.010 4.348 4.340 -0.003 0.000 0.229 500 L C 2.731 179.589 176.870 -0.020 0.000 1.158 500 L CA 1.377 56.223 54.840 0.010 0.000 0.842 500 L CB -0.947 41.120 42.059 0.013 0.000 0.952 500 L HN 0.711 nan 8.230 nan 0.000 0.452 501 T N -4.486 110.048 114.554 -0.034 0.000 2.964 501 T HA 0.097 4.445 4.350 -0.003 0.000 0.249 501 T C 1.714 176.369 174.700 -0.074 0.000 1.000 501 T CA -0.250 61.815 62.100 -0.058 0.000 0.992 501 T CB 0.317 69.148 68.868 -0.062 0.000 1.087 501 T HN 0.167 nan 8.240 nan 0.000 0.489 502 R N 0.523 120.985 120.500 -0.063 0.000 2.531 502 R HA 0.433 4.771 4.340 -0.003 0.000 0.316 502 R C 1.095 177.354 176.300 -0.068 0.000 0.955 502 R CA -0.090 55.968 56.100 -0.070 0.000 1.120 502 R CB 1.009 31.273 30.300 -0.059 0.000 1.361 502 R HN 0.406 nan 8.270 nan 0.000 0.534 503 G N 0.921 109.687 108.800 -0.057 0.000 2.539 503 G HA2 0.070 4.028 3.960 -0.003 0.000 0.258 503 G HA3 0.070 4.028 3.960 -0.003 0.000 0.258 503 G C -0.184 174.678 174.900 -0.064 0.000 1.202 503 G CA -0.633 44.436 45.100 -0.051 0.000 0.851 503 G HN 0.359 nan 8.290 nan 0.000 0.556 504 N N -1.941 116.727 118.700 -0.053 0.000 2.374 504 N HA 0.455 5.193 4.740 -0.003 0.000 0.284 504 N C -0.637 174.853 175.510 -0.032 0.000 1.280 504 N CA -0.753 52.260 53.050 -0.061 0.000 0.963 504 N CB 0.989 39.450 38.487 -0.043 0.000 1.141 504 N HN 0.291 nan 8.380 nan 0.000 0.565 505 V N -1.694 118.198 119.914 -0.036 0.000 2.656 505 V HA 0.613 4.731 4.120 -0.003 0.000 0.307 505 V C -0.544 175.615 176.094 0.108 0.000 1.051 505 V CA -1.000 61.327 62.300 0.045 0.000 0.893 505 V CB 1.430 33.204 31.823 -0.080 0.000 0.999 505 V HN 0.671 nan 8.190 nan 0.000 0.426 506 R N 1.625 122.250 120.500 0.209 0.000 2.533 506 R HA 0.475 4.813 4.340 -0.003 0.000 0.288 506 R C -0.743 175.737 176.300 0.301 0.000 1.039 506 R CA -0.547 55.669 56.100 0.194 0.000 0.909 506 R CB 2.159 32.537 30.300 0.129 0.000 1.195 506 R HN 0.798 nan 8.270 nan 0.000 0.438 507 S N 2.106 117.990 115.700 0.306 0.000 2.525 507 S HA -0.009 4.459 4.470 -0.003 0.000 0.285 507 S C 0.452 175.304 174.600 0.419 0.000 1.283 507 S CA -0.239 58.213 58.200 0.420 0.000 1.072 507 S CB 0.491 63.882 63.200 0.320 0.000 0.867 507 S HN 0.626 nan 8.310 nan 0.000 0.492 508 W N 3.275 124.697 121.300 0.203 0.000 2.735 508 W HA 0.238 4.896 4.660 -0.003 0.000 0.264 508 W C 0.599 177.234 176.519 0.194 0.000 1.233 508 W CA 0.625 58.041 57.345 0.119 0.000 1.408 508 W CB 0.143 29.605 29.460 0.003 0.000 1.038 508 W HN 0.760 nan 8.180 nan 0.000 0.603 509 H N -0.894 118.281 119.070 0.175 0.000 3.139 509 H HA 0.450 5.004 4.556 -0.003 0.000 0.325 509 H C -1.753 173.684 175.328 0.182 0.000 1.146 509 H CA 0.265 56.332 56.048 0.032 0.000 1.351 509 H CB 1.325 30.930 29.762 -0.262 0.000 2.005 509 H HN -0.142 nan 8.280 nan 0.000 0.517 510 A N 4.319 127.040 122.820 -0.164 0.000 2.569 510 A HA 0.247 4.566 4.320 -0.003 0.000 0.282 510 A C -1.248 176.255 177.584 -0.134 0.000 1.165 510 A CA -0.670 51.361 52.037 -0.010 0.000 0.747 510 A CB 0.837 19.831 19.000 -0.010 0.000 1.215 510 A HN 0.535 nan 8.150 nan 0.000 0.431 511 D N 3.034 123.420 120.400 -0.022 0.000 2.443 511 D HA 0.156 4.794 4.640 -0.003 0.000 0.221 511 D C 1.225 177.547 176.300 0.037 0.000 1.097 511 D CA -0.272 53.721 54.000 -0.012 0.000 0.865 511 D CB 1.174 42.025 40.800 0.084 0.000 1.034 511 D HN 0.681 nan 8.370 nan 0.000 0.511 512 K N 2.059 122.473 120.400 0.024 0.000 2.360 512 K HA -0.195 4.123 4.320 -0.003 0.000 0.201 512 K C 1.382 177.944 176.600 -0.063 0.000 1.046 512 K CA 0.967 57.275 56.287 0.034 0.000 0.945 512 K CB 0.332 32.738 32.500 -0.158 0.000 0.750 512 K HN 0.110 nan 8.250 nan 0.000 0.464 513 Q N 0.886 120.654 119.800 -0.053 0.000 2.123 513 Q HA 0.162 4.500 4.340 -0.003 0.000 0.196 513 Q C 1.866 177.849 176.000 -0.030 0.000 0.958 513 Q CA 1.538 57.308 55.803 -0.056 0.000 0.841 513 Q CB 0.011 28.718 28.738 -0.052 0.000 0.915 513 Q HN 0.454 nan 8.270 nan 0.000 0.455 514 A N -0.250 122.566 122.820 -0.006 0.000 2.218 514 A HA 0.110 4.428 4.320 -0.003 0.000 0.209 514 A C 0.660 178.245 177.584 0.001 0.000 1.168 514 A CA 0.617 52.650 52.037 -0.007 0.000 0.804 514 A CB -0.352 18.654 19.000 0.010 0.000 0.834 514 A HN 0.553 nan 8.150 nan 0.000 0.482 515 N N -1.513 117.213 118.700 0.044 0.000 2.710 515 N HA -0.175 4.563 4.740 -0.003 0.000 0.249 515 N C -0.360 175.223 175.510 0.122 0.000 1.059 515 N CA 0.931 54.041 53.050 0.101 0.000 0.720 515 N CB -1.588 36.914 38.487 0.025 0.000 0.983 515 N HN 0.628 nan 8.380 nan 0.000 0.544 516 L N 0.673 121.972 121.223 0.127 0.000 2.307 516 L HA 0.588 4.926 4.340 -0.003 0.000 0.284 516 L C -0.759 176.272 176.870 0.269 0.000 1.023 516 L CA -0.936 53.992 54.840 0.147 0.000 0.810 516 L CB 0.916 43.016 42.059 0.069 0.000 1.231 516 L HN 0.210 nan 8.230 nan 0.000 0.423 517 Y N 4.792 125.171 120.300 0.132 0.000 2.462 517 Y HA 0.794 5.343 4.550 -0.003 0.000 0.346 517 Y C -0.975 175.055 175.900 0.216 0.000 0.976 517 Y CA -0.757 57.433 58.100 0.149 0.000 1.044 517 Y CB 1.900 40.416 38.460 0.093 0.000 1.230 517 Y HN 0.772 nan 8.280 nan 0.000 0.455 518 A N 5.566 128.196 122.820 -0.317 0.000 2.475 518 A HA 0.792 5.110 4.320 -0.003 0.000 0.301 518 A C -1.944 175.527 177.584 -0.188 0.000 1.059 518 A CA -0.555 51.326 52.037 -0.260 0.000 0.710 518 A CB 1.028 19.941 19.000 -0.146 0.000 1.288 518 A HN 0.869 nan 8.150 nan 0.000 0.408 519 F N -0.341 119.574 119.950 -0.059 0.000 2.643 519 F HA 0.850 5.376 4.527 -0.003 0.000 0.314 519 F C -1.373 174.491 175.800 0.107 0.000 1.096 519 F CA -1.297 56.755 58.000 0.086 0.000 0.953 519 F CB 1.311 40.371 39.000 0.100 0.000 1.345 519 F HN 0.381 nan 8.300 nan 0.000 0.468 520 V N 2.492 122.477 119.914 0.119 0.000 2.656 520 V HA 0.592 4.711 4.120 -0.003 0.000 0.307 520 V C -0.715 175.461 176.094 0.135 0.000 1.051 520 V CA -0.830 61.413 62.300 -0.094 0.000 0.893 520 V CB 1.961 33.595 31.823 -0.314 0.000 0.999 520 V HN 0.710 nan 8.190 nan 0.000 0.426 521 R N 2.488 123.052 120.500 0.107 0.000 2.294 521 R HA 0.671 5.009 4.340 -0.003 0.000 0.319 521 R C -0.562 175.769 176.300 0.050 0.000 0.984 521 R CA -0.372 55.801 56.100 0.121 0.000 0.861 521 R CB 1.542 31.924 30.300 0.138 0.000 1.104 521 R HN 0.761 nan 8.270 nan 0.000 0.451 522 T N 0.604 115.158 114.554 -0.000 0.000 2.841 522 T HA 0.464 4.813 4.350 -0.003 0.000 0.283 522 T C -0.780 173.853 174.700 -0.111 0.000 1.000 522 T CA -0.731 61.301 62.100 -0.113 0.000 0.977 522 T CB 2.148 70.944 68.868 -0.120 0.000 0.979 522 T HN 0.262 nan 8.240 nan 0.000 0.446 523 V N 3.502 123.329 119.914 -0.145 0.000 2.655 523 V HA 0.528 4.646 4.120 -0.003 0.000 0.301 523 V C -0.149 175.877 176.094 -0.113 0.000 1.082 523 V CA -0.152 62.090 62.300 -0.097 0.000 0.899 523 V CB 1.218 33.008 31.823 -0.055 0.000 1.014 523 V HN 1.029 nan 8.190 nan 0.000 0.429 524 Q N 3.996 123.739 119.800 -0.095 0.000 1.548 524 Q HA -0.236 4.102 4.340 -0.003 0.000 0.362 524 Q C 0.493 176.415 176.000 -0.131 0.000 0.909 524 Q CA 2.298 58.053 55.803 -0.081 0.000 0.779 524 Q CB -0.928 27.778 28.738 -0.053 0.000 3.939 524 Q HN 0.850 nan 8.270 nan 0.000 0.634 525 D N 0.377 120.711 120.400 -0.110 0.000 2.339 525 D HA 0.036 4.675 4.640 -0.003 0.000 0.217 525 D C -0.043 176.140 176.300 -0.196 0.000 1.050 525 D CA 0.339 54.263 54.000 -0.127 0.000 0.856 525 D CB 0.036 40.801 40.800 -0.058 0.000 0.922 525 D HN 0.292 nan 8.370 nan 0.000 0.518 526 Q N 0.742 120.424 119.800 -0.197 0.000 2.267 526 Q HA 0.178 4.516 4.340 -0.003 0.000 0.255 526 Q C -1.116 174.732 176.000 -0.253 0.000 0.923 526 Q CA -0.208 55.522 55.803 -0.122 0.000 0.925 526 Q CB 0.612 29.386 28.738 0.060 0.000 1.195 526 Q HN 0.097 nan 8.270 nan 0.000 0.417 527 H N 1.261 120.336 119.070 0.009 0.000 2.600 527 H HA 0.535 5.090 4.556 -0.003 0.000 0.357 527 H C -1.282 174.156 175.328 0.184 0.000 1.106 527 H CA -0.656 55.430 56.048 0.064 0.000 1.193 527 H CB 2.113 31.915 29.762 0.066 0.000 1.594 527 H HN 0.346 nan 8.280 nan 0.000 0.526 528 V N 2.793 122.865 119.914 0.264 0.000 2.447 528 V HA 0.511 4.629 4.120 -0.003 0.000 0.292 528 V C 0.327 176.437 176.094 0.026 0.000 1.021 528 V CA -0.733 61.717 62.300 0.250 0.000 0.850 528 V CB 1.699 33.654 31.823 0.220 0.000 1.005 528 V HN 0.975 nan 8.190 nan 0.000 0.426 529 G N 3.629 112.392 108.800 -0.061 0.000 2.348 529 G HA2 0.586 4.544 3.960 -0.003 0.000 0.312 529 G HA3 0.586 4.544 3.960 -0.003 0.000 0.312 529 G C -0.832 173.968 174.900 -0.166 0.000 1.126 529 G CA -0.390 44.520 45.100 -0.317 0.000 0.865 529 G HN 0.550 nan 8.290 nan 0.000 0.474 530 V N 2.737 122.403 119.914 -0.413 0.000 2.357 530 V HA 0.345 4.464 4.120 -0.003 0.000 0.284 530 V C -0.129 175.871 176.094 -0.157 0.000 1.018 530 V CA -0.750 61.361 62.300 -0.315 0.000 0.841 530 V CB 1.394 32.899 31.823 -0.530 0.000 0.991 530 V HN 0.497 nan 8.190 nan 0.000 0.437 531 V N 6.704 126.621 119.914 0.005 0.000 2.370 531 V HA 0.457 4.575 4.120 -0.003 0.000 0.283 531 V C -0.137 176.001 176.094 0.074 0.000 1.023 531 V CA -0.413 61.882 62.300 -0.009 0.000 0.857 531 V CB 1.554 33.322 31.823 -0.092 0.000 0.985 531 V HN 0.647 nan 8.190 nan 0.000 0.443 532 L N 4.628 125.930 121.223 0.133 0.000 2.298 532 L HA 0.522 4.860 4.340 -0.003 0.000 0.284 532 L C 0.120 177.070 176.870 0.134 0.000 1.013 532 L CA -0.423 54.548 54.840 0.218 0.000 0.824 532 L CB 1.405 43.703 42.059 0.398 0.000 1.221 532 L HN 0.530 nan 8.230 nan 0.000 0.418 533 N N 3.004 121.745 118.700 0.068 0.000 2.918 533 N HA 0.010 4.748 4.740 -0.003 0.000 0.247 533 N C -0.182 175.238 175.510 -0.149 0.000 1.117 533 N CA -0.155 52.877 53.050 -0.031 0.000 1.005 533 N CB 0.245 38.699 38.487 -0.057 0.000 1.297 533 N HN 0.449 nan 8.380 nan 0.000 0.513 534 N N 2.338 120.922 118.700 -0.194 0.000 3.245 534 N HA 0.069 4.807 4.740 -0.003 0.000 0.296 534 N C -1.042 174.137 175.510 -0.551 0.000 1.254 534 N CA -0.201 52.581 53.050 -0.446 0.000 1.190 534 N CB -0.244 37.763 38.487 -0.800 0.000 1.460 534 N HN 0.409 nan 8.380 nan 0.000 0.538 535 R N -0.390 119.672 120.500 -0.729 0.000 2.566 535 R HA 0.469 4.808 4.340 -0.003 0.000 0.271 535 R C 0.232 176.065 176.300 -0.778 0.000 1.071 535 R CA -0.703 55.044 56.100 -0.587 0.000 0.915 535 R CB 0.538 30.672 30.300 -0.278 0.000 1.228 535 R HN 0.090 nan 8.270 nan 0.000 0.449 536 G N 2.651 111.178 108.800 -0.456 0.000 3.375 536 G HA2 0.163 4.121 3.960 -0.003 0.000 0.247 536 G HA3 0.163 4.121 3.960 -0.003 0.000 0.247 536 G C -0.693 174.207 174.900 -0.000 0.000 1.343 536 G CA 0.073 45.180 45.100 0.012 0.000 1.368 536 G HN 0.554 nan 8.290 nan 0.000 0.549 537 E N -0.238 119.908 120.200 -0.091 0.000 2.335 537 E HA 0.145 4.493 4.350 -0.003 0.000 0.280 537 E C -0.838 175.728 176.600 -0.056 0.000 0.918 537 E CA -0.889 55.484 56.400 -0.046 0.000 0.765 537 E CB 2.053 31.726 29.700 -0.046 0.000 1.218 537 E HN 0.132 nan 8.360 nan 0.000 0.425 538 K N 3.757 124.139 120.400 -0.029 0.000 2.382 538 K HA 0.021 4.340 4.320 -0.003 0.000 0.286 538 K C -0.446 176.129 176.600 -0.042 0.000 1.062 538 K CA 0.476 56.744 56.287 -0.031 0.000 1.000 538 K CB 0.358 32.847 32.500 -0.017 0.000 0.954 538 K HN 0.439 nan 8.250 nan 0.000 0.470 539 Q N 2.081 121.849 119.800 -0.054 0.000 2.552 539 Q HA 0.442 4.781 4.340 -0.003 0.000 0.289 539 Q C -1.042 174.919 176.000 -0.065 0.000 1.097 539 Q CA -1.197 54.572 55.803 -0.056 0.000 0.812 539 Q CB 1.715 30.417 28.738 -0.060 0.000 1.460 539 Q HN 0.320 nan 8.270 nan 0.000 0.452 540 T N 0.990 115.504 114.554 -0.067 0.000 2.847 540 T HA 0.418 4.766 4.350 -0.003 0.000 0.291 540 T C -1.129 173.508 174.700 -0.104 0.000 0.998 540 T CA -0.544 61.506 62.100 -0.083 0.000 0.967 540 T CB 1.415 70.243 68.868 -0.066 0.000 0.954 540 T HN 0.428 nan 8.240 nan 0.000 0.441 541 V N 4.706 124.524 119.914 -0.160 0.000 2.732 541 V HA 0.781 4.899 4.120 -0.003 0.000 0.310 541 V C -1.060 174.870 176.094 -0.273 0.000 1.053 541 V CA -1.023 61.133 62.300 -0.240 0.000 0.957 541 V CB 1.708 33.302 31.823 -0.382 0.000 1.018 541 V HN 0.742 nan 8.190 nan 0.000 0.452 542 L N 6.618 127.674 121.223 -0.278 0.000 2.324 542 L HA 0.591 4.929 4.340 -0.003 0.000 0.274 542 L C -0.871 175.820 176.870 -0.299 0.000 1.012 542 L CA 0.131 54.839 54.840 -0.220 0.000 0.859 542 L CB 1.011 43.011 42.059 -0.100 0.000 1.224 542 L HN 0.625 nan 8.230 nan 0.000 0.429 543 L N 4.188 125.180 121.223 -0.386 0.000 2.343 543 L HA 0.509 4.847 4.340 -0.003 0.000 0.275 543 L C -0.080 176.704 176.870 -0.143 0.000 1.056 543 L CA -0.849 53.727 54.840 -0.440 0.000 0.804 543 L CB 1.204 42.733 42.059 -0.882 0.000 1.203 543 L HN 0.495 nan 8.230 nan 0.000 0.440 544 Q N 3.020 122.816 119.800 -0.008 0.000 2.288 544 Q HA 0.405 4.743 4.340 -0.003 0.000 0.254 544 Q C -0.438 175.695 176.000 0.221 0.000 0.932 544 Q CA -0.428 55.438 55.803 0.105 0.000 0.902 544 Q CB 1.796 30.610 28.738 0.126 0.000 1.203 544 Q HN 0.501 nan 8.270 nan 0.000 0.415 545 V N -1.131 118.890 119.914 0.180 0.000 2.722 545 V HA 0.313 4.431 4.120 -0.003 0.000 0.260 545 V C -2.620 173.580 176.094 0.176 0.000 0.941 545 V CA -1.948 60.486 62.300 0.225 0.000 0.888 545 V CB 1.257 33.241 31.823 0.268 0.000 1.059 545 V HN 0.576 nan 8.190 nan 0.000 0.486 546 P HA 0.164 nan 4.420 nan 0.000 0.266 546 P C 1.026 178.367 177.300 0.068 0.000 1.215 546 P CA 0.402 63.551 63.100 0.082 0.000 0.763 546 P CB 1.075 32.811 31.700 0.059 0.000 0.806 547 E N 1.581 121.814 120.200 0.054 0.000 2.315 547 E HA -0.301 4.047 4.350 -0.003 0.000 0.215 547 E C 1.835 178.422 176.600 -0.022 0.000 1.069 547 E CA 1.834 58.247 56.400 0.021 0.000 0.859 547 E CB -0.430 29.275 29.700 0.008 0.000 0.743 547 E HN 0.506 nan 8.360 nan 0.000 0.469 548 S N -0.285 115.404 115.700 -0.017 0.000 2.392 548 S HA -0.169 4.300 4.470 -0.003 0.000 0.232 548 S C 1.934 176.481 174.600 -0.089 0.000 1.041 548 S CA 1.547 59.724 58.200 -0.039 0.000 1.026 548 S CB -0.327 62.862 63.200 -0.017 0.000 0.845 548 S HN 0.457 nan 8.310 nan 0.000 0.465 549 G N -0.715 108.015 108.800 -0.117 0.000 2.623 549 G HA2 0.475 4.433 3.960 -0.003 0.000 0.214 549 G HA3 0.475 4.433 3.960 -0.003 0.000 0.214 549 G C 0.679 175.336 174.900 -0.405 0.000 1.138 549 G CA 0.410 45.355 45.100 -0.258 0.000 0.794 549 G HN 1.133 nan 8.290 nan 0.000 0.535 550 G N -0.789 107.854 108.800 -0.261 0.000 2.357 550 G HA2 0.140 4.099 3.960 -0.003 0.000 0.643 550 G HA3 0.140 4.099 3.960 -0.003 0.000 0.643 550 G C -0.194 174.605 174.900 -0.168 0.000 1.358 550 G CA -0.429 44.458 45.100 -0.355 0.000 0.986 550 G HN -0.021 nan 8.290 nan 0.000 0.620 551 K N -0.314 119.992 120.400 -0.157 0.000 2.374 551 K HA 0.317 4.636 4.320 -0.003 0.000 0.202 551 K C 0.887 177.507 176.600 0.033 0.000 1.040 551 K CA 0.997 57.286 56.287 0.004 0.000 1.085 551 K CB 0.957 33.449 32.500 -0.013 0.000 0.873 551 K HN 1.291 nan 8.250 nan 0.000 0.539 552 T N -2.496 111.967 114.554 -0.151 0.000 2.933 552 T HA 0.657 5.005 4.350 -0.003 0.000 0.305 552 T C -1.510 173.033 174.700 -0.261 0.000 1.092 552 T CA -0.778 61.301 62.100 -0.036 0.000 1.008 552 T CB 1.375 70.205 68.868 -0.064 0.000 1.102 552 T HN 0.052 nan 8.240 nan 0.000 0.469 553 W N 1.489 122.798 121.300 0.015 0.000 3.033 553 W HA 0.741 5.399 4.660 -0.002 0.000 0.336 553 W C -1.287 175.283 176.519 0.085 0.000 1.173 553 W CA -1.150 56.208 57.345 0.021 0.000 1.185 553 W CB 1.838 31.330 29.460 0.054 0.000 1.425 553 W HN 0.718 nan 8.180 nan 0.000 0.536 554 L N 2.805 124.252 121.223 0.372 0.000 2.305 554 L HA 0.406 4.744 4.340 -0.003 0.000 0.284 554 L C -0.393 176.657 176.870 0.300 0.000 1.013 554 L CA -0.296 54.736 54.840 0.319 0.000 0.819 554 L CB 0.822 43.109 42.059 0.379 0.000 1.227 554 L HN 0.327 nan 8.230 nan 0.000 0.417 555 D N 3.853 124.380 120.400 0.212 0.000 2.383 555 D HA 0.046 4.685 4.640 -0.003 0.000 0.245 555 D C 0.938 177.319 176.300 0.135 0.000 1.263 555 D CA -0.030 54.068 54.000 0.163 0.000 0.936 555 D CB 0.633 41.503 40.800 0.117 0.000 1.053 555 D HN 0.721 nan 8.370 nan 0.000 0.507 556 C N 3.475 122.853 119.300 0.130 0.000 2.399 556 C HA -0.103 4.355 4.460 -0.003 0.000 0.296 556 C C 2.455 177.473 174.990 0.047 0.000 1.415 556 C CA 0.242 59.300 59.018 0.068 0.000 1.798 556 C CB -1.133 26.614 27.740 0.011 0.000 1.802 556 C HN 0.681 nan 8.230 nan 0.000 0.549 557 L N 0.110 121.373 121.223 0.068 0.000 2.307 557 L HA 0.017 4.355 4.340 -0.003 0.000 0.211 557 L C 2.343 179.257 176.870 0.073 0.000 1.099 557 L CA 1.622 56.505 54.840 0.073 0.000 0.816 557 L CB -0.486 41.635 42.059 0.104 0.000 0.952 557 L HN 0.539 nan 8.230 nan 0.000 0.455 558 T N -3.805 110.793 114.554 0.074 0.000 3.429 558 T HA 0.550 4.898 4.350 -0.003 0.000 0.212 558 T C 0.598 175.340 174.700 0.069 0.000 0.980 558 T CA 0.362 62.502 62.100 0.066 0.000 1.201 558 T CB 0.567 69.472 68.868 0.061 0.000 1.289 558 T HN 0.194 nan 8.240 nan 0.000 0.346 559 G N 0.033 108.881 108.800 0.079 0.000 2.619 559 G HA2 0.533 4.491 3.960 -0.003 0.000 0.305 559 G HA3 0.533 4.491 3.960 -0.003 0.000 0.305 559 G C -1.724 173.243 174.900 0.111 0.000 1.330 559 G CA -0.763 44.390 45.100 0.088 0.000 0.789 559 G HN 0.541 nan 8.290 nan 0.000 0.487 560 E N -0.347 119.924 120.200 0.117 0.000 2.422 560 E HA 0.346 4.694 4.350 -0.003 0.000 0.260 560 E C -0.694 176.002 176.600 0.160 0.000 1.108 560 E CA 0.225 56.712 56.400 0.145 0.000 0.943 560 E CB 0.440 30.219 29.700 0.131 0.000 0.961 560 E HN 0.256 nan 8.360 nan 0.000 0.443 561 E N 2.818 123.147 120.200 0.216 0.000 3.990 561 E HA 0.041 4.390 4.350 -0.003 0.000 0.246 561 E C -0.574 176.260 176.600 0.391 0.000 1.179 561 E CA -0.067 56.492 56.400 0.266 0.000 1.287 561 E CB 0.897 30.677 29.700 0.134 0.000 1.241 561 E HN 0.305 nan 8.360 nan 0.000 0.406 562 V N 1.536 121.657 119.914 0.346 0.000 3.431 562 V HA -0.112 4.006 4.120 -0.003 0.000 0.303 562 V C 0.147 176.306 176.094 0.108 0.000 1.179 562 V CA 0.883 63.293 62.300 0.183 0.000 1.284 562 V CB -0.932 30.924 31.823 0.056 0.000 1.036 562 V HN 0.332 nan 8.190 nan 0.000 0.425 563 H N 0.741 119.877 119.070 0.109 0.000 2.708 563 H HA 0.400 4.955 4.556 -0.003 0.000 0.309 563 H C 1.157 176.541 175.328 0.093 0.000 1.084 563 H CA 0.254 56.350 56.048 0.079 0.000 1.165 563 H CB -0.169 29.623 29.762 0.051 0.000 1.388 563 H HN 0.497 nan 8.280 nan 0.000 0.553 564 G N 1.501 110.418 108.800 0.196 0.000 2.338 564 G HA2 0.404 4.362 3.960 -0.003 0.000 0.295 564 G HA3 0.404 4.362 3.960 -0.003 0.000 0.295 564 G C -0.434 174.530 174.900 0.107 0.000 1.132 564 G CA -0.748 44.467 45.100 0.192 0.000 0.922 564 G HN 0.411 nan 8.290 nan 0.000 0.427 565 K N 1.477 121.929 120.400 0.087 0.000 2.498 565 K HA 0.501 4.819 4.320 -0.003 0.000 0.254 565 K C -0.034 176.595 176.600 0.048 0.000 0.933 565 K CA -1.000 55.319 56.287 0.053 0.000 0.806 565 K CB 1.662 34.181 32.500 0.033 0.000 1.301 565 K HN 0.384 nan 8.250 nan 0.000 0.432 566 Q N 0.494 120.317 119.800 0.038 0.000 2.461 566 Q HA -0.266 4.072 4.340 -0.003 0.000 0.273 566 Q C 0.638 176.663 176.000 0.042 0.000 1.163 566 Q CA 1.135 56.958 55.803 0.033 0.000 0.929 566 Q CB -1.893 26.861 28.738 0.026 0.000 1.334 566 Q HN 1.317 nan 8.270 nan 0.000 0.499 567 G N -0.602 108.232 108.800 0.057 0.000 2.179 567 G HA2 -0.352 3.606 3.960 -0.003 0.000 0.260 567 G HA3 -0.352 3.606 3.960 -0.003 0.000 0.260 567 G C -0.098 174.848 174.900 0.077 0.000 0.977 567 G CA 0.676 45.817 45.100 0.069 0.000 0.641 567 G HN 0.631 nan 8.290 nan 0.000 0.533 568 Q N -1.062 118.777 119.800 0.066 0.000 2.421 568 Q HA 0.828 5.167 4.340 -0.003 0.000 0.280 568 Q C -1.067 174.959 176.000 0.044 0.000 1.085 568 Q CA -1.278 54.553 55.803 0.047 0.000 0.807 568 Q CB 2.582 31.332 28.738 0.020 0.000 1.405 568 Q HN 0.506 nan 8.270 nan 0.000 0.419 569 L N 1.572 122.796 121.223 0.002 0.000 2.381 569 L HA 0.579 4.918 4.340 -0.003 0.000 0.274 569 L C -1.343 175.477 176.870 -0.083 0.000 0.988 569 L CA -0.731 54.102 54.840 -0.011 0.000 0.824 569 L CB 1.870 43.912 42.059 -0.028 0.000 1.263 569 L HN 0.782 nan 8.230 nan 0.000 0.410 570 K N 6.083 126.457 120.400 -0.043 0.000 2.253 570 K HA 0.577 4.895 4.320 -0.003 0.000 0.277 570 K C -1.574 174.965 176.600 -0.101 0.000 1.053 570 K CA -0.477 55.764 56.287 -0.078 0.000 0.892 570 K CB 0.873 33.353 32.500 -0.034 0.000 1.102 570 K HN 0.624 nan 8.250 nan 0.000 0.469 571 L N 3.152 124.287 121.223 -0.147 0.000 2.354 571 L HA 0.468 4.807 4.340 -0.003 0.000 0.269 571 L C -0.318 176.477 176.870 -0.126 0.000 1.005 571 L CA -0.989 53.765 54.840 -0.143 0.000 0.819 571 L CB 2.316 44.273 42.059 -0.171 0.000 1.311 571 L HN 0.694 nan 8.230 nan 0.000 0.423 572 T N 0.786 115.279 114.554 -0.102 0.000 2.791 572 T HA 0.660 5.009 4.350 -0.003 0.000 0.288 572 T C -0.683 173.979 174.700 -0.063 0.000 0.999 572 T CA -0.758 61.294 62.100 -0.080 0.000 0.952 572 T CB 1.084 69.912 68.868 -0.067 0.000 0.938 572 T HN 0.114 nan 8.240 nan 0.000 0.444 573 L N 3.600 124.787 121.223 -0.059 0.000 2.341 573 L HA 0.556 4.894 4.340 -0.003 0.000 0.278 573 L C 0.793 177.648 176.870 -0.026 0.000 1.005 573 L CA -0.890 53.927 54.840 -0.038 0.000 0.818 573 L CB 1.475 43.508 42.059 -0.043 0.000 1.259 573 L HN 0.767 nan 8.230 nan 0.000 0.418 574 R N 1.720 122.218 120.500 -0.004 0.000 2.637 574 R HA 0.406 4.745 4.340 -0.003 0.000 0.269 574 R C -2.394 173.918 176.300 0.020 0.000 1.089 574 R CA -1.810 54.295 56.100 0.009 0.000 1.177 574 R CB -0.544 29.770 30.300 0.023 0.000 1.091 574 R HN 0.284 nan 8.270 nan 0.000 0.540 575 P HA -0.141 nan 4.420 nan 0.000 0.259 575 P C -0.910 176.511 177.300 0.201 0.000 1.163 575 P CA 0.731 63.877 63.100 0.076 0.000 0.760 575 P CB -0.124 31.676 31.700 0.167 0.000 0.762 576 Y N -0.665 119.642 120.300 0.010 0.000 3.721 576 Y HA -0.279 4.269 4.550 -0.003 0.000 0.218 576 Y C 1.048 176.983 175.900 0.060 0.000 1.188 576 Y CA 0.677 58.798 58.100 0.035 0.000 1.607 576 Y CB -2.200 36.280 38.460 0.033 0.000 1.496 576 Y HN 0.476 nan 8.280 nan 0.000 0.626 577 Q N 0.478 120.354 119.800 0.127 0.000 2.312 577 Q HA 0.593 4.931 4.340 -0.003 0.000 0.236 577 Q C 0.604 176.687 176.000 0.138 0.000 0.965 577 Q CA 0.220 56.092 55.803 0.115 0.000 0.894 577 Q CB 1.390 30.168 28.738 0.066 0.000 1.225 577 Q HN 0.453 nan 8.270 nan 0.000 0.478 578 G N 2.198 111.092 108.800 0.157 0.000 2.591 578 G HA2 0.635 4.593 3.960 -0.003 0.000 0.306 578 G HA3 0.635 4.593 3.960 -0.003 0.000 0.306 578 G C -1.170 173.812 174.900 0.138 0.000 1.334 578 G CA -0.583 44.624 45.100 0.179 0.000 0.981 578 G HN 0.532 nan 8.290 nan 0.000 0.491 579 M N 2.420 122.086 119.600 0.111 0.000 2.327 579 M HA 0.379 4.858 4.480 -0.003 0.000 0.298 579 M C -1.068 175.281 176.300 0.083 0.000 1.065 579 M CA -0.771 54.581 55.300 0.087 0.000 0.916 579 M CB 2.549 35.181 32.600 0.054 0.000 1.630 579 M HN 0.184 nan 8.290 nan 0.000 0.442 580 I N 5.464 126.088 120.570 0.090 0.000 2.412 580 I HA 0.319 4.487 4.170 -0.003 0.000 0.279 580 I C -0.539 175.669 176.117 0.152 0.000 1.063 580 I CA -0.287 61.066 61.300 0.088 0.000 1.193 580 I CB 0.204 38.243 38.000 0.066 0.000 1.370 580 I HN 0.644 nan 8.210 nan 0.000 0.479 581 L N 4.952 126.276 121.223 0.168 0.000 2.295 581 L HA 0.226 4.564 4.340 -0.003 0.000 0.288 581 L C -0.420 176.738 176.870 0.480 0.000 1.079 581 L CA -0.339 54.671 54.840 0.283 0.000 0.830 581 L CB 0.586 42.738 42.059 0.154 0.000 1.200 581 L HN 0.517 nan 8.230 nan 0.000 0.438 582 W N 5.575 127.043 121.300 0.279 0.000 2.338 582 W HA 0.191 4.849 4.660 -0.003 0.000 0.307 582 W C 1.281 177.918 176.519 0.197 0.000 1.167 582 W CA -1.008 56.468 57.345 0.217 0.000 1.208 582 W CB 0.721 30.240 29.460 0.098 0.000 1.228 582 W HN 0.572 nan 8.180 nan 0.000 0.499 583 N N 4.138 122.616 118.700 -0.370 0.000 2.501 583 N HA -0.012 4.726 4.740 -0.003 0.000 0.195 583 N C 1.230 176.025 175.510 -1.191 0.000 1.213 583 N CA 0.982 53.423 53.050 -1.015 0.000 0.864 583 N CB -0.238 37.690 38.487 -0.932 0.000 0.999 583 N HN 0.915 nan 8.380 nan 0.000 0.454 584 G N -0.003 107.622 108.800 -1.959 0.000 2.189 584 G HA2 -0.290 3.668 3.960 -0.003 0.000 0.267 584 G HA3 -0.290 3.668 3.960 -0.003 0.000 0.267 584 G C 0.217 174.122 174.900 -1.659 0.000 0.975 584 G CA 0.422 44.158 45.100 -2.275 0.000 0.644 584 G HN 0.455 nan 8.290 nan 0.000 0.537 585 R N 0.000 119.856 120.500 -1.073 0.000 2.786 585 R HA 0.000 4.338 4.340 -0.003 0.000 0.208 585 R CA 0.000 55.931 56.100 -0.282 0.000 0.921 585 R CB 0.000 30.152 30.300 -0.247 0.000 0.687 585 R HN 0.000 nan 8.270 nan 0.000 0.535