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 2wu5_1_E DATA FIRST_RESID 1 DATA SEQUENCE MKLPVREFDA VVIGAGGAGM RAALQISQSG QTCALLSKVF PTRSHTVSAQ DATA SEQUENCE GGITVALGNT HEDNWEWHMY DTVKGSDYIG DQDAIEYMCK TGPEAILELE DATA SEQUENCE HMGLPFSRLD DGRIYQRPFG GQSKNFGGEQ AARTAAAADR TGHALLHTLY DATA SEQUENCE QQNLKNHTTI FSEWYALDLV KNQDGAVVGC TALCIETGEV VYFKARATVL DATA SEQUENCE ATGGAGRIYQ STTNAHINTG DGVGMAIRAG VPVQDMEMWQ FHPTGIAGAG DATA SEQUENCE VLVTEGCRGE GGYLLNKHGE RFMERYAPNA KDLAGRDVVA RSIMIEIREG DATA SEQUENCE RGCDGPWGPH AKLKLDHLGK EVLESRLPGI LELSRTFAHV DPVKEPIPVI DATA SEQUENCE PTCHYMMGGI PTKVTGQALT VNEKGEDVVV PGLFAVGEIA CVSVHGANRL DATA SEQUENCE GGNSLLDLVV FGRAAGLHLQ ESIAEQGALR DASESDVEAS LDRLNRWNNN DATA SEQUENCE RNGEDPVAIR KALQECMQHN FSVFREGDAM AKGLEQLKVI RERLKNARLD DATA SEQUENCE DTSSEFNTQR VECLELDNLM ETAYATAVSA NFRTESRGAH SRFDFPDRDD DATA SEQUENCE ENWLCHSLYL PESESMTRRS VNMEPKLRPA FPPKIRTY 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 0.000 176.312 176.300 0.020 0.000 1.140 1 M CA 0.000 55.313 55.300 0.021 0.000 0.988 1 M CB 0.000 32.624 32.600 0.041 0.000 1.302 2 K N 2.316 122.727 120.400 0.019 0.000 2.576 2 K HA 0.486 4.806 4.320 -0.000 0.000 0.209 2 K C -1.320 175.298 176.600 0.029 0.000 1.049 2 K CA -0.060 56.239 56.287 0.020 0.000 1.140 2 K CB 0.343 32.852 32.500 0.015 0.000 0.871 2 K HN 0.675 nan 8.250 nan 0.000 0.479 3 L N 0.993 122.240 121.223 0.039 0.000 2.464 3 L HA 0.438 4.778 4.340 -0.000 0.000 0.266 3 L C -2.683 174.222 176.870 0.058 0.000 0.965 3 L CA -1.674 53.199 54.840 0.055 0.000 0.833 3 L CB 2.081 44.180 42.059 0.066 0.000 1.296 3 L HN -0.080 nan 8.230 nan 0.000 0.405 4 P HA 0.085 nan 4.420 nan 0.000 0.262 4 P C -1.172 176.110 177.300 -0.031 0.000 1.182 4 P CA 0.064 63.167 63.100 0.006 0.000 0.761 4 P CB 0.437 32.144 31.700 0.011 0.000 0.795 5 V N 5.946 125.823 119.914 -0.062 0.000 2.334 5 V HA 0.317 4.436 4.120 -0.000 0.000 0.281 5 V C 0.560 176.500 176.094 -0.258 0.000 1.016 5 V CA -0.447 61.773 62.300 -0.133 0.000 0.832 5 V CB 1.045 32.849 31.823 -0.032 0.000 0.999 5 V HN 0.415 nan 8.190 nan 0.000 0.439 6 R N 3.471 123.717 120.500 -0.423 0.000 2.239 6 R HA 0.414 4.754 4.340 -0.000 0.000 0.332 6 R C -0.223 175.864 176.300 -0.354 0.000 0.988 6 R CA -0.382 55.470 56.100 -0.413 0.000 0.859 6 R CB 1.701 31.682 30.300 -0.533 0.000 1.148 6 R HN 0.743 nan 8.270 nan 0.000 0.482 7 E N 3.470 123.401 120.200 -0.447 0.000 2.216 7 E HA 0.348 4.698 4.350 -0.000 0.000 0.279 7 E C -1.129 175.114 176.600 -0.594 0.000 0.997 7 E CA -0.366 55.820 56.400 -0.357 0.000 0.817 7 E CB 0.720 30.266 29.700 -0.257 0.000 1.096 7 E HN 0.271 nan 8.360 nan 0.000 0.393 8 F N 1.556 121.469 119.950 -0.061 0.000 2.643 8 F HA 0.205 4.732 4.527 0.000 0.000 0.314 8 F C 0.898 176.681 175.800 -0.029 0.000 1.096 8 F CA -0.866 57.118 58.000 -0.026 0.000 0.953 8 F CB 1.513 40.512 39.000 -0.001 0.000 1.345 8 F HN 0.412 nan 8.300 nan 0.000 0.468 9 D N 0.784 121.289 120.400 0.174 0.000 2.097 9 D HA 0.074 4.713 4.640 -0.000 0.000 0.197 9 D C 0.314 176.651 176.300 0.062 0.000 0.984 9 D CA 1.396 55.445 54.000 0.082 0.000 0.826 9 D CB 0.078 40.908 40.800 0.050 0.000 0.973 9 D HN 0.419 nan 8.370 nan 0.000 0.460 10 A N -0.110 122.748 122.820 0.063 0.000 2.414 10 A HA 0.566 4.885 4.320 -0.000 0.000 0.306 10 A C -1.087 176.464 177.584 -0.055 0.000 1.054 10 A CA -0.531 51.493 52.037 -0.021 0.000 0.724 10 A CB 2.179 21.122 19.000 -0.095 0.000 1.267 10 A HN -0.093 nan 8.150 nan 0.000 0.418 11 V N 2.928 122.792 119.914 -0.083 0.000 2.349 11 V HA 0.310 4.430 4.120 -0.000 0.000 0.284 11 V C -0.451 175.540 176.094 -0.172 0.000 1.014 11 V CA -0.463 61.729 62.300 -0.181 0.000 0.826 11 V CB 1.412 33.144 31.823 -0.152 0.000 1.009 11 V HN 0.651 nan 8.190 nan 0.000 0.431 12 V N 6.880 126.673 119.914 -0.200 0.000 2.353 12 V HA 0.367 4.487 4.120 -0.000 0.000 0.264 12 V C 0.295 176.286 176.094 -0.172 0.000 1.049 12 V CA -0.209 62.001 62.300 -0.151 0.000 0.896 12 V CB 1.123 32.870 31.823 -0.126 0.000 1.025 12 V HN 0.669 nan 8.190 nan 0.000 0.475 13 I N 5.420 125.904 120.570 -0.143 0.000 2.278 13 I HA 0.603 4.773 4.170 -0.000 0.000 0.296 13 I C 0.876 176.928 176.117 -0.110 0.000 1.121 13 I CA 0.280 61.488 61.300 -0.153 0.000 1.267 13 I CB 0.259 38.174 38.000 -0.141 0.000 1.447 13 I HN 0.827 nan 8.210 nan 0.000 0.509 14 G N 4.332 113.069 108.800 -0.104 0.000 2.801 14 G HA2 0.222 4.182 3.960 -0.000 0.000 0.648 14 G HA3 0.222 4.182 3.960 -0.000 0.000 0.648 14 G C -0.560 174.301 174.900 -0.064 0.000 1.415 14 G CA -0.350 44.707 45.100 -0.071 0.000 0.887 14 G HN 0.709 nan 8.290 nan 0.000 0.627 15 A N 1.248 124.032 122.820 -0.059 0.000 2.793 15 A HA 0.791 5.111 4.320 -0.000 0.000 0.301 15 A C 1.288 178.836 177.584 -0.060 0.000 1.172 15 A CA 1.048 53.045 52.037 -0.067 0.000 0.973 15 A CB -0.181 18.764 19.000 -0.092 0.000 1.164 15 A HN 2.018 nan 8.150 nan 0.000 0.542 16 G N -0.668 108.112 108.800 -0.034 0.000 2.494 16 G HA2 0.400 4.360 3.960 -0.000 0.000 0.270 16 G HA3 0.400 4.360 3.960 -0.000 0.000 0.270 16 G C 1.159 176.050 174.900 -0.014 0.000 1.423 16 G CA 0.175 45.264 45.100 -0.019 0.000 1.055 16 G HN 0.526 nan 8.290 nan 0.000 0.536 17 G N -0.273 108.530 108.800 0.005 0.000 2.421 17 G HA2 0.038 3.998 3.960 -0.000 0.000 0.216 17 G HA3 0.038 3.998 3.960 -0.000 0.000 0.216 17 G C 1.966 176.881 174.900 0.026 0.000 1.171 17 G CA 1.921 47.029 45.100 0.013 0.000 0.775 17 G HN 0.888 nan 8.290 nan 0.000 0.543 18 A N 0.819 123.665 122.820 0.043 0.000 1.873 18 A HA 0.199 4.519 4.320 -0.000 0.000 0.215 18 A C 2.728 180.327 177.584 0.026 0.000 1.186 18 A CA 2.071 54.142 52.037 0.056 0.000 0.616 18 A CB -1.118 17.928 19.000 0.076 0.000 0.823 18 A HN 0.529 nan 8.150 nan 0.000 0.442 19 G N -0.729 108.073 108.800 0.004 0.000 2.418 19 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.217 19 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.217 19 G C 1.646 176.527 174.900 -0.032 0.000 1.158 19 G CA 1.198 46.285 45.100 -0.022 0.000 0.771 19 G HN 0.442 nan 8.290 nan 0.000 0.545 20 M N -0.484 119.099 119.600 -0.028 0.000 2.254 20 M HA 0.076 4.556 4.480 -0.000 0.000 0.265 20 M C 2.574 178.857 176.300 -0.029 0.000 1.066 20 M CA 0.893 56.173 55.300 -0.034 0.000 1.123 20 M CB -0.060 32.523 32.600 -0.028 0.000 1.388 20 M HN 0.137 nan 8.290 nan 0.000 0.425 21 R N 1.049 121.542 120.500 -0.013 0.000 2.092 21 R HA 0.011 4.350 4.340 -0.000 0.000 0.231 21 R C 2.010 178.303 176.300 -0.011 0.000 1.119 21 R CA 1.866 57.962 56.100 -0.007 0.000 0.970 21 R CB -0.684 29.623 30.300 0.012 0.000 0.864 21 R HN 0.305 nan 8.270 nan 0.000 0.440 22 A N 0.286 123.101 122.820 -0.009 0.000 1.855 22 A HA 0.001 4.321 4.320 -0.000 0.000 0.215 22 A C 2.372 179.929 177.584 -0.045 0.000 1.191 22 A CA 1.703 53.728 52.037 -0.021 0.000 0.613 22 A CB -1.190 17.798 19.000 -0.019 0.000 0.829 22 A HN 0.442 nan 8.150 nan 0.000 0.442 23 A N -0.769 122.019 122.820 -0.054 0.000 1.940 23 A HA -0.098 4.222 4.320 -0.000 0.000 0.219 23 A C 2.122 179.673 177.584 -0.056 0.000 1.176 23 A CA 1.838 53.836 52.037 -0.066 0.000 0.631 23 A CB -0.593 18.362 19.000 -0.075 0.000 0.814 23 A HN 0.519 nan 8.150 nan 0.000 0.446 24 L N -0.871 120.322 121.223 -0.049 0.000 2.046 24 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 24 L C 2.562 179.408 176.870 -0.040 0.000 1.077 24 L CA 2.513 57.325 54.840 -0.046 0.000 0.747 24 L CB -0.594 41.439 42.059 -0.043 0.000 0.896 24 L HN 0.502 nan 8.230 nan 0.000 0.432 25 Q N -0.429 119.348 119.800 -0.038 0.000 2.083 25 Q HA -0.106 4.233 4.340 -0.000 0.000 0.198 25 Q C 2.121 178.094 176.000 -0.045 0.000 0.969 25 Q CA 1.765 57.545 55.803 -0.038 0.000 0.838 25 Q CB -0.276 28.441 28.738 -0.034 0.000 0.900 25 Q HN 0.589 nan 8.270 nan 0.000 0.436 26 I N -0.294 120.244 120.570 -0.052 0.000 2.208 26 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 26 I C 2.396 178.489 176.117 -0.040 0.000 1.097 26 I CA 1.409 62.674 61.300 -0.058 0.000 1.363 26 I CB -0.503 37.451 38.000 -0.076 0.000 1.051 26 I HN 0.225 nan 8.210 nan 0.000 0.413 27 S N 0.226 115.906 115.700 -0.034 0.000 2.368 27 S HA -0.218 4.252 4.470 -0.000 0.000 0.224 27 S C 1.978 176.568 174.600 -0.015 0.000 1.029 27 S CA 1.402 59.591 58.200 -0.018 0.000 0.988 27 S CB -0.148 63.041 63.200 -0.018 0.000 0.838 27 S HN 0.446 nan 8.310 nan 0.000 0.462 28 Q N 0.231 120.017 119.800 -0.022 0.000 2.364 28 Q HA 0.068 4.408 4.340 -0.000 0.000 0.207 28 Q C 1.884 177.870 176.000 -0.022 0.000 0.970 28 Q CA 1.050 56.841 55.803 -0.020 0.000 0.888 28 Q CB -0.057 28.666 28.738 -0.024 0.000 0.951 28 Q HN 0.445 nan 8.270 nan 0.000 0.469 29 S N -0.944 114.739 115.700 -0.028 0.000 2.562 29 S HA 0.101 4.570 4.470 -0.000 0.000 0.221 29 S C 1.162 175.750 174.600 -0.021 0.000 0.975 29 S CA 0.671 58.853 58.200 -0.030 0.000 0.918 29 S CB 0.552 63.727 63.200 -0.041 0.000 0.772 29 S HN 0.651 nan 8.310 nan 0.000 0.531 30 G N 0.922 109.714 108.800 -0.014 0.000 2.163 30 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.213 30 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.213 30 G C -0.268 174.631 174.900 -0.001 0.000 0.991 30 G CA -0.539 44.557 45.100 -0.006 0.000 0.653 30 G HN 0.478 nan 8.290 nan 0.000 0.518 31 Q N 1.100 120.898 119.800 -0.002 0.000 2.266 31 Q HA 0.590 4.930 4.340 -0.000 0.000 0.261 31 Q C 0.609 176.627 176.000 0.031 0.000 0.985 31 Q CA -0.067 55.741 55.803 0.008 0.000 0.873 31 Q CB 1.553 30.287 28.738 -0.007 0.000 1.306 31 Q HN 0.426 nan 8.270 nan 0.000 0.447 32 T N -1.803 112.790 114.554 0.064 0.000 2.919 32 T HA 0.339 4.689 4.350 -0.000 0.000 0.302 32 T C -0.193 174.601 174.700 0.157 0.000 1.031 32 T CA -0.660 61.522 62.100 0.136 0.000 1.127 32 T CB 0.671 69.648 68.868 0.182 0.000 0.952 32 T HN 0.658 nan 8.240 nan 0.000 0.540 33 C N 2.722 122.103 119.300 0.136 0.000 2.701 33 C HA 0.779 5.239 4.460 -0.000 0.000 0.336 33 C C -0.360 174.496 174.990 -0.222 0.000 1.123 33 C CA -0.364 58.638 59.018 -0.026 0.000 1.326 33 C CB 0.240 27.947 27.740 -0.055 0.000 1.833 33 C HN 1.315 nan 8.230 nan 0.000 0.473 34 A N 5.066 127.568 122.820 -0.529 0.000 2.271 34 A HA 0.689 5.009 4.320 -0.000 0.000 0.317 34 A C -0.997 176.368 177.584 -0.365 0.000 1.245 34 A CA -0.398 51.242 52.037 -0.661 0.000 0.857 34 A CB 0.779 18.934 19.000 -1.408 0.000 1.175 34 A HN 1.109 nan 8.150 nan 0.000 0.512 35 L N 4.072 125.181 121.223 -0.189 0.000 2.264 35 L HA 0.544 4.884 4.340 -0.000 0.000 0.287 35 L C -1.038 175.754 176.870 -0.130 0.000 1.039 35 L CA -0.289 54.458 54.840 -0.155 0.000 0.829 35 L CB 0.411 42.406 42.059 -0.107 0.000 1.211 35 L HN 0.576 nan 8.230 nan 0.000 0.427 36 L N 3.751 124.843 121.223 -0.218 0.000 2.379 36 L HA 0.736 5.076 4.340 -0.000 0.000 0.269 36 L C 0.191 177.008 176.870 -0.088 0.000 1.084 36 L CA 0.170 54.894 54.840 -0.195 0.000 0.802 36 L CB 1.683 43.514 42.059 -0.379 0.000 1.175 36 L HN 0.692 nan 8.230 nan 0.000 0.448 37 S N -0.002 115.700 115.700 0.003 0.000 2.570 37 S HA 0.292 4.762 4.470 -0.000 0.000 0.286 37 S C 0.097 174.754 174.600 0.095 0.000 1.143 37 S CA -0.719 57.491 58.200 0.017 0.000 0.921 37 S CB 0.840 64.033 63.200 -0.012 0.000 1.108 37 S HN 0.708 nan 8.310 nan 0.000 0.456 38 K N 1.995 122.445 120.400 0.083 0.000 2.487 38 K HA 0.237 4.557 4.320 -0.000 0.000 0.192 38 K C 0.600 177.277 176.600 0.128 0.000 1.027 38 K CA 0.526 56.898 56.287 0.141 0.000 1.054 38 K CB -0.242 32.385 32.500 0.211 0.000 0.824 38 K HN 0.485 nan 8.250 nan 0.000 0.510 39 V N -2.749 117.235 119.914 0.116 0.000 3.160 39 V HA 0.460 4.580 4.120 -0.000 0.000 0.310 39 V C -0.540 175.642 176.094 0.148 0.000 1.181 39 V CA -1.542 60.845 62.300 0.145 0.000 1.047 39 V CB 1.068 32.966 31.823 0.126 0.000 1.068 39 V HN 0.081 nan 8.190 nan 0.000 0.441 40 F N 3.717 123.688 119.950 0.036 0.000 2.608 40 F HA 0.342 4.869 4.527 -0.000 0.000 0.380 40 F C -1.402 174.337 175.800 -0.102 0.000 1.083 40 F CA -0.959 57.027 58.000 -0.024 0.000 1.266 40 F CB 1.013 39.984 39.000 -0.047 0.000 1.076 40 F HN 0.459 nan 8.300 nan 0.000 0.574 41 P HA -0.265 nan 4.420 nan 0.000 0.219 41 P C 1.369 178.395 177.300 -0.456 0.000 1.158 41 P CA 2.929 65.701 63.100 -0.546 0.000 0.895 41 P CB -0.295 31.014 31.700 -0.652 0.000 0.792 42 T N -4.061 110.129 114.554 -0.606 0.000 3.215 42 T HA 0.058 4.407 4.350 -0.000 0.000 0.254 42 T C 1.270 175.890 174.700 -0.134 0.000 1.149 42 T CA 0.211 62.054 62.100 -0.429 0.000 1.042 42 T CB -0.517 67.990 68.868 -0.602 0.000 0.966 42 T HN 0.040 nan 8.240 nan 0.000 0.534 43 R N 1.096 121.584 120.500 -0.019 0.000 2.362 43 R HA 0.323 4.663 4.340 -0.000 0.000 0.227 43 R C 0.499 176.828 176.300 0.049 0.000 0.905 43 R CA -0.082 56.056 56.100 0.064 0.000 1.067 43 R CB -0.076 30.301 30.300 0.128 0.000 1.078 43 R HN 0.347 nan 8.270 nan 0.000 0.516 44 S N 0.905 116.605 115.700 -0.001 0.000 2.576 44 S HA -0.048 4.421 4.470 -0.000 0.000 0.272 44 S C 1.122 175.764 174.600 0.069 0.000 1.352 44 S CA -0.226 57.993 58.200 0.031 0.000 1.021 44 S CB 0.725 63.919 63.200 -0.010 0.000 0.887 44 S HN 0.382 nan 8.310 nan 0.000 0.542 45 H N 1.702 120.778 119.070 0.009 0.000 2.489 45 H HA -0.060 4.496 4.556 -0.000 0.000 0.293 45 H C 1.819 177.161 175.328 0.023 0.000 1.066 45 H CA 2.088 58.146 56.048 0.017 0.000 1.305 45 H CB -0.463 29.302 29.762 0.006 0.000 1.386 45 H HN 0.608 nan 8.280 nan 0.000 0.551 46 T N -0.676 113.873 114.554 -0.009 0.000 2.778 46 T HA -0.185 4.165 4.350 -0.000 0.000 0.269 46 T C 2.126 176.782 174.700 -0.073 0.000 1.050 46 T CA 1.196 63.270 62.100 -0.044 0.000 1.137 46 T CB -0.626 68.238 68.868 -0.007 0.000 0.860 46 T HN 0.258 nan 8.240 nan 0.000 0.468 47 V N 1.118 120.998 119.914 -0.057 0.000 2.828 47 V HA -0.123 3.997 4.120 -0.000 0.000 0.260 47 V C 2.018 178.118 176.094 0.010 0.000 1.101 47 V CA 1.730 64.034 62.300 0.008 0.000 1.123 47 V CB -0.403 31.447 31.823 0.045 0.000 0.704 47 V HN 0.432 nan 8.190 nan 0.000 0.493 48 S N -0.011 115.609 115.700 -0.134 0.000 2.535 48 S HA 0.411 4.881 4.470 -0.000 0.000 0.214 48 S C 0.898 175.428 174.600 -0.116 0.000 0.980 48 S CA 0.338 58.447 58.200 -0.151 0.000 0.907 48 S CB 0.098 63.122 63.200 -0.294 0.000 0.790 48 S HN 0.682 nan 8.310 nan 0.000 0.510 49 A N 1.515 124.278 122.820 -0.094 0.000 2.540 49 A HA 0.235 4.555 4.320 -0.000 0.000 0.239 49 A C 0.846 178.448 177.584 0.030 0.000 1.061 49 A CA 0.088 52.118 52.037 -0.012 0.000 0.758 49 A CB 0.288 19.291 19.000 0.005 0.000 0.991 49 A HN 0.479 nan 8.150 nan 0.000 0.502 50 Q N 2.403 122.240 119.800 0.062 0.000 2.619 50 Q HA 0.138 4.478 4.340 -0.000 0.000 0.195 50 Q C 2.233 178.301 176.000 0.114 0.000 0.910 50 Q CA 0.387 56.237 55.803 0.078 0.000 0.862 50 Q CB -0.276 28.504 28.738 0.069 0.000 1.123 50 Q HN 0.885 nan 8.270 nan 0.000 0.636 51 G N 0.841 109.757 108.800 0.194 0.000 2.719 51 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.219 51 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.219 51 G C 0.683 175.590 174.900 0.011 0.000 1.234 51 G CA 1.345 46.601 45.100 0.260 0.000 0.788 51 G HN 0.614 nan 8.290 nan 0.000 0.619 52 G N -1.674 107.065 108.800 -0.101 0.000 2.332 52 G HA2 0.280 4.240 3.960 -0.000 0.000 0.265 52 G HA3 0.280 4.240 3.960 -0.000 0.000 0.265 52 G C -1.354 173.465 174.900 -0.136 0.000 1.329 52 G CA -0.418 44.632 45.100 -0.083 0.000 0.949 52 G HN 0.667 nan 8.290 nan 0.000 0.476 53 I N 1.379 121.904 120.570 -0.076 0.000 2.382 53 I HA 0.364 4.534 4.170 -0.000 0.000 0.286 53 I C 0.101 176.135 176.117 -0.138 0.000 1.002 53 I CA -0.616 60.646 61.300 -0.062 0.000 1.135 53 I CB 1.926 39.956 38.000 0.049 0.000 1.288 53 I HN 0.335 nan 8.210 nan 0.000 0.448 54 T N 6.007 120.462 114.554 -0.164 0.000 2.769 54 T HA 0.341 4.691 4.350 -0.000 0.000 0.293 54 T C -0.290 174.278 174.700 -0.220 0.000 0.931 54 T CA -0.029 61.944 62.100 -0.212 0.000 1.139 54 T CB 0.703 69.478 68.868 -0.154 0.000 0.881 54 T HN 0.387 nan 8.240 nan 0.000 0.532 55 V N 2.665 122.407 119.914 -0.286 0.000 3.000 55 V HA 0.679 4.799 4.120 -0.000 0.000 0.300 55 V C -0.844 175.111 176.094 -0.232 0.000 1.251 55 V CA -0.986 61.179 62.300 -0.225 0.000 0.972 55 V CB 2.012 33.763 31.823 -0.121 0.000 1.065 55 V HN 0.886 nan 8.190 nan 0.000 0.431 56 A N 6.243 128.981 122.820 -0.138 0.000 3.037 56 A HA 0.421 4.741 4.320 -0.000 0.000 0.272 56 A C 0.855 178.370 177.584 -0.116 0.000 1.723 56 A CA -0.062 51.914 52.037 -0.102 0.000 1.413 56 A CB -0.600 18.418 19.000 0.030 0.000 1.112 56 A HN 0.932 nan 8.150 nan 0.000 0.606 57 L N 1.029 122.149 121.223 -0.172 0.000 2.131 57 L HA 0.095 4.435 4.340 -0.000 0.000 0.206 57 L C 1.891 178.661 176.870 -0.168 0.000 1.087 57 L CA 0.987 55.723 54.840 -0.174 0.000 0.767 57 L CB -0.312 41.616 42.059 -0.218 0.000 0.917 57 L HN 0.803 nan 8.230 nan 0.000 0.441 58 G N 0.056 108.729 108.800 -0.212 0.000 2.171 58 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.238 58 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.238 58 G C 0.446 175.236 174.900 -0.183 0.000 1.039 58 G CA 0.479 45.450 45.100 -0.214 0.000 0.759 58 G HN 0.305 nan 8.290 nan 0.000 0.501 59 N N -0.079 118.500 118.700 -0.201 0.000 2.258 59 N HA 0.006 4.745 4.740 -0.000 0.000 0.183 59 N C 2.314 177.754 175.510 -0.116 0.000 1.029 59 N CA 1.726 54.691 53.050 -0.142 0.000 0.857 59 N CB -0.560 37.840 38.487 -0.146 0.000 1.008 59 N HN 0.333 nan 8.380 nan 0.000 0.433 60 T N 0.159 114.612 114.554 -0.168 0.000 2.867 60 T HA -0.065 4.285 4.350 -0.000 0.000 0.268 60 T C 0.104 174.821 174.700 0.028 0.000 1.057 60 T CA 1.342 63.395 62.100 -0.078 0.000 1.136 60 T CB -0.209 68.605 68.868 -0.090 0.000 0.874 60 T HN 0.624 nan 8.240 nan 0.000 0.466 61 H N -1.392 117.669 119.070 -0.014 0.000 3.037 61 H HA 0.571 5.127 4.556 -0.000 0.000 0.336 61 H C -1.144 174.195 175.328 0.020 0.000 1.323 61 H CA -1.105 54.952 56.048 0.014 0.000 1.159 61 H CB 0.511 30.294 29.762 0.035 0.000 1.882 61 H HN -0.041 nan 8.280 nan 0.000 0.535 62 E N 0.943 121.260 120.200 0.195 0.000 2.493 62 E HA 0.046 4.396 4.350 -0.000 0.000 0.255 62 E C -0.787 175.913 176.600 0.168 0.000 0.999 62 E CA 0.461 56.924 56.400 0.105 0.000 0.934 62 E CB 0.355 30.116 29.700 0.102 0.000 0.940 62 E HN 0.497 nan 8.360 nan 0.000 0.473 63 D N 2.531 122.877 120.400 -0.090 0.000 2.585 63 D HA 0.424 5.063 4.640 -0.000 0.000 0.254 63 D C -1.404 174.547 176.300 -0.582 0.000 1.067 63 D CA -0.637 53.254 54.000 -0.182 0.000 1.090 63 D CB 1.270 41.986 40.800 -0.140 0.000 1.408 63 D HN 0.354 nan 8.370 nan 0.000 0.554 64 N N 0.744 119.025 118.700 -0.698 0.000 2.493 64 N HA 0.058 4.798 4.740 -0.000 0.000 0.279 64 N C 0.625 175.901 175.510 -0.390 0.000 1.082 64 N CA -0.666 51.889 53.050 -0.825 0.000 0.963 64 N CB 0.753 38.183 38.487 -1.762 0.000 1.627 64 N HN 0.636 nan 8.380 nan 0.000 0.499 65 W N 3.409 124.611 121.300 -0.165 0.000 2.421 65 W HA 0.008 4.668 4.660 0.000 0.000 0.270 65 W C 0.436 177.017 176.519 0.103 0.000 1.233 65 W CA 0.564 57.919 57.345 0.018 0.000 1.226 65 W CB -0.274 29.189 29.460 0.005 0.000 1.121 65 W HN 0.562 nan 8.180 nan 0.000 0.579 66 E N 0.178 119.933 120.200 -0.741 0.000 2.152 66 E HA -0.162 4.188 4.350 -0.000 0.000 0.192 66 E C 1.959 178.634 176.600 0.124 0.000 0.983 66 E CA 1.520 57.672 56.400 -0.413 0.000 0.818 66 E CB -0.547 28.882 29.700 -0.452 0.000 0.758 66 E HN 0.186 nan 8.360 nan 0.000 0.467 67 W N 0.707 121.835 121.300 -0.287 0.000 2.363 67 W HA -0.130 4.530 4.660 -0.000 0.000 0.296 67 W C 2.103 178.647 176.519 0.042 0.000 1.212 67 W CA 0.880 58.042 57.345 -0.306 0.000 1.260 67 W CB -1.295 27.967 29.460 -0.329 0.000 1.131 67 W HN 0.333 nan 8.180 nan 0.000 0.530 68 H N -0.595 118.613 119.070 0.229 0.000 2.389 68 H HA -0.153 4.403 4.556 -0.000 0.000 0.299 68 H C 2.288 177.735 175.328 0.197 0.000 1.081 68 H CA 1.569 57.737 56.048 0.201 0.000 1.345 68 H CB -0.085 29.790 29.762 0.187 0.000 1.393 68 H HN 0.041 nan 8.280 nan 0.000 0.520 69 M N 0.096 119.819 119.600 0.206 0.000 2.117 69 M HA -0.226 4.254 4.480 -0.000 0.000 0.262 69 M C 2.161 178.462 176.300 0.000 0.000 1.065 69 M CA 1.706 57.097 55.300 0.151 0.000 1.114 69 M CB -0.317 32.533 32.600 0.416 0.000 1.361 69 M HN 0.360 nan 8.290 nan 0.000 0.408 70 Y N 1.397 121.580 120.300 -0.194 0.000 2.097 70 Y HA -0.313 4.237 4.550 -0.000 0.000 0.282 70 Y C 1.845 177.566 175.900 -0.299 0.000 1.152 70 Y CA 2.317 60.048 58.100 -0.614 0.000 1.136 70 Y CB -0.509 37.777 38.460 -0.291 0.000 0.975 70 Y HN 0.340 nan 8.280 nan 0.000 0.498 71 D N -0.652 119.764 120.400 0.027 0.000 2.149 71 D HA -0.170 4.470 4.640 -0.000 0.000 0.198 71 D C 2.083 178.337 176.300 -0.076 0.000 0.990 71 D CA 2.036 56.045 54.000 0.015 0.000 0.839 71 D CB -0.428 40.498 40.800 0.210 0.000 0.948 71 D HN 0.427 nan 8.370 nan 0.000 0.460 72 T N 0.501 115.018 114.554 -0.062 0.000 2.770 72 T HA -0.062 4.288 4.350 -0.000 0.000 0.263 72 T C 2.324 176.931 174.700 -0.154 0.000 1.039 72 T CA 0.618 62.680 62.100 -0.063 0.000 1.142 72 T CB -0.311 68.509 68.868 -0.080 0.000 0.868 72 T HN -0.038 nan 8.240 nan 0.000 0.435 73 V N 1.899 121.666 119.914 -0.245 0.000 2.287 73 V HA -0.200 3.920 4.120 -0.000 0.000 0.248 73 V C 2.523 178.244 176.094 -0.621 0.000 1.053 73 V CA 1.855 63.968 62.300 -0.313 0.000 1.027 73 V CB -0.566 31.116 31.823 -0.236 0.000 0.646 73 V HN 0.461 nan 8.190 nan 0.000 0.447 74 K N 0.353 120.295 120.400 -0.763 0.000 2.057 74 K HA -0.137 4.183 4.320 -0.000 0.000 0.207 74 K C 2.156 178.482 176.600 -0.457 0.000 1.049 74 K CA 1.692 57.466 56.287 -0.855 0.000 0.931 74 K CB -0.636 31.407 32.500 -0.761 0.000 0.714 74 K HN 0.465 nan 8.250 nan 0.000 0.440 75 G N 0.461 109.127 108.800 -0.223 0.000 2.422 75 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.218 75 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.218 75 G C 1.433 176.313 174.900 -0.032 0.000 1.146 75 G CA 1.075 46.166 45.100 -0.016 0.000 0.769 75 G HN 0.510 nan 8.290 nan 0.000 0.547 76 S N -0.152 115.490 115.700 -0.097 0.000 2.607 76 S HA 0.050 4.520 4.470 -0.000 0.000 0.224 76 S C 1.039 175.610 174.600 -0.048 0.000 0.969 76 S CA 0.946 59.125 58.200 -0.034 0.000 0.927 76 S CB 0.001 63.190 63.200 -0.018 0.000 0.772 76 S HN 0.309 nan 8.310 nan 0.000 0.533 77 D N 0.445 120.764 120.400 -0.135 0.000 2.911 77 D HA -0.264 4.376 4.640 -0.000 0.000 0.227 77 D C -0.572 175.803 176.300 0.124 0.000 1.164 77 D CA 1.046 55.035 54.000 -0.017 0.000 0.782 77 D CB -2.019 38.839 40.800 0.098 0.000 1.094 77 D HN 0.676 nan 8.370 nan 0.000 0.425 78 Y N -3.407 116.900 120.300 0.012 0.000 4.644 78 Y HA -0.318 4.232 4.550 -0.000 0.000 0.241 78 Y C 1.546 177.448 175.900 0.002 0.000 1.077 78 Y CA 1.078 59.187 58.100 0.015 0.000 2.080 78 Y CB -2.363 36.108 38.460 0.019 0.000 1.613 78 Y HN 0.481 nan 8.280 nan 0.000 0.686 79 I N -2.478 118.133 120.570 0.069 0.000 4.081 79 I HA 0.564 4.734 4.170 -0.000 0.000 0.333 79 I C 1.148 177.252 176.117 -0.020 0.000 1.413 79 I CA 0.094 61.365 61.300 -0.049 0.000 1.110 79 I CB 0.446 38.377 38.000 -0.116 0.000 1.082 79 I HN 0.149 nan 8.210 nan 0.000 0.402 80 G N 1.556 110.389 108.800 0.055 0.000 2.370 80 G HA2 0.191 4.151 3.960 -0.000 0.000 0.272 80 G HA3 0.191 4.151 3.960 -0.000 0.000 0.272 80 G C -0.639 174.334 174.900 0.122 0.000 1.208 80 G CA -0.310 44.849 45.100 0.098 0.000 0.856 80 G HN 0.186 nan 8.290 nan 0.000 0.500 81 D N 2.264 122.758 120.400 0.156 0.000 2.389 81 D HA 0.000 4.640 4.640 -0.000 0.000 0.263 81 D C 1.445 177.821 176.300 0.126 0.000 1.255 81 D CA 0.367 54.454 54.000 0.145 0.000 0.914 81 D CB 1.420 42.286 40.800 0.110 0.000 1.116 81 D HN 0.507 nan 8.370 nan 0.000 0.502 82 Q N 1.483 121.370 119.800 0.146 0.000 2.230 82 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 82 Q C 1.370 177.478 176.000 0.180 0.000 0.963 82 Q CA 0.850 56.761 55.803 0.180 0.000 0.866 82 Q CB 0.222 29.087 28.738 0.210 0.000 0.931 82 Q HN 0.543 nan 8.270 nan 0.000 0.452 83 D N 0.472 120.959 120.400 0.144 0.000 2.183 83 D HA -0.112 4.528 4.640 -0.000 0.000 0.203 83 D C 1.652 178.049 176.300 0.161 0.000 0.969 83 D CA 1.274 55.357 54.000 0.138 0.000 0.842 83 D CB -0.139 40.717 40.800 0.093 0.000 0.957 83 D HN 0.144 nan 8.370 nan 0.000 0.484 84 A N 0.984 123.894 122.820 0.149 0.000 1.897 84 A HA 0.055 4.375 4.320 -0.000 0.000 0.215 84 A C 2.547 180.304 177.584 0.289 0.000 1.181 84 A CA 0.802 52.965 52.037 0.209 0.000 0.620 84 A CB -0.702 18.357 19.000 0.097 0.000 0.821 84 A HN 0.235 nan 8.150 nan 0.000 0.443 85 I N -0.351 120.335 120.570 0.194 0.000 2.286 85 I HA -0.262 3.908 4.170 -0.000 0.000 0.248 85 I C 2.549 178.773 176.117 0.179 0.000 1.115 85 I CA 1.769 63.164 61.300 0.159 0.000 1.392 85 I CB -0.335 37.732 38.000 0.111 0.000 1.065 85 I HN 0.556 nan 8.210 nan 0.000 0.418 86 E N 0.773 121.110 120.200 0.229 0.000 2.058 86 E HA -0.307 4.042 4.350 -0.000 0.000 0.194 86 E C 2.301 178.940 176.600 0.065 0.000 0.997 86 E CA 1.561 58.109 56.400 0.247 0.000 0.801 86 E CB -0.256 29.607 29.700 0.272 0.000 0.746 86 E HN 0.516 nan 8.360 nan 0.000 0.450 87 Y N 0.747 121.038 120.300 -0.015 0.000 2.181 87 Y HA -0.239 4.311 4.550 -0.000 0.000 0.288 87 Y C 2.365 178.154 175.900 -0.185 0.000 1.146 87 Y CA 2.229 60.266 58.100 -0.105 0.000 1.164 87 Y CB -0.167 38.274 38.460 -0.031 0.000 0.982 87 Y HN 0.088 nan 8.280 nan 0.000 0.515 88 M N -1.046 118.557 119.600 0.004 0.000 2.077 88 M HA -0.239 4.241 4.480 -0.000 0.000 0.261 88 M C 2.130 178.345 176.300 -0.142 0.000 1.070 88 M CA 2.302 57.524 55.300 -0.130 0.000 1.125 88 M CB -0.547 32.090 32.600 0.063 0.000 1.339 88 M HN 0.441 nan 8.290 nan 0.000 0.409 89 C N 0.337 119.598 119.300 -0.065 0.000 2.440 89 C HA -0.094 4.366 4.460 -0.000 0.000 0.278 89 C C 2.626 177.577 174.990 -0.065 0.000 1.295 89 C CA 1.145 60.194 59.018 0.051 0.000 1.738 89 C CB -1.036 26.786 27.740 0.136 0.000 1.987 89 C HN 0.580 nan 8.230 nan 0.000 0.492 90 K N 1.328 121.469 120.400 -0.432 0.000 2.057 90 K HA -0.096 4.224 4.320 -0.000 0.000 0.206 90 K C 1.796 178.042 176.600 -0.590 0.000 1.050 90 K CA 2.025 57.764 56.287 -0.914 0.000 0.935 90 K CB -0.688 31.079 32.500 -1.223 0.000 0.715 90 K HN 0.382 nan 8.250 nan 0.000 0.439 91 T N -0.112 114.104 114.554 -0.564 0.000 3.023 91 T HA 0.063 4.413 4.350 -0.000 0.000 0.266 91 T C 1.610 176.119 174.700 -0.318 0.000 1.093 91 T CA 0.721 62.515 62.100 -0.509 0.000 1.129 91 T CB -0.482 67.919 68.868 -0.778 0.000 0.899 91 T HN 0.480 nan 8.240 nan 0.000 0.491 92 G N 2.940 111.597 108.800 -0.238 0.000 2.719 92 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.219 92 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.219 92 G C -0.675 174.153 174.900 -0.119 0.000 1.234 92 G CA 1.092 46.119 45.100 -0.122 0.000 0.788 92 G HN 0.373 nan 8.290 nan 0.000 0.619 93 P HA -0.155 nan 4.420 nan 0.000 0.217 93 P C 1.702 178.920 177.300 -0.136 0.000 1.162 93 P CA 1.864 64.890 63.100 -0.123 0.000 0.901 93 P CB -0.145 31.489 31.700 -0.111 0.000 0.793 94 E N -0.574 119.541 120.200 -0.142 0.000 2.085 94 E HA -0.228 4.122 4.350 -0.000 0.000 0.194 94 E C 1.917 178.445 176.600 -0.120 0.000 0.994 94 E CA 1.419 57.741 56.400 -0.130 0.000 0.801 94 E CB -0.561 29.059 29.700 -0.133 0.000 0.743 94 E HN 0.080 nan 8.360 nan 0.000 0.453 95 A N 0.937 123.684 122.820 -0.122 0.000 1.972 95 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 95 A C 2.051 179.598 177.584 -0.063 0.000 1.169 95 A CA 1.124 53.106 52.037 -0.092 0.000 0.635 95 A CB -0.306 18.632 19.000 -0.103 0.000 0.810 95 A HN 0.310 nan 8.150 nan 0.000 0.446 96 I N -0.301 120.226 120.570 -0.073 0.000 2.400 96 I HA -0.088 4.082 4.170 -0.000 0.000 0.248 96 I C 2.353 178.426 176.117 -0.072 0.000 1.109 96 I CA 0.782 62.060 61.300 -0.038 0.000 1.425 96 I CB -1.393 36.567 38.000 -0.067 0.000 1.094 96 I HN 0.263 nan 8.210 nan 0.000 0.425 97 L N 0.522 121.646 121.223 -0.165 0.000 2.127 97 L HA -0.220 4.120 4.340 -0.000 0.000 0.211 97 L C 2.491 179.152 176.870 -0.348 0.000 1.089 97 L CA 1.306 55.980 54.840 -0.276 0.000 0.757 97 L CB -0.501 41.385 42.059 -0.288 0.000 0.899 97 L HN 0.332 nan 8.230 nan 0.000 0.434 98 E N 0.573 120.661 120.200 -0.186 0.000 2.110 98 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 98 E C 2.337 178.924 176.600 -0.021 0.000 0.988 98 E CA 0.842 57.186 56.400 -0.092 0.000 0.804 98 E CB 0.038 29.716 29.700 -0.037 0.000 0.745 98 E HN 0.479 nan 8.360 nan 0.000 0.458 99 L N 0.879 122.108 121.223 0.011 0.000 2.093 99 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 99 L C 2.770 179.706 176.870 0.108 0.000 1.085 99 L CA 0.964 55.844 54.840 0.067 0.000 0.755 99 L CB -0.461 41.664 42.059 0.109 0.000 0.904 99 L HN 0.198 nan 8.230 nan 0.000 0.435 100 E N 0.380 120.670 120.200 0.149 0.000 2.110 100 E HA -0.231 4.118 4.350 -0.000 0.000 0.193 100 E C 1.945 178.640 176.600 0.159 0.000 0.988 100 E CA 1.522 58.042 56.400 0.201 0.000 0.804 100 E CB -0.085 29.696 29.700 0.136 0.000 0.745 100 E HN 0.636 nan 8.360 nan 0.000 0.458 101 H N -0.934 118.175 119.070 0.066 0.000 2.521 101 H HA 0.042 4.598 4.556 -0.000 0.000 0.286 101 H C 2.001 177.342 175.328 0.021 0.000 1.034 101 H CA 0.631 56.698 56.048 0.032 0.000 1.278 101 H CB 0.133 29.904 29.762 0.014 0.000 1.386 101 H HN 0.151 nan 8.280 nan 0.000 0.567 102 M N -0.781 118.899 119.600 0.134 0.000 2.492 102 M HA 0.051 4.531 4.480 -0.000 0.000 0.262 102 M C 1.358 177.685 176.300 0.045 0.000 1.090 102 M CA 1.016 56.354 55.300 0.064 0.000 1.110 102 M CB 0.817 33.437 32.600 0.034 0.000 1.407 102 M HN 0.523 nan 8.290 nan 0.000 0.470 103 G N 1.135 109.973 108.800 0.063 0.000 2.175 103 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.182 103 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.182 103 G C -0.084 174.822 174.900 0.010 0.000 1.003 103 G CA -0.597 44.528 45.100 0.042 0.000 0.666 103 G HN 0.384 nan 8.290 nan 0.000 0.506 104 L N 2.148 123.361 121.223 -0.017 0.000 2.559 104 L HA 0.371 4.711 4.340 -0.000 0.000 0.274 104 L C -1.499 175.274 176.870 -0.162 0.000 1.205 104 L CA -1.114 53.634 54.840 -0.154 0.000 0.907 104 L CB 0.770 42.646 42.059 -0.304 0.000 1.153 104 L HN -0.054 nan 8.230 nan 0.000 0.490 105 P HA 0.144 nan 4.420 nan 0.000 0.225 105 P C -0.806 176.451 177.300 -0.071 0.000 1.813 105 P CA -0.178 62.883 63.100 -0.065 0.000 1.013 105 P CB -0.312 31.364 31.700 -0.040 0.000 1.961 106 F N 0.349 120.319 119.950 0.033 0.000 2.553 106 F HA 0.044 4.571 4.527 -0.000 0.000 0.356 106 F C 1.626 177.455 175.800 0.049 0.000 1.142 106 F CA 0.670 58.696 58.000 0.043 0.000 1.322 106 F CB 0.196 39.217 39.000 0.035 0.000 1.126 106 F HN 0.048 nan 8.300 nan 0.000 0.599 107 S N 2.919 118.796 115.700 0.294 0.000 2.589 107 S HA 0.411 4.881 4.470 -0.000 0.000 0.265 107 S C 0.003 174.721 174.600 0.198 0.000 1.342 107 S CA -0.689 57.610 58.200 0.166 0.000 1.005 107 S CB 0.522 63.767 63.200 0.075 0.000 0.909 107 S HN 0.320 nan 8.310 nan 0.000 0.555 108 R N 0.941 121.506 120.500 0.108 0.000 2.686 108 R HA 0.483 4.823 4.340 -0.000 0.000 0.286 108 R C -0.558 175.804 176.300 0.104 0.000 0.969 108 R CA -0.631 55.535 56.100 0.110 0.000 0.898 108 R CB 0.866 31.209 30.300 0.072 0.000 1.183 108 R HN 0.519 nan 8.270 nan 0.000 0.456 109 L N 1.282 122.578 121.223 0.121 0.000 2.479 109 L HA 0.108 4.448 4.340 -0.000 0.000 0.248 109 L C 1.271 178.177 176.870 0.061 0.000 1.205 109 L CA -0.368 54.537 54.840 0.109 0.000 0.817 109 L CB 0.423 42.538 42.059 0.092 0.000 1.162 109 L HN 0.470 nan 8.230 nan 0.000 0.486 110 D N 0.260 120.692 120.400 0.052 0.000 2.178 110 D HA -0.167 4.473 4.640 -0.000 0.000 0.201 110 D C 1.274 177.591 176.300 0.029 0.000 0.980 110 D CA 1.327 55.348 54.000 0.035 0.000 0.842 110 D CB -0.190 40.629 40.800 0.032 0.000 0.948 110 D HN 0.627 nan 8.370 nan 0.000 0.472 111 D N -1.421 118.997 120.400 0.030 0.000 2.340 111 D HA 0.131 4.771 4.640 -0.000 0.000 0.220 111 D C 1.515 177.828 176.300 0.021 0.000 1.039 111 D CA 0.795 54.808 54.000 0.022 0.000 0.866 111 D CB 0.008 40.818 40.800 0.017 0.000 0.913 111 D HN 0.209 nan 8.370 nan 0.000 0.523 112 G N -0.217 108.600 108.800 0.028 0.000 2.195 112 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.224 112 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.224 112 G C 0.385 175.301 174.900 0.028 0.000 0.990 112 G CA -0.208 44.910 45.100 0.030 0.000 0.639 112 G HN 0.418 nan 8.290 nan 0.000 0.514 113 R N -0.164 120.346 120.500 0.017 0.000 2.583 113 R HA 0.596 4.936 4.340 -0.000 0.000 0.268 113 R C 0.910 177.206 176.300 -0.006 0.000 1.101 113 R CA -0.605 55.489 56.100 -0.010 0.000 1.180 113 R CB 0.636 30.917 30.300 -0.032 0.000 1.128 113 R HN 0.273 nan 8.270 nan 0.000 0.568 114 I N 2.008 122.531 120.570 -0.079 0.000 2.683 114 I HA -0.117 4.053 4.170 -0.000 0.000 0.286 114 I C 0.167 176.257 176.117 -0.045 0.000 1.175 114 I CA 0.226 61.456 61.300 -0.118 0.000 1.429 114 I CB -0.001 37.736 38.000 -0.439 0.000 1.371 114 I HN 0.457 nan 8.210 nan 0.000 0.569 115 Y N 7.298 127.568 120.300 -0.051 0.000 2.377 115 Y HA 0.172 4.722 4.550 -0.000 0.000 0.330 115 Y C -0.256 175.623 175.900 -0.036 0.000 1.108 115 Y CA -0.117 57.972 58.100 -0.018 0.000 1.308 115 Y CB 0.449 38.928 38.460 0.032 0.000 1.216 115 Y HN 0.493 nan 8.280 nan 0.000 0.518 116 Q N 6.832 126.165 119.800 -0.777 0.000 2.340 116 Q HA 0.420 4.760 4.340 -0.000 0.000 0.268 116 Q C -1.100 174.398 176.000 -0.836 0.000 1.031 116 Q CA -1.120 54.288 55.803 -0.658 0.000 0.804 116 Q CB 2.275 30.790 28.738 -0.372 0.000 1.286 116 Q HN 0.770 nan 8.270 nan 0.000 0.448 117 R N 0.930 121.114 120.500 -0.527 0.000 2.732 117 R HA 0.694 5.034 4.340 -0.000 0.000 0.278 117 R C -2.812 173.505 176.300 0.028 0.000 0.976 117 R CA -2.206 53.775 56.100 -0.199 0.000 0.963 117 R CB 0.557 30.906 30.300 0.081 0.000 1.150 117 R HN 0.188 nan 8.270 nan 0.000 0.478 118 P HA 0.081 nan 4.420 nan 0.000 0.269 118 P C -1.294 176.178 177.300 0.286 0.000 1.215 118 P CA 0.121 63.309 63.100 0.147 0.000 0.780 118 P CB 0.308 32.066 31.700 0.097 0.000 0.898 119 F N -0.420 119.532 119.950 0.004 0.000 2.745 119 F HA 0.530 5.057 4.527 -0.000 0.000 0.316 119 F C 0.422 176.215 175.800 -0.011 0.000 1.155 119 F CA -0.483 57.516 58.000 -0.001 0.000 0.937 119 F CB 1.158 40.157 39.000 -0.001 0.000 1.361 119 F HN 0.289 nan 8.300 nan 0.000 0.472 120 G N 0.364 109.135 108.800 -0.049 0.000 2.398 120 G HA2 0.419 4.379 3.960 -0.000 0.000 0.246 120 G HA3 0.419 4.379 3.960 -0.000 0.000 0.246 120 G C 0.587 175.512 174.900 0.043 0.000 1.289 120 G CA 0.304 45.361 45.100 -0.071 0.000 0.869 120 G HN 1.665 nan 8.290 nan 0.000 0.543 121 G N 0.895 109.704 108.800 0.015 0.000 2.298 121 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.287 121 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.287 121 G C 0.075 175.073 174.900 0.164 0.000 1.075 121 G CA 0.362 45.533 45.100 0.120 0.000 0.960 121 G HN 0.873 nan 8.290 nan 0.000 0.502 122 Q N -0.137 119.749 119.800 0.144 0.000 2.310 122 Q HA 0.633 4.973 4.340 -0.000 0.000 0.270 122 Q C -0.157 175.905 176.000 0.103 0.000 1.025 122 Q CA -0.113 55.775 55.803 0.141 0.000 0.772 122 Q CB 2.242 31.063 28.738 0.138 0.000 1.253 122 Q HN 0.776 nan 8.270 nan 0.000 0.450 123 S N 1.542 117.293 115.700 0.085 0.000 2.618 123 S HA 0.647 5.117 4.470 -0.000 0.000 0.277 123 S C -1.000 173.501 174.600 -0.166 0.000 1.138 123 S CA -1.086 57.098 58.200 -0.028 0.000 0.844 123 S CB 2.050 65.242 63.200 -0.015 0.000 1.127 123 S HN 0.413 nan 8.310 nan 0.000 0.474 124 K N 0.683 120.848 120.400 -0.391 0.000 2.123 124 K HA 0.510 4.830 4.320 -0.000 0.000 0.248 124 K C -0.555 175.275 176.600 -1.283 0.000 0.969 124 K CA -0.859 54.866 56.287 -0.937 0.000 0.882 124 K CB 0.361 32.400 32.500 -0.768 0.000 1.080 124 K HN 0.801 nan 8.250 nan 0.000 0.441 125 N N 0.996 118.240 118.700 -2.427 0.000 2.727 125 N HA -0.210 4.530 4.740 -0.000 0.000 0.249 125 N C -1.305 173.753 175.510 -0.754 0.000 1.048 125 N CA 0.576 52.794 53.050 -1.387 0.000 0.714 125 N CB -1.651 36.455 38.487 -0.635 0.000 0.959 125 N HN 0.605 nan 8.380 nan 0.000 0.544 126 F N -1.768 117.679 119.950 -0.838 0.000 2.695 126 F HA -0.138 4.389 4.527 -0.000 0.000 0.305 126 F C 1.435 176.634 175.800 -1.000 0.000 1.044 126 F CA 1.032 58.407 58.000 -1.043 0.000 1.049 126 F CB -1.768 36.764 39.000 -0.780 0.000 1.267 126 F HN 0.500 nan 8.300 nan 0.000 0.828 127 G N -0.761 107.775 108.800 -0.440 0.000 2.131 127 G HA2 0.122 4.082 3.960 -0.000 0.000 0.223 127 G HA3 0.122 4.082 3.960 -0.000 0.000 0.223 127 G C 0.728 175.565 174.900 -0.104 0.000 0.990 127 G CA -0.036 45.031 45.100 -0.055 0.000 0.671 127 G HN 1.401 nan 8.290 nan 0.000 0.521 128 G N -0.684 107.985 108.800 -0.218 0.000 2.975 128 G HA2 0.552 4.512 3.960 -0.000 0.000 0.159 128 G HA3 0.552 4.512 3.960 -0.000 0.000 0.159 128 G C 0.228 175.032 174.900 -0.160 0.000 1.525 128 G CA 0.309 45.291 45.100 -0.197 0.000 1.075 128 G HN 0.566 nan 8.290 nan 0.000 0.574 129 E N -0.080 120.008 120.200 -0.187 0.000 2.436 129 E HA 0.073 4.423 4.350 -0.000 0.000 0.262 129 E C 0.171 176.688 176.600 -0.138 0.000 1.063 129 E CA -0.184 56.128 56.400 -0.147 0.000 0.944 129 E CB 0.444 30.046 29.700 -0.164 0.000 0.950 129 E HN 0.301 nan 8.360 nan 0.000 0.444 130 Q N 1.498 121.246 119.800 -0.087 0.000 2.315 130 Q HA 0.172 4.512 4.340 -0.000 0.000 0.289 130 Q C -1.333 174.618 176.000 -0.082 0.000 1.044 130 Q CA 0.478 56.251 55.803 -0.051 0.000 0.920 130 Q CB 0.984 29.709 28.738 -0.022 0.000 1.214 130 Q HN 0.484 nan 8.270 nan 0.000 0.392 131 A N 2.879 125.695 122.820 -0.007 0.000 2.309 131 A HA 0.907 5.227 4.320 -0.000 0.000 0.317 131 A C -1.127 176.568 177.584 0.185 0.000 1.134 131 A CA -0.295 51.789 52.037 0.079 0.000 0.866 131 A CB 1.503 20.614 19.000 0.185 0.000 1.329 131 A HN 1.022 nan 8.150 nan 0.000 0.477 132 A N 0.601 123.649 122.820 0.381 0.000 2.855 132 A HA 0.563 4.883 4.320 -0.000 0.000 0.313 132 A C -0.001 177.583 177.584 -0.001 0.000 1.173 132 A CA -0.416 51.715 52.037 0.157 0.000 0.753 132 A CB 0.096 19.167 19.000 0.119 0.000 1.200 132 A HN 1.036 nan 8.150 nan 0.000 0.442 133 R N 0.242 120.712 120.500 -0.050 0.000 2.659 133 R HA 0.248 4.588 4.340 -0.000 0.000 0.418 133 R C -0.840 175.333 176.300 -0.212 0.000 1.076 133 R CA -0.125 55.871 56.100 -0.174 0.000 1.093 133 R CB 0.137 30.331 30.300 -0.177 0.000 1.400 133 R HN 0.242 nan 8.270 nan 0.000 0.583 134 T N 1.772 116.207 114.554 -0.199 0.000 2.891 134 T HA 0.429 4.779 4.350 -0.000 0.000 0.315 134 T C 0.160 174.730 174.700 -0.217 0.000 1.054 134 T CA -0.287 61.654 62.100 -0.265 0.000 0.958 134 T CB 1.021 69.628 68.868 -0.434 0.000 1.008 134 T HN 0.412 nan 8.240 nan 0.000 0.521 135 A N 3.200 125.911 122.820 -0.182 0.000 2.488 135 A HA 0.670 4.990 4.320 -0.000 0.000 0.249 135 A C 0.511 178.170 177.584 0.125 0.000 1.083 135 A CA -0.433 51.536 52.037 -0.113 0.000 0.768 135 A CB -0.003 18.835 19.000 -0.269 0.000 1.017 135 A HN 0.987 nan 8.150 nan 0.000 0.496 136 A N 1.403 124.390 122.820 0.279 0.000 2.556 136 A HA 0.790 5.110 4.320 -0.000 0.000 0.294 136 A C -0.247 177.565 177.584 0.380 0.000 1.091 136 A CA 0.016 52.245 52.037 0.319 0.000 0.704 136 A CB 1.347 20.501 19.000 0.257 0.000 1.300 136 A HN 2.259 nan 8.150 nan 0.000 0.406 137 A N 1.200 124.134 122.820 0.190 0.000 2.654 137 A HA 0.765 5.085 4.320 -0.000 0.000 0.345 137 A C 0.859 178.487 177.584 0.073 0.000 1.368 137 A CA 0.814 52.910 52.037 0.099 0.000 0.895 137 A CB -1.046 17.930 19.000 -0.039 0.000 1.143 137 A HN 2.842 nan 8.150 nan 0.000 0.490 138 A N 2.089 124.952 122.820 0.072 0.000 5.382 138 A HA -0.244 4.076 4.320 -0.000 0.000 0.307 138 A C 0.687 178.319 177.584 0.080 0.000 1.937 138 A CA 1.637 53.697 52.037 0.038 0.000 0.715 138 A CB -1.378 17.625 19.000 0.005 0.000 1.293 138 A HN 1.579 nan 8.150 nan 0.000 0.374 139 D N -0.458 119.975 120.400 0.056 0.000 2.788 139 D HA 0.398 5.038 4.640 -0.000 0.000 0.289 139 D C 0.450 176.779 176.300 0.049 0.000 1.340 139 D CA 0.002 54.044 54.000 0.071 0.000 0.831 139 D CB -0.175 40.664 40.800 0.066 0.000 1.103 139 D HN 0.586 nan 8.370 nan 0.000 0.476 140 R N -0.322 120.204 120.500 0.044 0.000 2.690 140 R HA 0.207 4.547 4.340 -0.000 0.000 0.419 140 R C 0.658 177.006 176.300 0.080 0.000 1.090 140 R CA -0.134 55.995 56.100 0.048 0.000 1.064 140 R CB 0.447 30.747 30.300 -0.001 0.000 1.391 140 R HN -0.015 nan 8.270 nan 0.000 0.586 141 T N 0.130 114.716 114.554 0.054 0.000 2.684 141 T HA -0.161 4.189 4.350 -0.000 0.000 0.267 141 T C 2.001 176.709 174.700 0.012 0.000 1.036 141 T CA 1.971 64.081 62.100 0.017 0.000 1.148 141 T CB -0.150 68.737 68.868 0.031 0.000 0.863 141 T HN 0.558 nan 8.240 nan 0.000 0.436 142 G N 0.467 109.289 108.800 0.037 0.000 2.440 142 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.218 142 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.218 142 G C 1.261 176.194 174.900 0.054 0.000 1.154 142 G CA 1.405 46.521 45.100 0.026 0.000 0.767 142 G HN 0.670 nan 8.290 nan 0.000 0.552 143 H N 0.998 120.080 119.070 0.019 0.000 2.321 143 H HA 0.115 4.671 4.556 -0.000 0.000 0.300 143 H C 2.678 178.076 175.328 0.117 0.000 1.087 143 H CA 2.106 58.211 56.048 0.095 0.000 1.319 143 H CB -0.268 29.535 29.762 0.068 0.000 1.379 143 H HN 0.279 nan 8.280 nan 0.000 0.501 144 A N 0.671 123.523 122.820 0.054 0.000 1.902 144 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 144 A C 2.415 179.935 177.584 -0.108 0.000 1.181 144 A CA 1.589 53.590 52.037 -0.059 0.000 0.623 144 A CB -0.963 17.980 19.000 -0.095 0.000 0.818 144 A HN 0.508 nan 8.150 nan 0.000 0.443 145 L N -0.846 120.317 121.223 -0.100 0.000 1.994 145 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 145 L C 2.257 179.090 176.870 -0.061 0.000 1.071 145 L CA 2.119 56.906 54.840 -0.088 0.000 0.745 145 L CB -0.719 41.306 42.059 -0.056 0.000 0.892 145 L HN 0.305 nan 8.230 nan 0.000 0.431 146 L N -0.591 120.590 121.223 -0.069 0.000 2.012 146 L HA -0.251 4.088 4.340 -0.000 0.000 0.210 146 L C 2.683 179.477 176.870 -0.126 0.000 1.073 146 L CA 1.929 56.704 54.840 -0.108 0.000 0.748 146 L CB -0.992 40.972 42.059 -0.157 0.000 0.891 146 L HN 0.436 nan 8.230 nan 0.000 0.431 147 H N -1.410 117.571 119.070 -0.150 0.000 2.353 147 H HA -0.117 4.439 4.556 -0.000 0.000 0.300 147 H C 2.020 177.337 175.328 -0.018 0.000 1.090 147 H CA 1.900 57.893 56.048 -0.093 0.000 1.327 147 H CB -0.249 29.374 29.762 -0.232 0.000 1.383 147 H HN 0.388 nan 8.280 nan 0.000 0.508 148 T N 1.428 116.011 114.554 0.049 0.000 2.746 148 T HA -0.104 4.245 4.350 -0.000 0.000 0.267 148 T C 2.428 177.130 174.700 0.004 0.000 1.039 148 T CA 0.762 62.869 62.100 0.012 0.000 1.142 148 T CB -0.294 68.555 68.868 -0.033 0.000 0.866 148 T HN 0.191 nan 8.240 nan 0.000 0.444 149 L N -0.502 120.720 121.223 -0.002 0.000 2.093 149 L HA -0.060 4.279 4.340 -0.000 0.000 0.208 149 L C 2.382 179.249 176.870 -0.005 0.000 1.085 149 L CA 1.342 56.175 54.840 -0.012 0.000 0.755 149 L CB -0.501 41.548 42.059 -0.016 0.000 0.904 149 L HN 0.267 nan 8.230 nan 0.000 0.435 150 Y N 0.939 121.171 120.300 -0.113 0.000 2.200 150 Y HA -0.271 4.279 4.550 -0.000 0.000 0.290 150 Y C 2.635 178.486 175.900 -0.081 0.000 1.137 150 Y CA 1.544 59.566 58.100 -0.130 0.000 1.163 150 Y CB -0.219 38.130 38.460 -0.184 0.000 0.988 150 Y HN 0.186 nan 8.280 nan 0.000 0.518 151 Q N -0.512 119.250 119.800 -0.064 0.000 2.124 151 Q HA -0.233 4.107 4.340 -0.000 0.000 0.202 151 Q C 2.169 178.065 176.000 -0.173 0.000 0.977 151 Q CA 1.577 57.306 55.803 -0.123 0.000 0.850 151 Q CB -0.146 28.588 28.738 -0.006 0.000 0.901 151 Q HN 0.496 nan 8.270 nan 0.000 0.429 152 Q N 0.248 119.973 119.800 -0.125 0.000 2.119 152 Q HA -0.068 4.272 4.340 -0.000 0.000 0.201 152 Q C 1.630 177.531 176.000 -0.165 0.000 0.972 152 Q CA 0.872 56.604 55.803 -0.118 0.000 0.847 152 Q CB -0.220 28.476 28.738 -0.070 0.000 0.903 152 Q HN 0.442 nan 8.270 nan 0.000 0.433 153 N N 0.398 118.976 118.700 -0.203 0.000 2.309 153 N HA -0.045 4.695 4.740 -0.000 0.000 0.182 153 N C 1.947 177.275 175.510 -0.303 0.000 1.018 153 N CA 0.550 53.466 53.050 -0.223 0.000 0.876 153 N CB 0.079 38.442 38.487 -0.207 0.000 0.972 153 N HN 0.239 nan 8.380 nan 0.000 0.434 154 L N 1.224 122.199 121.223 -0.413 0.000 2.027 154 L HA -0.122 4.218 4.340 -0.000 0.000 0.206 154 L C 2.545 179.162 176.870 -0.422 0.000 1.074 154 L CA 1.096 55.692 54.840 -0.406 0.000 0.745 154 L CB -0.379 41.429 42.059 -0.418 0.000 0.898 154 L HN 0.106 nan 8.230 nan 0.000 0.433 155 K N 0.351 120.544 120.400 -0.344 0.000 2.147 155 K HA -0.228 4.092 4.320 -0.000 0.000 0.205 155 K C 1.784 178.136 176.600 -0.414 0.000 1.049 155 K CA 1.490 57.568 56.287 -0.349 0.000 0.936 155 K CB -0.122 32.265 32.500 -0.189 0.000 0.722 155 K HN 0.303 nan 8.250 nan 0.000 0.446 156 N N -0.118 118.406 118.700 -0.293 0.000 2.412 156 N HA -0.112 4.628 4.740 -0.000 0.000 0.184 156 N C -0.633 174.833 175.510 -0.073 0.000 1.101 156 N CA 0.298 53.256 53.050 -0.154 0.000 0.881 156 N CB 0.193 38.623 38.487 -0.095 0.000 0.969 156 N HN 0.292 nan 8.380 nan 0.000 0.459 157 H N -0.322 118.701 119.070 -0.078 0.000 2.826 157 H HA -0.115 4.441 4.556 0.000 0.000 0.306 157 H C -0.503 174.784 175.328 -0.068 0.000 1.235 157 H CA 0.879 56.886 56.048 -0.070 0.000 1.150 157 H CB -2.407 27.328 29.762 -0.046 0.000 1.409 157 H HN 0.158 nan 8.280 nan 0.000 0.420 158 T N 1.498 116.034 114.554 -0.029 0.000 2.916 158 T HA 0.102 4.452 4.350 -0.000 0.000 0.303 158 T C 0.981 175.650 174.700 -0.052 0.000 1.025 158 T CA 0.199 62.273 62.100 -0.042 0.000 1.142 158 T CB 0.767 69.585 68.868 -0.082 0.000 0.947 158 T HN 0.220 nan 8.240 nan 0.000 0.544 159 T N 5.103 119.629 114.554 -0.046 0.000 2.750 159 T HA 0.278 4.628 4.350 -0.000 0.000 0.286 159 T C 0.380 174.980 174.700 -0.167 0.000 0.911 159 T CA -0.031 62.010 62.100 -0.098 0.000 1.130 159 T CB -0.535 68.331 68.868 -0.004 0.000 0.873 159 T HN 0.371 nan 8.240 nan 0.000 0.536 160 I N 3.597 124.037 120.570 -0.217 0.000 2.378 160 I HA 0.352 4.522 4.170 -0.000 0.000 0.291 160 I C -0.482 175.471 176.117 -0.274 0.000 0.992 160 I CA -0.809 60.395 61.300 -0.160 0.000 1.154 160 I CB 1.303 39.263 38.000 -0.068 0.000 1.315 160 I HN 0.522 nan 8.210 nan 0.000 0.448 161 F N 4.687 124.547 119.950 -0.150 0.000 2.329 161 F HA 0.224 4.751 4.527 -0.000 0.000 0.362 161 F C 1.029 176.900 175.800 0.120 0.000 1.113 161 F CA -0.235 57.671 58.000 -0.156 0.000 1.212 161 F CB 0.922 39.531 39.000 -0.652 0.000 1.509 161 F HN 0.373 nan 8.300 nan 0.000 0.546 162 S N 1.980 117.881 115.700 0.335 0.000 2.565 162 S HA 0.134 4.604 4.470 -0.000 0.000 0.276 162 S C 0.588 175.452 174.600 0.440 0.000 1.326 162 S CA -0.131 58.261 58.200 0.320 0.000 1.045 162 S CB 0.226 63.594 63.200 0.279 0.000 0.918 162 S HN 0.759 nan 8.310 nan 0.000 0.505 163 E N 1.245 121.630 120.200 0.309 0.000 2.389 163 E HA -0.202 4.148 4.350 -0.000 0.000 0.243 163 E C -1.512 175.187 176.600 0.165 0.000 1.154 163 E CA 0.625 57.152 56.400 0.212 0.000 0.723 163 E CB -1.220 28.591 29.700 0.186 0.000 1.261 163 E HN 0.576 nan 8.360 nan 0.000 0.390 164 W N 0.378 121.736 121.300 0.097 0.000 2.551 164 W HA 0.472 5.131 4.660 -0.000 0.000 0.330 164 W C 0.002 176.565 176.519 0.073 0.000 1.063 164 W CA -0.529 56.874 57.345 0.097 0.000 1.222 164 W CB 0.716 30.233 29.460 0.095 0.000 1.349 164 W HN 0.141 nan 8.180 nan 0.000 0.536 165 Y N 2.955 123.339 120.300 0.141 0.000 2.356 165 Y HA 0.628 5.177 4.550 -0.000 0.000 0.334 165 Y C 0.209 176.161 175.900 0.087 0.000 0.958 165 Y CA -1.170 56.964 58.100 0.058 0.000 1.196 165 Y CB 0.515 38.958 38.460 -0.029 0.000 1.137 165 Y HN 0.507 nan 8.280 nan 0.000 0.485 166 A N 6.993 129.609 122.820 -0.340 0.000 2.492 166 A HA 0.258 4.578 4.320 -0.000 0.000 0.254 166 A C 0.132 177.566 177.584 -0.249 0.000 1.091 166 A CA -0.033 51.868 52.037 -0.225 0.000 0.768 166 A CB 0.148 19.004 19.000 -0.240 0.000 1.028 166 A HN 1.087 nan 8.150 nan 0.000 0.498 167 L N 1.468 122.711 121.223 0.034 0.000 2.194 167 L HA 0.248 4.588 4.340 -0.000 0.000 0.197 167 L C 0.253 177.169 176.870 0.077 0.000 1.106 167 L CA 0.591 55.509 54.840 0.130 0.000 0.785 167 L CB -0.015 42.154 42.059 0.184 0.000 0.960 167 L HN 0.596 nan 8.230 nan 0.000 0.465 168 D N -1.196 119.249 120.400 0.075 0.000 2.609 168 D HA 0.401 5.041 4.640 -0.000 0.000 0.239 168 D C -1.018 175.318 176.300 0.060 0.000 1.229 168 D CA -0.489 53.545 54.000 0.058 0.000 0.808 168 D CB 2.683 43.521 40.800 0.063 0.000 1.448 168 D HN -0.124 nan 8.370 nan 0.000 0.433 169 L N 0.686 121.936 121.223 0.046 0.000 2.439 169 L HA 0.290 4.630 4.340 -0.000 0.000 0.269 169 L C 0.075 176.977 176.870 0.054 0.000 1.179 169 L CA -0.487 54.387 54.840 0.056 0.000 0.828 169 L CB 0.673 42.755 42.059 0.038 0.000 1.106 169 L HN 0.014 nan 8.230 nan 0.000 0.467 170 V N 3.031 122.993 119.914 0.079 0.000 2.370 170 V HA 0.316 4.436 4.120 -0.000 0.000 0.283 170 V C 0.023 176.138 176.094 0.035 0.000 1.023 170 V CA -0.766 61.553 62.300 0.032 0.000 0.857 170 V CB 1.325 33.151 31.823 0.006 0.000 0.985 170 V HN 0.654 nan 8.190 nan 0.000 0.443 171 K N 3.842 124.243 120.400 0.001 0.000 2.164 171 K HA 0.481 4.801 4.320 -0.000 0.000 0.258 171 K C -0.303 176.294 176.600 -0.005 0.000 0.951 171 K CA -0.781 55.509 56.287 0.006 0.000 0.844 171 K CB 1.678 34.177 32.500 -0.002 0.000 1.099 171 K HN 0.806 nan 8.250 nan 0.000 0.435 172 N N 0.733 119.437 118.700 0.007 0.000 2.413 172 N HA -0.056 4.684 4.740 -0.000 0.000 0.266 172 N C 0.684 176.192 175.510 -0.004 0.000 1.238 172 N CA -0.362 52.689 53.050 0.003 0.000 0.972 172 N CB 0.365 38.863 38.487 0.018 0.000 1.210 172 N HN 0.622 nan 8.380 nan 0.000 0.547 173 Q N -1.537 118.260 119.800 -0.005 0.000 2.364 173 Q HA -0.092 4.248 4.340 -0.000 0.000 0.209 173 Q C -0.357 175.639 176.000 -0.006 0.000 0.977 173 Q CA 1.362 57.160 55.803 -0.008 0.000 0.885 173 Q CB -0.239 28.495 28.738 -0.007 0.000 0.941 173 Q HN 0.516 nan 8.270 nan 0.000 0.464 174 D N 0.302 120.700 120.400 -0.003 0.000 2.340 174 D HA 0.090 4.730 4.640 -0.000 0.000 0.220 174 D C 0.945 177.241 176.300 -0.008 0.000 1.039 174 D CA 0.946 54.944 54.000 -0.004 0.000 0.866 174 D CB 0.606 41.406 40.800 -0.000 0.000 0.913 174 D HN 0.540 nan 8.370 nan 0.000 0.523 175 G N 0.472 109.267 108.800 -0.008 0.000 2.157 175 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.248 175 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.248 175 G C 0.477 175.370 174.900 -0.011 0.000 0.979 175 G CA 0.182 45.275 45.100 -0.012 0.000 0.650 175 G HN 0.598 nan 8.290 nan 0.000 0.529 176 A N -0.197 122.622 122.820 -0.002 0.000 2.327 176 A HA 0.756 5.075 4.320 -0.000 0.000 0.283 176 A C 0.527 178.123 177.584 0.019 0.000 1.127 176 A CA -0.050 51.989 52.037 0.002 0.000 0.810 176 A CB 1.304 20.311 19.000 0.011 0.000 1.066 176 A HN 1.120 nan 8.150 nan 0.000 0.492 177 V N 2.875 122.802 119.914 0.021 0.000 2.455 177 V HA 0.232 4.352 4.120 -0.000 0.000 0.273 177 V C 0.853 176.999 176.094 0.087 0.000 1.045 177 V CA 0.454 62.783 62.300 0.048 0.000 0.976 177 V CB 0.983 32.830 31.823 0.039 0.000 0.993 177 V HN 0.973 nan 8.190 nan 0.000 0.475 178 V N 2.123 122.110 119.914 0.121 0.000 2.988 178 V HA 0.881 5.001 4.120 -0.000 0.000 0.356 178 V C 0.562 176.801 176.094 0.242 0.000 1.380 178 V CA 0.425 62.824 62.300 0.165 0.000 1.184 178 V CB -0.477 31.449 31.823 0.171 0.000 1.204 178 V HN 1.269 nan 8.190 nan 0.000 0.530 179 G N -0.364 108.565 108.800 0.215 0.000 2.280 179 G HA2 0.277 4.237 3.960 -0.000 0.000 0.277 179 G HA3 0.277 4.237 3.960 -0.000 0.000 0.277 179 G C -0.561 174.494 174.900 0.258 0.000 1.288 179 G CA 0.312 45.553 45.100 0.234 0.000 1.075 179 G HN 1.888 nan 8.290 nan 0.000 0.480 180 C N -1.902 117.588 119.300 0.317 0.000 3.307 180 C HA 0.924 5.384 4.460 -0.000 0.000 0.333 180 C C 0.218 175.430 174.990 0.370 0.000 1.291 180 C CA 0.284 59.457 59.018 0.259 0.000 1.273 180 C CB 1.137 28.947 27.740 0.117 0.000 1.580 180 C HN 2.128 nan 8.230 nan 0.000 0.481 181 T N 0.278 115.000 114.554 0.280 0.000 2.882 181 T HA 0.791 5.141 4.350 -0.000 0.000 0.287 181 T C -0.107 174.768 174.700 0.291 0.000 0.992 181 T CA 0.261 62.544 62.100 0.304 0.000 1.076 181 T CB 1.379 70.369 68.868 0.203 0.000 0.961 181 T HN 2.235 nan 8.240 nan 0.000 0.490 182 A N 2.329 125.390 122.820 0.401 0.000 2.475 182 A HA 0.732 5.052 4.320 -0.000 0.000 0.301 182 A C -1.152 176.702 177.584 0.450 0.000 1.059 182 A CA -0.986 51.315 52.037 0.439 0.000 0.710 182 A CB 1.624 20.960 19.000 0.561 0.000 1.288 182 A HN 0.953 nan 8.150 nan 0.000 0.408 183 L N 2.309 123.730 121.223 0.329 0.000 2.280 183 L HA 0.536 4.876 4.340 -0.000 0.000 0.287 183 L C -0.163 176.615 176.870 -0.154 0.000 1.023 183 L CA -0.406 54.499 54.840 0.110 0.000 0.819 183 L CB 0.898 43.002 42.059 0.075 0.000 1.212 183 L HN 0.776 nan 8.230 nan 0.000 0.420 184 C N 6.704 125.641 119.300 -0.605 0.000 2.595 184 C HA 0.195 4.655 4.460 -0.000 0.000 0.374 184 C C 1.991 176.620 174.990 -0.601 0.000 1.250 184 C CA -0.414 57.877 59.018 -1.212 0.000 1.595 184 C CB -1.697 25.137 27.740 -1.511 0.000 2.257 184 C HN 0.963 nan 8.230 nan 0.000 0.568 185 I N 3.313 123.578 120.570 -0.509 0.000 2.248 185 I HA -0.188 3.981 4.170 -0.000 0.000 0.248 185 I C 2.529 178.384 176.117 -0.436 0.000 1.107 185 I CA 1.848 62.853 61.300 -0.492 0.000 1.373 185 I CB -0.398 37.227 38.000 -0.626 0.000 1.055 185 I HN 0.812 nan 8.210 nan 0.000 0.418 186 E N 0.792 120.842 120.200 -0.250 0.000 2.028 186 E HA -0.231 4.119 4.350 -0.000 0.000 0.191 186 E C 2.134 178.734 176.600 -0.000 0.000 0.988 186 E CA 2.224 58.654 56.400 0.051 0.000 0.799 186 E CB 0.076 29.848 29.700 0.120 0.000 0.755 186 E HN 0.563 nan 8.360 nan 0.000 0.447 187 T N -4.109 110.389 114.554 -0.093 0.000 3.040 187 T HA 0.287 4.637 4.350 -0.000 0.000 0.252 187 T C 1.500 176.154 174.700 -0.077 0.000 1.064 187 T CA 0.786 62.853 62.100 -0.055 0.000 1.110 187 T CB 0.697 69.544 68.868 -0.035 0.000 0.921 187 T HN 0.375 nan 8.240 nan 0.000 0.480 188 G N 1.296 110.008 108.800 -0.147 0.000 2.176 188 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.232 188 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.232 188 G C -0.154 174.692 174.900 -0.090 0.000 0.986 188 G CA 0.159 45.188 45.100 -0.119 0.000 0.643 188 G HN 0.854 nan 8.290 nan 0.000 0.522 189 E N 0.595 120.735 120.200 -0.100 0.000 2.376 189 E HA 0.393 4.743 4.350 -0.000 0.000 0.266 189 E C 0.056 176.665 176.600 0.014 0.000 1.009 189 E CA -0.253 56.135 56.400 -0.020 0.000 0.902 189 E CB 0.698 30.418 29.700 0.032 0.000 0.972 189 E HN 0.152 nan 8.360 nan 0.000 0.439 190 V N 5.287 125.252 119.914 0.085 0.000 2.427 190 V HA 0.353 4.473 4.120 -0.000 0.000 0.286 190 V C -0.131 176.079 176.094 0.194 0.000 1.034 190 V CA -0.593 61.797 62.300 0.150 0.000 0.893 190 V CB 1.570 33.461 31.823 0.114 0.000 0.982 190 V HN 0.482 nan 8.190 nan 0.000 0.452 191 V N 4.151 124.230 119.914 0.275 0.000 2.876 191 V HA 0.389 4.509 4.120 -0.000 0.000 0.312 191 V C -1.316 174.868 176.094 0.150 0.000 1.085 191 V CA -0.910 61.478 62.300 0.147 0.000 0.945 191 V CB 2.340 34.172 31.823 0.015 0.000 1.017 191 V HN 0.746 nan 8.190 nan 0.000 0.428 192 Y N 3.683 123.934 120.300 -0.081 0.000 2.454 192 Y HA 0.560 5.110 4.550 -0.000 0.000 0.345 192 Y C -0.731 175.086 175.900 -0.138 0.000 0.970 192 Y CA -1.840 56.240 58.100 -0.033 0.000 1.204 192 Y CB 0.586 39.040 38.460 -0.010 0.000 1.122 192 Y HN 0.483 nan 8.280 nan 0.000 0.514 193 F N 6.494 126.316 119.950 -0.212 0.000 2.464 193 F HA 0.251 4.778 4.527 0.000 0.000 0.353 193 F C 0.657 176.130 175.800 -0.544 0.000 1.191 193 F CA -0.232 57.561 58.000 -0.345 0.000 1.147 193 F CB 0.345 39.199 39.000 -0.244 0.000 1.294 193 F HN 0.379 nan 8.300 nan 0.000 0.583 194 K N 3.141 123.127 120.400 -0.689 0.000 2.249 194 K HA 0.742 5.062 4.320 -0.000 0.000 0.280 194 K C -0.739 175.801 176.600 -0.099 0.000 1.033 194 K CA -0.256 55.694 56.287 -0.561 0.000 0.946 194 K CB 0.733 32.894 32.500 -0.564 0.000 1.005 194 K HN 0.675 nan 8.250 nan 0.000 0.469 195 A N 3.823 126.647 122.820 0.007 0.000 2.612 195 A HA 0.365 4.685 4.320 -0.000 0.000 0.293 195 A C -0.326 177.306 177.584 0.081 0.000 1.075 195 A CA -0.852 51.226 52.037 0.068 0.000 0.680 195 A CB 1.460 20.512 19.000 0.087 0.000 1.279 195 A HN 0.894 nan 8.150 nan 0.000 0.411 196 R N -0.025 120.522 120.500 0.077 0.000 2.246 196 R HA 0.405 4.745 4.340 -0.000 0.000 0.199 196 R C 0.475 176.859 176.300 0.139 0.000 0.984 196 R CA 1.310 57.465 56.100 0.091 0.000 1.015 196 R CB 0.414 30.755 30.300 0.068 0.000 0.930 196 R HN 0.848 nan 8.270 nan 0.000 0.475 197 A N 0.343 123.230 122.820 0.112 0.000 2.414 197 A HA 0.443 4.763 4.320 -0.000 0.000 0.286 197 A C -0.945 176.702 177.584 0.104 0.000 1.073 197 A CA -0.586 51.541 52.037 0.149 0.000 0.727 197 A CB 1.455 20.357 19.000 -0.164 0.000 1.215 197 A HN -0.009 nan 8.150 nan 0.000 0.430 198 T N 2.445 117.135 114.554 0.227 0.000 2.770 198 T HA 0.457 4.806 4.350 -0.000 0.000 0.297 198 T C -0.322 174.485 174.700 0.179 0.000 0.997 198 T CA -0.194 61.987 62.100 0.134 0.000 0.949 198 T CB 0.788 69.722 68.868 0.110 0.000 0.941 198 T HN 0.444 nan 8.240 nan 0.000 0.457 199 V N 5.773 125.724 119.914 0.063 0.000 2.333 199 V HA 0.317 4.437 4.120 -0.000 0.000 0.274 199 V C 0.251 176.358 176.094 0.023 0.000 1.028 199 V CA -0.765 61.578 62.300 0.071 0.000 0.851 199 V CB 0.799 32.608 31.823 -0.023 0.000 1.000 199 V HN 0.776 nan 8.190 nan 0.000 0.456 200 L N 4.764 126.012 121.223 0.041 0.000 2.315 200 L HA 0.558 4.898 4.340 -0.000 0.000 0.283 200 L C 0.651 177.516 176.870 -0.007 0.000 1.089 200 L CA 0.090 54.928 54.840 -0.003 0.000 0.833 200 L CB 0.989 43.045 42.059 -0.006 0.000 1.170 200 L HN 0.775 nan 8.230 nan 0.000 0.442 201 A N 1.495 124.299 122.820 -0.027 0.000 3.410 201 A HA 0.299 4.619 4.320 -0.000 0.000 0.276 201 A C 0.679 178.244 177.584 -0.032 0.000 0.995 201 A CA -0.262 51.764 52.037 -0.020 0.000 0.934 201 A CB 0.003 18.995 19.000 -0.013 0.000 1.191 201 A HN 0.717 nan 8.150 nan 0.000 0.511 202 T N -2.913 111.616 114.554 -0.041 0.000 3.086 202 T HA 0.485 4.835 4.350 -0.000 0.000 0.250 202 T C 1.209 175.887 174.700 -0.037 0.000 1.074 202 T CA 0.925 62.995 62.100 -0.049 0.000 0.988 202 T CB 0.002 68.830 68.868 -0.067 0.000 0.988 202 T HN 2.139 nan 8.240 nan 0.000 0.530 203 G N 0.304 109.082 108.800 -0.036 0.000 2.568 203 G HA2 0.218 4.178 3.960 -0.000 0.000 0.222 203 G HA3 0.218 4.178 3.960 -0.000 0.000 0.222 203 G C 0.148 174.993 174.900 -0.091 0.000 1.321 203 G CA -0.441 44.635 45.100 -0.040 0.000 0.893 203 G HN 0.882 nan 8.290 nan 0.000 0.569 204 G N -1.676 107.054 108.800 -0.116 0.000 2.574 204 G HA2 0.760 4.720 3.960 -0.000 0.000 0.248 204 G HA3 0.760 4.720 3.960 -0.000 0.000 0.248 204 G C 0.414 175.290 174.900 -0.039 0.000 1.422 204 G CA 0.842 45.850 45.100 -0.153 0.000 1.051 204 G HN 2.235 nan 8.290 nan 0.000 0.560 205 A N -1.285 121.596 122.820 0.101 0.000 3.214 205 A HA 0.548 4.867 4.320 -0.000 0.000 0.203 205 A C 1.231 178.925 177.584 0.183 0.000 0.960 205 A CA 0.767 52.901 52.037 0.161 0.000 1.113 205 A CB 0.089 19.209 19.000 0.200 0.000 1.280 205 A HN 1.296 nan 8.150 nan 0.000 0.573 206 G N 0.075 108.924 108.800 0.081 0.000 2.498 206 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.219 206 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.219 206 G C 1.218 176.081 174.900 -0.062 0.000 1.119 206 G CA 0.362 45.444 45.100 -0.029 0.000 0.766 206 G HN 0.385 nan 8.290 nan 0.000 0.552 207 R N 0.573 121.038 120.500 -0.058 0.000 2.323 207 R HA 0.075 4.415 4.340 -0.000 0.000 0.198 207 R C 2.225 178.487 176.300 -0.064 0.000 0.988 207 R CA 0.178 56.246 56.100 -0.053 0.000 1.041 207 R CB -0.504 29.772 30.300 -0.040 0.000 0.926 207 R HN 0.752 nan 8.270 nan 0.000 0.476 208 I N -3.438 117.056 120.570 -0.127 0.000 3.444 208 I HA 0.024 4.194 4.170 -0.000 0.000 0.287 208 I C -0.064 175.826 176.117 -0.379 0.000 1.302 208 I CA 0.382 61.532 61.300 -0.250 0.000 1.368 208 I CB -0.133 37.653 38.000 -0.356 0.000 1.048 208 I HN -0.212 nan 8.210 nan 0.000 0.487 209 Y N 0.690 120.869 120.300 -0.202 0.000 2.602 209 Y HA 0.320 4.870 4.550 -0.000 0.000 0.330 209 Y C 1.429 177.296 175.900 -0.055 0.000 1.114 209 Y CA -0.496 57.526 58.100 -0.129 0.000 1.182 209 Y CB 1.156 39.518 38.460 -0.162 0.000 1.305 209 Y HN -0.151 nan 8.280 nan 0.000 0.502 210 Q N 0.193 120.107 119.800 0.189 0.000 2.187 210 Q HA -0.003 4.337 4.340 -0.000 0.000 0.199 210 Q C -0.134 175.930 176.000 0.107 0.000 0.957 210 Q CA 0.726 56.603 55.803 0.124 0.000 0.857 210 Q CB 0.345 29.169 28.738 0.143 0.000 0.929 210 Q HN 0.445 nan 8.270 nan 0.000 0.453 211 S N -0.375 115.403 115.700 0.130 0.000 2.647 211 S HA 0.489 4.959 4.470 -0.000 0.000 0.300 211 S C -1.099 173.521 174.600 0.034 0.000 1.129 211 S CA -0.508 57.736 58.200 0.074 0.000 1.029 211 S CB 1.806 65.058 63.200 0.088 0.000 1.007 211 S HN 0.175 nan 8.310 nan 0.000 0.484 212 T N 1.363 115.908 114.554 -0.014 0.000 2.868 212 T HA 0.477 4.827 4.350 -0.000 0.000 0.306 212 T C 1.036 175.709 174.700 -0.045 0.000 1.224 212 T CA 0.115 62.185 62.100 -0.049 0.000 1.012 212 T CB 1.440 70.260 68.868 -0.079 0.000 1.221 212 T HN 0.720 nan 8.240 nan 0.000 0.499 213 T N 0.307 114.860 114.554 -0.000 0.000 3.081 213 T HA 0.233 4.583 4.350 -0.000 0.000 0.255 213 T C 0.641 175.370 174.700 0.048 0.000 1.113 213 T CA 0.067 62.194 62.100 0.045 0.000 1.082 213 T CB -0.578 68.400 68.868 0.184 0.000 0.939 213 T HN 0.584 nan 8.240 nan 0.000 0.506 214 N N 1.480 120.120 118.700 -0.099 0.000 2.482 214 N HA 0.478 5.218 4.740 -0.000 0.000 0.260 214 N C 0.208 175.575 175.510 -0.238 0.000 1.236 214 N CA -0.452 52.380 53.050 -0.364 0.000 0.938 214 N CB 0.647 38.891 38.487 -0.405 0.000 1.128 214 N HN 0.435 nan 8.380 nan 0.000 0.448 215 A N 0.969 123.654 122.820 -0.225 0.000 2.366 215 A HA -0.005 4.315 4.320 -0.000 0.000 0.250 215 A C 0.969 178.495 177.584 -0.097 0.000 1.099 215 A CA -0.106 51.917 52.037 -0.024 0.000 0.794 215 A CB 0.081 19.183 19.000 0.171 0.000 1.056 215 A HN 0.801 nan 8.150 nan 0.000 0.499 216 H N 0.464 119.542 119.070 0.014 0.000 2.489 216 H HA -0.124 4.432 4.556 -0.000 0.000 0.293 216 H C 1.679 177.010 175.328 0.004 0.000 1.066 216 H CA 2.075 58.127 56.048 0.006 0.000 1.305 216 H CB -0.085 29.688 29.762 0.019 0.000 1.386 216 H HN 0.714 nan 8.280 nan 0.000 0.551 217 I N -1.343 119.296 120.570 0.116 0.000 3.578 217 I HA 0.032 4.202 4.170 -0.000 0.000 0.295 217 I C -0.256 175.883 176.117 0.036 0.000 1.280 217 I CA 0.125 61.475 61.300 0.084 0.000 1.347 217 I CB -0.094 37.962 38.000 0.094 0.000 1.051 217 I HN -0.178 nan 8.210 nan 0.000 0.460 218 N N 2.774 121.461 118.700 -0.022 0.000 2.739 218 N HA 0.088 4.828 4.740 -0.000 0.000 0.266 218 N C 0.826 176.325 175.510 -0.017 0.000 1.168 218 N CA 0.468 53.484 53.050 -0.057 0.000 1.055 218 N CB 0.481 38.867 38.487 -0.168 0.000 1.393 218 N HN 0.425 nan 8.380 nan 0.000 0.514 219 T N -3.006 111.556 114.554 0.014 0.000 3.084 219 T HA 0.254 4.604 4.350 -0.000 0.000 0.270 219 T C 1.092 175.813 174.700 0.034 0.000 1.008 219 T CA -0.108 62.009 62.100 0.029 0.000 0.900 219 T CB -0.020 68.878 68.868 0.050 0.000 1.084 219 T HN 0.384 nan 8.240 nan 0.000 0.538 220 G N 2.272 111.086 108.800 0.024 0.000 2.323 220 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.292 220 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.292 220 G C 0.358 175.264 174.900 0.011 0.000 1.040 220 G CA 0.284 45.395 45.100 0.018 0.000 0.942 220 G HN 0.486 nan 8.290 nan 0.000 0.506 221 D N -0.000 120.401 120.400 0.001 0.000 2.182 221 D HA -0.068 4.571 4.640 -0.000 0.000 0.201 221 D C 2.449 178.729 176.300 -0.033 0.000 0.986 221 D CA 1.672 55.664 54.000 -0.014 0.000 0.847 221 D CB -0.598 40.155 40.800 -0.078 0.000 0.942 221 D HN 0.573 nan 8.370 nan 0.000 0.467 222 G N 0.585 109.360 108.800 -0.042 0.000 2.418 222 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.217 222 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.217 222 G C 1.845 176.731 174.900 -0.023 0.000 1.158 222 G CA 0.760 45.836 45.100 -0.041 0.000 0.771 222 G HN 0.250 nan 8.290 nan 0.000 0.545 223 V N 1.556 121.460 119.914 -0.017 0.000 2.295 223 V HA -0.067 4.053 4.120 -0.000 0.000 0.246 223 V C 3.145 179.248 176.094 0.015 0.000 1.049 223 V CA 2.035 64.332 62.300 -0.006 0.000 1.024 223 V CB -1.115 30.705 31.823 -0.005 0.000 0.648 223 V HN 0.431 nan 8.190 nan 0.000 0.447 224 G N -0.662 108.151 108.800 0.021 0.000 2.421 224 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.216 224 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.216 224 G C 1.637 176.558 174.900 0.036 0.000 1.171 224 G CA 1.150 46.272 45.100 0.037 0.000 0.775 224 G HN 0.424 nan 8.290 nan 0.000 0.543 225 M N 0.730 120.342 119.600 0.020 0.000 2.159 225 M HA 0.014 4.493 4.480 -0.000 0.000 0.263 225 M C 3.045 179.356 176.300 0.017 0.000 1.063 225 M CA 1.318 56.628 55.300 0.017 0.000 1.110 225 M CB -0.221 32.376 32.600 -0.005 0.000 1.374 225 M HN 0.325 nan 8.290 nan 0.000 0.411 226 A N 0.812 123.639 122.820 0.012 0.000 1.858 226 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 226 A C 2.072 179.674 177.584 0.029 0.000 1.190 226 A CA 1.471 53.515 52.037 0.012 0.000 0.617 226 A CB -0.891 18.111 19.000 0.003 0.000 0.827 226 A HN 0.434 nan 8.150 nan 0.000 0.443 227 I N -0.843 119.758 120.570 0.052 0.000 2.163 227 I HA -0.275 3.895 4.170 -0.000 0.000 0.243 227 I C 2.637 178.791 176.117 0.061 0.000 1.085 227 I CA 1.489 62.842 61.300 0.088 0.000 1.347 227 I CB -0.365 37.714 38.000 0.131 0.000 1.044 227 I HN 0.289 nan 8.210 nan 0.000 0.408 228 R N 0.568 121.096 120.500 0.047 0.000 2.285 228 R HA -0.025 4.315 4.340 -0.000 0.000 0.213 228 R C 1.902 178.215 176.300 0.021 0.000 1.068 228 R CA 1.003 57.123 56.100 0.034 0.000 1.004 228 R CB -0.168 30.155 30.300 0.037 0.000 0.873 228 R HN 0.351 nan 8.270 nan 0.000 0.467 229 A N -0.337 122.494 122.820 0.018 0.000 2.308 229 A HA 0.296 4.616 4.320 -0.000 0.000 0.217 229 A C 1.377 178.960 177.584 -0.001 0.000 1.216 229 A CA 0.623 52.665 52.037 0.008 0.000 0.864 229 A CB 0.345 19.350 19.000 0.008 0.000 0.902 229 A HN 0.371 nan 8.150 nan 0.000 0.499 230 G N -1.420 107.380 108.800 0.001 0.000 2.175 230 G HA2 -0.196 3.763 3.960 -0.000 0.000 0.244 230 G HA3 -0.196 3.763 3.960 -0.000 0.000 0.244 230 G C 0.170 175.059 174.900 -0.019 0.000 0.982 230 G CA 0.067 45.159 45.100 -0.013 0.000 0.641 230 G HN 0.769 nan 8.290 nan 0.000 0.527 231 V N 2.505 122.414 119.914 -0.009 0.000 2.488 231 V HA 0.434 4.554 4.120 -0.000 0.000 0.277 231 V C -1.383 174.712 176.094 0.003 0.000 1.046 231 V CA -1.188 61.102 62.300 -0.016 0.000 0.986 231 V CB 1.299 33.109 31.823 -0.021 0.000 0.989 231 V HN 0.163 nan 8.190 nan 0.000 0.475 232 P HA 0.350 nan 4.420 nan 0.000 0.277 232 P C -0.712 176.606 177.300 0.031 0.000 1.240 232 P CA -0.187 62.921 63.100 0.015 0.000 0.798 232 P CB 0.953 32.638 31.700 -0.025 0.000 0.979 233 V N -0.817 119.149 119.914 0.086 0.000 2.919 233 V HA 0.673 4.793 4.120 -0.000 0.000 0.316 233 V C -0.588 175.527 176.094 0.036 0.000 1.077 233 V CA -0.900 61.425 62.300 0.041 0.000 0.977 233 V CB 1.606 33.450 31.823 0.035 0.000 1.039 233 V HN 0.541 nan 8.190 nan 0.000 0.441 234 Q N 0.317 120.109 119.800 -0.013 0.000 2.375 234 Q HA 0.386 4.726 4.340 -0.000 0.000 0.271 234 Q C -0.961 175.036 176.000 -0.005 0.000 1.074 234 Q CA -0.429 55.373 55.803 -0.003 0.000 0.808 234 Q CB 1.772 30.473 28.738 -0.061 0.000 1.327 234 Q HN 0.962 nan 8.270 nan 0.000 0.441 235 D N 3.129 123.561 120.400 0.054 0.000 2.751 235 D HA -0.197 4.443 4.640 -0.000 0.000 0.233 235 D C 0.635 176.908 176.300 -0.044 0.000 1.149 235 D CA 0.720 54.747 54.000 0.044 0.000 0.682 235 D CB -0.241 40.612 40.800 0.087 0.000 1.068 235 D HN 0.659 nan 8.370 nan 0.000 0.429 236 M N -0.318 119.256 119.600 -0.044 0.000 2.549 236 M HA -0.113 4.367 4.480 -0.000 0.000 0.260 236 M C 2.050 178.349 176.300 -0.001 0.000 1.076 236 M CA 1.132 56.381 55.300 -0.084 0.000 1.090 236 M CB -0.361 32.206 32.600 -0.055 0.000 1.418 236 M HN 0.259 nan 8.290 nan 0.000 0.486 237 E N -0.529 119.690 120.200 0.031 0.000 2.478 237 E HA -0.049 4.301 4.350 -0.000 0.000 0.194 237 E C 0.275 176.992 176.600 0.196 0.000 1.045 237 E CA 0.305 56.788 56.400 0.139 0.000 0.868 237 E CB -0.090 29.591 29.700 -0.033 0.000 0.885 237 E HN 0.278 nan 8.360 nan 0.000 0.505 238 M N 1.436 121.059 119.600 0.039 0.000 2.974 238 M HA 0.198 4.678 4.480 -0.000 0.000 0.301 238 M C -1.265 175.013 176.300 -0.036 0.000 1.409 238 M CA -0.055 55.278 55.300 0.055 0.000 1.515 238 M CB -1.388 31.225 32.600 0.021 0.000 1.163 238 M HN 0.063 nan 8.290 nan 0.000 0.520 239 W N 1.826 123.198 121.300 0.120 0.000 2.349 239 W HA 0.384 5.044 4.660 -0.000 0.000 0.309 239 W C 0.613 177.136 176.519 0.006 0.000 1.083 239 W CA -0.418 56.935 57.345 0.014 0.000 1.224 239 W CB 0.856 30.299 29.460 -0.029 0.000 1.256 239 W HN 0.448 nan 8.180 nan 0.000 0.461 240 Q N 3.531 123.443 119.800 0.188 0.000 2.295 240 Q HA 0.279 4.619 4.340 -0.000 0.000 0.259 240 Q C -1.270 174.767 176.000 0.063 0.000 0.976 240 Q CA -0.276 55.639 55.803 0.186 0.000 0.923 240 Q CB 0.463 29.334 28.738 0.222 0.000 1.185 240 Q HN 0.418 nan 8.270 nan 0.000 0.410 241 F N 3.922 123.934 119.950 0.103 0.000 2.313 241 F HA 0.173 4.700 4.527 -0.000 0.000 0.369 241 F C 0.592 176.418 175.800 0.042 0.000 1.109 241 F CA -0.731 57.302 58.000 0.055 0.000 1.132 241 F CB 0.586 39.559 39.000 -0.044 0.000 1.291 241 F HN 0.579 nan 8.300 nan 0.000 0.496 242 H N 5.657 124.782 119.070 0.091 0.000 3.034 242 H HA 0.007 4.562 4.556 -0.000 0.000 0.324 242 H C -1.703 173.609 175.328 -0.027 0.000 1.015 242 H CA -0.990 55.014 56.048 -0.074 0.000 1.429 242 H CB 1.479 31.038 29.762 -0.338 0.000 1.429 242 H HN 0.345 nan 8.280 nan 0.000 0.585 243 P HA -0.096 nan 4.420 nan 0.000 0.216 243 P C 0.349 177.700 177.300 0.086 0.000 1.150 243 P CA 1.663 64.737 63.100 -0.045 0.000 0.837 243 P CB 0.194 31.795 31.700 -0.164 0.000 0.786 244 T N -3.106 111.597 114.554 0.250 0.000 3.390 244 T HA 0.621 4.971 4.350 -0.000 0.000 0.351 244 T C 0.329 175.073 174.700 0.072 0.000 1.759 244 T CA -0.872 61.315 62.100 0.144 0.000 1.561 244 T CB 0.078 69.002 68.868 0.092 0.000 1.011 244 T HN -0.019 nan 8.240 nan 0.000 0.689 245 G N 1.907 110.738 108.800 0.052 0.000 2.400 245 G HA2 0.597 4.556 3.960 -0.000 0.000 0.301 245 G HA3 0.597 4.556 3.960 -0.000 0.000 0.301 245 G C 0.015 174.904 174.900 -0.017 0.000 1.154 245 G CA -1.126 43.968 45.100 -0.011 0.000 0.852 245 G HN 0.791 nan 8.290 nan 0.000 0.511 246 I N 1.884 122.427 120.570 -0.045 0.000 2.664 246 I HA 0.068 4.238 4.170 -0.000 0.000 0.284 246 I C 1.337 177.444 176.117 -0.016 0.000 1.154 246 I CA -0.093 61.176 61.300 -0.051 0.000 1.402 246 I CB 0.636 38.613 38.000 -0.038 0.000 1.395 246 I HN 0.519 nan 8.210 nan 0.000 0.545 247 A N 5.461 128.261 122.820 -0.035 0.000 2.545 247 A HA 0.364 4.684 4.320 -0.000 0.000 0.253 247 A C 1.344 179.006 177.584 0.130 0.000 1.074 247 A CA 0.615 52.680 52.037 0.047 0.000 0.760 247 A CB -0.327 18.693 19.000 0.032 0.000 1.005 247 A HN 1.242 nan 8.150 nan 0.000 0.506 248 G N 0.711 109.589 108.800 0.129 0.000 2.176 248 G HA2 0.051 4.011 3.960 -0.000 0.000 0.253 248 G HA3 0.051 4.011 3.960 -0.000 0.000 0.253 248 G C 0.750 175.713 174.900 0.105 0.000 0.979 248 G CA 1.085 46.266 45.100 0.135 0.000 0.641 248 G HN 2.083 nan 8.290 nan 0.000 0.530 249 A N -1.855 121.008 122.820 0.073 0.000 1.937 249 A HA 0.670 4.990 4.320 -0.000 0.000 0.198 249 A C 2.625 180.184 177.584 -0.043 0.000 1.635 249 A CA 1.895 53.949 52.037 0.029 0.000 1.111 249 A CB -0.238 18.787 19.000 0.041 0.000 1.165 249 A HN 2.266 nan 8.150 nan 0.000 0.460 250 G N -0.814 107.966 108.800 -0.033 0.000 2.253 250 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.251 250 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.251 250 G C 0.395 175.240 174.900 -0.092 0.000 0.998 250 G CA 0.226 45.300 45.100 -0.043 0.000 0.621 250 G HN 1.089 nan 8.290 nan 0.000 0.524 251 V N 2.212 122.019 119.914 -0.178 0.000 2.599 251 V HA 0.374 4.494 4.120 -0.000 0.000 0.300 251 V C 1.069 177.077 176.094 -0.143 0.000 1.034 251 V CA 0.350 62.509 62.300 -0.235 0.000 1.115 251 V CB 1.271 32.801 31.823 -0.488 0.000 0.934 251 V HN 0.616 nan 8.190 nan 0.000 0.485 252 L N 7.637 128.786 121.223 -0.122 0.000 2.397 252 L HA 0.512 4.852 4.340 -0.000 0.000 0.271 252 L C -0.052 176.737 176.870 -0.135 0.000 1.148 252 L CA 0.323 55.068 54.840 -0.158 0.000 0.825 252 L CB 1.334 43.283 42.059 -0.184 0.000 1.117 252 L HN 0.569 nan 8.230 nan 0.000 0.456 253 V N 1.807 121.632 119.914 -0.147 0.000 2.448 253 V HA 0.460 4.580 4.120 -0.000 0.000 0.295 253 V C 0.339 176.376 176.094 -0.094 0.000 1.025 253 V CA -0.453 61.794 62.300 -0.089 0.000 0.859 253 V CB 0.811 32.600 31.823 -0.057 0.000 0.988 253 V HN 0.925 nan 8.190 nan 0.000 0.431 254 T N 1.958 116.488 114.554 -0.040 0.000 2.939 254 T HA -0.017 4.333 4.350 -0.000 0.000 0.319 254 T C 1.020 175.735 174.700 0.025 0.000 1.082 254 T CA 1.102 63.216 62.100 0.024 0.000 1.133 254 T CB 0.566 69.498 68.868 0.107 0.000 1.019 254 T HN 1.105 nan 8.240 nan 0.000 0.548 255 E N 2.121 122.335 120.200 0.023 0.000 2.409 255 E HA -0.020 4.330 4.350 -0.000 0.000 0.198 255 E C 1.999 178.328 176.600 -0.451 0.000 1.024 255 E CA 0.860 57.084 56.400 -0.293 0.000 0.861 255 E CB -0.679 28.643 29.700 -0.631 0.000 0.788 255 E HN 0.916 nan 8.360 nan 0.000 0.521 256 G N 0.200 108.924 108.800 -0.126 0.000 2.470 256 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.220 256 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.220 256 G C 1.532 176.440 174.900 0.014 0.000 1.121 256 G CA 0.739 45.890 45.100 0.085 0.000 0.766 256 G HN 0.381 nan 8.290 nan 0.000 0.553 257 C N 0.245 119.529 119.300 -0.027 0.000 2.413 257 C HA -0.012 4.448 4.460 -0.000 0.000 0.276 257 C C 2.877 177.834 174.990 -0.055 0.000 1.248 257 C CA 0.807 59.801 59.018 -0.040 0.000 1.742 257 C CB -0.672 27.038 27.740 -0.051 0.000 2.017 257 C HN 0.486 nan 8.230 nan 0.000 0.481 258 R N 0.305 120.751 120.500 -0.089 0.000 2.210 258 R HA 0.049 4.389 4.340 -0.000 0.000 0.203 258 R C 2.371 178.636 176.300 -0.058 0.000 1.010 258 R CA 1.047 57.103 56.100 -0.073 0.000 1.008 258 R CB -0.490 29.741 30.300 -0.115 0.000 0.923 258 R HN 0.588 nan 8.270 nan 0.000 0.469 259 G N 1.163 109.912 108.800 -0.086 0.000 2.484 259 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.218 259 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.218 259 G C 1.206 176.144 174.900 0.065 0.000 1.130 259 G CA 0.206 45.301 45.100 -0.008 0.000 0.784 259 G HN 0.157 nan 8.290 nan 0.000 0.543 260 E N -0.129 120.106 120.200 0.058 0.000 2.474 260 E HA 0.170 4.520 4.350 -0.000 0.000 0.194 260 E C 1.749 178.385 176.600 0.059 0.000 1.041 260 E CA 0.677 57.121 56.400 0.073 0.000 0.874 260 E CB 0.594 30.327 29.700 0.055 0.000 0.914 260 E HN 0.455 nan 8.360 nan 0.000 0.498 261 G N 0.646 109.488 108.800 0.069 0.000 2.370 261 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.174 261 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.174 261 G C 0.619 175.663 174.900 0.240 0.000 1.002 261 G CA -0.288 44.903 45.100 0.152 0.000 0.730 261 G HN 0.407 nan 8.290 nan 0.000 0.497 262 G N 0.158 109.001 108.800 0.072 0.000 2.527 262 G HA2 0.670 4.630 3.960 -0.000 0.000 0.248 262 G HA3 0.670 4.630 3.960 -0.000 0.000 0.248 262 G C -0.252 174.692 174.900 0.073 0.000 1.231 262 G CA 0.330 45.431 45.100 0.002 0.000 0.838 262 G HN 1.283 nan 8.290 nan 0.000 0.570 263 Y N -1.193 119.140 120.300 0.055 0.000 2.644 263 Y HA 0.715 5.265 4.550 -0.000 0.000 0.338 263 Y C -0.749 175.111 175.900 -0.067 0.000 1.119 263 Y CA -1.785 56.290 58.100 -0.043 0.000 1.060 263 Y CB 1.129 39.549 38.460 -0.067 0.000 1.294 263 Y HN 0.420 nan 8.280 nan 0.000 0.472 264 L N 2.591 123.844 121.223 0.049 0.000 2.357 264 L HA 0.653 4.993 4.340 -0.000 0.000 0.273 264 L C -0.639 176.247 176.870 0.027 0.000 1.080 264 L CA -0.670 54.144 54.840 -0.043 0.000 0.803 264 L CB 1.326 43.249 42.059 -0.226 0.000 1.174 264 L HN 0.586 nan 8.230 nan 0.000 0.443 265 L N 1.802 123.143 121.223 0.196 0.000 2.393 265 L HA 0.511 4.851 4.340 -0.000 0.000 0.260 265 L C -0.670 176.432 176.870 0.388 0.000 1.002 265 L CA -0.937 54.080 54.840 0.295 0.000 0.818 265 L CB 2.170 44.354 42.059 0.208 0.000 1.369 265 L HN 0.665 nan 8.230 nan 0.000 0.412 266 N N 0.578 119.496 118.700 0.363 0.000 2.643 266 N HA 0.216 4.956 4.740 -0.000 0.000 0.305 266 N C 0.373 175.905 175.510 0.037 0.000 1.283 266 N CA -0.878 52.262 53.050 0.150 0.000 0.946 266 N CB 0.365 38.892 38.487 0.067 0.000 1.149 266 N HN 0.602 nan 8.380 nan 0.000 0.600 267 K N -1.425 118.907 120.400 -0.114 0.000 2.280 267 K HA -0.121 4.198 4.320 -0.000 0.000 0.202 267 K C 0.358 176.822 176.600 -0.226 0.000 1.047 267 K CA 1.242 57.402 56.287 -0.211 0.000 0.942 267 K CB -0.385 31.909 32.500 -0.345 0.000 0.739 267 K HN 0.472 nan 8.250 nan 0.000 0.457 268 H N -0.188 118.911 119.070 0.049 0.000 2.551 268 H HA 0.157 4.713 4.556 -0.000 0.000 0.271 268 H C 1.129 176.497 175.328 0.067 0.000 0.984 268 H CA 0.659 56.737 56.048 0.049 0.000 1.164 268 H CB 1.025 30.811 29.762 0.040 0.000 1.437 268 H HN 0.581 nan 8.280 nan 0.000 0.550 269 G N 1.487 110.389 108.800 0.169 0.000 2.143 269 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.249 269 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.249 269 G C 0.215 175.213 174.900 0.163 0.000 0.981 269 G CA 0.378 45.569 45.100 0.152 0.000 0.665 269 G HN 0.500 nan 8.290 nan 0.000 0.528 270 E N 0.325 120.646 120.200 0.201 0.000 2.289 270 E HA 0.321 4.671 4.350 -0.000 0.000 0.278 270 E C 0.697 177.420 176.600 0.206 0.000 1.032 270 E CA -0.792 55.716 56.400 0.180 0.000 0.854 270 E CB 0.319 30.138 29.700 0.199 0.000 1.046 270 E HN 0.324 nan 8.360 nan 0.000 0.409 271 R N 5.468 126.011 120.500 0.071 0.000 3.247 271 R HA 0.026 4.366 4.340 -0.000 0.000 0.212 271 R C 0.649 176.920 176.300 -0.049 0.000 1.604 271 R CA -0.119 55.953 56.100 -0.047 0.000 1.279 271 R CB -0.533 29.636 30.300 -0.218 0.000 1.277 271 R HN 0.558 nan 8.270 nan 0.000 0.669 272 F N 1.277 121.293 119.950 0.111 0.000 2.451 272 F HA -0.087 4.440 4.527 -0.000 0.000 0.299 272 F C 1.244 177.189 175.800 0.241 0.000 1.101 272 F CA 0.242 58.341 58.000 0.165 0.000 1.436 272 F CB -0.193 38.964 39.000 0.262 0.000 1.074 272 F HN 0.266 nan 8.300 nan 0.000 0.553 273 M N 1.077 120.537 119.600 -0.233 0.000 2.460 273 M HA -0.099 4.381 4.480 -0.000 0.000 0.263 273 M C 1.788 178.115 176.300 0.044 0.000 1.071 273 M CA 1.009 56.288 55.300 -0.035 0.000 1.096 273 M CB -1.189 31.280 32.600 -0.218 0.000 1.408 273 M HN 0.409 nan 8.290 nan 0.000 0.463 274 E N -0.577 119.618 120.200 -0.008 0.000 2.208 274 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 274 E C 2.135 178.742 176.600 0.011 0.000 0.988 274 E CA 0.639 57.032 56.400 -0.012 0.000 0.828 274 E CB 0.009 29.678 29.700 -0.052 0.000 0.763 274 E HN 0.454 nan 8.360 nan 0.000 0.478 275 R N -0.221 120.290 120.500 0.019 0.000 2.080 275 R HA -0.065 4.274 4.340 -0.000 0.000 0.222 275 R C 1.646 177.890 176.300 -0.093 0.000 1.107 275 R CA 0.867 56.920 56.100 -0.079 0.000 0.980 275 R CB 0.052 30.242 30.300 -0.184 0.000 0.879 275 R HN 0.150 nan 8.270 nan 0.000 0.439 276 Y N -0.563 119.801 120.300 0.107 0.000 2.337 276 Y HA 0.188 4.738 4.550 -0.000 0.000 0.293 276 Y C 0.666 176.624 175.900 0.096 0.000 1.123 276 Y CA 0.785 58.953 58.100 0.114 0.000 1.201 276 Y CB 0.441 38.996 38.460 0.158 0.000 1.011 276 Y HN 0.097 nan 8.280 nan 0.000 0.545 277 A N -0.567 122.381 122.820 0.214 0.000 2.984 277 A HA 0.428 4.748 4.320 -0.000 0.000 0.320 277 A C -2.216 175.426 177.584 0.097 0.000 1.142 277 A CA -1.149 50.985 52.037 0.163 0.000 0.772 277 A CB 0.350 19.448 19.000 0.164 0.000 1.195 277 A HN -0.038 nan 8.150 nan 0.000 0.459 278 P HA -0.160 nan 4.420 nan 0.000 0.217 278 P C 1.069 178.387 177.300 0.031 0.000 1.148 278 P CA 1.432 64.552 63.100 0.034 0.000 0.828 278 P CB 0.378 32.093 31.700 0.025 0.000 0.783 279 N N -0.841 117.891 118.700 0.055 0.000 2.244 279 N HA 0.018 4.758 4.740 -0.000 0.000 0.189 279 N C 1.717 177.260 175.510 0.054 0.000 1.047 279 N CA 1.458 54.537 53.050 0.049 0.000 0.870 279 N CB -1.144 37.378 38.487 0.058 0.000 1.041 279 N HN -0.019 nan 8.380 nan 0.000 0.448 280 A N 0.708 123.587 122.820 0.099 0.000 2.067 280 A HA 0.023 4.343 4.320 -0.000 0.000 0.217 280 A C 0.896 178.493 177.584 0.021 0.000 1.156 280 A CA 0.614 52.698 52.037 0.080 0.000 0.683 280 A CB -0.104 18.985 19.000 0.148 0.000 0.808 280 A HN 0.316 nan 8.150 nan 0.000 0.455 281 K N -1.621 118.792 120.400 0.022 0.000 1.791 281 K HA -0.279 4.041 4.320 -0.000 0.000 0.140 281 K C 0.314 176.882 176.600 -0.052 0.000 1.312 281 K CA 1.858 58.136 56.287 -0.016 0.000 0.382 281 K CB -1.424 31.052 32.500 -0.040 0.000 0.635 281 K HN 0.383 nan 8.250 nan 0.000 0.838 282 D N 1.077 121.434 120.400 -0.072 0.000 2.378 282 D HA 0.030 4.670 4.640 -0.000 0.000 0.227 282 D C 0.820 177.048 176.300 -0.120 0.000 1.012 282 D CA 0.728 54.669 54.000 -0.098 0.000 0.905 282 D CB -0.009 40.755 40.800 -0.060 0.000 0.895 282 D HN 0.184 nan 8.370 nan 0.000 0.532 283 L N 0.107 121.268 121.223 -0.104 0.000 3.017 283 L HA 0.421 4.761 4.340 -0.000 0.000 0.255 283 L C 0.715 177.484 176.870 -0.169 0.000 1.247 283 L CA -0.584 54.179 54.840 -0.128 0.000 1.038 283 L CB 0.166 42.184 42.059 -0.069 0.000 1.380 283 L HN -0.020 nan 8.230 nan 0.000 0.548 284 A N -0.073 122.605 122.820 -0.237 0.000 2.267 284 A HA 0.610 4.930 4.320 -0.000 0.000 0.271 284 A C 0.845 178.005 177.584 -0.706 0.000 1.131 284 A CA 0.179 51.909 52.037 -0.511 0.000 0.818 284 A CB -0.051 18.740 19.000 -0.348 0.000 1.118 284 A HN 0.267 nan 8.150 nan 0.000 0.501 285 G N -1.151 106.852 108.800 -1.330 0.000 2.484 285 G HA2 0.265 4.225 3.960 -0.000 0.000 0.235 285 G HA3 0.265 4.225 3.960 -0.000 0.000 0.235 285 G C 0.688 175.375 174.900 -0.355 0.000 1.282 285 G CA -0.201 44.474 45.100 -0.708 0.000 0.857 285 G HN 0.756 nan 8.290 nan 0.000 0.571 286 R N 0.561 120.924 120.500 -0.229 0.000 2.096 286 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 286 R C 2.258 178.484 176.300 -0.123 0.000 1.127 286 R CA 1.571 57.554 56.100 -0.195 0.000 0.968 286 R CB -0.045 30.144 30.300 -0.184 0.000 0.861 286 R HN 0.813 nan 8.270 nan 0.000 0.440 287 D N 0.275 120.633 120.400 -0.070 0.000 2.178 287 D HA -0.117 4.523 4.640 -0.000 0.000 0.201 287 D C 1.769 178.028 176.300 -0.069 0.000 0.980 287 D CA 0.978 54.955 54.000 -0.037 0.000 0.842 287 D CB -0.340 40.468 40.800 0.014 0.000 0.948 287 D HN 0.080 nan 8.370 nan 0.000 0.472 288 V N 0.823 120.698 119.914 -0.065 0.000 2.346 288 V HA -0.164 3.956 4.120 -0.000 0.000 0.244 288 V C 2.921 178.964 176.094 -0.085 0.000 1.037 288 V CA 0.974 63.251 62.300 -0.038 0.000 1.029 288 V CB -0.167 31.670 31.823 0.022 0.000 0.663 288 V HN 0.089 nan 8.190 nan 0.000 0.454 289 V N 0.570 120.412 119.914 -0.121 0.000 2.407 289 V HA -0.234 3.886 4.120 -0.000 0.000 0.248 289 V C 2.716 178.756 176.094 -0.089 0.000 1.055 289 V CA 1.932 64.167 62.300 -0.108 0.000 1.049 289 V CB -1.176 30.559 31.823 -0.146 0.000 0.662 289 V HN 0.540 nan 8.190 nan 0.000 0.455 290 A N 0.011 122.767 122.820 -0.107 0.000 1.902 290 A HA -0.220 4.099 4.320 -0.000 0.000 0.217 290 A C 2.413 179.908 177.584 -0.149 0.000 1.181 290 A CA 1.830 53.807 52.037 -0.101 0.000 0.623 290 A CB -0.478 18.472 19.000 -0.084 0.000 0.818 290 A HN 0.491 nan 8.150 nan 0.000 0.443 291 R N -0.361 120.022 120.500 -0.195 0.000 2.075 291 R HA -0.056 4.283 4.340 -0.000 0.000 0.232 291 R C 2.522 178.762 176.300 -0.100 0.000 1.126 291 R CA 1.418 57.401 56.100 -0.194 0.000 0.963 291 R CB -0.361 29.829 30.300 -0.183 0.000 0.858 291 R HN 0.514 nan 8.270 nan 0.000 0.435 292 S N 1.086 116.633 115.700 -0.254 0.000 2.370 292 S HA -0.123 4.347 4.470 -0.000 0.000 0.226 292 S C 1.952 176.315 174.600 -0.395 0.000 1.033 292 S CA 1.152 58.961 58.200 -0.652 0.000 1.011 292 S CB -0.178 62.616 63.200 -0.676 0.000 0.852 292 S HN 0.242 nan 8.310 nan 0.000 0.457 293 I N 1.028 121.528 120.570 -0.118 0.000 2.252 293 I HA -0.154 4.016 4.170 -0.000 0.000 0.245 293 I C 2.206 178.253 176.117 -0.117 0.000 1.102 293 I CA 0.932 62.179 61.300 -0.088 0.000 1.385 293 I CB -0.305 37.728 38.000 0.056 0.000 1.064 293 I HN 0.286 nan 8.210 nan 0.000 0.414 294 M N 0.087 119.667 119.600 -0.035 0.000 2.229 294 M HA -0.090 4.390 4.480 -0.000 0.000 0.264 294 M C 2.348 178.690 176.300 0.069 0.000 1.063 294 M CA 1.629 56.964 55.300 0.059 0.000 1.114 294 M CB -0.810 31.897 32.600 0.178 0.000 1.387 294 M HN 0.227 nan 8.290 nan 0.000 0.420 295 I N -0.280 120.317 120.570 0.045 0.000 2.315 295 I HA -0.231 3.939 4.170 -0.000 0.000 0.248 295 I C 2.357 178.447 176.117 -0.046 0.000 1.117 295 I CA 0.828 62.136 61.300 0.013 0.000 1.404 295 I CB -0.362 37.679 38.000 0.069 0.000 1.071 295 I HN 0.235 nan 8.210 nan 0.000 0.419 296 E N 1.060 121.168 120.200 -0.154 0.000 2.058 296 E HA -0.192 4.158 4.350 -0.000 0.000 0.194 296 E C 2.288 178.799 176.600 -0.148 0.000 0.997 296 E CA 1.415 57.684 56.400 -0.218 0.000 0.801 296 E CB -0.235 29.131 29.700 -0.556 0.000 0.746 296 E HN 0.528 nan 8.360 nan 0.000 0.450 297 I N 0.439 120.931 120.570 -0.130 0.000 2.202 297 I HA -0.227 3.943 4.170 -0.000 0.000 0.242 297 I C 2.768 178.848 176.117 -0.061 0.000 1.091 297 I CA 0.882 62.130 61.300 -0.087 0.000 1.368 297 I CB -0.289 37.677 38.000 -0.057 0.000 1.058 297 I HN 0.006 nan 8.210 nan 0.000 0.410 298 R N 1.069 121.539 120.500 -0.050 0.000 2.159 298 R HA -0.157 4.183 4.340 -0.000 0.000 0.237 298 R C 1.089 177.352 176.300 -0.061 0.000 1.131 298 R CA 1.293 57.360 56.100 -0.055 0.000 0.982 298 R CB 0.041 30.298 30.300 -0.071 0.000 0.868 298 R HN 0.440 nan 8.270 nan 0.000 0.453 299 E N -1.235 118.933 120.200 -0.053 0.000 2.437 299 E HA 0.130 4.480 4.350 -0.000 0.000 0.195 299 E C 0.280 176.863 176.600 -0.029 0.000 1.029 299 E CA 0.273 56.648 56.400 -0.041 0.000 0.948 299 E CB 0.988 30.672 29.700 -0.026 0.000 1.082 299 E HN 0.528 nan 8.360 nan 0.000 0.456 300 G N 2.145 110.921 108.800 -0.040 0.000 2.153 300 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.252 300 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.252 300 G C 0.850 175.724 174.900 -0.043 0.000 0.994 300 G CA 0.238 45.316 45.100 -0.037 0.000 0.698 300 G HN 0.308 nan 8.290 nan 0.000 0.521 301 R N 0.092 120.558 120.500 -0.057 0.000 2.362 301 R HA 0.299 4.639 4.340 -0.000 0.000 0.227 301 R C 1.591 177.801 176.300 -0.151 0.000 0.905 301 R CA 0.321 56.372 56.100 -0.081 0.000 1.067 301 R CB 0.559 30.861 30.300 0.004 0.000 1.078 301 R HN 0.363 nan 8.270 nan 0.000 0.516 302 G N 0.326 109.037 108.800 -0.148 0.000 2.507 302 G HA2 0.249 4.209 3.960 -0.000 0.000 0.271 302 G HA3 0.249 4.209 3.960 -0.000 0.000 0.271 302 G C -0.069 174.700 174.900 -0.218 0.000 1.189 302 G CA -0.517 44.476 45.100 -0.179 0.000 0.859 302 G HN 0.135 nan 8.290 nan 0.000 0.542 303 C N 0.495 119.588 119.300 -0.345 0.000 2.443 303 C HA 0.594 5.054 4.460 -0.000 0.000 0.369 303 C C 0.394 175.125 174.990 -0.431 0.000 1.241 303 C CA -0.488 58.290 59.018 -0.400 0.000 2.413 303 C CB 1.176 28.637 27.740 -0.466 0.000 2.451 303 C HN 0.788 nan 8.230 nan 0.000 0.595 304 D N -1.458 118.882 120.400 -0.100 0.000 2.687 304 D HA 0.749 5.389 4.640 -0.000 0.000 0.264 304 D C 0.125 176.632 176.300 0.344 0.000 1.091 304 D CA 0.670 54.737 54.000 0.112 0.000 1.123 304 D CB 2.190 43.023 40.800 0.055 0.000 1.407 304 D HN 0.948 nan 8.370 nan 0.000 0.591 305 G N -0.378 108.581 108.800 0.266 0.000 2.339 305 G HA2 0.019 3.979 3.960 -0.000 0.000 0.275 305 G HA3 0.019 3.979 3.960 -0.000 0.000 0.275 305 G C -2.282 172.571 174.900 -0.078 0.000 1.323 305 G CA -0.279 44.897 45.100 0.126 0.000 0.927 305 G HN 0.362 nan 8.290 nan 0.000 0.486 306 P HA 0.025 nan 4.420 nan 0.000 0.218 306 P C 1.345 178.424 177.300 -0.369 0.000 1.148 306 P CA 1.441 64.224 63.100 -0.528 0.000 0.822 306 P CB 0.030 31.209 31.700 -0.868 0.000 0.784 307 W N -0.231 121.074 121.300 0.009 0.000 2.678 307 W HA 0.318 4.978 4.660 -0.000 0.000 0.256 307 W C 1.022 177.570 176.519 0.049 0.000 1.280 307 W CA 0.936 58.271 57.345 -0.018 0.000 1.345 307 W CB -0.946 28.426 29.460 -0.147 0.000 1.118 307 W HN 0.017 nan 8.180 nan 0.000 0.629 308 G N 0.386 109.372 108.800 0.311 0.000 2.685 308 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.387 308 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.387 308 G C -2.957 172.157 174.900 0.357 0.000 1.324 308 G CA -1.411 43.838 45.100 0.249 0.000 0.878 308 G HN -0.275 nan 8.290 nan 0.000 0.527 309 P HA 0.250 nan 4.420 nan 0.000 0.264 309 P C 0.062 177.477 177.300 0.191 0.000 1.183 309 P CA 1.053 64.225 63.100 0.119 0.000 0.763 309 P CB 0.298 32.030 31.700 0.054 0.000 0.807 310 H N 0.438 119.539 119.070 0.052 0.000 2.887 310 H HA 0.739 5.295 4.556 -0.000 0.000 0.290 310 H C -1.912 173.425 175.328 0.015 0.000 1.429 310 H CA -1.207 54.859 56.048 0.030 0.000 1.137 310 H CB 0.571 30.346 29.762 0.023 0.000 1.824 310 H HN 0.421 nan 8.280 nan 0.000 0.520 311 A N 0.992 123.910 122.820 0.163 0.000 2.384 311 A HA 0.548 4.868 4.320 -0.000 0.000 0.312 311 A C -0.626 177.091 177.584 0.221 0.000 1.113 311 A CA -1.004 51.119 52.037 0.144 0.000 0.779 311 A CB 1.604 20.726 19.000 0.204 0.000 1.307 311 A HN 0.503 nan 8.150 nan 0.000 0.436 312 K N 0.922 121.425 120.400 0.172 0.000 2.183 312 K HA 0.375 4.694 4.320 -0.000 0.000 0.274 312 K C -1.493 175.133 176.600 0.043 0.000 1.009 312 K CA -0.555 55.789 56.287 0.095 0.000 0.888 312 K CB 1.690 34.236 32.500 0.078 0.000 1.078 312 K HN 0.469 nan 8.250 nan 0.000 0.459 313 L N 4.000 125.207 121.223 -0.026 0.000 2.283 313 L HA 0.238 4.578 4.340 -0.000 0.000 0.281 313 L C -0.184 176.616 176.870 -0.116 0.000 1.033 313 L CA -0.161 54.641 54.840 -0.064 0.000 0.848 313 L CB 0.533 42.554 42.059 -0.064 0.000 1.226 313 L HN 0.414 nan 8.230 nan 0.000 0.429 314 K N 4.523 124.811 120.400 -0.186 0.000 2.297 314 K HA 0.352 4.672 4.320 -0.000 0.000 0.286 314 K C 0.037 176.503 176.600 -0.225 0.000 1.053 314 K CA -0.103 56.049 56.287 -0.225 0.000 0.940 314 K CB 0.585 32.862 32.500 -0.372 0.000 1.019 314 K HN 0.839 nan 8.250 nan 0.000 0.475 315 L N 2.957 124.072 121.223 -0.180 0.000 3.227 315 L HA 0.064 4.404 4.340 -0.000 0.000 0.287 315 L C 1.128 177.803 176.870 -0.326 0.000 1.161 315 L CA 0.006 54.674 54.840 -0.287 0.000 1.048 315 L CB 0.222 42.170 42.059 -0.185 0.000 1.541 315 L HN 0.729 nan 8.230 nan 0.000 0.590 316 D N -0.189 120.124 120.400 -0.145 0.000 2.221 316 D HA -0.290 4.350 4.640 -0.000 0.000 0.204 316 D C 1.892 178.150 176.300 -0.070 0.000 0.982 316 D CA 1.575 55.526 54.000 -0.080 0.000 0.857 316 D CB -0.355 40.439 40.800 -0.010 0.000 0.934 316 D HN 0.542 nan 8.370 nan 0.000 0.475 317 H N 0.425 119.469 119.070 -0.043 0.000 2.559 317 H HA 0.059 4.615 4.556 -0.000 0.000 0.273 317 H C 1.766 177.095 175.328 0.002 0.000 1.000 317 H CA 0.416 56.460 56.048 -0.007 0.000 1.195 317 H CB -0.365 29.409 29.762 0.020 0.000 1.368 317 H HN 0.283 nan 8.280 nan 0.000 0.592 318 L N 0.500 121.505 121.223 -0.364 0.000 2.313 318 L HA 0.157 4.497 4.340 -0.000 0.000 0.214 318 L C 0.942 177.759 176.870 -0.088 0.000 1.119 318 L CA 0.594 55.306 54.840 -0.214 0.000 0.809 318 L CB -0.205 41.698 42.059 -0.260 0.000 0.933 318 L HN 0.561 nan 8.230 nan 0.000 0.449 319 G N 0.447 109.203 108.800 -0.073 0.000 2.719 319 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.686 319 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.686 319 G C 0.240 175.115 174.900 -0.041 0.000 1.201 319 G CA 0.014 45.092 45.100 -0.036 0.000 0.768 319 G HN 0.111 nan 8.290 nan 0.000 0.629 320 K N 0.270 120.654 120.400 -0.028 0.000 2.063 320 K HA -0.162 4.158 4.320 -0.000 0.000 0.208 320 K C 2.152 178.735 176.600 -0.028 0.000 1.048 320 K CA 2.167 58.438 56.287 -0.027 0.000 0.928 320 K CB -0.169 32.321 32.500 -0.018 0.000 0.713 320 K HN 0.671 nan 8.250 nan 0.000 0.442 321 E N 0.091 120.277 120.200 -0.024 0.000 2.023 321 E HA -0.190 4.160 4.350 -0.000 0.000 0.196 321 E C 1.913 178.494 176.600 -0.032 0.000 1.003 321 E CA 1.779 58.164 56.400 -0.025 0.000 0.809 321 E CB 0.008 29.696 29.700 -0.019 0.000 0.755 321 E HN 0.165 nan 8.360 nan 0.000 0.449 322 V N 1.334 121.228 119.914 -0.034 0.000 2.407 322 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 322 V C 2.474 178.542 176.094 -0.044 0.000 1.055 322 V CA 1.514 63.791 62.300 -0.039 0.000 1.049 322 V CB -0.440 31.363 31.823 -0.032 0.000 0.662 322 V HN 0.342 nan 8.190 nan 0.000 0.455 323 L N -0.430 120.765 121.223 -0.047 0.000 2.017 323 L HA -0.189 4.150 4.340 -0.000 0.000 0.208 323 L C 2.550 179.399 176.870 -0.037 0.000 1.073 323 L CA 1.766 56.577 54.840 -0.047 0.000 0.745 323 L CB -0.566 41.460 42.059 -0.054 0.000 0.894 323 L HN 0.372 nan 8.230 nan 0.000 0.432 324 E N -1.084 119.095 120.200 -0.035 0.000 2.274 324 E HA -0.155 4.194 4.350 -0.000 0.000 0.194 324 E C 2.236 178.815 176.600 -0.036 0.000 0.996 324 E CA 1.034 57.416 56.400 -0.031 0.000 0.840 324 E CB 0.124 29.807 29.700 -0.027 0.000 0.772 324 E HN 0.298 nan 8.360 nan 0.000 0.491 325 S N 0.031 115.705 115.700 -0.044 0.000 2.387 325 S HA -0.001 4.469 4.470 -0.000 0.000 0.221 325 S C 1.829 176.387 174.600 -0.071 0.000 1.041 325 S CA 0.387 58.552 58.200 -0.058 0.000 0.959 325 S CB 0.248 63.406 63.200 -0.069 0.000 0.843 325 S HN 0.047 nan 8.310 nan 0.000 0.488 326 R N 0.377 120.838 120.500 -0.066 0.000 2.206 326 R HA 0.389 4.729 4.340 -0.000 0.000 0.198 326 R C 0.266 176.564 176.300 -0.005 0.000 0.986 326 R CA 0.361 56.427 56.100 -0.057 0.000 1.029 326 R CB -0.350 29.921 30.300 -0.049 0.000 0.966 326 R HN 0.388 nan 8.270 nan 0.000 0.487 327 L N 2.016 123.233 121.223 -0.010 0.000 2.861 327 L HA 0.276 4.616 4.340 -0.000 0.000 0.290 327 L C -1.768 175.097 176.870 -0.009 0.000 1.346 327 L CA -1.018 53.822 54.840 0.001 0.000 0.779 327 L CB 1.732 43.790 42.059 -0.001 0.000 1.143 327 L HN -0.138 nan 8.230 nan 0.000 0.548 328 P HA -0.093 nan 4.420 nan 0.000 0.219 328 P C 1.612 178.907 177.300 -0.010 0.000 1.150 328 P CA 1.249 64.339 63.100 -0.017 0.000 0.814 328 P CB 0.408 32.093 31.700 -0.025 0.000 0.787 329 G N 1.601 110.397 108.800 -0.006 0.000 2.446 329 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.217 329 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.217 329 G C 1.471 176.380 174.900 0.015 0.000 1.168 329 G CA 1.309 46.409 45.100 0.000 0.000 0.771 329 G HN 0.393 nan 8.290 nan 0.000 0.551 330 I N -1.057 119.520 120.570 0.011 0.000 2.830 330 I HA 0.146 4.316 4.170 -0.000 0.000 0.263 330 I C 2.292 178.417 176.117 0.013 0.000 1.230 330 I CA 0.648 61.955 61.300 0.011 0.000 1.480 330 I CB -0.293 37.706 38.000 -0.003 0.000 1.095 330 I HN 0.071 nan 8.210 nan 0.000 0.455 331 L N 0.550 121.776 121.223 0.006 0.000 2.027 331 L HA -0.135 4.205 4.340 -0.000 0.000 0.206 331 L C 2.632 179.515 176.870 0.021 0.000 1.074 331 L CA 1.677 56.520 54.840 0.005 0.000 0.745 331 L CB -0.606 41.449 42.059 -0.006 0.000 0.898 331 L HN 0.298 nan 8.230 nan 0.000 0.433 332 E N 0.056 120.271 120.200 0.026 0.000 2.072 332 E HA -0.176 4.174 4.350 -0.000 0.000 0.191 332 E C 2.355 179.005 176.600 0.083 0.000 0.985 332 E CA 0.892 57.314 56.400 0.038 0.000 0.801 332 E CB -0.042 29.675 29.700 0.028 0.000 0.750 332 E HN 0.386 nan 8.360 nan 0.000 0.452 333 L N 0.402 121.698 121.223 0.122 0.000 2.017 333 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 333 L C 2.665 179.678 176.870 0.237 0.000 1.073 333 L CA 1.107 56.092 54.840 0.241 0.000 0.745 333 L CB -0.497 41.654 42.059 0.154 0.000 0.894 333 L HN 0.147 nan 8.230 nan 0.000 0.432 334 S N -0.192 115.577 115.700 0.116 0.000 2.368 334 S HA -0.156 4.314 4.470 -0.000 0.000 0.224 334 S C 2.116 176.776 174.600 0.099 0.000 1.029 334 S CA 1.165 59.413 58.200 0.080 0.000 0.988 334 S CB -0.065 63.145 63.200 0.016 0.000 0.838 334 S HN 0.313 nan 8.310 nan 0.000 0.462 335 R N -0.116 120.434 120.500 0.083 0.000 2.115 335 R HA 0.005 4.345 4.340 -0.000 0.000 0.230 335 R C 2.349 178.722 176.300 0.122 0.000 1.111 335 R CA 1.791 57.947 56.100 0.093 0.000 0.976 335 R CB -0.539 29.788 30.300 0.046 0.000 0.870 335 R HN 0.381 nan 8.270 nan 0.000 0.445 336 T N -0.191 114.384 114.554 0.034 0.000 2.852 336 T HA 0.017 4.367 4.350 -0.000 0.000 0.256 336 T C 1.001 175.521 174.700 -0.300 0.000 1.038 336 T CA 1.026 63.027 62.100 -0.165 0.000 1.141 336 T CB -0.008 68.619 68.868 -0.402 0.000 0.869 336 T HN 0.091 nan 8.240 nan 0.000 0.439 337 F N 0.237 120.205 119.950 0.031 0.000 2.721 337 F HA 0.561 5.087 4.527 -0.000 0.000 0.301 337 F C 1.846 177.617 175.800 -0.048 0.000 1.096 337 F CA -0.302 57.681 58.000 -0.027 0.000 1.308 337 F CB 0.307 39.307 39.000 0.000 0.000 1.086 337 F HN 0.135 nan 8.300 nan 0.000 0.587 338 A N -2.178 120.719 122.820 0.128 0.000 2.498 338 A HA 0.261 4.581 4.320 -0.000 0.000 0.238 338 A C 0.176 177.948 177.584 0.312 0.000 1.225 338 A CA -0.068 52.088 52.037 0.198 0.000 0.978 338 A CB -0.346 18.679 19.000 0.042 0.000 1.142 338 A HN 0.275 nan 8.150 nan 0.000 0.552 339 H N -1.007 118.169 119.070 0.177 0.000 2.741 339 H HA -0.139 4.417 4.556 -0.000 0.000 0.305 339 H C -0.560 174.858 175.328 0.148 0.000 1.169 339 H CA 0.811 56.938 56.048 0.132 0.000 1.144 339 H CB -2.371 27.465 29.762 0.124 0.000 1.397 339 H HN 0.249 nan 8.280 nan 0.000 0.409 340 V N 0.733 120.773 119.914 0.210 0.000 2.531 340 V HA 0.190 4.310 4.120 -0.000 0.000 0.301 340 V C 0.283 176.410 176.094 0.055 0.000 1.034 340 V CA -0.936 61.432 62.300 0.113 0.000 0.865 340 V CB 2.478 34.310 31.823 0.015 0.000 0.995 340 V HN 0.238 nan 8.190 nan 0.000 0.424 341 D N 6.599 127.023 120.400 0.041 0.000 2.380 341 D HA 0.359 4.999 4.640 -0.000 0.000 0.230 341 D C -1.666 174.631 176.300 -0.005 0.000 1.154 341 D CA -2.127 51.883 54.000 0.017 0.000 0.859 341 D CB 2.078 42.887 40.800 0.016 0.000 1.045 341 D HN 0.179 nan 8.370 nan 0.000 0.495 342 P HA -0.138 nan 4.420 nan 0.000 0.221 342 P C 1.343 178.616 177.300 -0.045 0.000 1.145 342 P CA 0.476 63.551 63.100 -0.043 0.000 0.795 342 P CB 0.351 32.023 31.700 -0.047 0.000 0.775 343 V N -0.318 119.578 119.914 -0.031 0.000 2.809 343 V HA -0.152 3.968 4.120 -0.000 0.000 0.256 343 V C 1.974 178.057 176.094 -0.019 0.000 1.080 343 V CA 1.659 63.941 62.300 -0.030 0.000 1.102 343 V CB -0.773 31.038 31.823 -0.021 0.000 0.705 343 V HN 0.227 nan 8.190 nan 0.000 0.475 344 K N -0.559 119.835 120.400 -0.010 0.000 2.424 344 K HA 0.293 4.613 4.320 -0.000 0.000 0.198 344 K C 0.654 177.258 176.600 0.006 0.000 1.190 344 K CA 0.080 56.369 56.287 0.003 0.000 0.935 344 K CB 1.398 33.905 32.500 0.012 0.000 1.087 344 K HN 0.444 nan 8.250 nan 0.000 0.524 345 E N 1.541 121.739 120.200 -0.004 0.000 2.340 345 E HA 0.306 4.656 4.350 -0.000 0.000 0.273 345 E C -2.860 173.714 176.600 -0.042 0.000 0.891 345 E CA -2.477 53.918 56.400 -0.007 0.000 0.757 345 E CB 2.606 32.314 29.700 0.013 0.000 1.231 345 E HN -0.245 nan 8.360 nan 0.000 0.439 346 P HA 0.100 nan 4.420 nan 0.000 0.269 346 P C -0.688 176.524 177.300 -0.146 0.000 1.215 346 P CA 0.230 63.278 63.100 -0.085 0.000 0.780 346 P CB 0.435 32.100 31.700 -0.057 0.000 0.898 347 I N 3.632 124.109 120.570 -0.156 0.000 2.365 347 I HA 0.230 4.400 4.170 -0.000 0.000 0.291 347 I C -2.095 173.845 176.117 -0.295 0.000 1.004 347 I CA -2.545 58.621 61.300 -0.224 0.000 1.311 347 I CB 1.122 39.032 38.000 -0.150 0.000 1.401 347 I HN 0.108 nan 8.210 nan 0.000 0.491 348 P HA 0.116 nan 4.420 nan 0.000 0.275 348 P C -0.731 176.367 177.300 -0.337 0.000 1.276 348 P CA -0.088 62.589 63.100 -0.704 0.000 0.782 348 P CB 0.563 31.309 31.700 -1.591 0.000 0.851 349 V N 2.510 122.367 119.914 -0.094 0.000 2.914 349 V HA 0.739 4.859 4.120 -0.000 0.000 0.314 349 V C -0.611 175.524 176.094 0.069 0.000 1.084 349 V CA -1.134 61.157 62.300 -0.015 0.000 0.963 349 V CB 2.655 34.477 31.823 -0.002 0.000 1.025 349 V HN 0.420 nan 8.190 nan 0.000 0.432 350 I N 1.997 122.606 120.570 0.065 0.000 2.722 350 I HA 0.564 4.733 4.170 -0.000 0.000 0.292 350 I C -2.873 173.291 176.117 0.078 0.000 1.267 350 I CA -2.263 59.085 61.300 0.080 0.000 1.036 350 I CB 3.200 41.255 38.000 0.092 0.000 1.281 350 I HN 0.550 nan 8.210 nan 0.000 0.423 351 P HA 0.054 nan 4.420 nan 0.000 0.261 351 P C -1.337 176.063 177.300 0.167 0.000 1.173 351 P CA 0.499 63.660 63.100 0.102 0.000 0.760 351 P CB 0.295 32.011 31.700 0.026 0.000 0.783 352 T N 2.594 117.283 114.554 0.225 0.000 2.916 352 T HA 0.175 4.525 4.350 -0.000 0.000 0.298 352 T C -0.491 174.294 174.700 0.142 0.000 1.031 352 T CA -0.400 61.820 62.100 0.201 0.000 0.993 352 T CB 0.968 69.895 68.868 0.098 0.000 1.045 352 T HN 0.425 nan 8.240 nan 0.000 0.454 353 C N 3.527 122.771 119.300 -0.093 0.000 2.437 353 C HA 0.103 4.563 4.460 -0.000 0.000 0.399 353 C C 1.438 176.335 174.990 -0.155 0.000 1.478 353 C CA 1.036 59.675 59.018 -0.632 0.000 1.538 353 C CB -1.352 25.852 27.740 -0.894 0.000 2.506 353 C HN 1.152 nan 8.230 nan 0.000 0.603 354 H N 2.438 121.412 119.070 -0.161 0.000 2.089 354 H HA 0.286 4.842 4.556 -0.000 0.000 0.206 354 H C -0.807 174.624 175.328 0.172 0.000 0.872 354 H CA 0.532 56.612 56.048 0.054 0.000 0.979 354 H CB 0.184 30.038 29.762 0.155 0.000 1.266 354 H HN 0.722 nan 8.280 nan 0.000 0.389 355 Y N 1.163 121.447 120.300 -0.027 0.000 2.492 355 Y HA 0.378 4.928 4.550 -0.000 0.000 0.346 355 Y C -1.167 174.623 175.900 -0.183 0.000 0.997 355 Y CA -1.286 56.732 58.100 -0.136 0.000 1.025 355 Y CB 1.716 40.104 38.460 -0.119 0.000 1.263 355 Y HN 0.179 nan 8.280 nan 0.000 0.454 356 M N 7.270 126.244 119.600 -1.042 0.000 2.069 356 M HA 0.232 4.712 4.480 -0.000 0.000 0.349 356 M C -0.496 175.210 176.300 -0.989 0.000 1.194 356 M CA -0.247 54.237 55.300 -1.360 0.000 1.081 356 M CB 0.883 32.663 32.600 -1.366 0.000 1.500 356 M HN 1.044 nan 8.290 nan 0.000 0.438 357 M N 3.124 122.426 119.600 -0.496 0.000 2.394 357 M HA 0.150 4.630 4.480 -0.000 0.000 0.264 357 M C 1.122 177.329 176.300 -0.155 0.000 1.073 357 M CA 0.725 55.977 55.300 -0.081 0.000 1.111 357 M CB -0.070 32.563 32.600 0.054 0.000 1.401 357 M HN 0.749 nan 8.290 nan 0.000 0.448 358 G N -1.097 107.496 108.800 -0.344 0.000 2.588 358 G HA2 0.585 4.545 3.960 -0.000 0.000 0.281 358 G HA3 0.585 4.545 3.960 -0.000 0.000 0.281 358 G C 0.019 174.772 174.900 -0.245 0.000 1.236 358 G CA -0.091 44.862 45.100 -0.244 0.000 0.969 358 G HN 0.526 nan 8.290 nan 0.000 0.504 359 G N -1.653 107.050 108.800 -0.163 0.000 2.356 359 G HA2 0.234 4.193 3.960 -0.000 0.000 0.266 359 G HA3 0.234 4.193 3.960 -0.000 0.000 0.266 359 G C -0.996 173.847 174.900 -0.096 0.000 1.312 359 G CA -0.819 44.199 45.100 -0.137 0.000 0.922 359 G HN 0.737 nan 8.290 nan 0.000 0.480 360 I N 3.315 123.832 120.570 -0.087 0.000 2.436 360 I HA 0.252 4.422 4.170 -0.000 0.000 0.289 360 I C -1.728 174.327 176.117 -0.103 0.000 1.083 360 I CA -1.528 59.725 61.300 -0.078 0.000 1.372 360 I CB 1.316 39.278 38.000 -0.064 0.000 1.408 360 I HN 0.149 nan 8.210 nan 0.000 0.516 361 P HA 0.030 nan 4.420 nan 0.000 0.264 361 P C -0.462 176.753 177.300 -0.141 0.000 1.193 361 P CA 0.148 63.161 63.100 -0.145 0.000 0.763 361 P CB 0.460 32.080 31.700 -0.134 0.000 0.810 362 T N 0.086 114.542 114.554 -0.164 0.000 2.900 362 T HA 0.511 4.861 4.350 -0.000 0.000 0.303 362 T C -0.230 174.373 174.700 -0.162 0.000 1.142 362 T CA -1.071 60.938 62.100 -0.152 0.000 1.007 362 T CB 1.778 70.562 68.868 -0.140 0.000 1.156 362 T HN 0.125 nan 8.240 nan 0.000 0.490 363 K N 0.685 121.006 120.400 -0.132 0.000 2.117 363 K HA 0.497 4.817 4.320 -0.000 0.000 0.240 363 K C 1.272 177.797 176.600 -0.125 0.000 1.031 363 K CA -0.848 55.365 56.287 -0.124 0.000 0.909 363 K CB 0.593 33.030 32.500 -0.106 0.000 1.097 363 K HN 0.324 nan 8.250 nan 0.000 0.492 364 V N 1.069 120.907 119.914 -0.126 0.000 2.568 364 V HA -0.240 3.880 4.120 -0.000 0.000 0.253 364 V C 2.210 178.270 176.094 -0.057 0.000 1.072 364 V CA 2.391 64.639 62.300 -0.086 0.000 1.084 364 V CB -1.045 30.618 31.823 -0.268 0.000 0.676 364 V HN 1.029 nan 8.190 nan 0.000 0.469 365 T N -2.910 111.581 114.554 -0.105 0.000 3.072 365 T HA 0.185 4.535 4.350 -0.000 0.000 0.266 365 T C 1.629 176.419 174.700 0.149 0.000 1.127 365 T CA 1.194 63.278 62.100 -0.026 0.000 1.107 365 T CB 0.366 69.202 68.868 -0.054 0.000 0.910 365 T HN 0.902 nan 8.240 nan 0.000 0.513 366 G N 0.673 109.541 108.800 0.114 0.000 2.213 366 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.236 366 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.236 366 G C -0.041 174.970 174.900 0.184 0.000 0.991 366 G CA -0.109 45.099 45.100 0.179 0.000 0.629 366 G HN 0.665 nan 8.290 nan 0.000 0.517 367 Q N 1.084 120.932 119.800 0.079 0.000 2.286 367 Q HA 0.493 4.832 4.340 -0.000 0.000 0.290 367 Q C 0.785 176.635 176.000 -0.250 0.000 1.049 367 Q CA 0.335 55.960 55.803 -0.295 0.000 0.923 367 Q CB 0.877 29.465 28.738 -0.249 0.000 1.183 367 Q HN 0.827 nan 8.270 nan 0.000 0.383 368 A N 3.831 126.454 122.820 -0.328 0.000 2.407 368 A HA 0.463 4.783 4.320 -0.000 0.000 0.248 368 A C -0.441 177.035 177.584 -0.179 0.000 1.082 368 A CA -0.299 51.617 52.037 -0.203 0.000 0.785 368 A CB 0.407 19.302 19.000 -0.175 0.000 1.020 368 A HN 0.707 nan 8.150 nan 0.000 0.489 369 L N 0.830 121.972 121.223 -0.134 0.000 2.354 369 L HA 0.703 5.043 4.340 -0.000 0.000 0.269 369 L C 0.416 177.232 176.870 -0.091 0.000 1.005 369 L CA -0.428 54.344 54.840 -0.113 0.000 0.819 369 L CB 2.380 44.375 42.059 -0.107 0.000 1.311 369 L HN 0.847 nan 8.230 nan 0.000 0.423 370 T N 0.764 115.271 114.554 -0.079 0.000 2.716 370 T HA 0.737 5.087 4.350 -0.000 0.000 0.286 370 T C -1.474 173.193 174.700 -0.056 0.000 1.052 370 T CA -0.436 61.626 62.100 -0.064 0.000 1.024 370 T CB 1.943 70.775 68.868 -0.061 0.000 1.349 370 T HN 0.425 nan 8.240 nan 0.000 0.525 371 V N 1.942 121.825 119.914 -0.051 0.000 2.680 371 V HA 0.795 4.915 4.120 -0.000 0.000 0.309 371 V C -0.212 175.857 176.094 -0.042 0.000 1.052 371 V CA -1.162 61.112 62.300 -0.044 0.000 0.908 371 V CB 1.408 33.208 31.823 -0.039 0.000 1.001 371 V HN 1.023 nan 8.190 nan 0.000 0.431 372 N N 2.211 120.889 118.700 -0.036 0.000 2.418 372 N HA 0.206 4.946 4.740 -0.000 0.000 0.283 372 N C 0.908 176.398 175.510 -0.032 0.000 1.267 372 N CA -0.068 52.962 53.050 -0.034 0.000 0.975 372 N CB 0.081 38.551 38.487 -0.029 0.000 1.167 372 N HN 0.857 nan 8.380 nan 0.000 0.581 373 E N -0.539 119.643 120.200 -0.029 0.000 2.267 373 E HA -0.216 4.134 4.350 -0.000 0.000 0.197 373 E C 0.609 177.195 176.600 -0.024 0.000 0.998 373 E CA 1.150 57.533 56.400 -0.028 0.000 0.830 373 E CB -0.354 29.331 29.700 -0.024 0.000 0.751 373 E HN 0.598 nan 8.360 nan 0.000 0.491 374 K N -0.077 120.310 120.400 -0.022 0.000 2.400 374 K HA 0.112 4.432 4.320 -0.000 0.000 0.194 374 K C 1.122 177.711 176.600 -0.018 0.000 1.033 374 K CA 0.475 56.751 56.287 -0.018 0.000 1.021 374 K CB 0.548 33.039 32.500 -0.016 0.000 0.808 374 K HN 0.335 nan 8.250 nan 0.000 0.505 375 G N 2.013 110.800 108.800 -0.022 0.000 2.157 375 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.239 375 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.239 375 G C -0.397 174.493 174.900 -0.018 0.000 0.982 375 G CA -0.174 44.914 45.100 -0.020 0.000 0.650 375 G HN 0.360 nan 8.290 nan 0.000 0.527 376 E N 0.936 121.124 120.200 -0.020 0.000 2.343 376 E HA 0.391 4.740 4.350 -0.000 0.000 0.269 376 E C -0.549 176.035 176.600 -0.026 0.000 1.047 376 E CA -0.675 55.713 56.400 -0.020 0.000 0.874 376 E CB 0.680 30.368 29.700 -0.019 0.000 1.033 376 E HN 0.203 nan 8.360 nan 0.000 0.409 377 D N 1.556 121.939 120.400 -0.027 0.000 2.390 377 D HA 0.161 4.801 4.640 -0.000 0.000 0.249 377 D C -0.629 175.645 176.300 -0.042 0.000 1.144 377 D CA 0.036 54.013 54.000 -0.038 0.000 0.880 377 D CB 1.234 42.010 40.800 -0.040 0.000 1.182 377 D HN 0.166 nan 8.370 nan 0.000 0.451 378 V N 0.363 120.247 119.914 -0.051 0.000 2.760 378 V HA 0.450 4.570 4.120 -0.000 0.000 0.309 378 V C -0.408 175.643 176.094 -0.072 0.000 1.077 378 V CA -0.884 61.383 62.300 -0.054 0.000 0.910 378 V CB 1.833 33.628 31.823 -0.046 0.000 1.008 378 V HN 0.210 nan 8.190 nan 0.000 0.424 379 V N 5.234 125.100 119.914 -0.080 0.000 2.655 379 V HA 0.167 4.287 4.120 -0.000 0.000 0.300 379 V C 0.576 176.600 176.094 -0.117 0.000 1.044 379 V CA -0.029 62.203 62.300 -0.113 0.000 1.095 379 V CB 1.424 33.174 31.823 -0.121 0.000 0.952 379 V HN 0.791 nan 8.190 nan 0.000 0.485 380 V N 8.144 127.969 119.914 -0.148 0.000 2.370 380 V HA 0.173 4.293 4.120 -0.000 0.000 0.257 380 V C -2.078 173.916 176.094 -0.166 0.000 1.064 380 V CA -1.568 60.651 62.300 -0.134 0.000 0.975 380 V CB 0.620 32.366 31.823 -0.128 0.000 1.067 380 V HN 0.803 nan 8.190 nan 0.000 0.485 381 P HA 0.187 nan 4.420 nan 0.000 0.260 381 P C 1.058 178.321 177.300 -0.061 0.000 1.185 381 P CA 1.337 64.387 63.100 -0.083 0.000 0.763 381 P CB 0.490 32.169 31.700 -0.033 0.000 0.776 382 G N 1.972 110.738 108.800 -0.056 0.000 2.213 382 G HA2 -0.228 3.731 3.960 -0.000 0.000 0.236 382 G HA3 -0.228 3.731 3.960 -0.000 0.000 0.236 382 G C -0.359 174.591 174.900 0.083 0.000 0.991 382 G CA -0.233 44.920 45.100 0.088 0.000 0.629 382 G HN 0.576 nan 8.290 nan 0.000 0.517 383 L N 0.901 122.012 121.223 -0.187 0.000 2.317 383 L HA 0.917 5.257 4.340 -0.000 0.000 0.281 383 L C -0.592 176.006 176.870 -0.453 0.000 1.024 383 L CA -1.287 53.469 54.840 -0.140 0.000 0.810 383 L CB 0.900 42.893 42.059 -0.110 0.000 1.240 383 L HN 0.069 nan 8.230 nan 0.000 0.427 384 F N 2.974 122.912 119.950 -0.020 0.000 2.650 384 F HA 0.888 5.415 4.527 -0.000 0.000 0.320 384 F C -0.160 175.621 175.800 -0.033 0.000 1.091 384 F CA -0.550 57.435 58.000 -0.024 0.000 0.962 384 F CB 2.108 41.100 39.000 -0.013 0.000 1.363 384 F HN 0.579 nan 8.300 nan 0.000 0.482 385 A N 0.945 123.859 122.820 0.157 0.000 2.513 385 A HA 0.765 5.085 4.320 -0.000 0.000 0.296 385 A C -1.798 175.815 177.584 0.048 0.000 1.052 385 A CA -0.705 51.369 52.037 0.061 0.000 0.714 385 A CB 1.350 20.348 19.000 -0.004 0.000 1.279 385 A HN 1.240 nan 8.150 nan 0.000 0.397 386 V N -0.302 119.637 119.914 0.042 0.000 2.971 386 V HA 1.017 5.137 4.120 -0.000 0.000 0.309 386 V C 0.441 176.567 176.094 0.053 0.000 1.130 386 V CA 0.219 62.554 62.300 0.059 0.000 0.964 386 V CB 0.843 32.725 31.823 0.098 0.000 1.029 386 V HN 2.958 nan 8.190 nan 0.000 0.427 387 G N 2.328 111.179 108.800 0.085 0.000 2.482 387 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.214 387 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.214 387 G C 0.445 175.398 174.900 0.088 0.000 1.271 387 G CA 0.597 45.761 45.100 0.106 0.000 0.944 387 G HN 1.423 nan 8.290 nan 0.000 0.568 388 E N -0.614 119.623 120.200 0.063 0.000 2.478 388 E HA 0.026 4.376 4.350 -0.000 0.000 0.198 388 E C 2.280 178.787 176.600 -0.155 0.000 1.046 388 E CA 1.031 57.397 56.400 -0.056 0.000 0.870 388 E CB -0.080 29.532 29.700 -0.146 0.000 0.818 388 E HN 0.438 nan 8.360 nan 0.000 0.527 389 I N 0.362 120.880 120.570 -0.085 0.000 3.059 389 I HA 0.118 4.288 4.170 -0.000 0.000 0.270 389 I C 0.512 176.575 176.117 -0.089 0.000 1.238 389 I CA 0.149 61.392 61.300 -0.096 0.000 1.478 389 I CB -0.031 37.932 38.000 -0.062 0.000 1.097 389 I HN 0.029 nan 8.210 nan 0.000 0.455 390 A N -0.487 122.292 122.820 -0.070 0.000 2.279 390 A HA 0.526 4.845 4.320 -0.000 0.000 0.303 390 A C -0.407 177.119 177.584 -0.097 0.000 1.108 390 A CA -0.389 51.597 52.037 -0.085 0.000 0.830 390 A CB 0.655 19.601 19.000 -0.090 0.000 1.106 390 A HN 0.350 nan 8.150 nan 0.000 0.493 391 C N 3.093 122.316 119.300 -0.128 0.000 2.814 391 C HA 0.458 4.918 4.460 -0.000 0.000 0.269 391 C C 1.322 176.192 174.990 -0.201 0.000 1.090 391 C CA -0.411 58.527 59.018 -0.133 0.000 1.492 391 C CB -1.293 26.369 27.740 -0.129 0.000 1.825 391 C HN 0.655 nan 8.230 nan 0.000 0.442 392 V N 3.202 122.966 119.914 -0.251 0.000 2.295 392 V HA -0.025 4.095 4.120 -0.000 0.000 0.246 392 V C 1.446 177.390 176.094 -0.249 0.000 1.049 392 V CA 1.950 64.047 62.300 -0.339 0.000 1.024 392 V CB -0.327 31.137 31.823 -0.598 0.000 0.648 392 V HN 0.821 nan 8.190 nan 0.000 0.447 393 S N -0.586 115.006 115.700 -0.181 0.000 2.454 393 S HA 0.414 4.884 4.470 -0.000 0.000 0.306 393 S C 0.205 174.738 174.600 -0.111 0.000 1.100 393 S CA -0.264 57.854 58.200 -0.137 0.000 1.087 393 S CB 1.889 65.074 63.200 -0.025 0.000 1.019 393 S HN 0.264 nan 8.310 nan 0.000 0.480 394 V N 2.808 122.559 119.914 -0.272 0.000 3.578 394 V HA 0.436 4.556 4.120 -0.000 0.000 0.290 394 V C 0.854 176.736 176.094 -0.353 0.000 1.376 394 V CA 0.217 62.341 62.300 -0.293 0.000 1.083 394 V CB -0.752 30.893 31.823 -0.297 0.000 0.911 394 V HN 0.926 nan 8.190 nan 0.000 0.433 395 H N 0.579 119.687 119.070 0.063 0.000 3.058 395 H HA 0.452 5.007 4.556 -0.000 0.000 0.258 395 H C 1.837 177.200 175.328 0.057 0.000 1.015 395 H CA 0.446 56.526 56.048 0.054 0.000 1.210 395 H CB 0.867 30.670 29.762 0.068 0.000 1.481 395 H HN 0.508 nan 8.280 nan 0.000 0.492 396 G N 1.604 110.501 108.800 0.162 0.000 2.629 396 G HA2 -0.413 3.547 3.960 -0.000 0.000 0.313 396 G HA3 -0.413 3.547 3.960 -0.000 0.000 0.313 396 G C 1.211 176.188 174.900 0.130 0.000 1.217 396 G CA 1.547 46.730 45.100 0.138 0.000 0.994 396 G HN 0.597 nan 8.290 nan 0.000 0.549 397 A N 0.149 123.028 122.820 0.098 0.000 2.308 397 A HA 0.573 4.893 4.320 -0.000 0.000 0.217 397 A C 0.745 178.391 177.584 0.103 0.000 1.216 397 A CA 1.566 53.661 52.037 0.098 0.000 0.864 397 A CB -0.145 18.910 19.000 0.092 0.000 0.902 397 A HN 1.729 nan 8.150 nan 0.000 0.499 398 N N -0.721 118.039 118.700 0.100 0.000 2.839 398 N HA 0.161 4.901 4.740 -0.000 0.000 0.258 398 N C -1.004 174.553 175.510 0.079 0.000 1.150 398 N CA -0.394 52.708 53.050 0.086 0.000 0.957 398 N CB 0.876 39.405 38.487 0.069 0.000 1.560 398 N HN 0.243 nan 8.380 nan 0.000 0.588 399 R N 3.707 124.232 120.500 0.041 0.000 2.441 399 R HA 0.430 4.770 4.340 -0.000 0.000 0.284 399 R C -0.465 175.824 176.300 -0.018 0.000 1.070 399 R CA -0.386 55.696 56.100 -0.030 0.000 1.047 399 R CB 0.565 30.605 30.300 -0.433 0.000 1.016 399 R HN 0.545 nan 8.270 nan 0.000 0.477 400 L N 2.849 124.101 121.223 0.049 0.000 2.371 400 L HA 0.286 4.626 4.340 -0.000 0.000 0.272 400 L C 1.025 177.947 176.870 0.086 0.000 1.124 400 L CA -0.545 54.343 54.840 0.080 0.000 0.816 400 L CB 1.205 43.349 42.059 0.143 0.000 1.129 400 L HN 0.826 nan 8.230 nan 0.000 0.448 401 G N 0.736 109.647 108.800 0.186 0.000 2.272 401 G HA2 0.346 4.306 3.960 -0.000 0.000 0.247 401 G HA3 0.346 4.306 3.960 -0.000 0.000 0.247 401 G C 0.934 175.905 174.900 0.119 0.000 1.272 401 G CA 0.516 45.829 45.100 0.355 0.000 0.921 401 G HN 1.055 nan 8.290 nan 0.000 0.495 402 G N 2.480 111.253 108.800 -0.046 0.000 2.194 402 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.236 402 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.236 402 G C 1.153 176.032 174.900 -0.035 0.000 0.987 402 G CA 0.522 45.509 45.100 -0.188 0.000 0.635 402 G HN 0.657 nan 8.290 nan 0.000 0.520 403 N N 0.514 119.236 118.700 0.037 0.000 2.446 403 N HA 0.141 4.881 4.740 -0.000 0.000 0.179 403 N C 2.121 177.731 175.510 0.166 0.000 1.054 403 N CA 1.319 54.462 53.050 0.154 0.000 0.905 403 N CB 0.029 38.664 38.487 0.247 0.000 0.973 403 N HN 0.431 nan 8.380 nan 0.000 0.448 404 S N 0.283 115.972 115.700 -0.018 0.000 2.345 404 S HA 0.102 4.572 4.470 -0.000 0.000 0.219 404 S C 1.831 176.494 174.600 0.105 0.000 1.031 404 S CA 0.563 58.750 58.200 -0.022 0.000 0.984 404 S CB -0.190 62.900 63.200 -0.184 0.000 0.874 404 S HN 0.204 nan 8.310 nan 0.000 0.451 405 L N 1.121 122.385 121.223 0.067 0.000 2.079 405 L HA -0.102 4.238 4.340 -0.000 0.000 0.210 405 L C 2.522 179.448 176.870 0.092 0.000 1.081 405 L CA 0.957 55.841 54.840 0.074 0.000 0.752 405 L CB -0.615 41.469 42.059 0.043 0.000 0.896 405 L HN 0.370 nan 8.230 nan 0.000 0.433 406 L N 0.460 121.743 121.223 0.100 0.000 2.017 406 L HA -0.249 4.091 4.340 -0.000 0.000 0.208 406 L C 2.183 179.142 176.870 0.148 0.000 1.073 406 L CA 2.088 56.992 54.840 0.107 0.000 0.745 406 L CB -0.677 41.459 42.059 0.129 0.000 0.894 406 L HN 0.239 nan 8.230 nan 0.000 0.432 407 D N -0.563 119.985 120.400 0.246 0.000 2.104 407 D HA -0.238 4.402 4.640 -0.000 0.000 0.194 407 D C 2.160 178.670 176.300 0.349 0.000 0.994 407 D CA 2.047 56.283 54.000 0.394 0.000 0.830 407 D CB -0.254 40.832 40.800 0.477 0.000 0.959 407 D HN 0.461 nan 8.370 nan 0.000 0.452 408 L N -0.250 121.113 121.223 0.234 0.000 1.990 408 L HA -0.194 4.146 4.340 -0.000 0.000 0.213 408 L C 2.767 179.721 176.870 0.141 0.000 1.072 408 L CA 1.102 56.048 54.840 0.177 0.000 0.755 408 L CB -0.754 41.378 42.059 0.122 0.000 0.889 408 L HN 0.035 nan 8.230 nan 0.000 0.432 409 V N -0.781 119.192 119.914 0.099 0.000 2.307 409 V HA -0.204 3.916 4.120 -0.000 0.000 0.245 409 V C 2.431 178.541 176.094 0.027 0.000 1.045 409 V CA 1.383 63.715 62.300 0.052 0.000 1.024 409 V CB -0.190 31.652 31.823 0.032 0.000 0.651 409 V HN 0.174 nan 8.190 nan 0.000 0.449 410 V N -0.648 119.257 119.914 -0.017 0.000 2.295 410 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 410 V C 2.146 178.154 176.094 -0.144 0.000 1.049 410 V CA 2.237 64.442 62.300 -0.158 0.000 1.024 410 V CB -0.673 30.937 31.823 -0.354 0.000 0.648 410 V HN 0.477 nan 8.190 nan 0.000 0.447 411 F N 0.724 120.752 119.950 0.130 0.000 2.569 411 F HA 0.225 4.752 4.527 -0.000 0.000 0.295 411 F C 2.276 178.124 175.800 0.080 0.000 1.115 411 F CA 0.786 58.854 58.000 0.113 0.000 1.450 411 F CB -1.008 38.042 39.000 0.082 0.000 1.107 411 F HN 0.157 nan 8.300 nan 0.000 0.563 412 G N -0.099 108.827 108.800 0.211 0.000 2.402 412 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.216 412 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.216 412 G C 1.826 176.773 174.900 0.079 0.000 1.162 412 G CA 0.526 45.698 45.100 0.120 0.000 0.777 412 G HN 0.236 nan 8.290 nan 0.000 0.539 413 R N 0.390 120.929 120.500 0.066 0.000 2.090 413 R HA 0.110 4.450 4.340 -0.000 0.000 0.228 413 R C 2.866 179.204 176.300 0.064 0.000 1.110 413 R CA 1.248 57.369 56.100 0.036 0.000 0.973 413 R CB -0.305 30.001 30.300 0.010 0.000 0.869 413 R HN 0.278 nan 8.270 nan 0.000 0.440 414 A N 0.908 123.806 122.820 0.131 0.000 1.877 414 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 414 A C 2.357 180.079 177.584 0.231 0.000 1.186 414 A CA 1.746 53.919 52.037 0.226 0.000 0.620 414 A CB -0.859 18.291 19.000 0.250 0.000 0.822 414 A HN 0.512 nan 8.150 nan 0.000 0.443 415 A N -0.638 122.285 122.820 0.172 0.000 1.978 415 A HA 0.089 4.409 4.320 -0.000 0.000 0.220 415 A C 2.354 179.946 177.584 0.014 0.000 1.170 415 A CA 2.026 54.130 52.037 0.110 0.000 0.636 415 A CB -1.261 17.786 19.000 0.079 0.000 0.810 415 A HN 0.724 nan 8.150 nan 0.000 0.448 416 G N -0.453 108.347 108.800 -0.001 0.000 2.394 416 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.214 416 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.214 416 G C 1.527 176.389 174.900 -0.063 0.000 1.176 416 G CA 0.830 45.902 45.100 -0.048 0.000 0.786 416 G HN 0.414 nan 8.290 nan 0.000 0.533 417 L N -0.170 121.003 121.223 -0.083 0.000 2.131 417 L HA -0.033 4.306 4.340 -0.000 0.000 0.210 417 L C 2.063 178.752 176.870 -0.302 0.000 1.092 417 L CA 0.864 55.575 54.840 -0.216 0.000 0.759 417 L CB -0.198 41.674 42.059 -0.312 0.000 0.903 417 L HN 0.299 nan 8.230 nan 0.000 0.435 418 H N -1.633 117.438 119.070 0.003 0.000 2.542 418 H HA 0.089 4.645 4.556 -0.000 0.000 0.283 418 H C 1.695 177.025 175.328 0.004 0.000 1.059 418 H CA -0.095 55.961 56.048 0.013 0.000 1.162 418 H CB 0.845 30.625 29.762 0.030 0.000 1.539 418 H HN 0.182 nan 8.280 nan 0.000 0.543 419 L N 1.035 122.272 121.223 0.024 0.000 2.017 419 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 419 L C 2.460 179.325 176.870 -0.009 0.000 1.073 419 L CA 1.678 56.479 54.840 -0.064 0.000 0.745 419 L CB -0.270 41.693 42.059 -0.161 0.000 0.894 419 L HN 0.140 nan 8.230 nan 0.000 0.432 420 Q N -0.709 119.090 119.800 -0.002 0.000 2.061 420 Q HA -0.254 4.085 4.340 -0.000 0.000 0.204 420 Q C 2.076 178.103 176.000 0.045 0.000 0.984 420 Q CA 2.153 57.964 55.803 0.014 0.000 0.846 420 Q CB -0.062 28.677 28.738 0.002 0.000 0.902 420 Q HN 0.624 nan 8.270 nan 0.000 0.421 421 E N -0.506 119.735 120.200 0.068 0.000 2.150 421 E HA -0.103 4.247 4.350 -0.000 0.000 0.193 421 E C 2.062 178.721 176.600 0.099 0.000 0.985 421 E CA 0.937 57.387 56.400 0.084 0.000 0.814 421 E CB 0.127 29.894 29.700 0.112 0.000 0.752 421 E HN 0.150 nan 8.360 nan 0.000 0.466 422 S N 0.773 116.555 115.700 0.137 0.000 2.383 422 S HA -0.063 4.407 4.470 -0.000 0.000 0.227 422 S C 2.003 176.711 174.600 0.181 0.000 1.026 422 S CA 0.645 58.960 58.200 0.191 0.000 0.981 422 S CB -0.046 63.372 63.200 0.362 0.000 0.818 422 S HN 0.204 nan 8.310 nan 0.000 0.472 423 I N 1.558 122.217 120.570 0.148 0.000 2.286 423 I HA -0.147 4.023 4.170 -0.000 0.000 0.245 423 I C 2.650 178.815 176.117 0.079 0.000 1.104 423 I CA 1.002 62.373 61.300 0.120 0.000 1.397 423 I CB -0.425 37.621 38.000 0.077 0.000 1.072 423 I HN 0.260 nan 8.210 nan 0.000 0.417 424 A N 0.302 123.160 122.820 0.063 0.000 1.969 424 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 424 A C 2.299 179.908 177.584 0.043 0.000 1.169 424 A CA 1.717 53.781 52.037 0.045 0.000 0.635 424 A CB -0.547 18.476 19.000 0.038 0.000 0.810 424 A HN 0.508 nan 8.150 nan 0.000 0.445 425 E N 0.271 120.502 120.200 0.052 0.000 2.106 425 E HA -0.264 4.086 4.350 -0.000 0.000 0.192 425 E C 2.127 178.746 176.600 0.031 0.000 0.984 425 E CA 1.345 57.768 56.400 0.039 0.000 0.806 425 E CB -0.187 29.537 29.700 0.041 0.000 0.750 425 E HN 0.889 nan 8.360 nan 0.000 0.458 426 Q N -0.120 119.706 119.800 0.043 0.000 2.389 426 Q HA 0.136 4.476 4.340 -0.000 0.000 0.204 426 Q C 0.913 176.930 176.000 0.028 0.000 0.944 426 Q CA 0.566 56.387 55.803 0.030 0.000 0.908 426 Q CB 0.242 29.005 28.738 0.042 0.000 1.002 426 Q HN 0.198 nan 8.270 nan 0.000 0.493 427 G N 1.209 110.029 108.800 0.034 0.000 2.860 427 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.553 427 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.553 427 G C -0.275 174.644 174.900 0.032 0.000 1.439 427 G CA -0.433 44.684 45.100 0.028 0.000 0.879 427 G HN 0.837 nan 8.290 nan 0.000 0.545 428 A N -0.226 122.610 122.820 0.026 0.000 2.520 428 A HA 0.548 4.868 4.320 -0.000 0.000 0.245 428 A C 0.793 178.394 177.584 0.029 0.000 1.072 428 A CA 0.369 52.423 52.037 0.028 0.000 0.761 428 A CB -0.035 18.978 19.000 0.021 0.000 1.004 428 A HN 1.251 nan 8.150 nan 0.000 0.499 429 L N 2.918 124.163 121.223 0.036 0.000 2.289 429 L HA 0.432 4.772 4.340 -0.000 0.000 0.285 429 L C 0.978 177.870 176.870 0.036 0.000 1.049 429 L CA -0.590 54.273 54.840 0.038 0.000 0.804 429 L CB 1.066 43.155 42.059 0.051 0.000 1.195 429 L HN 0.853 nan 8.230 nan 0.000 0.428 430 R N 1.433 121.950 120.500 0.030 0.000 2.643 430 R HA 0.045 4.385 4.340 -0.000 0.000 0.270 430 R C -0.574 175.748 176.300 0.038 0.000 1.061 430 R CA -0.570 55.546 56.100 0.027 0.000 1.107 430 R CB 0.549 30.860 30.300 0.018 0.000 0.999 430 R HN 0.508 nan 8.270 nan 0.000 0.460 431 D N 1.541 121.964 120.400 0.038 0.000 2.423 431 D HA 0.081 4.721 4.640 -0.000 0.000 0.238 431 D C -0.415 175.910 176.300 0.041 0.000 1.142 431 D CA 0.454 54.486 54.000 0.053 0.000 0.884 431 D CB 1.012 41.840 40.800 0.047 0.000 1.199 431 D HN 0.596 nan 8.370 nan 0.000 0.438 432 A N 1.853 124.704 122.820 0.052 0.000 2.401 432 A HA 0.416 4.736 4.320 -0.000 0.000 0.259 432 A C 0.724 178.289 177.584 -0.032 0.000 1.103 432 A CA -0.507 51.525 52.037 -0.009 0.000 0.789 432 A CB 0.145 19.104 19.000 -0.069 0.000 1.035 432 A HN 0.532 nan 8.150 nan 0.000 0.491 433 S N 1.191 116.866 115.700 -0.041 0.000 2.617 433 S HA 0.136 4.606 4.470 -0.000 0.000 0.259 433 S C 0.910 175.471 174.600 -0.065 0.000 1.301 433 S CA 0.406 58.584 58.200 -0.038 0.000 0.984 433 S CB 0.690 63.873 63.200 -0.028 0.000 0.954 433 S HN 0.815 nan 8.310 nan 0.000 0.572 434 E N 0.271 120.444 120.200 -0.046 0.000 2.204 434 E HA -0.137 4.213 4.350 -0.000 0.000 0.194 434 E C 1.874 178.439 176.600 -0.058 0.000 0.989 434 E CA 1.231 57.600 56.400 -0.052 0.000 0.824 434 E CB -0.231 29.453 29.700 -0.026 0.000 0.756 434 E HN 0.810 nan 8.360 nan 0.000 0.477 435 S N -0.074 115.597 115.700 -0.048 0.000 2.446 435 S HA -0.081 4.389 4.470 -0.000 0.000 0.225 435 S C 1.444 176.010 174.600 -0.056 0.000 1.016 435 S CA 0.697 58.871 58.200 -0.043 0.000 0.943 435 S CB 0.012 63.194 63.200 -0.030 0.000 0.786 435 S HN 0.173 nan 8.310 nan 0.000 0.508 436 D N 2.090 122.447 120.400 -0.072 0.000 2.084 436 D HA -0.052 4.588 4.640 -0.000 0.000 0.194 436 D C 2.141 178.365 176.300 -0.127 0.000 0.990 436 D CA 1.215 55.163 54.000 -0.086 0.000 0.826 436 D CB -0.564 40.182 40.800 -0.089 0.000 0.971 436 D HN 0.320 nan 8.370 nan 0.000 0.453 437 V N 0.846 120.642 119.914 -0.197 0.000 2.427 437 V HA -0.204 3.916 4.120 -0.000 0.000 0.248 437 V C 2.393 178.415 176.094 -0.121 0.000 1.051 437 V CA 1.540 63.684 62.300 -0.259 0.000 1.048 437 V CB -0.412 31.185 31.823 -0.377 0.000 0.666 437 V HN 0.084 nan 8.190 nan 0.000 0.456 438 E N 0.879 121.031 120.200 -0.081 0.000 2.153 438 E HA -0.167 4.183 4.350 -0.000 0.000 0.194 438 E C 2.113 178.699 176.600 -0.023 0.000 0.988 438 E CA 1.463 57.840 56.400 -0.038 0.000 0.811 438 E CB -0.456 29.227 29.700 -0.029 0.000 0.746 438 E HN 0.531 nan 8.360 nan 0.000 0.466 439 A N -0.288 122.513 122.820 -0.032 0.000 2.019 439 A HA -0.125 4.194 4.320 -0.000 0.000 0.219 439 A C 2.281 179.863 177.584 -0.004 0.000 1.164 439 A CA 1.643 53.670 52.037 -0.018 0.000 0.644 439 A CB -0.463 18.523 19.000 -0.024 0.000 0.805 439 A HN 0.245 nan 8.150 nan 0.000 0.449 440 S N -0.492 115.203 115.700 -0.008 0.000 2.515 440 S HA 0.103 4.573 4.470 -0.000 0.000 0.231 440 S C 1.293 175.921 174.600 0.047 0.000 0.987 440 S CA 0.714 58.926 58.200 0.019 0.000 0.936 440 S CB -0.191 63.018 63.200 0.015 0.000 0.766 440 S HN 0.542 nan 8.310 nan 0.000 0.528 441 L N 0.452 121.698 121.223 0.039 0.000 2.616 441 L HA 0.163 4.503 4.340 -0.000 0.000 0.229 441 L C 1.366 178.271 176.870 0.058 0.000 1.110 441 L CA 0.062 54.938 54.840 0.059 0.000 0.884 441 L CB -0.201 41.887 42.059 0.049 0.000 1.115 441 L HN 0.062 nan 8.230 nan 0.000 0.481 442 D N 1.059 121.482 120.400 0.039 0.000 2.133 442 D HA -0.229 4.411 4.640 -0.000 0.000 0.195 442 D C 2.149 178.473 176.300 0.040 0.000 0.997 442 D CA 1.263 55.279 54.000 0.026 0.000 0.840 442 D CB 0.064 40.869 40.800 0.008 0.000 0.947 442 D HN 0.222 nan 8.370 nan 0.000 0.452 443 R N 0.028 120.571 120.500 0.071 0.000 2.092 443 R HA -0.107 4.233 4.340 -0.000 0.000 0.231 443 R C 2.289 178.723 176.300 0.224 0.000 1.119 443 R CA 0.653 56.822 56.100 0.115 0.000 0.970 443 R CB -0.254 30.136 30.300 0.150 0.000 0.864 443 R HN 0.121 nan 8.270 nan 0.000 0.440 444 L N 1.241 122.585 121.223 0.203 0.000 2.072 444 L HA -0.081 4.259 4.340 -0.000 0.000 0.205 444 L C 1.375 178.359 176.870 0.190 0.000 1.079 444 L CA 1.772 56.748 54.840 0.227 0.000 0.752 444 L CB -0.567 41.580 42.059 0.146 0.000 0.906 444 L HN 0.144 nan 8.230 nan 0.000 0.436 445 N N -0.084 118.682 118.700 0.110 0.000 2.223 445 N HA -0.197 4.543 4.740 -0.000 0.000 0.185 445 N C 1.958 177.498 175.510 0.049 0.000 1.016 445 N CA 1.122 54.214 53.050 0.070 0.000 0.863 445 N CB -0.392 38.118 38.487 0.038 0.000 0.983 445 N HN 0.408 nan 8.380 nan 0.000 0.429 446 R N -0.182 120.325 120.500 0.012 0.000 2.070 446 R HA -0.123 4.217 4.340 -0.000 0.000 0.233 446 R C 1.919 178.165 176.300 -0.091 0.000 1.137 446 R CA 1.394 57.437 56.100 -0.095 0.000 0.945 446 R CB -0.295 29.873 30.300 -0.220 0.000 0.845 446 R HN 0.248 nan 8.270 nan 0.000 0.430 447 W N 1.388 122.681 121.300 -0.011 0.000 2.333 447 W HA -0.180 4.480 4.660 -0.000 0.000 0.316 447 W C 2.099 178.608 176.519 -0.017 0.000 1.215 447 W CA 0.865 58.199 57.345 -0.017 0.000 1.278 447 W CB -0.553 28.892 29.460 -0.024 0.000 1.154 447 W HN 0.204 nan 8.180 nan 0.000 0.486 448 N N -0.055 118.780 118.700 0.224 0.000 2.272 448 N HA -0.159 4.581 4.740 -0.000 0.000 0.185 448 N C 0.669 176.224 175.510 0.074 0.000 1.014 448 N CA 1.480 54.602 53.050 0.121 0.000 0.870 448 N CB -0.681 37.858 38.487 0.086 0.000 0.975 448 N HN 0.400 nan 8.380 nan 0.000 0.433 449 N N -0.389 118.343 118.700 0.052 0.000 2.205 449 N HA 0.030 4.770 4.740 -0.000 0.000 0.201 449 N C -0.388 175.125 175.510 0.005 0.000 1.128 449 N CA -0.168 52.894 53.050 0.020 0.000 0.867 449 N CB 0.397 38.886 38.487 0.003 0.000 0.996 449 N HN 0.057 nan 8.380 nan 0.000 0.503 450 N N 1.251 119.957 118.700 0.010 0.000 2.457 450 N HA 0.196 4.936 4.740 -0.000 0.000 0.250 450 N C 0.125 175.652 175.510 0.029 0.000 0.982 450 N CA -0.015 53.029 53.050 -0.011 0.000 0.941 450 N CB 0.685 39.124 38.487 -0.081 0.000 1.120 450 N HN 0.025 nan 8.380 nan 0.000 0.505 451 R N 2.347 122.857 120.500 0.016 0.000 2.225 451 R HA 0.224 4.564 4.340 -0.000 0.000 0.194 451 R C 0.220 176.531 176.300 0.020 0.000 0.949 451 R CA 0.328 56.443 56.100 0.026 0.000 1.088 451 R CB 0.064 30.375 30.300 0.019 0.000 1.106 451 R HN 0.502 nan 8.270 nan 0.000 0.566 452 N N 0.868 119.571 118.700 0.006 0.000 2.235 452 N HA 0.087 4.827 4.740 -0.000 0.000 0.209 452 N C 0.764 176.273 175.510 -0.003 0.000 1.122 452 N CA 0.176 53.228 53.050 0.003 0.000 0.845 452 N CB 0.809 39.294 38.487 -0.002 0.000 1.004 452 N HN 0.123 nan 8.380 nan 0.000 0.499 453 G N 0.298 109.094 108.800 -0.006 0.000 2.486 453 G HA2 0.089 4.049 3.960 -0.000 0.000 0.272 453 G HA3 0.089 4.049 3.960 -0.000 0.000 0.272 453 G C 0.139 175.040 174.900 0.000 0.000 1.426 453 G CA -0.351 44.737 45.100 -0.019 0.000 1.058 453 G HN 0.100 nan 8.290 nan 0.000 0.531 454 E N -0.352 119.847 120.200 -0.002 0.000 2.349 454 E HA 0.119 4.469 4.350 -0.000 0.000 0.262 454 E C -0.807 175.820 176.600 0.045 0.000 1.088 454 E CA -0.465 55.944 56.400 0.015 0.000 0.899 454 E CB 1.026 30.730 29.700 0.006 0.000 1.044 454 E HN 0.354 nan 8.360 nan 0.000 0.420 455 D N 2.310 122.736 120.400 0.042 0.000 2.339 455 D HA 0.026 4.666 4.640 -0.000 0.000 0.256 455 D C -1.558 174.783 176.300 0.068 0.000 1.214 455 D CA -2.079 51.954 54.000 0.054 0.000 0.877 455 D CB 0.963 41.784 40.800 0.036 0.000 1.111 455 D HN 0.088 nan 8.370 nan 0.000 0.478 456 P HA -0.140 nan 4.420 nan 0.000 0.220 456 P C 1.544 178.884 177.300 0.067 0.000 1.148 456 P CA 0.380 63.552 63.100 0.121 0.000 0.803 456 P CB 0.385 32.179 31.700 0.156 0.000 0.782 457 V N 1.146 121.087 119.914 0.044 0.000 2.295 457 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 457 V C 2.839 178.949 176.094 0.028 0.000 1.049 457 V CA 2.293 64.610 62.300 0.028 0.000 1.024 457 V CB -1.732 30.103 31.823 0.020 0.000 0.648 457 V HN 0.118 nan 8.190 nan 0.000 0.447 458 A N -0.247 122.590 122.820 0.028 0.000 1.933 458 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 458 A C 2.181 179.778 177.584 0.021 0.000 1.175 458 A CA 1.754 53.804 52.037 0.022 0.000 0.628 458 A CB -0.520 18.492 19.000 0.020 0.000 0.814 458 A HN 0.524 nan 8.150 nan 0.000 0.444 459 I N -1.119 119.470 120.570 0.032 0.000 2.252 459 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 459 I C 2.714 178.846 176.117 0.025 0.000 1.102 459 I CA 1.573 62.893 61.300 0.032 0.000 1.385 459 I CB -0.344 37.688 38.000 0.054 0.000 1.064 459 I HN 0.393 nan 8.210 nan 0.000 0.414 460 R N 1.697 122.215 120.500 0.029 0.000 2.073 460 R HA -0.177 4.163 4.340 -0.000 0.000 0.234 460 R C 2.222 178.526 176.300 0.006 0.000 1.134 460 R CA 1.558 57.669 56.100 0.018 0.000 0.952 460 R CB -0.032 30.280 30.300 0.021 0.000 0.850 460 R HN 0.264 nan 8.270 nan 0.000 0.433 461 K N -0.198 120.208 120.400 0.010 0.000 2.148 461 K HA -0.050 4.270 4.320 -0.000 0.000 0.204 461 K C 2.029 178.622 176.600 -0.011 0.000 1.050 461 K CA 1.150 57.441 56.287 0.006 0.000 0.942 461 K CB -0.026 32.482 32.500 0.014 0.000 0.724 461 K HN 0.229 nan 8.250 nan 0.000 0.446 462 A N 1.590 124.403 122.820 -0.011 0.000 1.897 462 A HA -0.103 4.217 4.320 -0.000 0.000 0.215 462 A C 2.092 179.656 177.584 -0.033 0.000 1.181 462 A CA 0.865 52.887 52.037 -0.025 0.000 0.620 462 A CB -0.502 18.491 19.000 -0.011 0.000 0.821 462 A HN 0.280 nan 8.150 nan 0.000 0.443 463 L N -0.566 120.641 121.223 -0.026 0.000 2.017 463 L HA -0.270 4.070 4.340 -0.000 0.000 0.208 463 L C 2.707 179.530 176.870 -0.078 0.000 1.073 463 L CA 2.030 56.844 54.840 -0.043 0.000 0.745 463 L CB -0.394 41.643 42.059 -0.037 0.000 0.894 463 L HN 0.476 nan 8.230 nan 0.000 0.432 464 Q N -0.597 119.163 119.800 -0.067 0.000 2.124 464 Q HA -0.281 4.059 4.340 -0.000 0.000 0.202 464 Q C 2.060 178.038 176.000 -0.036 0.000 0.977 464 Q CA 1.883 57.642 55.803 -0.072 0.000 0.850 464 Q CB -0.124 28.601 28.738 -0.022 0.000 0.901 464 Q HN 0.589 nan 8.270 nan 0.000 0.429 465 E N 0.036 120.208 120.200 -0.046 0.000 2.150 465 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 465 E C 2.005 178.515 176.600 -0.150 0.000 0.985 465 E CA 0.923 57.262 56.400 -0.101 0.000 0.814 465 E CB -0.059 29.529 29.700 -0.187 0.000 0.752 465 E HN 0.368 nan 8.360 nan 0.000 0.466 466 C N 0.596 119.844 119.300 -0.086 0.000 2.446 466 C HA -0.088 4.372 4.460 -0.000 0.000 0.277 466 C C 2.556 177.622 174.990 0.127 0.000 1.275 466 C CA 0.651 59.669 59.018 -0.001 0.000 1.727 466 C CB -0.692 27.065 27.740 0.029 0.000 2.010 466 C HN 0.496 nan 8.230 nan 0.000 0.486 467 M N 0.123 119.741 119.600 0.031 0.000 2.200 467 M HA -0.068 4.412 4.480 -0.000 0.000 0.265 467 M C 2.071 178.492 176.300 0.201 0.000 1.066 467 M CA 1.452 56.743 55.300 -0.015 0.000 1.127 467 M CB -1.657 30.530 32.600 -0.688 0.000 1.379 467 M HN 0.452 nan 8.290 nan 0.000 0.420 468 Q N -0.101 119.846 119.800 0.244 0.000 2.119 468 Q HA -0.099 4.241 4.340 -0.000 0.000 0.201 468 Q C 1.903 178.123 176.000 0.367 0.000 0.972 468 Q CA 1.666 57.720 55.803 0.418 0.000 0.847 468 Q CB -0.157 28.804 28.738 0.372 0.000 0.903 468 Q HN 0.616 nan 8.270 nan 0.000 0.433 469 H N -1.247 117.893 119.070 0.116 0.000 2.403 469 H HA 0.110 4.666 4.556 -0.000 0.000 0.298 469 H C 0.770 176.101 175.328 0.006 0.000 1.059 469 H CA 0.954 57.037 56.048 0.059 0.000 1.363 469 H CB 0.547 30.332 29.762 0.039 0.000 1.410 469 H HN 0.295 nan 8.280 nan 0.000 0.528 470 N N -0.362 118.394 118.700 0.093 0.000 2.184 470 N HA 0.028 4.768 4.740 -0.000 0.000 0.206 470 N C -0.465 174.664 175.510 -0.635 0.000 1.151 470 N CA 0.288 53.174 53.050 -0.273 0.000 0.878 470 N CB 0.839 39.084 38.487 -0.402 0.000 1.014 470 N HN 0.174 nan 8.380 nan 0.000 0.512 471 F N -0.133 119.914 119.950 0.161 0.000 2.671 471 F HA 0.326 4.853 4.527 -0.000 0.000 0.384 471 F C 0.950 176.944 175.800 0.323 0.000 1.351 471 F CA -0.469 57.656 58.000 0.208 0.000 1.151 471 F CB 0.284 39.383 39.000 0.165 0.000 1.147 471 F HN -0.230 nan 8.300 nan 0.000 0.513 472 S N -0.432 115.417 115.700 0.249 0.000 2.307 472 S HA 0.295 4.765 4.470 -0.000 0.000 0.252 472 S C 1.751 176.078 174.600 -0.455 0.000 1.204 472 S CA -0.018 58.139 58.200 -0.071 0.000 1.018 472 S CB 0.393 63.514 63.200 -0.132 0.000 1.077 472 S HN -0.041 nan 8.310 nan 0.000 0.454 473 V N 0.544 119.931 119.914 -0.878 0.000 2.287 473 V HA -0.029 4.091 4.120 -0.000 0.000 0.248 473 V C 0.380 176.055 176.094 -0.699 0.000 1.053 473 V CA 1.526 63.309 62.300 -0.862 0.000 1.027 473 V CB -0.704 30.601 31.823 -0.864 0.000 0.646 473 V HN 0.539 nan 8.190 nan 0.000 0.447 474 F N -0.258 119.539 119.950 -0.255 0.000 2.436 474 F HA 0.663 5.190 4.527 -0.000 0.000 0.340 474 F C 0.471 176.143 175.800 -0.213 0.000 1.113 474 F CA -0.742 57.086 58.000 -0.288 0.000 1.022 474 F CB 1.140 40.032 39.000 -0.180 0.000 1.128 474 F HN -0.115 nan 8.300 nan 0.000 0.466 475 R N 1.625 122.056 120.500 -0.114 0.000 2.854 475 R HA 0.687 5.027 4.340 -0.000 0.000 0.271 475 R C -1.186 175.099 176.300 -0.025 0.000 0.994 475 R CA -1.181 54.874 56.100 -0.074 0.000 0.945 475 R CB 2.854 33.099 30.300 -0.092 0.000 1.194 475 R HN 0.768 nan 8.270 nan 0.000 0.476 476 E N -0.653 119.567 120.200 0.033 0.000 2.390 476 E HA 0.318 4.668 4.350 -0.000 0.000 0.277 476 E C 0.056 176.694 176.600 0.063 0.000 0.939 476 E CA -1.027 55.436 56.400 0.105 0.000 0.769 476 E CB 1.626 31.433 29.700 0.178 0.000 1.251 476 E HN 0.526 nan 8.360 nan 0.000 0.450 477 G N 1.915 110.775 108.800 0.100 0.000 2.514 477 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.217 477 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.217 477 G C 0.752 175.692 174.900 0.067 0.000 1.198 477 G CA 1.471 46.636 45.100 0.109 0.000 0.780 477 G HN 0.610 nan 8.290 nan 0.000 0.565 478 D N 0.965 121.395 120.400 0.050 0.000 2.104 478 D HA -0.054 4.586 4.640 -0.000 0.000 0.194 478 D C 2.832 179.139 176.300 0.013 0.000 0.994 478 D CA 1.469 55.489 54.000 0.034 0.000 0.830 478 D CB -0.655 40.159 40.800 0.024 0.000 0.959 478 D HN 0.315 nan 8.370 nan 0.000 0.452 479 A N 0.445 123.259 122.820 -0.010 0.000 1.933 479 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 479 A C 2.255 179.761 177.584 -0.129 0.000 1.175 479 A CA 1.335 53.341 52.037 -0.052 0.000 0.628 479 A CB -0.519 18.445 19.000 -0.059 0.000 0.814 479 A HN 0.166 nan 8.150 nan 0.000 0.444 480 M N -0.764 118.738 119.600 -0.163 0.000 2.254 480 M HA -0.079 4.401 4.480 -0.000 0.000 0.265 480 M C 2.505 178.824 176.300 0.031 0.000 1.066 480 M CA 1.172 56.331 55.300 -0.235 0.000 1.123 480 M CB -0.376 32.153 32.600 -0.119 0.000 1.388 480 M HN 0.486 nan 8.290 nan 0.000 0.425 481 A N 0.704 123.556 122.820 0.053 0.000 1.898 481 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 481 A C 2.101 179.736 177.584 0.085 0.000 1.181 481 A CA 1.715 53.805 52.037 0.089 0.000 0.620 481 A CB -0.395 18.653 19.000 0.080 0.000 0.819 481 A HN 0.354 nan 8.150 nan 0.000 0.442 482 K N -0.641 119.793 120.400 0.056 0.000 2.062 482 K HA -0.004 4.315 4.320 -0.000 0.000 0.205 482 K C 2.072 178.721 176.600 0.081 0.000 1.051 482 K CA 1.020 57.342 56.287 0.058 0.000 0.941 482 K CB -0.461 32.062 32.500 0.038 0.000 0.719 482 K HN 0.438 nan 8.250 nan 0.000 0.440 483 G N 1.161 110.010 108.800 0.082 0.000 2.442 483 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.219 483 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.219 483 G C 1.384 176.435 174.900 0.252 0.000 1.141 483 G CA 0.641 45.847 45.100 0.176 0.000 0.763 483 G HN 0.153 nan 8.290 nan 0.000 0.554 484 L N 0.513 121.881 121.223 0.242 0.000 2.056 484 L HA 0.060 4.400 4.340 -0.000 0.000 0.207 484 L C 2.580 179.544 176.870 0.157 0.000 1.078 484 L CA 1.746 56.691 54.840 0.175 0.000 0.749 484 L CB -0.432 41.708 42.059 0.135 0.000 0.901 484 L HN 0.096 nan 8.230 nan 0.000 0.433 485 E N -0.342 119.938 120.200 0.133 0.000 2.077 485 E HA -0.237 4.113 4.350 -0.000 0.000 0.193 485 E C 2.152 178.816 176.600 0.106 0.000 0.989 485 E CA 1.261 57.730 56.400 0.115 0.000 0.800 485 E CB -0.259 29.494 29.700 0.088 0.000 0.746 485 E HN 0.669 nan 8.360 nan 0.000 0.452 486 Q N 0.260 120.119 119.800 0.099 0.000 2.084 486 Q HA -0.078 4.262 4.340 -0.000 0.000 0.202 486 Q C 2.468 178.520 176.000 0.087 0.000 0.978 486 Q CA 0.914 56.764 55.803 0.078 0.000 0.844 486 Q CB -0.151 28.627 28.738 0.066 0.000 0.898 486 Q HN 0.254 nan 8.270 nan 0.000 0.426 487 L N 0.594 121.891 121.223 0.124 0.000 2.083 487 L HA -0.209 4.131 4.340 -0.000 0.000 0.209 487 L C 2.288 179.248 176.870 0.150 0.000 1.083 487 L CA 1.181 56.107 54.840 0.143 0.000 0.752 487 L CB -0.311 41.865 42.059 0.194 0.000 0.899 487 L HN 0.175 nan 8.230 nan 0.000 0.433 488 K N -0.426 120.081 120.400 0.179 0.000 2.057 488 K HA -0.143 4.177 4.320 -0.000 0.000 0.207 488 K C 2.029 178.655 176.600 0.044 0.000 1.049 488 K CA 1.256 57.612 56.287 0.116 0.000 0.931 488 K CB -0.199 32.388 32.500 0.145 0.000 0.714 488 K HN 0.127 nan 8.250 nan 0.000 0.440 489 V N 1.838 121.782 119.914 0.051 0.000 2.307 489 V HA -0.231 3.889 4.120 -0.000 0.000 0.245 489 V C 2.182 178.284 176.094 0.014 0.000 1.045 489 V CA 1.607 63.923 62.300 0.027 0.000 1.024 489 V CB -0.406 31.435 31.823 0.030 0.000 0.651 489 V HN 0.271 nan 8.190 nan 0.000 0.449 490 I N -0.188 120.395 120.570 0.023 0.000 2.286 490 I HA -0.236 3.934 4.170 -0.000 0.000 0.248 490 I C 2.722 178.839 176.117 -0.000 0.000 1.115 490 I CA 1.578 62.886 61.300 0.014 0.000 1.392 490 I CB -0.490 37.522 38.000 0.021 0.000 1.065 490 I HN 0.228 nan 8.210 nan 0.000 0.418 491 R N 0.975 121.468 120.500 -0.011 0.000 2.148 491 R HA -0.153 4.187 4.340 -0.000 0.000 0.227 491 R C 1.953 178.218 176.300 -0.059 0.000 1.103 491 R CA 1.174 57.245 56.100 -0.049 0.000 0.983 491 R CB 0.054 30.285 30.300 -0.114 0.000 0.874 491 R HN 0.319 nan 8.270 nan 0.000 0.451 492 E N 0.527 120.700 120.200 -0.045 0.000 2.112 492 E HA -0.117 4.233 4.350 -0.000 0.000 0.190 492 E C 2.049 178.619 176.600 -0.049 0.000 0.979 492 E CA 0.832 57.203 56.400 -0.048 0.000 0.814 492 E CB -0.055 29.626 29.700 -0.032 0.000 0.762 492 E HN 0.370 nan 8.360 nan 0.000 0.460 493 R N 0.439 120.919 120.500 -0.033 0.000 2.096 493 R HA -0.105 4.235 4.340 -0.000 0.000 0.235 493 R C 2.352 178.623 176.300 -0.048 0.000 1.127 493 R CA 0.743 56.824 56.100 -0.031 0.000 0.968 493 R CB -0.331 29.963 30.300 -0.010 0.000 0.861 493 R HN 0.053 nan 8.270 nan 0.000 0.440 494 L N 1.619 122.815 121.223 -0.045 0.000 2.201 494 L HA -0.111 4.229 4.340 -0.000 0.000 0.212 494 L C 1.390 178.158 176.870 -0.168 0.000 1.105 494 L CA 1.755 56.561 54.840 -0.057 0.000 0.775 494 L CB -0.152 41.906 42.059 -0.003 0.000 0.913 494 L HN -0.033 nan 8.230 nan 0.000 0.440 495 K N -0.755 119.556 120.400 -0.149 0.000 2.442 495 K HA -0.104 4.216 4.320 -0.000 0.000 0.198 495 K C 0.695 177.162 176.600 -0.222 0.000 1.042 495 K CA 1.013 57.187 56.287 -0.189 0.000 0.958 495 K CB -0.144 32.279 32.500 -0.129 0.000 0.766 495 K HN 0.268 nan 8.250 nan 0.000 0.474 496 N N 0.164 118.752 118.700 -0.187 0.000 2.433 496 N HA 0.142 4.882 4.740 -0.000 0.000 0.270 496 N C -1.303 174.110 175.510 -0.162 0.000 1.354 496 N CA -0.251 52.699 53.050 -0.166 0.000 0.889 496 N CB 0.698 39.125 38.487 -0.099 0.000 1.285 496 N HN 0.062 nan 8.380 nan 0.000 0.503 497 A N 0.781 123.448 122.820 -0.255 0.000 2.322 497 A HA 0.602 4.922 4.320 -0.000 0.000 0.269 497 A C 0.323 177.841 177.584 -0.110 0.000 1.094 497 A CA -0.570 51.381 52.037 -0.144 0.000 0.807 497 A CB 0.421 19.384 19.000 -0.063 0.000 1.047 497 A HN 0.564 nan 8.150 nan 0.000 0.487 498 R N 0.711 121.275 120.500 0.107 0.000 2.598 498 R HA 0.724 5.064 4.340 -0.000 0.000 0.279 498 R C -1.334 175.157 176.300 0.319 0.000 0.984 498 R CA -0.746 55.446 56.100 0.153 0.000 0.999 498 R CB 0.940 31.289 30.300 0.082 0.000 1.114 498 R HN 0.467 nan 8.270 nan 0.000 0.493 499 L N 2.636 124.027 121.223 0.280 0.000 2.295 499 L HA 0.316 4.656 4.340 -0.000 0.000 0.281 499 L C -0.431 176.496 176.870 0.095 0.000 1.018 499 L CA -0.082 54.882 54.840 0.207 0.000 0.841 499 L CB 1.394 43.593 42.059 0.234 0.000 1.218 499 L HN 0.738 nan 8.230 nan 0.000 0.424 500 D N 1.561 121.995 120.400 0.056 0.000 2.347 500 D HA -0.002 4.638 4.640 -0.000 0.000 0.213 500 D C -0.265 176.044 176.300 0.015 0.000 0.985 500 D CA 0.755 54.775 54.000 0.033 0.000 0.879 500 D CB 0.299 41.114 40.800 0.025 0.000 0.919 500 D HN 0.528 nan 8.370 nan 0.000 0.526 501 D N -0.501 119.901 120.400 0.002 0.000 2.381 501 D HA 0.090 4.730 4.640 -0.000 0.000 0.235 501 D C 0.363 176.659 176.300 -0.007 0.000 1.068 501 D CA -0.134 53.861 54.000 -0.009 0.000 0.832 501 D CB 1.529 42.313 40.800 -0.026 0.000 1.101 501 D HN -0.243 nan 8.370 nan 0.000 0.515 502 T N 1.216 115.770 114.554 0.001 0.000 3.069 502 T HA 0.097 4.447 4.350 -0.000 0.000 0.252 502 T C 0.749 175.447 174.700 -0.003 0.000 1.053 502 T CA 0.194 62.297 62.100 0.005 0.000 0.964 502 T CB -0.079 68.797 68.868 0.014 0.000 1.005 502 T HN 0.444 nan 8.240 nan 0.000 0.532 503 S N 0.799 116.495 115.700 -0.007 0.000 2.598 503 S HA 0.212 4.682 4.470 -0.000 0.000 0.256 503 S C 1.326 175.916 174.600 -0.016 0.000 1.350 503 S CA 0.151 58.348 58.200 -0.006 0.000 0.984 503 S CB 0.970 64.170 63.200 0.001 0.000 0.930 503 S HN 0.420 nan 8.310 nan 0.000 0.577 504 S N -1.690 114.003 115.700 -0.012 0.000 2.593 504 S HA 0.236 4.706 4.470 -0.000 0.000 0.235 504 S C 0.073 174.661 174.600 -0.021 0.000 1.059 504 S CA -0.229 57.956 58.200 -0.025 0.000 0.953 504 S CB -0.366 62.824 63.200 -0.017 0.000 0.897 504 S HN 0.721 nan 8.310 nan 0.000 0.507 505 E N 1.767 121.974 120.200 0.013 0.000 1.996 505 E HA 0.427 4.777 4.350 -0.000 0.000 0.280 505 E C -0.781 175.898 176.600 0.131 0.000 1.092 505 E CA -0.771 55.661 56.400 0.054 0.000 0.862 505 E CB -0.756 28.975 29.700 0.052 0.000 1.066 505 E HN 0.270 nan 8.360 nan 0.000 0.396 506 F N 3.472 123.385 119.950 -0.063 0.000 2.773 506 F HA -0.290 4.237 4.527 -0.000 0.000 0.251 506 F C -0.325 175.433 175.800 -0.069 0.000 1.020 506 F CA 0.443 58.403 58.000 -0.066 0.000 0.924 506 F CB -0.420 38.550 39.000 -0.048 0.000 0.919 506 F HN 0.455 nan 8.300 nan 0.000 0.846 507 N N 1.435 120.089 118.700 -0.076 0.000 2.521 507 N HA 0.142 4.882 4.740 -0.000 0.000 0.236 507 N C 1.193 176.604 175.510 -0.165 0.000 1.067 507 N CA 0.482 53.485 53.050 -0.079 0.000 0.939 507 N CB 0.868 39.302 38.487 -0.087 0.000 1.201 507 N HN 0.400 nan 8.380 nan 0.000 0.511 508 T N 0.517 115.010 114.554 -0.103 0.000 3.023 508 T HA -0.133 4.217 4.350 -0.000 0.000 0.266 508 T C 1.454 176.049 174.700 -0.174 0.000 1.093 508 T CA 0.756 62.767 62.100 -0.147 0.000 1.129 508 T CB 0.061 68.909 68.868 -0.035 0.000 0.899 508 T HN 0.373 nan 8.240 nan 0.000 0.491 509 Q N 1.848 121.563 119.800 -0.143 0.000 2.084 509 Q HA -0.018 4.322 4.340 -0.000 0.000 0.202 509 Q C 2.441 178.284 176.000 -0.263 0.000 0.978 509 Q CA 1.615 57.319 55.803 -0.164 0.000 0.844 509 Q CB -0.409 28.265 28.738 -0.107 0.000 0.898 509 Q HN 0.647 nan 8.270 nan 0.000 0.426 510 R N -0.827 119.513 120.500 -0.266 0.000 2.081 510 R HA -0.107 4.233 4.340 -0.000 0.000 0.235 510 R C 1.952 177.957 176.300 -0.492 0.000 1.131 510 R CA 1.502 57.390 56.100 -0.353 0.000 0.960 510 R CB -0.238 29.912 30.300 -0.251 0.000 0.856 510 R HN 0.247 nan 8.270 nan 0.000 0.436 511 V N 1.375 121.006 119.914 -0.472 0.000 2.295 511 V HA -0.230 3.889 4.120 -0.000 0.000 0.246 511 V C 1.975 177.745 176.094 -0.540 0.000 1.049 511 V CA 2.189 64.104 62.300 -0.641 0.000 1.024 511 V CB -0.469 31.034 31.823 -0.534 0.000 0.648 511 V HN 0.436 nan 8.190 nan 0.000 0.447 512 E N -1.071 118.906 120.200 -0.371 0.000 2.204 512 E HA -0.182 4.168 4.350 -0.000 0.000 0.194 512 E C 2.205 178.601 176.600 -0.341 0.000 0.989 512 E CA 1.408 57.646 56.400 -0.270 0.000 0.824 512 E CB -0.261 29.330 29.700 -0.181 0.000 0.756 512 E HN 0.604 nan 8.360 nan 0.000 0.477 513 C N 0.447 119.415 119.300 -0.553 0.000 2.446 513 C HA -0.056 4.404 4.460 -0.000 0.000 0.277 513 C C 2.505 176.929 174.990 -0.942 0.000 1.275 513 C CA 0.345 58.788 59.018 -0.958 0.000 1.727 513 C CB -0.772 26.018 27.740 -1.583 0.000 2.010 513 C HN 0.409 nan 8.230 nan 0.000 0.486 514 L N 0.606 121.353 121.223 -0.794 0.000 2.131 514 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 514 L C 2.575 179.403 176.870 -0.071 0.000 1.092 514 L CA 1.525 56.143 54.840 -0.370 0.000 0.759 514 L CB -0.686 41.173 42.059 -0.332 0.000 0.903 514 L HN 0.456 nan 8.230 nan 0.000 0.435 515 E N -0.171 119.959 120.200 -0.117 0.000 2.106 515 E HA -0.240 4.110 4.350 -0.000 0.000 0.192 515 E C 2.097 178.715 176.600 0.030 0.000 0.984 515 E CA 0.813 57.232 56.400 0.032 0.000 0.806 515 E CB -0.108 29.595 29.700 0.005 0.000 0.750 515 E HN 0.242 nan 8.360 nan 0.000 0.458 516 L N 1.799 123.015 121.223 -0.013 0.000 2.079 516 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 516 L C 1.429 178.367 176.870 0.113 0.000 1.081 516 L CA 1.850 56.719 54.840 0.049 0.000 0.752 516 L CB -0.373 41.724 42.059 0.065 0.000 0.896 516 L HN -0.011 nan 8.230 nan 0.000 0.433 517 D N -0.357 120.151 120.400 0.180 0.000 2.123 517 D HA -0.185 4.455 4.640 -0.000 0.000 0.196 517 D C 1.813 178.178 176.300 0.108 0.000 0.992 517 D CA 1.296 55.407 54.000 0.184 0.000 0.833 517 D CB -0.274 40.680 40.800 0.257 0.000 0.954 517 D HN 0.445 nan 8.370 nan 0.000 0.455 518 N N 0.314 119.073 118.700 0.098 0.000 2.270 518 N HA -0.028 4.712 4.740 -0.000 0.000 0.181 518 N C 2.126 177.663 175.510 0.046 0.000 1.016 518 N CA 0.181 53.272 53.050 0.070 0.000 0.870 518 N CB -0.153 38.379 38.487 0.075 0.000 0.979 518 N HN 0.262 nan 8.380 nan 0.000 0.431 519 L N 0.200 121.447 121.223 0.039 0.000 2.046 519 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 519 L C 2.409 179.277 176.870 -0.003 0.000 1.077 519 L CA 0.922 55.768 54.840 0.009 0.000 0.747 519 L CB -0.280 41.779 42.059 0.000 0.000 0.896 519 L HN 0.123 nan 8.230 nan 0.000 0.432 520 M N -0.107 119.504 119.600 0.019 0.000 2.067 520 M HA -0.182 4.298 4.480 -0.000 0.000 0.260 520 M C 2.167 178.479 176.300 0.019 0.000 1.069 520 M CA 1.777 57.085 55.300 0.014 0.000 1.117 520 M CB -0.364 32.250 32.600 0.023 0.000 1.334 520 M HN 0.045 nan 8.290 nan 0.000 0.407 521 E N -0.631 119.582 120.200 0.022 0.000 2.077 521 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 521 E C 2.045 178.647 176.600 0.002 0.000 0.989 521 E CA 1.980 58.394 56.400 0.023 0.000 0.800 521 E CB -0.771 28.949 29.700 0.033 0.000 0.746 521 E HN 0.568 nan 8.360 nan 0.000 0.452 522 T N 1.210 115.766 114.554 0.004 0.000 2.777 522 T HA -0.058 4.292 4.350 -0.000 0.000 0.266 522 T C 1.977 176.659 174.700 -0.031 0.000 1.040 522 T CA 1.361 63.466 62.100 0.008 0.000 1.141 522 T CB -0.171 68.735 68.868 0.062 0.000 0.868 522 T HN 0.264 nan 8.240 nan 0.000 0.444 523 A N 0.411 123.189 122.820 -0.071 0.000 1.902 523 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 523 A C 2.105 179.575 177.584 -0.189 0.000 1.181 523 A CA 1.391 53.324 52.037 -0.173 0.000 0.623 523 A CB -0.980 17.918 19.000 -0.170 0.000 0.818 523 A HN 0.560 nan 8.150 nan 0.000 0.443 524 Y N 0.470 120.639 120.300 -0.218 0.000 2.163 524 Y HA -0.047 4.503 4.550 -0.000 0.000 0.288 524 Y C 2.701 178.392 175.900 -0.347 0.000 1.136 524 Y CA 1.241 59.206 58.100 -0.225 0.000 1.147 524 Y CB -0.481 37.892 38.460 -0.144 0.000 0.987 524 Y HN 0.306 nan 8.280 nan 0.000 0.509 525 A N -0.904 121.693 122.820 -0.372 0.000 1.940 525 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 525 A C 2.217 179.542 177.584 -0.432 0.000 1.176 525 A CA 2.300 53.893 52.037 -0.741 0.000 0.631 525 A CB -1.299 17.319 19.000 -0.636 0.000 0.814 525 A HN 0.504 nan 8.150 nan 0.000 0.446 526 T N 0.156 114.552 114.554 -0.264 0.000 2.708 526 T HA 0.007 4.357 4.350 -0.000 0.000 0.266 526 T C 2.258 176.760 174.700 -0.330 0.000 1.037 526 T CA 1.567 63.576 62.100 -0.151 0.000 1.146 526 T CB -0.453 68.411 68.868 -0.007 0.000 0.865 526 T HN 0.604 nan 8.240 nan 0.000 0.435 527 A N 1.117 123.574 122.820 -0.605 0.000 1.858 527 A HA -0.066 4.253 4.320 -0.000 0.000 0.216 527 A C 2.588 180.029 177.584 -0.239 0.000 1.190 527 A CA 1.543 53.132 52.037 -0.748 0.000 0.617 527 A CB -1.142 17.432 19.000 -0.710 0.000 0.827 527 A HN 0.335 nan 8.150 nan 0.000 0.443 528 V N 0.168 119.881 119.914 -0.334 0.000 2.392 528 V HA -0.247 3.873 4.120 -0.000 0.000 0.249 528 V C 2.771 178.877 176.094 0.021 0.000 1.059 528 V CA 2.398 64.603 62.300 -0.159 0.000 1.051 528 V CB -0.855 30.855 31.823 -0.189 0.000 0.658 528 V HN 0.566 nan 8.190 nan 0.000 0.455 529 S N 0.036 115.729 115.700 -0.013 0.000 2.371 529 S HA -0.082 4.388 4.470 -0.000 0.000 0.224 529 S C 2.240 176.899 174.600 0.098 0.000 1.029 529 S CA 1.221 59.472 58.200 0.086 0.000 0.978 529 S CB -0.432 62.787 63.200 0.032 0.000 0.833 529 S HN 0.650 nan 8.310 nan 0.000 0.466 530 A N 2.937 125.817 122.820 0.100 0.000 1.877 530 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 530 A C 1.942 179.672 177.584 0.244 0.000 1.186 530 A CA 1.472 53.637 52.037 0.213 0.000 0.620 530 A CB -0.758 18.544 19.000 0.504 0.000 0.822 530 A HN 0.471 nan 8.150 nan 0.000 0.443 531 N N -1.294 117.563 118.700 0.263 0.000 2.223 531 N HA -0.151 4.589 4.740 -0.000 0.000 0.185 531 N C 1.512 177.123 175.510 0.169 0.000 1.016 531 N CA 1.548 54.728 53.050 0.216 0.000 0.863 531 N CB -0.368 38.246 38.487 0.211 0.000 0.983 531 N HN 0.541 nan 8.380 nan 0.000 0.429 532 F N 2.081 122.040 119.950 0.015 0.000 2.060 532 F HA -0.019 4.508 4.527 -0.000 0.000 0.295 532 F C 1.276 176.976 175.800 -0.166 0.000 1.120 532 F CA 0.849 58.863 58.000 0.024 0.000 1.205 532 F CB -0.309 38.743 39.000 0.087 0.000 0.986 532 F HN -0.211 nan 8.300 nan 0.000 0.470 533 R N 1.468 121.610 120.500 -0.595 0.000 2.413 533 R HA 0.058 4.398 4.340 -0.000 0.000 0.333 533 R C -0.484 175.174 176.300 -1.071 0.000 1.074 533 R CA 0.559 55.771 56.100 -1.480 0.000 0.982 533 R CB -0.358 29.289 30.300 -1.089 0.000 0.981 533 R HN 0.325 nan 8.270 nan 0.000 0.452 534 T N 1.940 115.716 114.554 -1.297 0.000 3.855 534 T HA 0.207 4.556 4.350 -0.000 0.000 0.306 534 T C -0.283 173.868 174.700 -0.915 0.000 1.575 534 T CA -0.557 60.910 62.100 -1.055 0.000 1.214 534 T CB -0.374 67.743 68.868 -1.252 0.000 1.262 534 T HN 0.783 nan 8.240 nan 0.000 0.883 535 E N -0.594 119.288 120.200 -0.530 0.000 2.442 535 E HA 0.582 4.932 4.350 -0.000 0.000 0.278 535 E C -1.571 175.018 176.600 -0.019 0.000 1.082 535 E CA -1.258 55.032 56.400 -0.183 0.000 0.861 535 E CB 0.556 30.115 29.700 -0.235 0.000 1.462 535 E HN 0.008 nan 8.360 nan 0.000 0.458 536 S N 0.044 115.764 115.700 0.033 0.000 2.669 536 S HA 0.532 5.002 4.470 -0.000 0.000 0.315 536 S C -1.043 173.596 174.600 0.066 0.000 1.106 536 S CA -0.689 57.526 58.200 0.025 0.000 1.107 536 S CB 0.668 63.867 63.200 -0.001 0.000 0.990 536 S HN 0.439 nan 8.310 nan 0.000 0.471 537 R N 2.254 122.814 120.500 0.101 0.000 2.533 537 R HA 0.570 4.910 4.340 -0.000 0.000 0.288 537 R C 0.719 177.089 176.300 0.116 0.000 1.039 537 R CA 0.324 56.488 56.100 0.106 0.000 0.909 537 R CB 0.953 31.314 30.300 0.102 0.000 1.195 537 R HN 0.842 nan 8.270 nan 0.000 0.438 538 G N 2.569 111.430 108.800 0.103 0.000 2.591 538 G HA2 -0.453 3.507 3.960 -0.000 0.000 0.298 538 G HA3 -0.453 3.507 3.960 -0.000 0.000 0.298 538 G C 0.685 175.637 174.900 0.085 0.000 1.195 538 G CA 0.518 45.676 45.100 0.098 0.000 0.989 538 G HN 0.848 nan 8.290 nan 0.000 0.551 539 A N -0.391 122.497 122.820 0.113 0.000 2.167 539 A HA 0.347 4.667 4.320 -0.000 0.000 0.214 539 A C 1.129 178.794 177.584 0.135 0.000 1.151 539 A CA 1.812 53.922 52.037 0.122 0.000 0.735 539 A CB -0.292 18.826 19.000 0.197 0.000 0.802 539 A HN 1.395 nan 8.150 nan 0.000 0.467 540 H N 0.317 119.414 119.070 0.045 0.000 2.761 540 H HA 0.556 5.112 4.556 -0.000 0.000 0.284 540 H C -0.627 174.683 175.328 -0.030 0.000 1.105 540 H CA 0.088 56.153 56.048 0.027 0.000 1.352 540 H CB 0.391 30.166 29.762 0.023 0.000 1.423 540 H HN 0.060 nan 8.280 nan 0.000 0.464 541 S N 5.413 120.861 115.700 -0.420 0.000 2.605 541 S HA 0.530 5.000 4.470 -0.000 0.000 0.308 541 S C -0.812 173.518 174.600 -0.450 0.000 1.113 541 S CA -0.845 57.135 58.200 -0.366 0.000 1.049 541 S CB 0.288 63.314 63.200 -0.290 0.000 1.001 541 S HN 0.763 nan 8.310 nan 0.000 0.480 542 R N 3.050 123.335 120.500 -0.359 0.000 2.562 542 R HA 0.421 4.761 4.340 -0.000 0.000 0.298 542 R C -0.137 176.064 176.300 -0.165 0.000 0.961 542 R CA -0.613 55.340 56.100 -0.246 0.000 0.881 542 R CB 0.877 31.137 30.300 -0.067 0.000 1.159 542 R HN 0.567 nan 8.270 nan 0.000 0.450 543 F N 1.163 121.123 119.950 0.017 0.000 2.259 543 F HA -0.134 4.393 4.527 -0.000 0.000 0.298 543 F C 2.055 177.816 175.800 -0.064 0.000 1.088 543 F CA 1.159 59.145 58.000 -0.023 0.000 1.358 543 F CB -0.034 38.932 39.000 -0.056 0.000 1.040 543 F HN 0.592 nan 8.300 nan 0.000 0.505 544 D N -1.209 119.244 120.400 0.089 0.000 2.347 544 D HA -0.130 4.510 4.640 -0.000 0.000 0.215 544 D C 0.021 176.009 176.300 -0.519 0.000 0.976 544 D CA 0.652 54.551 54.000 -0.168 0.000 0.884 544 D CB -0.553 40.167 40.800 -0.133 0.000 0.915 544 D HN 0.234 nan 8.370 nan 0.000 0.526 545 F N 0.196 120.160 119.950 0.023 0.000 2.872 545 F HA 0.281 4.808 4.527 -0.000 0.000 0.363 545 F C -1.946 173.848 175.800 -0.009 0.000 1.357 545 F CA -1.747 56.258 58.000 0.009 0.000 1.174 545 F CB 2.047 41.039 39.000 -0.013 0.000 1.860 545 F HN -0.226 nan 8.300 nan 0.000 0.615 546 P HA -0.004 nan 4.420 nan 0.000 0.233 546 P C -0.207 177.146 177.300 0.088 0.000 1.167 546 P CA 0.878 64.027 63.100 0.081 0.000 0.770 546 P CB 0.532 32.283 31.700 0.085 0.000 0.837 547 D N 0.137 120.605 120.400 0.114 0.000 2.277 547 D HA 0.222 4.862 4.640 -0.000 0.000 0.250 547 D C 0.149 176.514 176.300 0.109 0.000 1.032 547 D CA -0.523 53.539 54.000 0.105 0.000 0.947 547 D CB 1.347 42.210 40.800 0.105 0.000 1.159 547 D HN -0.155 nan 8.370 nan 0.000 0.460 548 R N 1.035 121.593 120.500 0.097 0.000 2.265 548 R HA 0.132 4.472 4.340 -0.000 0.000 0.314 548 R C -0.873 175.496 176.300 0.115 0.000 1.053 548 R CA -0.349 55.812 56.100 0.102 0.000 0.931 548 R CB 0.554 30.913 30.300 0.098 0.000 1.024 548 R HN 0.246 nan 8.270 nan 0.000 0.457 549 D N 3.076 123.567 120.400 0.151 0.000 2.472 549 D HA 0.107 4.747 4.640 -0.000 0.000 0.234 549 D C -0.395 176.003 176.300 0.162 0.000 1.088 549 D CA -0.402 53.705 54.000 0.177 0.000 0.882 549 D CB 1.199 42.168 40.800 0.282 0.000 1.037 549 D HN 0.449 nan 8.370 nan 0.000 0.520 550 D N 2.115 122.569 120.400 0.091 0.000 2.347 550 D HA -0.039 4.601 4.640 -0.000 0.000 0.213 550 D C 1.330 177.646 176.300 0.027 0.000 0.985 550 D CA 0.516 54.550 54.000 0.056 0.000 0.879 550 D CB 0.505 41.313 40.800 0.014 0.000 0.919 550 D HN 0.591 nan 8.370 nan 0.000 0.526 551 E N 0.002 120.216 120.200 0.024 0.000 2.122 551 E HA 0.019 4.369 4.350 -0.000 0.000 0.190 551 E C 1.287 177.847 176.600 -0.067 0.000 0.977 551 E CA 0.483 56.875 56.400 -0.014 0.000 0.820 551 E CB 0.257 29.954 29.700 -0.004 0.000 0.770 551 E HN 0.190 nan 8.360 nan 0.000 0.462 552 N N -1.221 117.427 118.700 -0.087 0.000 2.407 552 N HA 0.016 4.756 4.740 -0.000 0.000 0.182 552 N C 0.302 175.479 175.510 -0.555 0.000 1.079 552 N CA 0.388 53.241 53.050 -0.327 0.000 0.882 552 N CB 0.410 38.682 38.487 -0.358 0.000 1.106 552 N HN 0.165 nan 8.380 nan 0.000 0.461 553 W N 0.829 122.099 121.300 -0.050 0.000 2.407 553 W HA 0.378 5.038 4.660 -0.000 0.000 0.370 553 W C -0.012 176.485 176.519 -0.036 0.000 0.928 553 W CA -0.488 56.824 57.345 -0.056 0.000 2.005 553 W CB 0.200 29.614 29.460 -0.076 0.000 1.171 553 W HN -0.161 nan 8.180 nan 0.000 0.572 554 L N 3.363 124.650 121.223 0.107 0.000 2.437 554 L HA 0.313 4.652 4.340 -0.000 0.000 0.243 554 L C 0.297 177.178 176.870 0.019 0.000 1.346 554 L CA -0.242 54.637 54.840 0.065 0.000 1.233 554 L CB -1.387 40.693 42.059 0.035 0.000 1.436 554 L HN 0.190 nan 8.230 nan 0.000 0.416 555 C N -1.286 118.027 119.300 0.021 0.000 3.253 555 C HA 0.497 4.957 4.460 -0.000 0.000 0.362 555 C C -0.316 174.630 174.990 -0.073 0.000 1.487 555 C CA -1.155 57.841 59.018 -0.038 0.000 1.179 555 C CB 1.388 29.150 27.740 0.037 0.000 1.660 555 C HN 0.454 nan 8.230 nan 0.000 0.438 556 H N 1.039 120.190 119.070 0.134 0.000 2.483 556 H HA 0.639 5.195 4.556 -0.000 0.000 0.338 556 H C 0.287 175.733 175.328 0.197 0.000 1.152 556 H CA 0.618 56.746 56.048 0.134 0.000 1.264 556 H CB 1.904 31.712 29.762 0.077 0.000 1.510 556 H HN 0.943 nan 8.280 nan 0.000 0.530 557 S N 1.927 117.828 115.700 0.335 0.000 2.578 557 S HA 0.465 4.935 4.470 -0.000 0.000 0.283 557 S C -0.463 174.255 174.600 0.195 0.000 1.195 557 S CA -0.839 57.566 58.200 0.342 0.000 1.050 557 S CB 1.310 64.731 63.200 0.368 0.000 1.012 557 S HN 0.358 nan 8.310 nan 0.000 0.511 558 L N 2.865 124.159 121.223 0.119 0.000 2.406 558 L HA 0.476 4.816 4.340 -0.000 0.000 0.272 558 L C -1.572 175.306 176.870 0.013 0.000 0.980 558 L CA -0.737 54.136 54.840 0.054 0.000 0.831 558 L CB 1.681 43.755 42.059 0.025 0.000 1.253 558 L HN 0.867 nan 8.230 nan 0.000 0.406 559 Y N 5.762 126.021 120.300 -0.068 0.000 2.425 559 Y HA 0.540 5.089 4.550 -0.000 0.000 0.347 559 Y C -0.881 174.986 175.900 -0.054 0.000 0.976 559 Y CA -0.515 57.539 58.100 -0.077 0.000 1.190 559 Y CB 0.623 39.054 38.460 -0.047 0.000 1.136 559 Y HN 0.516 nan 8.280 nan 0.000 0.517 560 L N 10.071 130.971 121.223 -0.539 0.000 2.283 560 L HA 0.260 4.600 4.340 -0.000 0.000 0.287 560 L C -1.697 174.786 176.870 -0.645 0.000 1.073 560 L CA -1.758 52.821 54.840 -0.435 0.000 0.822 560 L CB 0.984 42.876 42.059 -0.278 0.000 1.186 560 L HN 0.563 nan 8.230 nan 0.000 0.436 561 P HA -0.133 nan 4.420 nan 0.000 0.216 561 P C 1.088 178.301 177.300 -0.144 0.000 1.153 561 P CA 1.101 64.080 63.100 -0.202 0.000 0.848 561 P CB 0.410 32.105 31.700 -0.008 0.000 0.787 562 E N -0.468 119.658 120.200 -0.123 0.000 2.150 562 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 562 E C 1.719 178.268 176.600 -0.085 0.000 0.985 562 E CA 1.649 58.001 56.400 -0.081 0.000 0.814 562 E CB -0.271 29.389 29.700 -0.066 0.000 0.752 562 E HN 0.297 nan 8.360 nan 0.000 0.466 563 S N -0.479 115.145 115.700 -0.127 0.000 2.540 563 S HA 0.097 4.567 4.470 -0.000 0.000 0.218 563 S C 0.192 174.725 174.600 -0.112 0.000 0.977 563 S CA -0.252 57.886 58.200 -0.102 0.000 0.918 563 S CB 0.139 63.278 63.200 -0.101 0.000 0.806 563 S HN 0.165 nan 8.310 nan 0.000 0.496 564 E N 1.576 121.665 120.200 -0.186 0.000 2.328 564 E HA -0.192 4.158 4.350 -0.000 0.000 0.233 564 E C -0.096 176.430 176.600 -0.123 0.000 1.219 564 E CA 0.688 57.000 56.400 -0.147 0.000 0.717 564 E CB -1.979 27.801 29.700 0.134 0.000 1.210 564 E HN 0.843 nan 8.360 nan 0.000 0.381 565 S N -1.303 114.232 115.700 -0.275 0.000 2.745 565 S HA 0.803 5.272 4.470 -0.000 0.000 0.306 565 S C -0.123 174.305 174.600 -0.288 0.000 1.137 565 S CA -1.206 56.882 58.200 -0.188 0.000 0.900 565 S CB 2.119 65.241 63.200 -0.129 0.000 1.176 565 S HN 0.079 nan 8.310 nan 0.000 0.520 566 M N 1.220 120.612 119.600 -0.347 0.000 2.578 566 M HA 0.683 5.163 4.480 -0.000 0.000 0.321 566 M C 0.058 176.049 176.300 -0.515 0.000 1.182 566 M CA -0.288 54.654 55.300 -0.598 0.000 0.965 566 M CB 1.522 33.303 32.600 -1.366 0.000 1.694 566 M HN 1.039 nan 8.290 nan 0.000 0.461 567 T N 0.977 115.315 114.554 -0.361 0.000 2.618 567 T HA 0.705 5.055 4.350 -0.000 0.000 0.293 567 T C -1.425 173.319 174.700 0.074 0.000 1.093 567 T CA -0.668 61.373 62.100 -0.099 0.000 1.061 567 T CB 1.884 70.714 68.868 -0.064 0.000 1.498 567 T HN 0.705 nan 8.240 nan 0.000 0.494 568 R N 0.664 121.226 120.500 0.104 0.000 2.725 568 R HA 0.678 5.018 4.340 -0.000 0.000 0.277 568 R C -0.865 175.495 176.300 0.099 0.000 0.987 568 R CA -0.952 55.238 56.100 0.150 0.000 0.901 568 R CB 2.245 32.617 30.300 0.121 0.000 1.207 568 R HN 0.475 nan 8.270 nan 0.000 0.463 569 R N 0.336 120.922 120.500 0.143 0.000 2.803 569 R HA 0.399 4.739 4.340 -0.000 0.000 0.276 569 R C -0.560 175.844 176.300 0.173 0.000 0.978 569 R CA -0.750 55.428 56.100 0.130 0.000 0.939 569 R CB 2.477 32.843 30.300 0.111 0.000 1.179 569 R HN 0.529 nan 8.270 nan 0.000 0.472 570 S N 0.908 116.684 115.700 0.126 0.000 2.562 570 S HA 0.097 4.567 4.470 -0.000 0.000 0.281 570 S C 0.070 174.787 174.600 0.195 0.000 1.333 570 S CA -0.541 57.726 58.200 0.112 0.000 1.052 570 S CB 0.927 64.167 63.200 0.066 0.000 0.884 570 S HN 0.222 nan 8.310 nan 0.000 0.506 571 V N 4.425 124.400 119.914 0.103 0.000 2.461 571 V HA 0.171 4.291 4.120 -0.000 0.000 0.275 571 V C 0.720 176.882 176.094 0.114 0.000 1.047 571 V CA -0.820 61.541 62.300 0.102 0.000 0.955 571 V CB 1.007 32.803 31.823 -0.045 0.000 0.988 571 V HN 0.809 nan 8.190 nan 0.000 0.471 572 N N 5.544 124.330 118.700 0.142 0.000 2.475 572 N HA 0.241 4.981 4.740 -0.000 0.000 0.267 572 N C -0.347 175.227 175.510 0.107 0.000 1.169 572 N CA 0.073 53.186 53.050 0.104 0.000 0.947 572 N CB 0.830 39.372 38.487 0.092 0.000 1.061 572 N HN 0.668 nan 8.380 nan 0.000 0.466 573 M N 3.002 122.656 119.600 0.090 0.000 3.189 573 M HA 0.196 4.675 4.480 -0.000 0.000 0.365 573 M C -0.885 175.461 176.300 0.076 0.000 1.447 573 M CA -0.069 55.290 55.300 0.098 0.000 0.739 573 M CB 0.566 33.220 32.600 0.091 0.000 1.411 573 M HN 0.370 nan 8.290 nan 0.000 0.494 574 E N 1.501 121.746 120.200 0.076 0.000 3.132 574 E HA 0.294 4.644 4.350 -0.000 0.000 0.241 574 E C -2.512 174.133 176.600 0.075 0.000 1.196 574 E CA -1.603 54.834 56.400 0.061 0.000 0.869 574 E CB 1.568 31.295 29.700 0.045 0.000 1.387 574 E HN 0.121 nan 8.360 nan 0.000 0.393 575 P HA -0.012 nan 4.420 nan 0.000 0.269 575 P C 0.552 177.911 177.300 0.098 0.000 1.217 575 P CA -0.251 62.921 63.100 0.120 0.000 0.783 575 P CB 0.990 32.775 31.700 0.141 0.000 0.898 576 K N 0.857 121.326 120.400 0.115 0.000 2.308 576 K HA 0.183 4.503 4.320 -0.000 0.000 0.197 576 K C 1.488 178.151 176.600 0.104 0.000 1.049 576 K CA 0.959 57.301 56.287 0.092 0.000 0.991 576 K CB -0.071 32.478 32.500 0.082 0.000 0.836 576 K HN 0.397 nan 8.250 nan 0.000 0.500 577 L N 0.614 121.934 121.223 0.161 0.000 2.638 577 L HA 0.197 4.537 4.340 -0.000 0.000 0.232 577 L C 0.698 177.675 176.870 0.179 0.000 1.099 577 L CA -0.171 54.787 54.840 0.196 0.000 0.883 577 L CB 0.233 42.475 42.059 0.306 0.000 1.136 577 L HN 0.051 nan 8.230 nan 0.000 0.492 578 R N -0.979 119.604 120.500 0.138 0.000 2.734 578 R HA 0.548 4.888 4.340 -0.000 0.000 0.271 578 R C -3.100 173.176 176.300 -0.040 0.000 1.021 578 R CA -1.596 54.522 56.100 0.031 0.000 0.893 578 R CB 0.634 30.934 30.300 -0.000 0.000 1.244 578 R HN -0.347 nan 8.270 nan 0.000 0.464 579 P HA 0.109 nan 4.420 nan 0.000 0.269 579 P C -0.684 176.469 177.300 -0.246 0.000 1.215 579 P CA -0.170 62.841 63.100 -0.150 0.000 0.780 579 P CB 0.687 32.285 31.700 -0.170 0.000 0.898 580 A N 2.024 124.761 122.820 -0.139 0.000 2.425 580 A HA 0.303 4.623 4.320 -0.000 0.000 0.242 580 A C -0.427 177.064 177.584 -0.155 0.000 1.077 580 A CA -0.112 51.874 52.037 -0.086 0.000 0.781 580 A CB -0.577 18.442 19.000 0.032 0.000 1.020 580 A HN 0.399 nan 8.150 nan 0.000 0.494 581 F N 3.121 123.156 119.950 0.142 0.000 2.413 581 F HA 0.306 4.833 4.527 -0.000 0.000 0.359 581 F C -1.515 174.387 175.800 0.171 0.000 1.122 581 F CA -1.849 56.259 58.000 0.180 0.000 1.160 581 F CB 0.717 39.867 39.000 0.250 0.000 1.146 581 F HN 0.352 nan 8.300 nan 0.000 0.514 582 P HA 0.128 nan 4.420 nan 0.000 0.271 582 P C -2.668 174.567 177.300 -0.109 0.000 1.216 582 P CA -1.505 61.633 63.100 0.062 0.000 0.776 582 P CB 0.221 31.933 31.700 0.021 0.000 0.881 583 P HA 0.082 nan 4.420 nan 0.000 0.266 583 P C -0.014 176.934 177.300 -0.588 0.000 1.215 583 P CA 0.524 63.104 63.100 -0.867 0.000 0.763 583 P CB 0.188 31.627 31.700 -0.436 0.000 0.806 584 K N 2.349 122.326 120.400 -0.705 0.000 2.409 584 K HA 0.564 4.884 4.320 -0.000 0.000 0.252 584 K C -0.589 175.927 176.600 -0.140 0.000 1.036 584 K CA -1.215 54.923 56.287 -0.249 0.000 0.871 584 K CB 0.905 33.357 32.500 -0.079 0.000 1.374 584 K HN 0.019 nan 8.250 nan 0.000 0.459 585 I N 1.515 122.064 120.570 -0.036 0.000 2.710 585 I HA 0.012 4.181 4.170 -0.000 0.000 0.286 585 I C 0.495 176.641 176.117 0.049 0.000 1.181 585 I CA 0.340 61.649 61.300 0.015 0.000 1.430 585 I CB 0.384 38.394 38.000 0.017 0.000 1.367 585 I HN 0.490 nan 8.210 nan 0.000 0.577 586 R N 5.426 125.966 120.500 0.066 0.000 2.287 586 R HA 0.408 4.747 4.340 -0.000 0.000 0.316 586 R C -1.041 175.234 176.300 -0.042 0.000 1.050 586 R CA -0.324 55.790 56.100 0.022 0.000 0.983 586 R CB 0.485 30.846 30.300 0.101 0.000 1.140 586 R HN 0.809 nan 8.270 nan 0.000 0.528 587 T N 0.063 114.542 114.554 -0.126 0.000 2.907 587 T HA 0.468 4.818 4.350 -0.000 0.000 0.292 587 T C -0.742 173.825 174.700 -0.222 0.000 1.043 587 T CA -0.602 61.455 62.100 -0.072 0.000 1.003 587 T CB 1.354 70.230 68.868 0.014 0.000 1.084 587 T HN 0.321 nan 8.240 nan 0.000 0.483 588 Y N 0.000 120.336 120.300 0.059 0.000 2.660 588 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 588 Y CA 0.000 58.129 58.100 0.048 0.000 1.940 588 Y CB 0.000 38.483 38.460 0.038 0.000 1.050 588 Y HN 0.000 nan 8.280 nan 0.000 0.758