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_I 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 2.307 122.719 120.400 0.019 0.000 2.593 2 K HA 0.486 4.806 4.320 -0.000 0.000 0.208 2 K C -1.321 175.297 176.600 0.029 0.000 1.051 2 K CA -0.061 56.239 56.287 0.020 0.000 1.111 2 K CB 0.348 32.857 32.500 0.015 0.000 0.849 2 K HN 0.674 nan 8.250 nan 0.000 0.479 3 L N 0.988 122.234 121.223 0.039 0.000 2.464 3 L HA 0.439 4.779 4.340 -0.000 0.000 0.266 3 L C -2.685 174.220 176.870 0.058 0.000 0.965 3 L CA -1.675 53.198 54.840 0.055 0.000 0.833 3 L CB 2.083 44.181 42.059 0.066 0.000 1.296 3 L HN -0.081 nan 8.230 nan 0.000 0.405 4 P HA 0.086 nan 4.420 nan 0.000 0.262 4 P C -1.173 176.109 177.300 -0.030 0.000 1.182 4 P CA 0.063 63.167 63.100 0.007 0.000 0.761 4 P CB 0.437 32.144 31.700 0.012 0.000 0.795 5 V N 5.944 125.821 119.914 -0.062 0.000 2.334 5 V HA 0.317 4.437 4.120 -0.000 0.000 0.281 5 V C 0.561 176.501 176.094 -0.257 0.000 1.016 5 V CA -0.449 61.771 62.300 -0.133 0.000 0.832 5 V CB 1.047 32.851 31.823 -0.032 0.000 0.999 5 V HN 0.415 nan 8.190 nan 0.000 0.439 6 R N 3.470 123.716 120.500 -0.423 0.000 2.239 6 R HA 0.415 4.754 4.340 -0.000 0.000 0.332 6 R C -0.222 175.865 176.300 -0.355 0.000 0.988 6 R CA -0.382 55.470 56.100 -0.414 0.000 0.859 6 R CB 1.701 31.681 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 -0.448 0.000 2.216 7 E HA 0.348 4.698 4.350 -0.000 0.000 0.279 7 E C -1.130 175.113 176.600 -0.594 0.000 0.997 7 E CA -0.367 55.819 56.400 -0.357 0.000 0.817 7 E CB 0.722 30.267 29.700 -0.257 0.000 1.096 7 E HN 0.271 nan 8.360 nan 0.000 0.393 8 F N 1.554 121.467 119.950 -0.061 0.000 2.643 8 F HA 0.204 4.731 4.527 -0.000 0.000 0.314 8 F C 0.894 176.677 175.800 -0.029 0.000 1.096 8 F CA -0.865 57.119 58.000 -0.026 0.000 0.953 8 F CB 1.517 40.516 39.000 -0.001 0.000 1.345 8 F HN 0.412 nan 8.300 nan 0.000 0.468 9 D N 0.786 121.290 120.400 0.174 0.000 2.097 9 D HA 0.075 4.715 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 1.393 55.442 54.000 0.082 0.000 0.826 9 D CB 0.080 40.910 40.800 0.050 0.000 0.973 9 D HN 0.419 nan 8.370 nan 0.000 0.460 10 A N -0.111 122.747 122.820 0.063 0.000 2.414 10 A HA 0.566 4.886 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 -0.022 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 2.920 122.785 119.914 -0.083 0.000 2.349 11 V HA 0.311 4.430 4.120 -0.000 0.000 0.284 11 V C -0.453 175.539 176.094 -0.171 0.000 1.014 11 V CA -0.464 61.728 62.300 -0.181 0.000 0.826 11 V CB 1.418 33.150 31.823 -0.152 0.000 1.009 11 V HN 0.652 nan 8.190 nan 0.000 0.431 12 V N 6.878 126.672 119.914 -0.200 0.000 2.353 12 V HA 0.366 4.486 4.120 -0.000 0.000 0.264 12 V C 0.297 176.288 176.094 -0.172 0.000 1.049 12 V CA -0.208 62.002 62.300 -0.151 0.000 0.896 12 V CB 1.115 32.863 31.823 -0.126 0.000 1.025 12 V HN 0.670 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 0.601 4.771 4.170 -0.000 0.000 0.296 13 I C 0.879 176.930 176.117 -0.110 0.000 1.121 13 I CA 0.284 61.492 61.300 -0.152 0.000 1.267 13 I CB 0.246 38.162 38.000 -0.140 0.000 1.447 13 I HN 0.826 nan 8.210 nan 0.000 0.509 14 G N 4.330 113.068 108.800 -0.104 0.000 2.801 14 G HA2 0.223 4.183 3.960 -0.000 0.000 0.648 14 G HA3 0.223 4.183 3.960 -0.000 0.000 0.648 14 G C -0.560 174.302 174.900 -0.064 0.000 1.415 14 G CA -0.350 44.707 45.100 -0.071 0.000 0.887 14 G HN 0.707 nan 8.290 nan 0.000 0.627 15 A N 1.246 124.031 122.820 -0.059 0.000 2.793 15 A HA 0.791 5.111 4.320 -0.000 0.000 0.301 15 A C 1.287 178.835 177.584 -0.060 0.000 1.172 15 A CA 1.047 53.045 52.037 -0.066 0.000 0.973 15 A CB -0.180 18.765 19.000 -0.091 0.000 1.164 15 A HN 2.017 nan 8.150 nan 0.000 0.542 16 G N -0.672 108.108 108.800 -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 1.159 176.051 174.900 -0.014 0.000 1.423 16 G CA 0.174 45.263 45.100 -0.018 0.000 1.055 16 G HN 0.527 nan 8.290 nan 0.000 0.536 17 G N -0.268 108.535 108.800 0.005 0.000 2.421 17 G HA2 0.035 3.995 3.960 -0.000 0.000 0.216 17 G HA3 0.035 3.995 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 1.927 47.035 45.100 0.013 0.000 0.775 17 G HN 0.890 nan 8.290 nan 0.000 0.543 18 A N 0.808 123.654 122.820 0.043 0.000 1.873 18 A HA 0.202 4.522 4.320 -0.000 0.000 0.215 18 A C 2.727 180.326 177.584 0.026 0.000 1.186 18 A CA 2.064 54.135 52.037 0.056 0.000 0.616 18 A CB -1.110 17.936 19.000 0.077 0.000 0.823 18 A HN 0.529 nan 8.150 nan 0.000 0.442 19 G N -0.721 108.082 108.800 0.004 0.000 2.421 19 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.216 19 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.216 19 G C 1.646 176.527 174.900 -0.032 0.000 1.171 19 G CA 1.198 46.285 45.100 -0.022 0.000 0.775 19 G HN 0.442 nan 8.290 nan 0.000 0.543 20 M N -0.485 119.098 119.600 -0.028 0.000 2.254 20 M HA 0.076 4.556 4.480 -0.000 0.000 0.265 20 M C 2.575 178.858 176.300 -0.029 0.000 1.066 20 M CA 0.897 56.177 55.300 -0.034 0.000 1.123 20 M CB -0.059 32.524 32.600 -0.028 0.000 1.388 20 M HN 0.137 nan 8.290 nan 0.000 0.425 21 R N 1.044 121.536 120.500 -0.013 0.000 2.092 21 R HA 0.012 4.352 4.340 -0.000 0.000 0.231 21 R C 2.009 178.302 176.300 -0.011 0.000 1.119 21 R CA 1.859 57.955 56.100 -0.007 0.000 0.970 21 R CB -0.681 29.626 30.300 0.012 0.000 0.864 21 R HN 0.305 nan 8.270 nan 0.000 0.440 22 A N 0.281 123.096 122.820 -0.009 0.000 1.855 22 A HA 0.004 4.324 4.320 -0.000 0.000 0.215 22 A C 2.370 179.927 177.584 -0.045 0.000 1.191 22 A CA 1.691 53.716 52.037 -0.021 0.000 0.613 22 A CB -1.182 17.807 19.000 -0.018 0.000 0.829 22 A HN 0.441 nan 8.150 nan 0.000 0.442 23 A N -0.763 122.025 122.820 -0.054 0.000 1.940 23 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 23 A C 2.121 179.671 177.584 -0.056 0.000 1.176 23 A CA 1.830 53.827 52.037 -0.066 0.000 0.631 23 A CB -0.592 18.364 19.000 -0.075 0.000 0.814 23 A HN 0.518 nan 8.150 nan 0.000 0.446 24 L N -0.865 120.328 121.223 -0.049 0.000 2.017 24 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 24 L C 2.564 179.410 176.870 -0.040 0.000 1.073 24 L CA 2.518 57.330 54.840 -0.046 0.000 0.745 24 L CB -0.588 41.445 42.059 -0.043 0.000 0.894 24 L HN 0.502 nan 8.230 nan 0.000 0.432 25 Q N -0.439 119.339 119.800 -0.038 0.000 2.083 25 Q HA -0.104 4.236 4.340 -0.000 0.000 0.198 25 Q C 2.119 178.092 176.000 -0.045 0.000 0.969 25 Q CA 1.754 57.534 55.803 -0.038 0.000 0.838 25 Q CB -0.274 28.443 28.738 -0.034 0.000 0.900 25 Q HN 0.590 nan 8.270 nan 0.000 0.436 26 I N -0.297 120.242 120.570 -0.052 0.000 2.208 26 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 26 I C 2.394 178.488 176.117 -0.040 0.000 1.097 26 I CA 1.408 62.673 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 0.224 nan 8.210 nan 0.000 0.413 27 S N 0.229 115.909 115.700 -0.034 0.000 2.368 27 S HA -0.218 4.252 4.470 -0.000 0.000 0.224 27 S C 1.977 176.568 174.600 -0.015 0.000 1.029 27 S CA 1.405 59.595 58.200 -0.018 0.000 0.988 27 S CB -0.149 63.040 63.200 -0.018 0.000 0.838 27 S HN 0.446 nan 8.310 nan 0.000 0.462 28 Q N 0.230 120.017 119.800 -0.022 0.000 2.364 28 Q HA 0.069 4.409 4.340 -0.000 0.000 0.207 28 Q C 1.883 177.870 176.000 -0.022 0.000 0.970 28 Q CA 1.044 56.835 55.803 -0.020 0.000 0.888 28 Q CB -0.056 28.668 28.738 -0.024 0.000 0.951 28 Q HN 0.445 nan 8.270 nan 0.000 0.469 29 S N -0.941 114.743 115.700 -0.027 0.000 2.562 29 S HA 0.101 4.571 4.470 -0.000 0.000 0.221 29 S C 1.163 175.750 174.600 -0.021 0.000 0.975 29 S CA 0.671 58.853 58.200 -0.030 0.000 0.918 29 S CB 0.553 63.729 63.200 -0.041 0.000 0.772 29 S HN 0.650 nan 8.310 nan 0.000 0.531 30 G N 0.923 109.715 108.800 -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 -0.270 174.629 174.900 -0.001 0.000 0.991 30 G CA -0.540 44.556 45.100 -0.006 0.000 0.653 30 G HN 0.477 nan 8.290 nan 0.000 0.518 31 Q N 1.086 120.885 119.800 -0.002 0.000 2.266 31 Q HA 0.592 4.932 4.340 -0.000 0.000 0.261 31 Q C 0.605 176.623 176.000 0.030 0.000 0.985 31 Q CA -0.073 55.735 55.803 0.008 0.000 0.873 31 Q CB 1.560 30.294 28.738 -0.007 0.000 1.306 31 Q HN 0.425 nan 8.270 nan 0.000 0.447 32 T N -1.812 112.781 114.554 0.064 0.000 2.919 32 T HA 0.341 4.691 4.350 -0.000 0.000 0.302 32 T C -0.194 174.600 174.700 0.157 0.000 1.031 32 T CA -0.659 61.522 62.100 0.136 0.000 1.127 32 T CB 0.672 69.650 68.868 0.182 0.000 0.952 32 T HN 0.658 nan 8.240 nan 0.000 0.540 33 C N 2.716 122.098 119.300 0.136 0.000 2.701 33 C HA 0.778 5.238 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 -0.366 58.636 59.018 -0.026 0.000 1.326 33 C CB 0.235 27.942 27.740 -0.055 0.000 1.833 33 C HN 1.315 nan 8.230 nan 0.000 0.473 34 A N 5.071 127.574 122.820 -0.529 0.000 2.271 34 A HA 0.688 5.008 4.320 -0.000 0.000 0.317 34 A C -0.991 176.374 177.584 -0.365 0.000 1.245 34 A CA -0.398 51.243 52.037 -0.661 0.000 0.857 34 A CB 0.773 18.927 19.000 -1.410 0.000 1.175 34 A HN 1.108 nan 8.150 nan 0.000 0.512 35 L N 4.082 125.191 121.223 -0.190 0.000 2.264 35 L HA 0.540 4.880 4.340 -0.000 0.000 0.287 35 L C -1.029 175.763 176.870 -0.130 0.000 1.039 35 L CA -0.285 54.461 54.840 -0.155 0.000 0.829 35 L CB 0.396 42.391 42.059 -0.107 0.000 1.211 35 L HN 0.576 nan 8.230 nan 0.000 0.427 36 L N 3.741 124.833 121.223 -0.218 0.000 2.379 36 L HA 0.733 5.073 4.340 -0.000 0.000 0.269 36 L C 0.198 177.015 176.870 -0.088 0.000 1.084 36 L CA 0.175 54.898 54.840 -0.194 0.000 0.802 36 L CB 1.676 43.508 42.059 -0.378 0.000 1.175 36 L HN 0.691 nan 8.230 nan 0.000 0.448 37 S N 0.003 115.705 115.700 0.003 0.000 2.570 37 S HA 0.290 4.760 4.470 -0.000 0.000 0.286 37 S C 0.102 174.759 174.600 0.095 0.000 1.143 37 S CA -0.721 57.489 58.200 0.017 0.000 0.921 37 S CB 0.835 64.028 63.200 -0.012 0.000 1.108 37 S HN 0.708 nan 8.310 nan 0.000 0.456 38 K N 2.006 122.455 120.400 0.083 0.000 2.487 38 K HA 0.234 4.554 4.320 -0.000 0.000 0.192 38 K C 0.601 177.278 176.600 0.128 0.000 1.027 38 K CA 0.534 56.907 56.287 0.142 0.000 1.054 38 K CB -0.246 32.381 32.500 0.211 0.000 0.824 38 K HN 0.485 nan 8.250 nan 0.000 0.510 39 V N -2.748 117.236 119.914 0.116 0.000 3.160 39 V HA 0.460 4.580 4.120 -0.000 0.000 0.310 39 V C -0.539 175.643 176.094 0.147 0.000 1.181 39 V CA -1.542 60.845 62.300 0.144 0.000 1.047 39 V CB 1.070 32.968 31.823 0.126 0.000 1.068 39 V HN 0.081 nan 8.190 nan 0.000 0.441 40 F N 3.740 123.712 119.950 0.036 0.000 2.608 40 F HA 0.341 4.868 4.527 -0.000 0.000 0.380 40 F C -1.400 174.338 175.800 -0.102 0.000 1.083 40 F CA -0.957 57.029 58.000 -0.024 0.000 1.266 40 F CB 1.006 39.977 39.000 -0.048 0.000 1.076 40 F HN 0.460 nan 8.300 nan 0.000 0.574 41 P HA -0.266 nan 4.420 nan 0.000 0.219 41 P C 1.372 178.399 177.300 -0.456 0.000 1.158 41 P CA 2.933 65.706 63.100 -0.546 0.000 0.895 41 P CB -0.297 31.013 31.700 -0.651 0.000 0.792 42 T N -4.057 110.133 114.554 -0.606 0.000 3.215 42 T HA 0.056 4.406 4.350 -0.000 0.000 0.254 42 T C 1.271 175.890 174.700 -0.134 0.000 1.149 42 T CA 0.214 62.057 62.100 -0.428 0.000 1.042 42 T CB -0.518 67.988 68.868 -0.603 0.000 0.966 42 T HN 0.040 nan 8.240 nan 0.000 0.534 43 R N 1.099 121.587 120.500 -0.019 0.000 2.362 43 R HA 0.323 4.663 4.340 -0.000 0.000 0.227 43 R C 0.497 176.826 176.300 0.049 0.000 0.905 43 R CA -0.082 56.056 56.100 0.064 0.000 1.067 43 R CB -0.077 30.300 30.300 0.128 0.000 1.078 43 R HN 0.347 nan 8.270 nan 0.000 0.516 44 S N 0.901 116.601 115.700 -0.000 0.000 2.576 44 S HA -0.047 4.423 4.470 -0.000 0.000 0.272 44 S C 1.120 175.762 174.600 0.070 0.000 1.352 44 S CA -0.229 57.989 58.200 0.031 0.000 1.021 44 S CB 0.731 63.925 63.200 -0.010 0.000 0.887 44 S HN 0.382 nan 8.310 nan 0.000 0.542 45 H N 1.708 120.784 119.070 0.009 0.000 2.489 45 H HA -0.059 4.497 4.556 -0.000 0.000 0.293 45 H C 1.816 177.158 175.328 0.024 0.000 1.066 45 H CA 2.082 58.140 56.048 0.017 0.000 1.305 45 H CB -0.462 29.304 29.762 0.006 0.000 1.386 45 H HN 0.607 nan 8.280 nan 0.000 0.551 46 T N -0.676 113.873 114.554 -0.008 0.000 2.778 46 T HA -0.185 4.165 4.350 -0.000 0.000 0.269 46 T C 2.126 176.783 174.700 -0.072 0.000 1.050 46 T CA 1.196 63.271 62.100 -0.043 0.000 1.137 46 T CB -0.626 68.238 68.868 -0.006 0.000 0.860 46 T HN 0.259 nan 8.240 nan 0.000 0.468 47 V N 1.122 121.002 119.914 -0.057 0.000 2.828 47 V HA -0.124 3.996 4.120 -0.000 0.000 0.260 47 V C 2.016 178.116 176.094 0.011 0.000 1.101 47 V CA 1.730 64.035 62.300 0.008 0.000 1.123 47 V CB -0.404 31.446 31.823 0.046 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 2.556 48 S HA 0.412 4.882 4.470 -0.000 0.000 0.216 48 S C 0.894 175.424 174.600 -0.116 0.000 0.970 48 S CA 0.337 58.447 58.200 -0.150 0.000 0.912 48 S CB 0.100 63.124 63.200 -0.294 0.000 0.790 48 S HN 0.681 nan 8.310 nan 0.000 0.504 49 A N 1.515 124.278 122.820 -0.094 0.000 2.511 49 A HA 0.236 4.556 4.320 -0.000 0.000 0.242 49 A C 0.846 178.449 177.584 0.030 0.000 1.069 49 A CA 0.084 52.114 52.037 -0.012 0.000 0.763 49 A CB 0.289 19.292 19.000 0.006 0.000 1.001 49 A HN 0.479 nan 8.150 nan 0.000 0.498 50 Q N 2.414 122.251 119.800 0.062 0.000 2.619 50 Q HA 0.137 4.477 4.340 -0.000 0.000 0.195 50 Q C 2.234 178.303 176.000 0.114 0.000 0.910 50 Q CA 0.391 56.241 55.803 0.077 0.000 0.862 50 Q CB -0.275 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 0.835 109.750 108.800 0.193 0.000 2.719 51 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.219 51 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.219 51 G C 0.683 175.589 174.900 0.011 0.000 1.234 51 G CA 1.342 46.598 45.100 0.260 0.000 0.788 51 G HN 0.614 nan 8.290 nan 0.000 0.619 52 G N -1.671 107.068 108.800 -0.102 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 -1.355 173.463 174.900 -0.136 0.000 1.329 52 G CA -0.418 44.633 45.100 -0.083 0.000 0.949 52 G HN 0.666 nan 8.290 nan 0.000 0.476 53 I N 1.381 121.905 120.570 -0.076 0.000 2.382 53 I HA 0.364 4.534 4.170 -0.000 0.000 0.285 53 I C 0.099 176.133 176.117 -0.137 0.000 1.007 53 I CA -0.616 60.647 61.300 -0.063 0.000 1.142 53 I CB 1.926 39.956 38.000 0.050 0.000 1.289 53 I HN 0.334 nan 8.210 nan 0.000 0.453 54 T N 6.008 120.463 114.554 -0.164 0.000 2.769 54 T HA 0.340 4.690 4.350 -0.000 0.000 0.293 54 T C -0.289 174.279 174.700 -0.220 0.000 0.931 54 T CA -0.026 61.947 62.100 -0.212 0.000 1.139 54 T CB 0.694 69.469 68.868 -0.155 0.000 0.881 54 T HN 0.387 nan 8.240 nan 0.000 0.532 55 V N 2.668 122.410 119.914 -0.287 0.000 3.000 55 V HA 0.680 4.800 4.120 -0.000 0.000 0.300 55 V C -0.842 175.113 176.094 -0.232 0.000 1.251 55 V CA -0.985 61.179 62.300 -0.226 0.000 0.972 55 V CB 2.015 33.766 31.823 -0.121 0.000 1.065 55 V HN 0.883 nan 8.190 nan 0.000 0.431 56 A N 6.238 128.975 122.820 -0.138 0.000 3.037 56 A HA 0.421 4.741 4.320 -0.000 0.000 0.272 56 A C 0.859 178.374 177.584 -0.116 0.000 1.723 56 A CA -0.065 51.911 52.037 -0.102 0.000 1.413 56 A CB -0.602 18.416 19.000 0.030 0.000 1.112 56 A HN 0.932 nan 8.150 nan 0.000 0.606 57 L N 1.018 122.138 121.223 -0.172 0.000 2.131 57 L HA 0.092 4.432 4.340 -0.000 0.000 0.206 57 L C 1.895 178.664 176.870 -0.168 0.000 1.087 57 L CA 0.997 55.733 54.840 -0.174 0.000 0.767 57 L CB -0.317 41.611 42.059 -0.218 0.000 0.917 57 L HN 0.802 nan 8.230 nan 0.000 0.441 58 G N 0.031 108.704 108.800 -0.212 0.000 2.171 58 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.238 58 G HA3 -0.252 3.708 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 0.477 45.448 45.100 -0.214 0.000 0.759 58 G HN 0.304 nan 8.290 nan 0.000 0.501 59 N N -0.077 118.502 118.700 -0.202 0.000 2.258 59 N HA 0.006 4.746 4.740 -0.000 0.000 0.183 59 N C 2.312 177.752 175.510 -0.117 0.000 1.029 59 N CA 1.726 54.691 53.050 -0.143 0.000 0.857 59 N CB -0.556 37.844 38.487 -0.146 0.000 1.008 59 N HN 0.334 nan 8.380 nan 0.000 0.433 60 T N 0.155 114.608 114.554 -0.168 0.000 2.867 60 T HA -0.064 4.286 4.350 -0.000 0.000 0.268 60 T C 0.101 174.817 174.700 0.028 0.000 1.057 60 T CA 1.335 63.388 62.100 -0.078 0.000 1.136 60 T CB -0.207 68.607 68.868 -0.090 0.000 0.874 60 T HN 0.624 nan 8.240 nan 0.000 0.466 61 H N -1.395 117.666 119.070 -0.015 0.000 3.037 61 H HA 0.571 5.126 4.556 -0.000 0.000 0.336 61 H C -1.145 174.194 175.328 0.019 0.000 1.323 61 H CA -1.105 54.952 56.048 0.014 0.000 1.159 61 H CB 0.510 30.293 29.762 0.034 0.000 1.882 61 H HN -0.041 nan 8.280 nan 0.000 0.535 62 E N 0.944 121.261 120.200 0.195 0.000 2.493 62 E HA 0.047 4.397 4.350 -0.000 0.000 0.255 62 E C -0.788 175.912 176.600 0.167 0.000 0.999 62 E CA 0.460 56.923 56.400 0.104 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 2.534 122.879 120.400 -0.090 0.000 2.585 63 D HA 0.423 5.063 4.640 -0.000 0.000 0.254 63 D C -1.406 174.545 176.300 -0.582 0.000 1.067 63 D CA -0.637 53.253 54.000 -0.182 0.000 1.090 63 D CB 1.272 41.988 40.800 -0.139 0.000 1.408 63 D HN 0.355 nan 8.370 nan 0.000 0.554 64 N N 0.746 119.027 118.700 -0.699 0.000 2.493 64 N HA 0.059 4.799 4.740 -0.000 0.000 0.279 64 N C 0.626 175.903 175.510 -0.389 0.000 1.082 64 N CA -0.667 51.888 53.050 -0.825 0.000 0.963 64 N CB 0.754 38.184 38.487 -1.761 0.000 1.627 64 N HN 0.636 nan 8.380 nan 0.000 0.499 65 W N 3.413 124.615 121.300 -0.165 0.000 2.421 65 W HA 0.008 4.668 4.660 -0.000 0.000 0.270 65 W C 0.433 177.014 176.519 0.103 0.000 1.233 65 W CA 0.564 57.920 57.345 0.018 0.000 1.226 65 W CB -0.270 29.192 29.460 0.004 0.000 1.121 65 W HN 0.562 nan 8.180 nan 0.000 0.579 66 E N 0.177 119.932 120.200 -0.743 0.000 2.152 66 E HA -0.162 4.188 4.350 -0.000 0.000 0.192 66 E C 1.958 178.633 176.600 0.124 0.000 0.983 66 E CA 1.514 57.665 56.400 -0.414 0.000 0.818 66 E CB -0.548 28.880 29.700 -0.454 0.000 0.758 66 E HN 0.186 nan 8.360 nan 0.000 0.467 67 W N 0.714 121.841 121.300 -0.287 0.000 2.363 67 W HA -0.132 4.528 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 0.886 58.047 57.345 -0.307 0.000 1.260 67 W CB -1.296 27.967 29.460 -0.328 0.000 1.131 67 W HN 0.334 nan 8.180 nan 0.000 0.530 68 H N -0.599 118.609 119.070 0.229 0.000 2.389 68 H HA -0.154 4.402 4.556 -0.000 0.000 0.299 68 H C 2.290 177.736 175.328 0.197 0.000 1.081 68 H CA 1.571 57.740 56.048 0.201 0.000 1.345 68 H CB -0.086 29.788 29.762 0.187 0.000 1.393 68 H HN 0.042 nan 8.280 nan 0.000 0.520 69 M N 0.096 119.820 119.600 0.206 0.000 2.117 69 M HA -0.226 4.254 4.480 -0.000 0.000 0.262 69 M C 2.164 178.464 176.300 -0.000 0.000 1.065 69 M CA 1.710 57.100 55.300 0.151 0.000 1.114 69 M CB -0.320 32.530 32.600 0.416 0.000 1.361 69 M HN 0.360 nan 8.290 nan 0.000 0.408 70 Y N 1.402 121.585 120.300 -0.194 0.000 2.097 70 Y HA -0.315 4.235 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 2.323 60.056 58.100 -0.612 0.000 1.136 70 Y CB -0.511 37.774 38.460 -0.292 0.000 0.975 70 Y HN 0.340 nan 8.280 nan 0.000 0.498 71 D N -0.662 119.752 120.400 0.025 0.000 2.149 71 D HA -0.169 4.471 4.640 -0.000 0.000 0.198 71 D C 2.083 178.337 176.300 -0.075 0.000 0.990 71 D CA 2.029 56.038 54.000 0.015 0.000 0.839 71 D CB -0.422 40.504 40.800 0.210 0.000 0.948 71 D HN 0.428 nan 8.370 nan 0.000 0.460 72 T N 0.485 115.002 114.554 -0.062 0.000 2.770 72 T HA -0.060 4.290 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 0.601 62.663 62.100 -0.064 0.000 1.142 72 T CB -0.304 68.516 68.868 -0.080 0.000 0.868 72 T HN -0.038 nan 8.240 nan 0.000 0.435 73 V N 1.908 121.675 119.914 -0.245 0.000 2.287 73 V HA -0.202 3.918 4.120 -0.000 0.000 0.248 73 V C 2.524 178.245 176.094 -0.622 0.000 1.053 73 V CA 1.859 63.971 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 0.349 120.291 120.400 -0.764 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 -0.456 0.000 1.049 74 K CA 1.693 57.468 56.287 -0.854 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 0.460 109.126 108.800 -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 1.432 176.312 174.900 -0.032 0.000 1.146 75 G CA 1.073 46.163 45.100 -0.016 0.000 0.769 75 G HN 0.510 nan 8.290 nan 0.000 0.547 76 S N -0.147 115.495 115.700 -0.096 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 0.947 59.127 58.200 -0.034 0.000 0.927 76 S CB -0.003 63.186 63.200 -0.018 0.000 0.772 76 S HN 0.309 nan 8.310 nan 0.000 0.533 77 D N 0.436 120.756 120.400 -0.134 0.000 2.911 77 D HA -0.264 4.376 4.640 -0.000 0.000 0.227 77 D C -0.570 175.805 176.300 0.125 0.000 1.164 77 D CA 1.049 55.039 54.000 -0.017 0.000 0.782 77 D CB -2.017 38.842 40.800 0.098 0.000 1.094 77 D HN 0.676 nan 8.370 nan 0.000 0.425 78 Y N -3.406 116.901 120.300 0.012 0.000 4.644 78 Y HA -0.317 4.233 4.550 -0.000 0.000 0.241 78 Y C 1.541 177.443 175.900 0.002 0.000 1.077 78 Y CA 1.077 59.186 58.100 0.015 0.000 2.080 78 Y CB -2.359 36.112 38.460 0.019 0.000 1.613 78 Y HN 0.480 nan 8.280 nan 0.000 0.686 79 I N -2.476 118.135 120.570 0.068 0.000 4.009 79 I HA 0.565 4.735 4.170 -0.000 0.000 0.331 79 I C 1.144 177.248 176.117 -0.022 0.000 1.462 79 I CA 0.088 61.358 61.300 -0.050 0.000 1.117 79 I CB 0.446 38.376 38.000 -0.116 0.000 1.091 79 I HN 0.149 nan 8.210 nan 0.000 0.410 80 G N 1.537 110.369 108.800 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 -0.638 174.335 174.900 0.121 0.000 1.208 80 G CA -0.308 44.850 45.100 0.097 0.000 0.856 80 G HN 0.185 nan 8.290 nan 0.000 0.500 81 D N 2.247 122.741 120.400 0.156 0.000 2.412 81 D HA 0.001 4.641 4.640 -0.000 0.000 0.257 81 D C 1.444 177.820 176.300 0.126 0.000 1.217 81 D CA 0.367 54.453 54.000 0.145 0.000 0.897 81 D CB 1.422 42.289 40.800 0.111 0.000 1.132 81 D HN 0.506 nan 8.370 nan 0.000 0.493 82 Q N 1.478 121.366 119.800 0.146 0.000 2.230 82 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 82 Q C 1.364 177.472 176.000 0.180 0.000 0.963 82 Q CA 0.843 56.754 55.803 0.180 0.000 0.866 82 Q CB 0.225 29.089 28.738 0.210 0.000 0.931 82 Q HN 0.542 nan 8.270 nan 0.000 0.452 83 D N 0.468 120.955 120.400 0.144 0.000 2.183 83 D HA -0.111 4.529 4.640 -0.000 0.000 0.203 83 D C 1.650 178.047 176.300 0.161 0.000 0.969 83 D CA 1.268 55.351 54.000 0.138 0.000 0.842 83 D CB -0.136 40.720 40.800 0.093 0.000 0.957 83 D HN 0.143 nan 8.370 nan 0.000 0.484 84 A N 0.983 123.893 122.820 0.149 0.000 1.897 84 A HA 0.057 4.377 4.320 -0.000 0.000 0.215 84 A C 2.545 180.303 177.584 0.289 0.000 1.181 84 A CA 0.794 52.957 52.037 0.209 0.000 0.620 84 A CB -0.700 18.359 19.000 0.098 0.000 0.821 84 A HN 0.234 nan 8.150 nan 0.000 0.443 85 I N -0.347 120.339 120.570 0.194 0.000 2.286 85 I HA -0.264 3.906 4.170 -0.000 0.000 0.248 85 I C 2.551 178.776 176.117 0.179 0.000 1.115 85 I CA 1.779 63.174 61.300 0.159 0.000 1.392 85 I CB -0.338 37.728 38.000 0.111 0.000 1.065 85 I HN 0.556 nan 8.210 nan 0.000 0.418 86 E N 0.768 121.106 120.200 0.229 0.000 2.058 86 E HA -0.308 4.042 4.350 -0.000 0.000 0.194 86 E C 2.302 178.941 176.600 0.065 0.000 0.997 86 E CA 1.572 58.120 56.400 0.246 0.000 0.801 86 E CB -0.259 29.604 29.700 0.272 0.000 0.746 86 E HN 0.517 nan 8.360 nan 0.000 0.450 87 Y N 0.739 121.030 120.300 -0.015 0.000 2.181 87 Y HA -0.238 4.311 4.550 -0.000 0.000 0.288 87 Y C 2.362 178.151 175.900 -0.185 0.000 1.146 87 Y CA 2.224 60.261 58.100 -0.105 0.000 1.164 87 Y CB -0.164 38.278 38.460 -0.031 0.000 0.982 87 Y HN 0.089 nan 8.280 nan 0.000 0.515 88 M N -1.058 118.544 119.600 0.004 0.000 2.077 88 M HA -0.237 4.243 4.480 -0.000 0.000 0.261 88 M C 2.129 178.344 176.300 -0.143 0.000 1.070 88 M CA 2.292 57.514 55.300 -0.130 0.000 1.125 88 M CB -0.544 32.094 32.600 0.063 0.000 1.339 88 M HN 0.439 nan 8.290 nan 0.000 0.409 89 C N 0.346 119.606 119.300 -0.066 0.000 2.440 89 C HA -0.095 4.365 4.460 -0.000 0.000 0.278 89 C C 2.626 177.577 174.990 -0.067 0.000 1.295 89 C CA 1.147 60.195 59.018 0.050 0.000 1.738 89 C CB -1.036 26.786 27.740 0.136 0.000 1.987 89 C HN 0.579 nan 8.230 nan 0.000 0.492 90 K N 1.325 121.465 120.400 -0.433 0.000 2.057 90 K HA -0.097 4.223 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 2.029 57.768 56.287 -0.913 0.000 0.935 90 K CB -0.688 31.079 32.500 -1.222 0.000 0.715 90 K HN 0.384 nan 8.250 nan 0.000 0.439 91 T N -0.117 114.099 114.554 -0.564 0.000 3.023 91 T HA 0.063 4.413 4.350 -0.000 0.000 0.266 91 T C 1.609 176.117 174.700 -0.318 0.000 1.093 91 T CA 0.717 62.512 62.100 -0.509 0.000 1.129 91 T CB -0.477 67.924 68.868 -0.779 0.000 0.899 91 T HN 0.480 nan 8.240 nan 0.000 0.491 92 G N 2.941 111.599 108.800 -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 -0.675 174.154 174.900 -0.119 0.000 1.234 92 G CA 1.090 46.117 45.100 -0.122 0.000 0.788 92 G HN 0.373 nan 8.290 nan 0.000 0.619 93 P HA -0.156 nan 4.420 nan 0.000 0.217 93 P C 1.701 178.919 177.300 -0.136 0.000 1.162 93 P CA 1.865 64.891 63.100 -0.124 0.000 0.901 93 P CB -0.144 31.489 31.700 -0.111 0.000 0.793 94 E N -0.574 119.540 120.200 -0.142 0.000 2.085 94 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 94 E C 1.918 178.446 176.600 -0.120 0.000 0.994 94 E CA 1.407 57.729 56.400 -0.130 0.000 0.801 94 E CB -0.561 29.060 29.700 -0.133 0.000 0.743 94 E HN 0.079 nan 8.360 nan 0.000 0.453 95 A N 0.942 123.689 122.820 -0.122 0.000 1.972 95 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 95 A C 2.051 179.597 177.584 -0.063 0.000 1.169 95 A CA 1.132 53.114 52.037 -0.092 0.000 0.635 95 A CB -0.307 18.632 19.000 -0.102 0.000 0.810 95 A HN 0.310 nan 8.150 nan 0.000 0.446 96 I N -0.316 120.210 120.570 -0.073 0.000 2.400 96 I HA -0.084 4.086 4.170 -0.000 0.000 0.248 96 I C 2.351 178.425 176.117 -0.072 0.000 1.109 96 I CA 0.774 62.051 61.300 -0.038 0.000 1.425 96 I CB -1.388 36.571 38.000 -0.068 0.000 1.094 96 I HN 0.263 nan 8.210 nan 0.000 0.425 97 L N 0.525 121.649 121.223 -0.165 0.000 2.127 97 L HA -0.220 4.120 4.340 -0.000 0.000 0.211 97 L C 2.488 179.149 176.870 -0.348 0.000 1.089 97 L CA 1.308 55.983 54.840 -0.276 0.000 0.757 97 L CB -0.500 41.386 42.059 -0.289 0.000 0.899 97 L HN 0.332 nan 8.230 nan 0.000 0.434 98 E N 0.573 120.662 120.200 -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 0.840 57.184 56.400 -0.092 0.000 0.804 98 E CB 0.039 29.717 29.700 -0.037 0.000 0.745 98 E HN 0.480 nan 8.360 nan 0.000 0.458 99 L N 0.877 122.107 121.223 0.011 0.000 2.093 99 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 99 L C 2.770 179.705 176.870 0.108 0.000 1.085 99 L CA 0.961 55.841 54.840 0.067 0.000 0.755 99 L CB -0.459 41.666 42.059 0.109 0.000 0.904 99 L HN 0.198 nan 8.230 nan 0.000 0.435 100 E N 0.382 120.671 120.200 0.149 0.000 2.110 100 E HA -0.231 4.119 4.350 -0.000 0.000 0.193 100 E C 1.946 178.641 176.600 0.159 0.000 0.988 100 E CA 1.520 58.040 56.400 0.201 0.000 0.804 100 E CB -0.085 29.696 29.700 0.135 0.000 0.745 100 E HN 0.635 nan 8.360 nan 0.000 0.458 101 H N -0.927 118.182 119.070 0.066 0.000 2.521 101 H HA 0.040 4.596 4.556 -0.000 0.000 0.286 101 H C 2.002 177.342 175.328 0.021 0.000 1.034 101 H CA 0.640 56.707 56.048 0.032 0.000 1.278 101 H CB 0.131 29.902 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 1.357 177.684 176.300 0.045 0.000 1.090 102 M CA 1.013 56.351 55.300 0.065 0.000 1.110 102 M CB 0.819 33.439 32.600 0.034 0.000 1.407 102 M HN 0.523 nan 8.290 nan 0.000 0.470 103 G N 1.139 109.977 108.800 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 -0.083 174.823 174.900 0.010 0.000 1.003 103 G CA -0.596 44.529 45.100 0.042 0.000 0.666 103 G HN 0.385 nan 8.290 nan 0.000 0.506 104 L N 2.139 123.352 121.223 -0.017 0.000 2.559 104 L HA 0.371 4.711 4.340 -0.000 0.000 0.274 104 L C -1.505 175.269 176.870 -0.162 0.000 1.205 104 L CA -1.107 53.641 54.840 -0.154 0.000 0.907 104 L CB 0.772 42.649 42.059 -0.303 0.000 1.153 104 L HN -0.054 nan 8.230 nan 0.000 0.490 105 P HA 0.146 nan 4.420 nan 0.000 0.225 105 P C -0.808 176.449 177.300 -0.072 0.000 1.813 105 P CA -0.184 62.877 63.100 -0.066 0.000 1.013 105 P CB -0.304 31.372 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 0.043 4.570 4.527 -0.000 0.000 0.356 106 F C 1.626 177.456 175.800 0.049 0.000 1.142 106 F CA 0.680 58.706 58.000 0.043 0.000 1.322 106 F CB 0.194 39.214 39.000 0.035 0.000 1.126 106 F HN 0.050 nan 8.300 nan 0.000 0.599 107 S N 2.916 118.792 115.700 0.294 0.000 2.589 107 S HA 0.416 4.886 4.470 -0.000 0.000 0.265 107 S C 0.002 174.721 174.600 0.198 0.000 1.342 107 S CA -0.694 57.605 58.200 0.166 0.000 1.005 107 S CB 0.529 63.774 63.200 0.075 0.000 0.909 107 S HN 0.320 nan 8.310 nan 0.000 0.555 108 R N 0.936 121.501 120.500 0.108 0.000 2.686 108 R HA 0.484 4.824 4.340 -0.000 0.000 0.286 108 R C -0.567 175.796 176.300 0.104 0.000 0.969 108 R CA -0.631 55.535 56.100 0.110 0.000 0.898 108 R CB 0.868 31.212 30.300 0.073 0.000 1.183 108 R HN 0.519 nan 8.270 nan 0.000 0.456 109 L N 1.279 122.575 121.223 0.121 0.000 2.479 109 L HA 0.110 4.450 4.340 -0.000 0.000 0.248 109 L C 1.269 178.176 176.870 0.061 0.000 1.205 109 L CA -0.373 54.533 54.840 0.109 0.000 0.817 109 L CB 0.426 42.541 42.059 0.093 0.000 1.162 109 L HN 0.470 nan 8.230 nan 0.000 0.486 110 D N 0.265 120.697 120.400 0.052 0.000 2.178 110 D HA -0.168 4.472 4.640 -0.000 0.000 0.201 110 D C 1.277 177.594 176.300 0.029 0.000 0.980 110 D CA 1.330 55.351 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 0.628 nan 8.370 nan 0.000 0.472 111 D N -1.419 118.999 120.400 0.030 0.000 2.349 111 D HA 0.130 4.770 4.640 -0.000 0.000 0.224 111 D C 1.517 177.830 176.300 0.021 0.000 1.029 111 D CA 0.802 54.815 54.000 0.022 0.000 0.879 111 D CB 0.006 40.816 40.800 0.017 0.000 0.906 111 D HN 0.211 nan 8.370 nan 0.000 0.528 112 G N -0.221 108.595 108.800 0.028 0.000 2.195 112 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.224 112 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.224 112 G C 0.384 175.301 174.900 0.028 0.000 0.990 112 G CA -0.209 44.909 45.100 0.030 0.000 0.639 112 G HN 0.418 nan 8.290 nan 0.000 0.514 113 R N -0.158 120.352 120.500 0.017 0.000 2.583 113 R HA 0.595 4.935 4.340 -0.000 0.000 0.268 113 R C 0.908 177.205 176.300 -0.006 0.000 1.101 113 R CA -0.603 55.492 56.100 -0.010 0.000 1.180 113 R CB 0.637 30.918 30.300 -0.032 0.000 1.128 113 R HN 0.273 nan 8.270 nan 0.000 0.568 114 I N 2.015 122.538 120.570 -0.078 0.000 2.683 114 I HA -0.117 4.053 4.170 -0.000 0.000 0.286 114 I C 0.168 176.258 176.117 -0.045 0.000 1.175 114 I CA 0.228 61.458 61.300 -0.117 0.000 1.429 114 I CB -0.004 37.733 38.000 -0.438 0.000 1.371 114 I HN 0.457 nan 8.210 nan 0.000 0.569 115 Y N 7.306 127.576 120.300 -0.050 0.000 2.377 115 Y HA 0.171 4.721 4.550 -0.000 0.000 0.330 115 Y C -0.254 175.625 175.900 -0.036 0.000 1.108 115 Y CA -0.116 57.973 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 6.842 126.175 119.800 -0.779 0.000 2.340 116 Q HA 0.418 4.758 4.340 -0.000 0.000 0.268 116 Q C -1.101 174.398 176.000 -0.835 0.000 1.031 116 Q CA -1.117 54.291 55.803 -0.659 0.000 0.804 116 Q CB 2.267 30.782 28.738 -0.373 0.000 1.286 116 Q HN 0.769 nan 8.270 nan 0.000 0.448 117 R N 0.940 121.123 120.500 -0.529 0.000 2.732 117 R HA 0.692 5.032 4.340 -0.000 0.000 0.278 117 R C -2.810 173.507 176.300 0.028 0.000 0.976 117 R CA -2.206 53.774 56.100 -0.200 0.000 0.963 117 R CB 0.552 30.901 30.300 0.081 0.000 1.150 117 R HN 0.188 nan 8.270 nan 0.000 0.478 118 P HA 0.075 nan 4.420 nan 0.000 0.269 118 P C -1.290 176.181 177.300 0.285 0.000 1.215 118 P CA 0.128 63.316 63.100 0.147 0.000 0.780 118 P CB 0.305 32.063 31.700 0.097 0.000 0.898 119 F N -0.418 119.534 119.950 0.004 0.000 2.745 119 F HA 0.530 5.057 4.527 -0.000 0.000 0.316 119 F C 0.426 176.219 175.800 -0.011 0.000 1.155 119 F CA -0.484 57.516 58.000 -0.001 0.000 0.937 119 F CB 1.162 40.161 39.000 -0.002 0.000 1.361 119 F HN 0.289 nan 8.300 nan 0.000 0.472 120 G N 0.366 109.136 108.800 -0.049 0.000 2.398 120 G HA2 0.418 4.378 3.960 -0.000 0.000 0.246 120 G HA3 0.418 4.378 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 -0.072 0.000 0.869 120 G HN 1.664 nan 8.290 nan 0.000 0.543 121 G N 0.898 109.707 108.800 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 0.361 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 -0.136 119.751 119.800 0.144 0.000 2.310 122 Q HA 0.633 4.973 4.340 -0.000 0.000 0.270 122 Q C -0.160 175.902 176.000 0.103 0.000 1.025 122 Q CA -0.113 55.775 55.803 0.141 0.000 0.772 122 Q CB 2.240 31.061 28.738 0.138 0.000 1.253 122 Q HN 0.776 nan 8.270 nan 0.000 0.450 123 S N 1.540 117.291 115.700 0.086 0.000 2.618 123 S HA 0.647 5.116 4.470 -0.000 0.000 0.277 123 S C -0.997 173.503 174.600 -0.166 0.000 1.138 123 S CA -1.087 57.097 58.200 -0.028 0.000 0.844 123 S CB 2.052 65.243 63.200 -0.015 0.000 1.127 123 S HN 0.412 nan 8.310 nan 0.000 0.474 124 K N 0.680 120.846 120.400 -0.391 0.000 2.123 124 K HA 0.510 4.830 4.320 -0.000 0.000 0.248 124 K C -0.549 175.282 176.600 -1.283 0.000 0.969 124 K CA -0.859 54.865 56.287 -0.937 0.000 0.882 124 K CB 0.355 32.395 32.500 -0.768 0.000 1.080 124 K HN 0.801 nan 8.250 nan 0.000 0.441 125 N N 0.979 118.223 118.700 -2.426 0.000 2.727 125 N HA -0.210 4.530 4.740 -0.000 0.000 0.249 125 N C -1.303 173.755 175.510 -0.754 0.000 1.048 125 N CA 0.583 52.800 53.050 -1.388 0.000 0.714 125 N CB -1.655 36.451 38.487 -0.636 0.000 0.959 125 N HN 0.605 nan 8.380 nan 0.000 0.544 126 F N -1.784 117.663 119.950 -0.839 0.000 2.695 126 F HA -0.137 4.390 4.527 -0.000 0.000 0.305 126 F C 1.434 176.631 175.800 -1.004 0.000 1.044 126 F CA 1.027 58.399 58.000 -1.046 0.000 1.049 126 F CB -1.770 36.761 39.000 -0.782 0.000 1.267 126 F HN 0.499 nan 8.300 nan 0.000 0.828 127 G N -0.769 107.767 108.800 -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 0.729 175.566 174.900 -0.104 0.000 0.990 127 G CA -0.037 45.029 45.100 -0.056 0.000 0.671 127 G HN 1.400 nan 8.290 nan 0.000 0.521 128 G N -0.680 107.989 108.800 -0.218 0.000 2.975 128 G HA2 0.551 4.511 3.960 -0.000 0.000 0.159 128 G HA3 0.551 4.511 3.960 -0.000 0.000 0.159 128 G C 0.230 175.033 174.900 -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 -0.091 119.997 120.200 -0.187 0.000 2.436 129 E HA 0.074 4.424 4.350 -0.000 0.000 0.262 129 E C 0.175 176.692 176.600 -0.138 0.000 1.063 129 E CA -0.186 56.126 56.400 -0.147 0.000 0.944 129 E CB 0.443 30.045 29.700 -0.164 0.000 0.950 129 E HN 0.301 nan 8.360 nan 0.000 0.444 130 Q N 1.491 121.238 119.800 -0.087 0.000 2.315 130 Q HA 0.172 4.512 4.340 -0.000 0.000 0.289 130 Q C -1.334 174.616 176.000 -0.082 0.000 1.044 130 Q CA 0.480 56.253 55.803 -0.051 0.000 0.920 130 Q CB 0.983 29.708 28.738 -0.022 0.000 1.214 130 Q HN 0.484 nan 8.270 nan 0.000 0.392 131 A N 2.873 125.689 122.820 -0.008 0.000 2.309 131 A HA 0.907 5.227 4.320 -0.000 0.000 0.317 131 A C -1.126 176.569 177.584 0.185 0.000 1.134 131 A CA -0.295 51.790 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 1.023 nan 8.150 nan 0.000 0.477 132 A N 0.603 123.651 122.820 0.381 0.000 2.855 132 A HA 0.563 4.883 4.320 -0.000 0.000 0.313 132 A C 0.002 177.586 177.584 -0.001 0.000 1.173 132 A CA -0.415 51.717 52.037 0.157 0.000 0.753 132 A CB 0.094 19.165 19.000 0.119 0.000 1.200 132 A HN 1.036 nan 8.150 nan 0.000 0.442 133 R N 0.234 120.703 120.500 -0.050 0.000 2.629 133 R HA 0.248 4.588 4.340 -0.000 0.000 0.408 133 R C -0.837 175.336 176.300 -0.212 0.000 1.057 133 R CA -0.121 55.875 56.100 -0.174 0.000 1.119 133 R CB 0.139 30.333 30.300 -0.176 0.000 1.403 133 R HN 0.241 nan 8.270 nan 0.000 0.576 134 T N 1.775 116.210 114.554 -0.199 0.000 2.891 134 T HA 0.428 4.778 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 1.017 69.625 68.868 -0.434 0.000 1.008 134 T HN 0.412 nan 8.240 nan 0.000 0.521 135 A N 3.197 125.908 122.820 -0.182 0.000 2.488 135 A HA 0.668 4.988 4.320 -0.000 0.000 0.249 135 A C 0.514 178.173 177.584 0.124 0.000 1.083 135 A CA -0.428 51.541 52.037 -0.113 0.000 0.768 135 A CB -0.005 18.833 19.000 -0.270 0.000 1.017 135 A HN 0.987 nan 8.150 nan 0.000 0.496 136 A N 1.399 124.387 122.820 0.279 0.000 2.556 136 A HA 0.790 5.110 4.320 -0.000 0.000 0.294 136 A C -0.248 177.565 177.584 0.380 0.000 1.091 136 A CA 0.016 52.245 52.037 0.320 0.000 0.704 136 A CB 1.347 20.501 19.000 0.257 0.000 1.300 136 A HN 2.261 nan 8.150 nan 0.000 0.406 137 A N 1.196 124.130 122.820 0.190 0.000 2.654 137 A HA 0.765 5.085 4.320 -0.000 0.000 0.345 137 A C 0.858 178.486 177.584 0.073 0.000 1.368 137 A CA 0.813 52.910 52.037 0.100 0.000 0.895 137 A CB -1.041 17.935 19.000 -0.040 0.000 1.143 137 A HN 2.842 nan 8.150 nan 0.000 0.490 138 A N 2.091 124.954 122.820 0.072 0.000 5.382 138 A HA -0.244 4.076 4.320 -0.000 0.000 0.307 138 A C 0.688 178.320 177.584 0.080 0.000 1.937 138 A CA 1.639 53.699 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 1.580 nan 8.150 nan 0.000 0.374 139 D N -0.458 119.975 120.400 0.055 0.000 2.788 139 D HA 0.399 5.039 4.640 -0.000 0.000 0.289 139 D C 0.449 176.777 176.300 0.048 0.000 1.340 139 D CA 0.001 54.043 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 -0.321 120.205 120.500 0.044 0.000 2.659 140 R HA 0.206 4.546 4.340 -0.000 0.000 0.418 140 R C 0.660 177.008 176.300 0.080 0.000 1.076 140 R CA -0.133 55.995 56.100 0.047 0.000 1.093 140 R CB 0.449 30.747 30.300 -0.002 0.000 1.400 140 R HN -0.015 nan 8.270 nan 0.000 0.583 141 T N 0.135 114.721 114.554 0.054 0.000 2.684 141 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 141 T C 2.004 176.712 174.700 0.013 0.000 1.036 141 T CA 1.974 64.084 62.100 0.017 0.000 1.148 141 T CB -0.158 68.729 68.868 0.031 0.000 0.863 141 T HN 0.558 nan 8.240 nan 0.000 0.436 142 G N 0.477 109.299 108.800 0.037 0.000 2.440 142 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.218 142 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.218 142 G C 1.261 176.194 174.900 0.055 0.000 1.154 142 G CA 1.420 46.536 45.100 0.026 0.000 0.767 142 G HN 0.673 nan 8.290 nan 0.000 0.552 143 H N 0.991 120.072 119.070 0.019 0.000 2.321 143 H HA 0.120 4.676 4.556 -0.000 0.000 0.300 143 H C 2.680 178.079 175.328 0.117 0.000 1.087 143 H CA 2.101 58.206 56.048 0.095 0.000 1.319 143 H CB -0.272 29.531 29.762 0.068 0.000 1.379 143 H HN 0.279 nan 8.280 nan 0.000 0.501 144 A N 0.684 123.537 122.820 0.055 0.000 1.902 144 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 144 A C 2.417 179.936 177.584 -0.108 0.000 1.181 144 A CA 1.598 53.599 52.037 -0.059 0.000 0.623 144 A CB -0.969 17.974 19.000 -0.096 0.000 0.818 144 A HN 0.509 nan 8.150 nan 0.000 0.443 145 L N -0.850 120.313 121.223 -0.099 0.000 1.994 145 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 145 L C 2.257 179.091 176.870 -0.061 0.000 1.071 145 L CA 2.123 56.910 54.840 -0.087 0.000 0.745 145 L CB -0.716 41.310 42.059 -0.055 0.000 0.892 145 L HN 0.306 nan 8.230 nan 0.000 0.431 146 L N -0.602 120.580 121.223 -0.069 0.000 2.012 146 L HA -0.250 4.090 4.340 -0.000 0.000 0.210 146 L C 2.681 179.475 176.870 -0.126 0.000 1.073 146 L CA 1.924 56.699 54.840 -0.108 0.000 0.748 146 L CB -0.988 40.977 42.059 -0.156 0.000 0.891 146 L HN 0.436 nan 8.230 nan 0.000 0.431 147 H N -1.413 117.568 119.070 -0.149 0.000 2.387 147 H HA -0.115 4.441 4.556 -0.000 0.000 0.299 147 H C 2.018 177.335 175.328 -0.017 0.000 1.090 147 H CA 1.897 57.889 56.048 -0.093 0.000 1.332 147 H CB -0.245 29.378 29.762 -0.232 0.000 1.386 147 H HN 0.387 nan 8.280 nan 0.000 0.516 148 T N 1.428 116.012 114.554 0.050 0.000 2.746 148 T HA -0.104 4.246 4.350 -0.000 0.000 0.267 148 T C 2.426 177.129 174.700 0.004 0.000 1.039 148 T CA 0.759 62.866 62.100 0.012 0.000 1.142 148 T CB -0.293 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 -0.503 120.719 121.223 -0.002 0.000 2.093 149 L HA -0.060 4.280 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 1.338 56.172 54.840 -0.011 0.000 0.755 149 L CB -0.499 41.551 42.059 -0.016 0.000 0.904 149 L HN 0.267 nan 8.230 nan 0.000 0.435 150 Y N 0.932 121.165 120.300 -0.112 0.000 2.200 150 Y HA -0.269 4.281 4.550 0.000 0.000 0.290 150 Y C 2.633 178.484 175.900 -0.081 0.000 1.137 150 Y CA 1.536 59.558 58.100 -0.130 0.000 1.163 150 Y CB -0.217 38.133 38.460 -0.184 0.000 0.988 150 Y HN 0.186 nan 8.280 nan 0.000 0.518 151 Q N -0.509 119.253 119.800 -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 -0.124 0.000 0.850 151 Q CB -0.145 28.589 28.738 -0.006 0.000 0.901 151 Q HN 0.495 nan 8.270 nan 0.000 0.429 152 Q N 0.253 119.978 119.800 -0.125 0.000 2.119 152 Q HA -0.069 4.271 4.340 -0.000 0.000 0.201 152 Q C 1.632 177.533 176.000 -0.165 0.000 0.972 152 Q CA 0.875 56.608 55.803 -0.118 0.000 0.847 152 Q CB -0.224 28.472 28.738 -0.070 0.000 0.903 152 Q HN 0.442 nan 8.270 nan 0.000 0.433 153 N N 0.399 118.977 118.700 -0.203 0.000 2.309 153 N HA -0.046 4.694 4.740 -0.000 0.000 0.182 153 N C 1.948 177.276 175.510 -0.303 0.000 1.018 153 N CA 0.554 53.470 53.050 -0.224 0.000 0.876 153 N CB 0.075 38.438 38.487 -0.207 0.000 0.972 153 N HN 0.239 nan 8.380 nan 0.000 0.434 154 L N 1.225 122.200 121.223 -0.414 0.000 2.027 154 L HA -0.123 4.217 4.340 -0.000 0.000 0.206 154 L C 2.546 179.162 176.870 -0.422 0.000 1.074 154 L CA 1.099 55.695 54.840 -0.407 0.000 0.745 154 L CB -0.380 41.428 42.059 -0.419 0.000 0.898 154 L HN 0.107 nan 8.230 nan 0.000 0.433 155 K N 0.347 120.541 120.400 -0.344 0.000 2.147 155 K HA -0.228 4.092 4.320 -0.000 0.000 0.205 155 K C 1.784 178.135 176.600 -0.414 0.000 1.049 155 K CA 1.489 57.567 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 0.304 nan 8.250 nan 0.000 0.446 156 N N -0.117 118.407 118.700 -0.294 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 -0.075 0.000 1.101 156 N CA 0.298 53.255 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 -0.321 118.702 119.070 -0.078 0.000 2.826 157 H HA -0.114 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 0.881 56.887 56.048 -0.070 0.000 1.150 157 H CB -2.408 27.327 29.762 -0.046 0.000 1.409 157 H HN 0.159 nan 8.280 nan 0.000 0.420 158 T N 1.497 116.033 114.554 -0.030 0.000 2.916 158 T HA 0.103 4.453 4.350 -0.000 0.000 0.303 158 T C 0.982 175.650 174.700 -0.052 0.000 1.025 158 T CA 0.198 62.273 62.100 -0.042 0.000 1.142 158 T CB 0.768 69.586 68.868 -0.083 0.000 0.947 158 T HN 0.220 nan 8.240 nan 0.000 0.544 159 T N 5.100 119.627 114.554 -0.046 0.000 2.750 159 T HA 0.279 4.629 4.350 -0.000 0.000 0.286 159 T C 0.377 174.977 174.700 -0.167 0.000 0.911 159 T CA -0.030 62.011 62.100 -0.098 0.000 1.130 159 T CB -0.535 68.331 68.868 -0.003 0.000 0.873 159 T HN 0.372 nan 8.240 nan 0.000 0.536 160 I N 3.590 124.029 120.570 -0.217 0.000 2.378 160 I HA 0.352 4.522 4.170 -0.000 0.000 0.291 160 I C -0.484 175.468 176.117 -0.274 0.000 0.992 160 I CA -0.812 60.391 61.300 -0.161 0.000 1.154 160 I CB 1.314 39.273 38.000 -0.068 0.000 1.315 160 I HN 0.522 nan 8.210 nan 0.000 0.448 161 F N 4.681 124.541 119.950 -0.150 0.000 2.359 161 F HA 0.224 4.751 4.527 -0.000 0.000 0.355 161 F C 1.033 176.904 175.800 0.119 0.000 1.132 161 F CA -0.233 57.673 58.000 -0.156 0.000 1.246 161 F CB 0.913 39.522 39.000 -0.652 0.000 1.569 161 F HN 0.374 nan 8.300 nan 0.000 0.561 162 S N 1.967 117.868 115.700 0.335 0.000 2.565 162 S HA 0.134 4.604 4.470 -0.000 0.000 0.276 162 S C 0.591 175.455 174.600 0.440 0.000 1.326 162 S CA -0.132 58.259 58.200 0.320 0.000 1.045 162 S CB 0.227 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 1.238 121.623 120.200 0.309 0.000 2.389 163 E HA -0.203 4.147 4.350 -0.000 0.000 0.243 163 E C -1.510 175.189 176.600 0.165 0.000 1.154 163 E CA 0.626 57.154 56.400 0.212 0.000 0.723 163 E CB -1.221 28.590 29.700 0.186 0.000 1.261 163 E HN 0.576 nan 8.360 nan 0.000 0.390 164 W N 0.380 121.738 121.300 0.097 0.000 2.551 164 W HA 0.472 5.132 4.660 0.000 0.000 0.330 164 W C 0.001 176.565 176.519 0.074 0.000 1.063 164 W CA -0.527 56.876 57.345 0.097 0.000 1.222 164 W CB 0.717 30.234 29.460 0.095 0.000 1.349 164 W HN 0.141 nan 8.180 nan 0.000 0.536 165 Y N 2.958 123.342 120.300 0.141 0.000 2.356 165 Y HA 0.628 5.178 4.550 -0.000 0.000 0.334 165 Y C 0.205 176.157 175.900 0.087 0.000 0.958 165 Y CA -1.171 56.964 58.100 0.058 0.000 1.196 165 Y CB 0.521 38.963 38.460 -0.029 0.000 1.137 165 Y HN 0.507 nan 8.280 nan 0.000 0.485 166 A N 6.998 129.614 122.820 -0.339 0.000 2.492 166 A HA 0.259 4.579 4.320 -0.000 0.000 0.254 166 A C 0.129 177.563 177.584 -0.250 0.000 1.091 166 A CA -0.038 51.864 52.037 -0.224 0.000 0.768 166 A CB 0.149 19.005 19.000 -0.240 0.000 1.028 166 A HN 1.087 nan 8.150 nan 0.000 0.498 167 L N 1.466 122.709 121.223 0.034 0.000 2.194 167 L HA 0.248 4.588 4.340 -0.000 0.000 0.197 167 L C 0.250 177.166 176.870 0.077 0.000 1.106 167 L CA 0.590 55.508 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 0.595 nan 8.230 nan 0.000 0.465 168 D N -1.191 119.254 120.400 0.075 0.000 2.609 168 D HA 0.401 5.041 4.640 -0.000 0.000 0.239 168 D C -1.015 175.321 176.300 0.060 0.000 1.229 168 D CA -0.489 53.546 54.000 0.058 0.000 0.808 168 D CB 2.682 43.520 40.800 0.063 0.000 1.448 168 D HN -0.124 nan 8.370 nan 0.000 0.433 169 L N 0.684 121.934 121.223 0.046 0.000 2.439 169 L HA 0.288 4.628 4.340 -0.000 0.000 0.269 169 L C 0.078 176.980 176.870 0.054 0.000 1.179 169 L CA -0.481 54.393 54.840 0.056 0.000 0.828 169 L CB 0.661 42.743 42.059 0.038 0.000 1.106 169 L HN 0.013 nan 8.230 nan 0.000 0.467 170 V N 3.041 123.003 119.914 0.079 0.000 2.370 170 V HA 0.317 4.437 4.120 -0.000 0.000 0.283 170 V C 0.025 176.139 176.094 0.035 0.000 1.023 170 V CA -0.766 61.553 62.300 0.032 0.000 0.857 170 V CB 1.326 33.153 31.823 0.006 0.000 0.985 170 V HN 0.654 nan 8.190 nan 0.000 0.443 171 K N 3.840 124.241 120.400 0.001 0.000 2.207 171 K HA 0.482 4.801 4.320 -0.000 0.000 0.255 171 K C -0.306 176.291 176.600 -0.005 0.000 0.941 171 K CA -0.782 55.508 56.287 0.006 0.000 0.825 171 K CB 1.686 34.185 32.500 -0.002 0.000 1.119 171 K HN 0.806 nan 8.250 nan 0.000 0.430 172 N N 0.736 119.441 118.700 0.007 0.000 2.413 172 N HA -0.057 4.683 4.740 -0.000 0.000 0.266 172 N C 0.687 176.195 175.510 -0.004 0.000 1.238 172 N CA -0.359 52.692 53.050 0.003 0.000 0.972 172 N CB 0.364 38.862 38.487 0.018 0.000 1.210 172 N HN 0.622 nan 8.380 nan 0.000 0.547 173 Q N -1.532 118.265 119.800 -0.005 0.000 2.364 173 Q HA -0.093 4.247 4.340 -0.000 0.000 0.209 173 Q C -0.351 175.645 176.000 -0.006 0.000 0.977 173 Q CA 1.367 57.165 55.803 -0.008 0.000 0.885 173 Q CB -0.240 28.493 28.738 -0.007 0.000 0.941 173 Q HN 0.516 nan 8.270 nan 0.000 0.464 174 D N 0.307 120.705 120.400 -0.003 0.000 2.340 174 D HA 0.088 4.727 4.640 -0.000 0.000 0.220 174 D C 0.953 177.248 176.300 -0.008 0.000 1.039 174 D CA 0.956 54.953 54.000 -0.004 0.000 0.866 174 D CB 0.601 41.401 40.800 -0.000 0.000 0.913 174 D HN 0.542 nan 8.370 nan 0.000 0.523 175 G N 0.463 109.258 108.800 -0.008 0.000 2.157 175 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.248 175 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.248 175 G C 0.474 175.367 174.900 -0.011 0.000 0.979 175 G CA 0.179 45.272 45.100 -0.012 0.000 0.650 175 G HN 0.599 nan 8.290 nan 0.000 0.529 176 A N -0.187 122.632 122.820 -0.002 0.000 2.327 176 A HA 0.756 5.076 4.320 -0.000 0.000 0.283 176 A C 0.527 178.122 177.584 0.019 0.000 1.127 176 A CA -0.052 51.987 52.037 0.002 0.000 0.810 176 A CB 1.306 20.312 19.000 0.011 0.000 1.066 176 A HN 1.121 nan 8.150 nan 0.000 0.492 177 V N 2.887 122.813 119.914 0.021 0.000 2.470 177 V HA 0.231 4.351 4.120 -0.000 0.000 0.276 177 V C 0.857 177.003 176.094 0.087 0.000 1.040 177 V CA 0.458 62.787 62.300 0.048 0.000 1.008 177 V CB 0.978 32.825 31.823 0.038 0.000 0.990 177 V HN 0.974 nan 8.190 nan 0.000 0.477 178 V N 2.128 122.114 119.914 0.121 0.000 2.988 178 V HA 0.881 5.001 4.120 -0.000 0.000 0.356 178 V C 0.563 176.802 176.094 0.241 0.000 1.380 178 V CA 0.427 62.826 62.300 0.165 0.000 1.184 178 V CB -0.477 31.448 31.823 0.171 0.000 1.204 178 V HN 1.269 nan 8.190 nan 0.000 0.530 179 G N -0.365 108.564 108.800 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 -0.560 174.495 174.900 0.258 0.000 1.288 179 G CA 0.312 45.553 45.100 0.234 0.000 1.075 179 G HN 1.890 nan 8.290 nan 0.000 0.480 180 C N -1.895 117.596 119.300 0.317 0.000 3.307 180 C HA 0.923 5.383 4.460 -0.000 0.000 0.333 180 C C 0.217 175.429 174.990 0.370 0.000 1.291 180 C CA 0.286 59.459 59.018 0.259 0.000 1.273 180 C CB 1.136 28.946 27.740 0.117 0.000 1.580 180 C HN 2.132 nan 8.230 nan 0.000 0.481 181 T N 0.284 115.007 114.554 0.280 0.000 2.882 181 T HA 0.789 5.139 4.350 -0.000 0.000 0.287 181 T C -0.106 174.769 174.700 0.291 0.000 0.992 181 T CA 0.265 62.547 62.100 0.303 0.000 1.076 181 T CB 1.375 70.365 68.868 0.203 0.000 0.961 181 T HN 2.237 nan 8.240 nan 0.000 0.490 182 A N 2.353 125.414 122.820 0.401 0.000 2.475 182 A HA 0.733 5.053 4.320 -0.000 0.000 0.301 182 A C -1.147 176.707 177.584 0.450 0.000 1.059 182 A CA -0.987 51.314 52.037 0.440 0.000 0.710 182 A CB 1.622 20.959 19.000 0.562 0.000 1.288 182 A HN 0.955 nan 8.150 nan 0.000 0.408 183 L N 2.310 123.731 121.223 0.329 0.000 2.280 183 L HA 0.539 4.879 4.340 -0.000 0.000 0.287 183 L C -0.167 176.611 176.870 -0.154 0.000 1.023 183 L CA -0.407 54.500 54.840 0.110 0.000 0.819 183 L CB 0.913 43.017 42.059 0.075 0.000 1.212 183 L HN 0.777 nan 8.230 nan 0.000 0.420 184 C N 6.709 125.646 119.300 -0.604 0.000 2.595 184 C HA 0.198 4.658 4.460 -0.000 0.000 0.374 184 C C 1.987 176.616 174.990 -0.601 0.000 1.250 184 C CA -0.419 57.872 59.018 -1.211 0.000 1.595 184 C CB -1.699 25.133 27.740 -1.513 0.000 2.257 184 C HN 0.963 nan 8.230 nan 0.000 0.568 185 I N 3.309 123.573 120.570 -0.510 0.000 2.248 185 I HA -0.188 3.982 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 1.844 62.848 61.300 -0.493 0.000 1.373 185 I CB -0.397 37.228 38.000 -0.626 0.000 1.055 185 I HN 0.812 nan 8.210 nan 0.000 0.418 186 E N 0.793 120.844 120.200 -0.249 0.000 2.028 186 E HA -0.230 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 2.220 58.651 56.400 0.051 0.000 0.799 186 E CB 0.077 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 -4.107 110.391 114.554 -0.093 0.000 3.040 187 T HA 0.286 4.636 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 0.785 62.852 62.100 -0.055 0.000 1.110 187 T CB 0.696 69.543 68.868 -0.035 0.000 0.921 187 T HN 0.374 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 -0.240 3.719 3.960 -0.000 0.000 0.232 188 G HA3 -0.240 3.719 3.960 -0.000 0.000 0.232 188 G C -0.155 174.691 174.900 -0.090 0.000 0.986 188 G CA 0.159 45.187 45.100 -0.119 0.000 0.643 188 G HN 0.854 nan 8.290 nan 0.000 0.522 189 E N 0.583 120.723 120.200 -0.100 0.000 2.376 189 E HA 0.392 4.742 4.350 -0.000 0.000 0.266 189 E C 0.052 176.660 176.600 0.014 0.000 1.009 189 E CA -0.245 56.142 56.400 -0.020 0.000 0.902 189 E CB 0.696 30.416 29.700 0.032 0.000 0.972 189 E HN 0.153 nan 8.360 nan 0.000 0.439 190 V N 5.274 125.239 119.914 0.085 0.000 2.427 190 V HA 0.356 4.476 4.120 -0.000 0.000 0.286 190 V C -0.139 176.071 176.094 0.194 0.000 1.034 190 V CA -0.598 61.792 62.300 0.151 0.000 0.893 190 V CB 1.582 33.473 31.823 0.114 0.000 0.982 190 V HN 0.482 nan 8.190 nan 0.000 0.452 191 V N 4.132 124.211 119.914 0.275 0.000 2.876 191 V HA 0.389 4.509 4.120 -0.000 0.000 0.312 191 V C -1.317 174.868 176.094 0.150 0.000 1.085 191 V CA -0.910 61.478 62.300 0.148 0.000 0.945 191 V CB 2.337 34.169 31.823 0.016 0.000 1.017 191 V HN 0.746 nan 8.190 nan 0.000 0.428 192 Y N 3.684 123.936 120.300 -0.080 0.000 2.454 192 Y HA 0.559 5.109 4.550 -0.000 0.000 0.345 192 Y C -0.725 175.092 175.900 -0.139 0.000 0.970 192 Y CA -1.837 56.243 58.100 -0.033 0.000 1.204 192 Y CB 0.577 39.031 38.460 -0.010 0.000 1.122 192 Y HN 0.483 nan 8.280 nan 0.000 0.514 193 F N 6.487 126.310 119.950 -0.212 0.000 2.464 193 F HA 0.250 4.777 4.527 -0.000 0.000 0.353 193 F C 0.661 176.134 175.800 -0.544 0.000 1.191 193 F CA -0.232 57.561 58.000 -0.345 0.000 1.147 193 F CB 0.339 39.193 39.000 -0.244 0.000 1.294 193 F HN 0.379 nan 8.300 nan 0.000 0.583 194 K N 3.133 123.118 120.400 -0.692 0.000 2.249 194 K HA 0.740 5.060 4.320 -0.000 0.000 0.280 194 K C -0.733 175.807 176.600 -0.100 0.000 1.033 194 K CA -0.253 55.697 56.287 -0.561 0.000 0.946 194 K CB 0.727 32.888 32.500 -0.566 0.000 1.005 194 K HN 0.675 nan 8.250 nan 0.000 0.469 195 A N 3.825 126.650 122.820 0.007 0.000 2.612 195 A HA 0.365 4.685 4.320 -0.000 0.000 0.293 195 A C -0.325 177.308 177.584 0.081 0.000 1.075 195 A CA -0.852 51.226 52.037 0.068 0.000 0.680 195 A CB 1.461 20.513 19.000 0.087 0.000 1.279 195 A HN 0.894 nan 8.150 nan 0.000 0.411 196 R N -0.025 120.521 120.500 0.077 0.000 2.246 196 R HA 0.405 4.745 4.340 -0.000 0.000 0.199 196 R C 0.474 176.858 176.300 0.139 0.000 0.984 196 R CA 1.309 57.464 56.100 0.091 0.000 1.015 196 R CB 0.416 30.756 30.300 0.068 0.000 0.930 196 R HN 0.847 nan 8.270 nan 0.000 0.475 197 A N 0.345 123.233 122.820 0.112 0.000 2.414 197 A HA 0.442 4.761 4.320 -0.000 0.000 0.286 197 A C -0.943 176.704 177.584 0.105 0.000 1.073 197 A CA -0.586 51.541 52.037 0.150 0.000 0.727 197 A CB 1.450 20.352 19.000 -0.164 0.000 1.215 197 A HN -0.009 nan 8.150 nan 0.000 0.430 198 T N 2.449 117.139 114.554 0.227 0.000 2.770 198 T HA 0.456 4.806 4.350 -0.000 0.000 0.297 198 T C -0.316 174.491 174.700 0.178 0.000 0.997 198 T CA -0.191 61.989 62.100 0.134 0.000 0.949 198 T CB 0.784 69.718 68.868 0.110 0.000 0.941 198 T HN 0.443 nan 8.240 nan 0.000 0.457 199 V N 5.777 125.728 119.914 0.062 0.000 2.333 199 V HA 0.316 4.436 4.120 -0.000 0.000 0.274 199 V C 0.253 176.360 176.094 0.023 0.000 1.028 199 V CA -0.765 61.578 62.300 0.071 0.000 0.851 199 V CB 0.800 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 4.768 126.015 121.223 0.041 0.000 2.315 200 L HA 0.557 4.897 4.340 -0.000 0.000 0.283 200 L C 0.650 177.516 176.870 -0.007 0.000 1.089 200 L CA 0.089 54.927 54.840 -0.003 0.000 0.833 200 L CB 0.988 43.043 42.059 -0.006 0.000 1.170 200 L HN 0.775 nan 8.230 nan 0.000 0.442 201 A N 1.499 124.302 122.820 -0.027 0.000 3.410 201 A HA 0.300 4.620 4.320 -0.000 0.000 0.276 201 A C 0.682 178.246 177.584 -0.032 0.000 0.995 201 A CA -0.263 51.762 52.037 -0.020 0.000 0.934 201 A CB 0.004 18.996 19.000 -0.013 0.000 1.191 201 A HN 0.718 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 1.208 175.886 174.700 -0.037 0.000 1.074 202 T CA 0.923 62.993 62.100 -0.049 0.000 0.988 202 T CB 0.005 68.832 68.868 -0.068 0.000 0.988 202 T HN 2.139 nan 8.240 nan 0.000 0.530 203 G N 0.299 109.077 108.800 -0.036 0.000 2.568 203 G HA2 0.220 4.180 3.960 -0.000 0.000 0.222 203 G HA3 0.220 4.180 3.960 -0.000 0.000 0.222 203 G C 0.147 174.992 174.900 -0.091 0.000 1.321 203 G CA -0.443 44.633 45.100 -0.041 0.000 0.893 203 G HN 0.879 nan 8.290 nan 0.000 0.569 204 G N -1.676 107.053 108.800 -0.117 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 0.418 175.294 174.900 -0.039 0.000 1.422 204 G CA 0.844 45.852 45.100 -0.154 0.000 1.051 204 G HN 2.235 nan 8.290 nan 0.000 0.560 205 A N -1.288 121.592 122.820 0.100 0.000 3.214 205 A HA 0.547 4.867 4.320 -0.000 0.000 0.203 205 A C 1.234 178.928 177.584 0.183 0.000 0.960 205 A CA 0.769 52.902 52.037 0.160 0.000 1.113 205 A CB 0.088 19.208 19.000 0.200 0.000 1.280 205 A HN 1.296 nan 8.150 nan 0.000 0.573 206 G N 0.082 108.931 108.800 0.082 0.000 2.498 206 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.219 206 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.219 206 G C 1.222 176.085 174.900 -0.062 0.000 1.119 206 G CA 0.367 45.449 45.100 -0.029 0.000 0.766 206 G HN 0.387 nan 8.290 nan 0.000 0.552 207 R N 0.569 121.034 120.500 -0.058 0.000 2.323 207 R HA 0.073 4.413 4.340 -0.000 0.000 0.198 207 R C 2.230 178.492 176.300 -0.064 0.000 0.988 207 R CA 0.191 56.259 56.100 -0.053 0.000 1.041 207 R CB -0.503 29.773 30.300 -0.040 0.000 0.926 207 R HN 0.752 nan 8.270 nan 0.000 0.476 208 I N -3.423 117.071 120.570 -0.127 0.000 3.444 208 I HA 0.023 4.193 4.170 -0.000 0.000 0.287 208 I C -0.066 175.823 176.117 -0.380 0.000 1.302 208 I CA 0.383 61.533 61.300 -0.250 0.000 1.368 208 I CB -0.136 37.651 38.000 -0.356 0.000 1.048 208 I HN -0.212 nan 8.210 nan 0.000 0.487 209 Y N 0.684 120.862 120.300 -0.202 0.000 2.602 209 Y HA 0.320 4.870 4.550 -0.000 0.000 0.330 209 Y C 1.426 177.293 175.900 -0.055 0.000 1.114 209 Y CA -0.499 57.524 58.100 -0.129 0.000 1.182 209 Y CB 1.155 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 0.191 120.104 119.800 0.189 0.000 2.187 210 Q HA -0.002 4.338 4.340 -0.000 0.000 0.199 210 Q C -0.138 175.926 176.000 0.107 0.000 0.957 210 Q CA 0.717 56.594 55.803 0.124 0.000 0.857 210 Q CB 0.347 29.171 28.738 0.143 0.000 0.929 210 Q HN 0.444 nan 8.270 nan 0.000 0.453 211 S N -0.372 115.406 115.700 0.130 0.000 2.647 211 S HA 0.488 4.958 4.470 -0.000 0.000 0.300 211 S C -1.102 173.519 174.600 0.034 0.000 1.129 211 S CA -0.507 57.737 58.200 0.074 0.000 1.029 211 S CB 1.803 65.056 63.200 0.088 0.000 1.007 211 S HN 0.174 nan 8.310 nan 0.000 0.484 212 T N 1.363 115.909 114.554 -0.014 0.000 2.868 212 T HA 0.477 4.827 4.350 -0.000 0.000 0.306 212 T C 1.033 175.706 174.700 -0.045 0.000 1.224 212 T CA 0.114 62.184 62.100 -0.049 0.000 1.012 212 T CB 1.442 70.263 68.868 -0.079 0.000 1.221 212 T HN 0.718 nan 8.240 nan 0.000 0.499 213 T N 0.311 114.865 114.554 -0.000 0.000 3.081 213 T HA 0.234 4.584 4.350 -0.000 0.000 0.255 213 T C 0.639 175.368 174.700 0.049 0.000 1.113 213 T CA 0.064 62.191 62.100 0.045 0.000 1.082 213 T CB -0.579 68.400 68.868 0.185 0.000 0.939 213 T HN 0.584 nan 8.240 nan 0.000 0.506 214 N N 1.469 120.109 118.700 -0.099 0.000 2.482 214 N HA 0.479 5.219 4.740 -0.000 0.000 0.260 214 N C 0.200 175.567 175.510 -0.238 0.000 1.236 214 N CA -0.455 52.376 53.050 -0.364 0.000 0.938 214 N CB 0.650 38.894 38.487 -0.405 0.000 1.128 214 N HN 0.434 nan 8.380 nan 0.000 0.448 215 A N 0.954 123.640 122.820 -0.225 0.000 2.366 215 A HA -0.001 4.319 4.320 -0.000 0.000 0.250 215 A C 0.965 178.491 177.584 -0.097 0.000 1.099 215 A CA -0.116 51.906 52.037 -0.024 0.000 0.794 215 A CB 0.082 19.185 19.000 0.171 0.000 1.056 215 A HN 0.801 nan 8.150 nan 0.000 0.499 216 H N 0.475 119.553 119.070 0.014 0.000 2.489 216 H HA -0.125 4.431 4.556 -0.000 0.000 0.293 216 H C 1.675 177.005 175.328 0.004 0.000 1.066 216 H CA 2.074 58.126 56.048 0.006 0.000 1.305 216 H CB -0.086 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 -1.353 119.286 120.570 0.115 0.000 3.578 217 I HA 0.032 4.202 4.170 -0.000 0.000 0.295 217 I C -0.253 175.885 176.117 0.035 0.000 1.280 217 I CA 0.122 61.473 61.300 0.084 0.000 1.347 217 I CB -0.092 37.965 38.000 0.094 0.000 1.051 217 I HN -0.178 nan 8.210 nan 0.000 0.460 218 N N 2.781 121.468 118.700 -0.022 0.000 2.739 218 N HA 0.089 4.829 4.740 -0.000 0.000 0.266 218 N C 0.817 176.317 175.510 -0.017 0.000 1.168 218 N CA 0.467 53.483 53.050 -0.057 0.000 1.055 218 N CB 0.478 38.864 38.487 -0.168 0.000 1.393 218 N HN 0.425 nan 8.380 nan 0.000 0.514 219 T N -3.012 111.551 114.554 0.014 0.000 3.084 219 T HA 0.255 4.605 4.350 -0.000 0.000 0.270 219 T C 1.090 175.810 174.700 0.034 0.000 1.008 219 T CA -0.113 62.004 62.100 0.029 0.000 0.900 219 T CB -0.021 68.877 68.868 0.050 0.000 1.084 219 T HN 0.384 nan 8.240 nan 0.000 0.538 220 G N 2.280 111.095 108.800 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 0.360 175.266 174.900 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 0.002 120.402 120.400 0.001 0.000 2.182 221 D HA -0.070 4.570 4.640 -0.000 0.000 0.201 221 D C 2.448 178.728 176.300 -0.033 0.000 0.986 221 D CA 1.680 55.671 54.000 -0.014 0.000 0.847 221 D CB -0.598 40.154 40.800 -0.079 0.000 0.942 221 D HN 0.574 nan 8.370 nan 0.000 0.467 222 G N 0.583 109.358 108.800 -0.042 0.000 2.418 222 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.217 222 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.217 222 G C 1.846 176.732 174.900 -0.023 0.000 1.158 222 G CA 0.761 45.837 45.100 -0.041 0.000 0.771 222 G HN 0.250 nan 8.290 nan 0.000 0.545 223 V N 1.560 121.463 119.914 -0.018 0.000 2.295 223 V HA -0.068 4.052 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 2.036 64.332 62.300 -0.006 0.000 1.024 223 V CB -1.117 30.703 31.823 -0.005 0.000 0.648 223 V HN 0.431 nan 8.190 nan 0.000 0.447 224 G N -0.662 108.150 108.800 0.021 0.000 2.421 224 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.216 224 G HA3 -0.269 3.691 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 1.145 46.267 45.100 0.037 0.000 0.775 224 G HN 0.425 nan 8.290 nan 0.000 0.543 225 M N 0.734 120.346 119.600 0.020 0.000 2.159 225 M HA 0.011 4.491 4.480 -0.000 0.000 0.263 225 M C 3.044 179.354 176.300 0.017 0.000 1.063 225 M CA 1.325 56.635 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 0.797 123.624 122.820 0.012 0.000 1.858 226 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 226 A C 2.073 179.674 177.584 0.029 0.000 1.190 226 A CA 1.460 53.504 52.037 0.012 0.000 0.617 226 A CB -0.884 18.118 19.000 0.003 0.000 0.827 226 A HN 0.434 nan 8.150 nan 0.000 0.443 227 I N -0.837 119.765 120.570 0.052 0.000 2.163 227 I HA -0.274 3.896 4.170 -0.000 0.000 0.243 227 I C 2.637 178.790 176.117 0.061 0.000 1.085 227 I CA 1.481 62.834 61.300 0.088 0.000 1.347 227 I CB -0.364 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 0.578 121.106 120.500 0.047 0.000 2.285 228 R HA -0.027 4.313 4.340 -0.000 0.000 0.213 228 R C 1.900 178.213 176.300 0.021 0.000 1.068 228 R CA 1.009 57.130 56.100 0.033 0.000 1.004 228 R CB -0.172 30.150 30.300 0.037 0.000 0.873 228 R HN 0.350 nan 8.270 nan 0.000 0.467 229 A N -0.326 122.505 122.820 0.018 0.000 2.308 229 A HA 0.297 4.617 4.320 -0.000 0.000 0.217 229 A C 1.376 178.959 177.584 -0.001 0.000 1.216 229 A CA 0.618 52.660 52.037 0.008 0.000 0.864 229 A CB 0.341 19.346 19.000 0.008 0.000 0.902 229 A HN 0.372 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 -0.197 3.763 3.960 -0.000 0.000 0.244 230 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.244 230 G C 0.171 175.060 174.900 -0.019 0.000 0.982 230 G CA 0.068 45.160 45.100 -0.013 0.000 0.641 230 G HN 0.769 nan 8.290 nan 0.000 0.527 231 V N 2.509 122.417 119.914 -0.009 0.000 2.530 231 V HA 0.434 4.553 4.120 -0.000 0.000 0.282 231 V C -1.382 174.714 176.094 0.003 0.000 1.048 231 V CA -1.188 61.102 62.300 -0.016 0.000 0.997 231 V CB 1.298 33.108 31.823 -0.021 0.000 0.987 231 V HN 0.163 nan 8.190 nan 0.000 0.477 232 P HA 0.350 nan 4.420 nan 0.000 0.277 232 P C -0.711 176.607 177.300 0.031 0.000 1.240 232 P CA -0.187 62.922 63.100 0.014 0.000 0.798 232 P CB 0.952 32.637 31.700 -0.025 0.000 0.979 233 V N -0.821 119.145 119.914 0.086 0.000 2.919 233 V HA 0.674 4.794 4.120 -0.000 0.000 0.316 233 V C -0.589 175.527 176.094 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 0.542 nan 8.190 nan 0.000 0.441 234 Q N 0.311 120.103 119.800 -0.013 0.000 2.375 234 Q HA 0.386 4.726 4.340 -0.000 0.000 0.271 234 Q C -0.963 175.034 176.000 -0.005 0.000 1.074 234 Q CA -0.429 55.372 55.803 -0.003 0.000 0.808 234 Q CB 1.775 30.476 28.738 -0.062 0.000 1.327 234 Q HN 0.962 nan 8.270 nan 0.000 0.441 235 D N 3.126 123.558 120.400 0.054 0.000 2.751 235 D HA -0.197 4.443 4.640 -0.000 0.000 0.233 235 D C 0.634 176.908 176.300 -0.044 0.000 1.149 235 D CA 0.722 54.749 54.000 0.045 0.000 0.682 235 D CB -0.240 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 -0.319 119.255 119.600 -0.044 0.000 2.549 236 M HA -0.112 4.368 4.480 -0.000 0.000 0.260 236 M C 2.052 178.351 176.300 -0.001 0.000 1.076 236 M CA 1.129 56.379 55.300 -0.084 0.000 1.090 236 M CB -0.360 32.207 32.600 -0.055 0.000 1.418 236 M HN 0.260 nan 8.290 nan 0.000 0.486 237 E N -0.522 119.697 120.200 0.031 0.000 2.478 237 E HA -0.050 4.300 4.350 -0.000 0.000 0.194 237 E C 0.278 176.996 176.600 0.196 0.000 1.045 237 E CA 0.309 56.793 56.400 0.140 0.000 0.868 237 E CB -0.091 29.590 29.700 -0.032 0.000 0.885 237 E HN 0.278 nan 8.360 nan 0.000 0.505 238 M N 1.441 121.064 119.600 0.039 0.000 2.974 238 M HA 0.197 4.677 4.480 -0.000 0.000 0.301 238 M C -1.264 175.014 176.300 -0.037 0.000 1.409 238 M CA -0.055 55.279 55.300 0.056 0.000 1.515 238 M CB -1.394 31.219 32.600 0.022 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 0.385 5.045 4.660 -0.000 0.000 0.309 239 W C 0.613 177.136 176.519 0.007 0.000 1.083 239 W CA -0.417 56.937 57.345 0.015 0.000 1.224 239 W CB 0.853 30.296 29.460 -0.028 0.000 1.256 239 W HN 0.448 nan 8.180 nan 0.000 0.461 240 Q N 3.529 123.442 119.800 0.188 0.000 2.295 240 Q HA 0.280 4.620 4.340 -0.000 0.000 0.259 240 Q C -1.272 174.766 176.000 0.063 0.000 0.976 240 Q CA -0.279 55.636 55.803 0.187 0.000 0.923 240 Q CB 0.463 29.335 28.738 0.223 0.000 1.185 240 Q HN 0.418 nan 8.270 nan 0.000 0.410 241 F N 3.917 123.929 119.950 0.103 0.000 2.313 241 F HA 0.173 4.700 4.527 -0.000 0.000 0.369 241 F C 0.589 176.415 175.800 0.043 0.000 1.109 241 F CA -0.733 57.301 58.000 0.056 0.000 1.132 241 F CB 0.587 39.560 39.000 -0.044 0.000 1.291 241 F HN 0.579 nan 8.300 nan 0.000 0.496 242 H N 5.661 124.787 119.070 0.093 0.000 3.034 242 H HA 0.007 4.563 4.556 -0.000 0.000 0.324 242 H C -1.701 173.611 175.328 -0.026 0.000 1.015 242 H CA -0.996 55.008 56.048 -0.073 0.000 1.429 242 H CB 1.476 31.036 29.762 -0.336 0.000 1.429 242 H HN 0.345 nan 8.280 nan 0.000 0.585 243 P HA -0.097 nan 4.420 nan 0.000 0.216 243 P C 0.357 177.709 177.300 0.087 0.000 1.150 243 P CA 1.669 64.743 63.100 -0.043 0.000 0.837 243 P CB 0.191 31.793 31.700 -0.162 0.000 0.786 244 T N -3.117 111.587 114.554 0.250 0.000 3.390 244 T HA 0.620 4.970 4.350 -0.000 0.000 0.351 244 T C 0.334 175.077 174.700 0.072 0.000 1.759 244 T CA -0.871 61.316 62.100 0.144 0.000 1.561 244 T CB 0.066 68.990 68.868 0.092 0.000 1.011 244 T HN -0.018 nan 8.240 nan 0.000 0.689 245 G N 1.886 110.717 108.800 0.052 0.000 2.400 245 G HA2 0.596 4.556 3.960 -0.000 0.000 0.301 245 G HA3 0.596 4.556 3.960 -0.000 0.000 0.301 245 G C 0.014 174.904 174.900 -0.017 0.000 1.154 245 G CA -1.124 43.970 45.100 -0.010 0.000 0.852 245 G HN 0.789 nan 8.290 nan 0.000 0.511 246 I N 1.889 122.432 120.570 -0.045 0.000 2.664 246 I HA 0.069 4.239 4.170 -0.000 0.000 0.284 246 I C 1.337 177.445 176.117 -0.016 0.000 1.154 246 I CA -0.095 61.175 61.300 -0.051 0.000 1.402 246 I CB 0.635 38.612 38.000 -0.038 0.000 1.395 246 I HN 0.519 nan 8.210 nan 0.000 0.545 247 A N 5.463 128.262 122.820 -0.034 0.000 2.545 247 A HA 0.363 4.683 4.320 -0.000 0.000 0.253 247 A C 1.346 179.008 177.584 0.131 0.000 1.074 247 A CA 0.616 52.682 52.037 0.048 0.000 0.760 247 A CB -0.330 18.690 19.000 0.034 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 0.130 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 0.749 175.713 174.900 0.105 0.000 0.979 248 G CA 1.085 46.266 45.100 0.135 0.000 0.641 248 G HN 2.084 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 2.625 180.183 177.584 -0.043 0.000 1.635 249 A CA 1.894 53.948 52.037 0.029 0.000 1.111 249 A CB -0.235 18.790 19.000 0.042 0.000 1.165 249 A HN 2.266 nan 8.150 nan 0.000 0.460 250 G N -0.813 107.967 108.800 -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 0.225 45.299 45.100 -0.043 0.000 0.621 250 G HN 1.087 nan 8.290 nan 0.000 0.524 251 V N 2.215 122.022 119.914 -0.178 0.000 2.599 251 V HA 0.373 4.493 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 0.352 62.511 62.300 -0.235 0.000 1.115 251 V CB 1.267 32.797 31.823 -0.489 0.000 0.934 251 V HN 0.615 nan 8.190 nan 0.000 0.485 252 L N 7.643 128.793 121.223 -0.122 0.000 2.397 252 L HA 0.512 4.852 4.340 -0.000 0.000 0.271 252 L C -0.050 176.738 176.870 -0.135 0.000 1.148 252 L CA 0.323 55.068 54.840 -0.158 0.000 0.825 252 L CB 1.336 43.285 42.059 -0.184 0.000 1.117 252 L HN 0.569 nan 8.230 nan 0.000 0.456 253 V N 1.805 121.631 119.914 -0.148 0.000 2.448 253 V HA 0.459 4.579 4.120 -0.000 0.000 0.295 253 V C 0.338 176.375 176.094 -0.094 0.000 1.025 253 V CA -0.454 61.793 62.300 -0.089 0.000 0.859 253 V CB 0.808 32.597 31.823 -0.057 0.000 0.988 253 V HN 0.924 nan 8.190 nan 0.000 0.431 254 T N 1.966 116.496 114.554 -0.041 0.000 2.939 254 T HA -0.017 4.333 4.350 -0.000 0.000 0.319 254 T C 1.024 175.739 174.700 0.025 0.000 1.082 254 T CA 1.104 63.218 62.100 0.023 0.000 1.133 254 T CB 0.564 69.496 68.868 0.107 0.000 1.019 254 T HN 1.105 nan 8.240 nan 0.000 0.548 255 E N 2.133 122.347 120.200 0.023 0.000 2.409 255 E HA -0.023 4.327 4.350 -0.000 0.000 0.198 255 E C 2.003 178.333 176.600 -0.449 0.000 1.024 255 E CA 0.871 57.095 56.400 -0.293 0.000 0.861 255 E CB -0.680 28.642 29.700 -0.630 0.000 0.788 255 E HN 0.917 nan 8.360 nan 0.000 0.521 256 G N 0.212 108.935 108.800 -0.127 0.000 2.470 256 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.220 256 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.220 256 G C 1.534 176.443 174.900 0.014 0.000 1.121 256 G CA 0.750 45.901 45.100 0.085 0.000 0.766 256 G HN 0.382 nan 8.290 nan 0.000 0.553 257 C N 0.242 119.526 119.300 -0.027 0.000 2.413 257 C HA -0.012 4.448 4.460 -0.000 0.000 0.276 257 C C 2.880 177.837 174.990 -0.055 0.000 1.248 257 C CA 0.814 59.807 59.018 -0.040 0.000 1.742 257 C CB -0.675 27.034 27.740 -0.051 0.000 2.017 257 C HN 0.487 nan 8.230 nan 0.000 0.481 258 R N 0.313 120.759 120.500 -0.089 0.000 2.200 258 R HA 0.047 4.387 4.340 -0.000 0.000 0.208 258 R C 2.369 178.634 176.300 -0.058 0.000 1.033 258 R CA 1.057 57.113 56.100 -0.073 0.000 1.000 258 R CB -0.493 29.738 30.300 -0.115 0.000 0.906 258 R HN 0.589 nan 8.270 nan 0.000 0.462 259 G N 1.151 109.899 108.800 -0.085 0.000 2.484 259 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.218 259 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.218 259 G C 1.203 176.142 174.900 0.065 0.000 1.130 259 G CA 0.198 45.293 45.100 -0.008 0.000 0.784 259 G HN 0.156 nan 8.290 nan 0.000 0.543 260 E N -0.126 120.109 120.200 0.058 0.000 2.474 260 E HA 0.170 4.520 4.350 -0.000 0.000 0.194 260 E C 1.748 178.383 176.600 0.059 0.000 1.041 260 E CA 0.675 57.119 56.400 0.073 0.000 0.874 260 E CB 0.596 30.329 29.700 0.055 0.000 0.914 260 E HN 0.454 nan 8.360 nan 0.000 0.498 261 G N 0.648 109.490 108.800 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 0.619 175.664 174.900 0.242 0.000 1.002 261 G CA -0.289 44.902 45.100 0.152 0.000 0.730 261 G HN 0.407 nan 8.290 nan 0.000 0.497 262 G N 0.166 109.010 108.800 0.073 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 -0.250 174.693 174.900 0.073 0.000 1.231 262 G CA 0.333 45.434 45.100 0.002 0.000 0.838 262 G HN 1.282 nan 8.290 nan 0.000 0.570 263 Y N -1.164 119.169 120.300 0.055 0.000 2.644 263 Y HA 0.715 5.265 4.550 -0.000 0.000 0.338 263 Y C -0.743 175.117 175.900 -0.067 0.000 1.119 263 Y CA -1.785 56.289 58.100 -0.043 0.000 1.060 263 Y CB 1.133 39.553 38.460 -0.068 0.000 1.294 263 Y HN 0.420 nan 8.280 nan 0.000 0.472 264 L N 2.589 123.841 121.223 0.049 0.000 2.357 264 L HA 0.652 4.992 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 -0.671 54.143 54.840 -0.043 0.000 0.803 264 L CB 1.325 43.248 42.059 -0.227 0.000 1.174 264 L HN 0.586 nan 8.230 nan 0.000 0.443 265 L N 1.799 123.141 121.223 0.197 0.000 2.393 265 L HA 0.510 4.850 4.340 -0.000 0.000 0.260 265 L C -0.671 176.433 176.870 0.389 0.000 1.002 265 L CA -0.937 54.080 54.840 0.295 0.000 0.818 265 L CB 2.170 44.355 42.059 0.209 0.000 1.369 265 L HN 0.665 nan 8.230 nan 0.000 0.412 266 N N 0.586 119.505 118.700 0.364 0.000 2.643 266 N HA 0.216 4.956 4.740 -0.000 0.000 0.305 266 N C 0.376 175.908 175.510 0.038 0.000 1.283 266 N CA -0.877 52.264 53.050 0.151 0.000 0.946 266 N CB 0.365 38.893 38.487 0.068 0.000 1.149 266 N HN 0.603 nan 8.380 nan 0.000 0.600 267 K N -1.421 118.911 120.400 -0.114 0.000 2.280 267 K HA -0.123 4.197 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 1.246 57.406 56.287 -0.211 0.000 0.942 267 K CB -0.385 31.908 32.500 -0.344 0.000 0.739 267 K HN 0.472 nan 8.250 nan 0.000 0.457 268 H N -0.195 118.904 119.070 0.049 0.000 2.551 268 H HA 0.157 4.713 4.556 -0.000 0.000 0.271 268 H C 1.128 176.496 175.328 0.067 0.000 0.984 268 H CA 0.658 56.736 56.048 0.050 0.000 1.164 268 H CB 1.027 30.814 29.762 0.040 0.000 1.437 268 H HN 0.582 nan 8.280 nan 0.000 0.550 269 G N 1.481 110.383 108.800 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 0.215 175.214 174.900 0.163 0.000 0.981 269 G CA 0.375 45.566 45.100 0.152 0.000 0.665 269 G HN 0.499 nan 8.290 nan 0.000 0.528 270 E N 0.330 120.651 120.200 0.202 0.000 2.289 270 E HA 0.322 4.672 4.350 -0.000 0.000 0.278 270 E C 0.697 177.421 176.600 0.206 0.000 1.032 270 E CA -0.793 55.716 56.400 0.181 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 5.463 126.006 120.500 0.070 0.000 3.247 271 R HA 0.026 4.366 4.340 -0.000 0.000 0.212 271 R C 0.647 176.917 176.300 -0.050 0.000 1.604 271 R CA -0.117 55.954 56.100 -0.048 0.000 1.279 271 R CB -0.538 29.631 30.300 -0.219 0.000 1.277 271 R HN 0.557 nan 8.270 nan 0.000 0.669 272 F N 1.254 121.271 119.950 0.111 0.000 2.451 272 F HA -0.086 4.441 4.527 -0.000 0.000 0.299 272 F C 1.247 177.192 175.800 0.240 0.000 1.101 272 F CA 0.237 58.336 58.000 0.165 0.000 1.436 272 F CB -0.194 38.963 39.000 0.261 0.000 1.074 272 F HN 0.264 nan 8.300 nan 0.000 0.553 273 M N 1.082 120.540 119.600 -0.236 0.000 2.460 273 M HA -0.101 4.379 4.480 -0.000 0.000 0.263 273 M C 1.788 178.114 176.300 0.044 0.000 1.071 273 M CA 1.018 56.295 55.300 -0.037 0.000 1.096 273 M CB -1.191 31.277 32.600 -0.218 0.000 1.408 273 M HN 0.411 nan 8.290 nan 0.000 0.463 274 E N -0.578 119.617 120.200 -0.008 0.000 2.208 274 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 274 E C 2.136 178.743 176.600 0.011 0.000 0.988 274 E CA 0.641 57.033 56.400 -0.012 0.000 0.828 274 E CB 0.007 29.676 29.700 -0.052 0.000 0.763 274 E HN 0.455 nan 8.360 nan 0.000 0.478 275 R N -0.222 120.290 120.500 0.019 0.000 2.080 275 R HA -0.065 4.275 4.340 -0.000 0.000 0.222 275 R C 1.645 177.889 176.300 -0.093 0.000 1.107 275 R CA 0.867 56.919 56.100 -0.079 0.000 0.980 275 R CB 0.053 30.243 30.300 -0.183 0.000 0.879 275 R HN 0.150 nan 8.270 nan 0.000 0.439 276 Y N -0.564 119.800 120.300 0.107 0.000 2.337 276 Y HA 0.189 4.739 4.550 -0.000 0.000 0.293 276 Y C 0.666 176.623 175.900 0.096 0.000 1.123 276 Y CA 0.783 58.952 58.100 0.115 0.000 1.201 276 Y CB 0.442 38.998 38.460 0.159 0.000 1.011 276 Y HN 0.096 nan 8.280 nan 0.000 0.545 277 A N -0.565 122.384 122.820 0.214 0.000 2.984 277 A HA 0.428 4.748 4.320 -0.000 0.000 0.320 277 A C -2.217 175.425 177.584 0.097 0.000 1.142 277 A CA -1.150 50.985 52.037 0.163 0.000 0.772 277 A CB 0.352 19.451 19.000 0.165 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 64.553 63.100 0.034 0.000 0.828 278 P CB 0.379 32.094 31.700 0.025 0.000 0.783 279 N N -0.851 117.882 118.700 0.055 0.000 2.244 279 N HA 0.019 4.759 4.740 -0.000 0.000 0.189 279 N C 1.714 177.256 175.510 0.054 0.000 1.047 279 N CA 1.455 54.535 53.050 0.049 0.000 0.870 279 N CB -1.139 37.383 38.487 0.058 0.000 1.041 279 N HN -0.019 nan 8.380 nan 0.000 0.448 280 A N 0.706 123.586 122.820 0.100 0.000 2.067 280 A HA 0.026 4.346 4.320 -0.000 0.000 0.217 280 A C 0.897 178.493 177.584 0.021 0.000 1.156 280 A CA 0.600 52.685 52.037 0.080 0.000 0.683 280 A CB -0.100 18.989 19.000 0.149 0.000 0.808 280 A HN 0.312 nan 8.150 nan 0.000 0.455 281 K N -1.604 118.809 120.400 0.022 0.000 1.791 281 K HA -0.280 4.040 4.320 -0.000 0.000 0.140 281 K C 0.317 176.885 176.600 -0.052 0.000 1.312 281 K CA 1.863 58.141 56.287 -0.016 0.000 0.382 281 K CB -1.421 31.055 32.500 -0.040 0.000 0.635 281 K HN 0.384 nan 8.250 nan 0.000 0.838 282 D N 1.076 121.433 120.400 -0.072 0.000 2.378 282 D HA 0.028 4.668 4.640 -0.000 0.000 0.227 282 D C 0.829 177.057 176.300 -0.120 0.000 1.012 282 D CA 0.729 54.670 54.000 -0.098 0.000 0.905 282 D CB -0.010 40.755 40.800 -0.060 0.000 0.895 282 D HN 0.185 nan 8.370 nan 0.000 0.532 283 L N 0.104 121.265 121.223 -0.104 0.000 3.017 283 L HA 0.420 4.760 4.340 -0.000 0.000 0.255 283 L C 0.726 177.495 176.870 -0.169 0.000 1.247 283 L CA -0.584 54.179 54.840 -0.128 0.000 1.038 283 L CB 0.158 42.175 42.059 -0.069 0.000 1.380 283 L HN -0.020 nan 8.230 nan 0.000 0.548 284 A N -0.068 122.610 122.820 -0.237 0.000 2.251 284 A HA 0.608 4.928 4.320 -0.000 0.000 0.278 284 A C 0.845 178.004 177.584 -0.709 0.000 1.206 284 A CA 0.180 51.910 52.037 -0.512 0.000 0.822 284 A CB -0.059 18.732 19.000 -0.349 0.000 1.187 284 A HN 0.266 nan 8.150 nan 0.000 0.504 285 G N -1.164 106.835 108.800 -1.335 0.000 2.484 285 G HA2 0.267 4.227 3.960 -0.000 0.000 0.235 285 G HA3 0.267 4.227 3.960 -0.000 0.000 0.235 285 G C 0.689 175.375 174.900 -0.356 0.000 1.282 285 G CA -0.201 44.472 45.100 -0.711 0.000 0.857 285 G HN 0.755 nan 8.290 nan 0.000 0.571 286 R N 0.560 120.923 120.500 -0.229 0.000 2.096 286 R HA -0.105 4.235 4.340 -0.000 0.000 0.235 286 R C 2.259 178.485 176.300 -0.122 0.000 1.127 286 R CA 1.581 57.564 56.100 -0.195 0.000 0.968 286 R CB -0.048 30.142 30.300 -0.184 0.000 0.861 286 R HN 0.812 nan 8.270 nan 0.000 0.440 287 D N 0.277 120.635 120.400 -0.070 0.000 2.178 287 D HA -0.117 4.523 4.640 -0.000 0.000 0.201 287 D C 1.773 178.031 176.300 -0.069 0.000 0.980 287 D CA 0.977 54.955 54.000 -0.037 0.000 0.842 287 D CB -0.344 40.464 40.800 0.014 0.000 0.948 287 D HN 0.080 nan 8.370 nan 0.000 0.472 288 V N 0.827 120.702 119.914 -0.065 0.000 2.346 288 V HA -0.165 3.955 4.120 -0.000 0.000 0.244 288 V C 2.921 178.964 176.094 -0.084 0.000 1.037 288 V CA 0.979 63.257 62.300 -0.038 0.000 1.029 288 V CB -0.173 31.663 31.823 0.023 0.000 0.663 288 V HN 0.090 nan 8.190 nan 0.000 0.454 289 V N 0.559 120.401 119.914 -0.120 0.000 2.407 289 V HA -0.232 3.888 4.120 -0.000 0.000 0.248 289 V C 2.716 178.757 176.094 -0.088 0.000 1.055 289 V CA 1.925 64.161 62.300 -0.107 0.000 1.049 289 V CB -1.170 30.566 31.823 -0.145 0.000 0.662 289 V HN 0.540 nan 8.190 nan 0.000 0.455 290 A N 0.010 122.767 122.820 -0.106 0.000 1.902 290 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 290 A C 2.412 179.907 177.584 -0.148 0.000 1.181 290 A CA 1.833 53.809 52.037 -0.100 0.000 0.623 290 A CB -0.478 18.473 19.000 -0.083 0.000 0.818 290 A HN 0.491 nan 8.150 nan 0.000 0.443 291 R N -0.364 120.020 120.500 -0.194 0.000 2.092 291 R HA -0.055 4.285 4.340 -0.000 0.000 0.231 291 R C 2.519 178.760 176.300 -0.099 0.000 1.119 291 R CA 1.409 57.394 56.100 -0.192 0.000 0.970 291 R CB -0.357 29.834 30.300 -0.182 0.000 0.864 291 R HN 0.515 nan 8.270 nan 0.000 0.440 292 S N 1.088 116.636 115.700 -0.253 0.000 2.370 292 S HA -0.123 4.347 4.470 -0.000 0.000 0.226 292 S C 1.951 176.314 174.600 -0.395 0.000 1.033 292 S CA 1.150 58.959 58.200 -0.651 0.000 1.011 292 S CB -0.177 62.618 63.200 -0.674 0.000 0.852 292 S HN 0.242 nan 8.310 nan 0.000 0.457 293 I N 1.032 121.531 120.570 -0.118 0.000 2.252 293 I HA -0.155 4.015 4.170 -0.000 0.000 0.245 293 I C 2.215 178.261 176.117 -0.117 0.000 1.102 293 I CA 0.936 62.183 61.300 -0.088 0.000 1.385 293 I CB -0.307 37.727 38.000 0.057 0.000 1.064 293 I HN 0.286 nan 8.210 nan 0.000 0.414 294 M N 0.092 119.671 119.600 -0.035 0.000 2.229 294 M HA -0.093 4.387 4.480 -0.000 0.000 0.264 294 M C 2.350 178.691 176.300 0.069 0.000 1.063 294 M CA 1.639 56.974 55.300 0.059 0.000 1.114 294 M CB -0.816 31.891 32.600 0.178 0.000 1.387 294 M HN 0.228 nan 8.290 nan 0.000 0.420 295 I N -0.285 120.312 120.570 0.045 0.000 2.353 295 I HA -0.230 3.940 4.170 -0.000 0.000 0.248 295 I C 2.357 178.446 176.117 -0.046 0.000 1.119 295 I CA 0.823 62.131 61.300 0.012 0.000 1.417 295 I CB -0.361 37.680 38.000 0.068 0.000 1.078 295 I HN 0.235 nan 8.210 nan 0.000 0.421 296 E N 1.061 121.168 120.200 -0.155 0.000 2.058 296 E HA -0.191 4.159 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 1.413 57.682 56.400 -0.219 0.000 0.801 296 E CB -0.234 29.131 29.700 -0.558 0.000 0.746 296 E HN 0.527 nan 8.360 nan 0.000 0.450 297 I N 0.442 120.934 120.570 -0.130 0.000 2.202 297 I HA -0.228 3.942 4.170 -0.000 0.000 0.242 297 I C 2.769 178.849 176.117 -0.062 0.000 1.091 297 I CA 0.888 62.135 61.300 -0.088 0.000 1.368 297 I CB -0.289 37.677 38.000 -0.057 0.000 1.058 297 I HN 0.007 nan 8.210 nan 0.000 0.410 298 R N 1.068 121.538 120.500 -0.050 0.000 2.159 298 R HA -0.157 4.183 4.340 -0.000 0.000 0.237 298 R C 1.093 177.357 176.300 -0.061 0.000 1.131 298 R CA 1.293 57.359 56.100 -0.056 0.000 0.982 298 R CB 0.040 30.297 30.300 -0.071 0.000 0.868 298 R HN 0.440 nan 8.270 nan 0.000 0.453 299 E N -1.231 118.937 120.200 -0.054 0.000 2.437 299 E HA 0.129 4.479 4.350 -0.000 0.000 0.195 299 E C 0.282 176.864 176.600 -0.029 0.000 1.029 299 E CA 0.274 56.649 56.400 -0.041 0.000 0.948 299 E CB 0.984 30.668 29.700 -0.026 0.000 1.082 299 E HN 0.529 nan 8.360 nan 0.000 0.456 300 G N 2.147 110.923 108.800 -0.040 0.000 2.153 300 G HA2 -0.357 3.602 3.960 -0.000 0.000 0.252 300 G HA3 -0.357 3.602 3.960 -0.000 0.000 0.252 300 G C 0.849 175.723 174.900 -0.043 0.000 0.994 300 G CA 0.236 45.314 45.100 -0.037 0.000 0.698 300 G HN 0.308 nan 8.290 nan 0.000 0.521 301 R N 0.089 120.555 120.500 -0.057 0.000 2.362 301 R HA 0.299 4.639 4.340 -0.000 0.000 0.227 301 R C 1.592 177.801 176.300 -0.151 0.000 0.905 301 R CA 0.320 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 0.364 nan 8.270 nan 0.000 0.516 302 G N 0.327 109.038 108.800 -0.148 0.000 2.507 302 G HA2 0.248 4.208 3.960 -0.000 0.000 0.271 302 G HA3 0.248 4.208 3.960 -0.000 0.000 0.271 302 G C -0.067 174.702 174.900 -0.218 0.000 1.189 302 G CA -0.517 44.476 45.100 -0.179 0.000 0.859 302 G HN 0.136 nan 8.290 nan 0.000 0.542 303 C N 0.492 119.585 119.300 -0.344 0.000 2.443 303 C HA 0.595 5.055 4.460 -0.000 0.000 0.369 303 C C 0.392 175.124 174.990 -0.430 0.000 1.241 303 C CA -0.489 58.290 59.018 -0.399 0.000 2.413 303 C CB 1.174 28.635 27.740 -0.464 0.000 2.451 303 C HN 0.788 nan 8.230 nan 0.000 0.595 304 D N -1.457 118.884 120.400 -0.099 0.000 2.687 304 D HA 0.749 5.389 4.640 -0.000 0.000 0.264 304 D C 0.124 176.631 176.300 0.344 0.000 1.091 304 D CA 0.668 54.735 54.000 0.112 0.000 1.123 304 D CB 2.193 43.026 40.800 0.055 0.000 1.407 304 D HN 0.948 nan 8.370 nan 0.000 0.591 305 G N -0.374 108.585 108.800 0.266 0.000 2.339 305 G HA2 0.020 3.980 3.960 -0.000 0.000 0.275 305 G HA3 0.020 3.980 3.960 -0.000 0.000 0.275 305 G C -2.281 172.572 174.900 -0.078 0.000 1.323 305 G CA -0.279 44.897 45.100 0.125 0.000 0.927 305 G HN 0.362 nan 8.290 nan 0.000 0.486 306 P HA 0.024 nan 4.420 nan 0.000 0.218 306 P C 1.344 178.422 177.300 -0.369 0.000 1.148 306 P CA 1.445 64.228 63.100 -0.529 0.000 0.822 306 P CB 0.029 31.208 31.700 -0.869 0.000 0.784 307 W N -0.233 121.072 121.300 0.009 0.000 2.678 307 W HA 0.319 4.979 4.660 -0.000 0.000 0.256 307 W C 1.023 177.571 176.519 0.049 0.000 1.280 307 W CA 0.935 58.269 57.345 -0.018 0.000 1.345 307 W CB -0.950 28.422 29.460 -0.147 0.000 1.118 307 W HN 0.017 nan 8.180 nan 0.000 0.629 308 G N 0.392 109.379 108.800 0.311 0.000 2.685 308 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.387 308 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.387 308 G C -2.956 172.158 174.900 0.357 0.000 1.324 308 G CA -1.410 43.840 45.100 0.249 0.000 0.878 308 G HN -0.274 nan 8.290 nan 0.000 0.527 309 P HA 0.249 nan 4.420 nan 0.000 0.264 309 P C 0.061 177.476 177.300 0.190 0.000 1.183 309 P CA 1.054 64.225 63.100 0.118 0.000 0.763 309 P CB 0.299 32.031 31.700 0.053 0.000 0.807 310 H N 0.443 119.545 119.070 0.052 0.000 2.887 310 H HA 0.740 5.296 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 -1.208 54.858 56.048 0.031 0.000 1.137 310 H CB 0.576 30.352 29.762 0.023 0.000 1.824 310 H HN 0.421 nan 8.280 nan 0.000 0.520 311 A N 0.994 123.911 122.820 0.162 0.000 2.384 311 A HA 0.548 4.868 4.320 -0.000 0.000 0.312 311 A C -0.627 177.090 177.584 0.221 0.000 1.113 311 A CA -1.004 51.119 52.037 0.144 0.000 0.779 311 A CB 1.605 20.727 19.000 0.205 0.000 1.307 311 A HN 0.504 nan 8.150 nan 0.000 0.436 312 K N 0.918 121.421 120.400 0.172 0.000 2.183 312 K HA 0.374 4.694 4.320 -0.000 0.000 0.274 312 K C -1.491 175.135 176.600 0.044 0.000 1.009 312 K CA -0.556 55.788 56.287 0.095 0.000 0.888 312 K CB 1.688 34.235 32.500 0.078 0.000 1.078 312 K HN 0.469 nan 8.250 nan 0.000 0.459 313 L N 4.010 125.217 121.223 -0.026 0.000 2.283 313 L HA 0.237 4.577 4.340 -0.000 0.000 0.281 313 L C -0.179 176.622 176.870 -0.116 0.000 1.033 313 L CA -0.158 54.644 54.840 -0.064 0.000 0.848 313 L CB 0.525 42.545 42.059 -0.064 0.000 1.226 313 L HN 0.414 nan 8.230 nan 0.000 0.429 314 K N 4.509 124.797 120.400 -0.187 0.000 2.297 314 K HA 0.351 4.671 4.320 -0.000 0.000 0.286 314 K C 0.040 176.505 176.600 -0.225 0.000 1.053 314 K CA -0.100 56.051 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 0.838 nan 8.250 nan 0.000 0.475 315 L N 2.942 124.056 121.223 -0.180 0.000 3.227 315 L HA 0.064 4.404 4.340 -0.000 0.000 0.287 315 L C 1.132 177.806 176.870 -0.327 0.000 1.161 315 L CA 0.005 54.673 54.840 -0.286 0.000 1.048 315 L CB 0.217 42.165 42.059 -0.185 0.000 1.541 315 L HN 0.728 nan 8.230 nan 0.000 0.590 316 D N -0.179 120.133 120.400 -0.146 0.000 2.221 316 D HA -0.290 4.350 4.640 -0.000 0.000 0.204 316 D C 1.890 178.148 176.300 -0.071 0.000 0.982 316 D CA 1.577 55.529 54.000 -0.081 0.000 0.857 316 D CB -0.357 40.437 40.800 -0.010 0.000 0.934 316 D HN 0.543 nan 8.370 nan 0.000 0.475 317 H N 0.417 119.462 119.070 -0.043 0.000 2.559 317 H HA 0.061 4.617 4.556 -0.000 0.000 0.273 317 H C 1.764 177.093 175.328 0.002 0.000 1.000 317 H CA 0.410 56.454 56.048 -0.007 0.000 1.195 317 H CB -0.363 29.411 29.762 0.020 0.000 1.368 317 H HN 0.283 nan 8.280 nan 0.000 0.592 318 L N 0.501 121.505 121.223 -0.365 0.000 2.313 318 L HA 0.158 4.498 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 0.593 55.305 54.840 -0.214 0.000 0.809 318 L CB -0.204 41.699 42.059 -0.260 0.000 0.933 318 L HN 0.561 nan 8.230 nan 0.000 0.449 319 G N 0.450 109.206 108.800 -0.074 0.000 2.692 319 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.686 319 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.686 319 G C 0.241 175.116 174.900 -0.041 0.000 1.243 319 G CA 0.015 45.093 45.100 -0.036 0.000 0.782 319 G HN 0.112 nan 8.290 nan 0.000 0.625 320 K N 0.269 120.652 120.400 -0.028 0.000 2.032 320 K HA -0.163 4.157 4.320 -0.000 0.000 0.209 320 K C 2.153 178.736 176.600 -0.028 0.000 1.048 320 K CA 2.172 58.443 56.287 -0.027 0.000 0.927 320 K CB -0.170 32.319 32.500 -0.018 0.000 0.712 320 K HN 0.672 nan 8.250 nan 0.000 0.441 321 E N 0.090 120.276 120.200 -0.024 0.000 2.023 321 E HA -0.190 4.160 4.350 -0.000 0.000 0.196 321 E C 1.915 178.495 176.600 -0.033 0.000 1.003 321 E CA 1.784 58.169 56.400 -0.025 0.000 0.809 321 E CB 0.006 29.695 29.700 -0.019 0.000 0.755 321 E HN 0.166 nan 8.360 nan 0.000 0.449 322 V N 1.336 121.229 119.914 -0.034 0.000 2.407 322 V HA -0.266 3.853 4.120 -0.000 0.000 0.248 322 V C 2.476 178.543 176.094 -0.044 0.000 1.055 322 V CA 1.522 63.799 62.300 -0.039 0.000 1.049 322 V CB -0.442 31.361 31.823 -0.033 0.000 0.662 322 V HN 0.343 nan 8.190 nan 0.000 0.455 323 L N -0.435 120.759 121.223 -0.048 0.000 2.017 323 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 323 L C 2.550 179.398 176.870 -0.037 0.000 1.073 323 L CA 1.762 56.573 54.840 -0.047 0.000 0.745 323 L CB -0.563 41.463 42.059 -0.055 0.000 0.894 323 L HN 0.372 nan 8.230 nan 0.000 0.432 324 E N -1.089 119.090 120.200 -0.035 0.000 2.274 324 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 324 E C 2.236 178.814 176.600 -0.036 0.000 0.996 324 E CA 1.028 57.409 56.400 -0.031 0.000 0.840 324 E CB 0.128 29.811 29.700 -0.027 0.000 0.772 324 E HN 0.297 nan 8.360 nan 0.000 0.491 325 S N 0.035 115.709 115.700 -0.044 0.000 2.387 325 S HA -0.001 4.469 4.470 -0.000 0.000 0.221 325 S C 1.830 176.388 174.600 -0.071 0.000 1.041 325 S CA 0.390 58.555 58.200 -0.059 0.000 0.959 325 S CB 0.247 63.406 63.200 -0.069 0.000 0.843 325 S HN 0.048 nan 8.310 nan 0.000 0.488 326 R N 0.377 120.837 120.500 -0.066 0.000 2.206 326 R HA 0.389 4.729 4.340 -0.000 0.000 0.198 326 R C 0.265 176.562 176.300 -0.005 0.000 0.986 326 R CA 0.363 56.429 56.100 -0.057 0.000 1.029 326 R CB -0.352 29.919 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 0.275 4.615 4.340 -0.000 0.000 0.290 327 L C -1.770 175.095 176.870 -0.009 0.000 1.346 327 L CA -1.019 53.821 54.840 0.001 0.000 0.779 327 L CB 1.742 43.800 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 1.614 178.908 177.300 -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 1.611 110.407 108.800 -0.007 0.000 2.446 329 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.217 329 G HA3 -0.250 3.710 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 1.327 46.427 45.100 -0.000 0.000 0.771 329 G HN 0.394 nan 8.290 nan 0.000 0.551 330 I N -1.063 119.513 120.570 0.011 0.000 2.830 330 I HA 0.149 4.319 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 0.643 61.949 61.300 0.011 0.000 1.480 330 I CB -0.291 37.707 38.000 -0.003 0.000 1.095 330 I HN 0.072 nan 8.210 nan 0.000 0.455 331 L N 0.552 121.778 121.223 0.006 0.000 2.027 331 L HA -0.135 4.204 4.340 -0.000 0.000 0.206 331 L C 2.631 179.514 176.870 0.021 0.000 1.074 331 L CA 1.680 56.523 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 0.052 120.267 120.200 0.026 0.000 2.072 332 E HA -0.176 4.174 4.350 -0.000 0.000 0.191 332 E C 2.356 179.006 176.600 0.083 0.000 0.985 332 E CA 0.890 57.312 56.400 0.037 0.000 0.801 332 E CB -0.041 29.676 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 -0.203 4.137 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 1.104 56.089 54.840 0.242 0.000 0.745 333 L CB -0.495 41.656 42.059 0.153 0.000 0.894 333 L HN 0.148 nan 8.230 nan 0.000 0.432 334 S N -0.190 115.579 115.700 0.116 0.000 2.368 334 S HA -0.157 4.313 4.470 -0.000 0.000 0.224 334 S C 2.116 176.775 174.600 0.099 0.000 1.029 334 S CA 1.169 59.417 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 0.314 nan 8.310 nan 0.000 0.462 335 R N -0.119 120.431 120.500 0.083 0.000 2.115 335 R HA 0.004 4.344 4.340 -0.000 0.000 0.230 335 R C 2.351 178.724 176.300 0.122 0.000 1.111 335 R CA 1.794 57.949 56.100 0.093 0.000 0.976 335 R CB -0.542 29.786 30.300 0.046 0.000 0.870 335 R HN 0.382 nan 8.270 nan 0.000 0.445 336 T N -0.187 114.388 114.554 0.034 0.000 2.852 336 T HA 0.017 4.367 4.350 -0.000 0.000 0.256 336 T C 1.002 175.521 174.700 -0.302 0.000 1.038 336 T CA 1.025 63.026 62.100 -0.165 0.000 1.141 336 T CB -0.008 68.618 68.868 -0.403 0.000 0.869 336 T HN 0.090 nan 8.240 nan 0.000 0.439 337 F N 0.244 120.212 119.950 0.031 0.000 2.721 337 F HA 0.560 5.087 4.527 -0.000 0.000 0.301 337 F C 1.845 177.616 175.800 -0.048 0.000 1.096 337 F CA -0.302 57.681 58.000 -0.027 0.000 1.308 337 F CB 0.305 39.306 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 0.129 0.000 2.498 338 A HA 0.261 4.581 4.320 -0.000 0.000 0.238 338 A C 0.178 177.950 177.584 0.313 0.000 1.225 338 A CA -0.070 52.087 52.037 0.199 0.000 0.978 338 A CB -0.347 18.678 19.000 0.041 0.000 1.142 338 A HN 0.276 nan 8.150 nan 0.000 0.552 339 H N -1.012 118.165 119.070 0.177 0.000 2.741 339 H HA -0.139 4.417 4.556 -0.000 0.000 0.305 339 H C -0.555 174.862 175.328 0.148 0.000 1.169 339 H CA 0.814 56.942 56.048 0.132 0.000 1.144 339 H CB -2.373 27.463 29.762 0.124 0.000 1.397 339 H HN 0.250 nan 8.280 nan 0.000 0.409 340 V N 0.731 120.771 119.914 0.210 0.000 2.531 340 V HA 0.191 4.311 4.120 -0.000 0.000 0.301 340 V C 0.278 176.405 176.094 0.055 0.000 1.034 340 V CA -0.936 61.432 62.300 0.113 0.000 0.865 340 V CB 2.485 34.316 31.823 0.014 0.000 0.995 340 V HN 0.237 nan 8.190 nan 0.000 0.424 341 D N 6.585 127.010 120.400 0.040 0.000 2.380 341 D HA 0.361 5.001 4.640 -0.000 0.000 0.230 341 D C -1.674 174.623 176.300 -0.005 0.000 1.154 341 D CA -2.128 51.882 54.000 0.016 0.000 0.859 341 D CB 2.085 42.894 40.800 0.016 0.000 1.045 341 D HN 0.178 nan 8.370 nan 0.000 0.495 342 P HA -0.135 nan 4.420 nan 0.000 0.221 342 P C 1.338 178.611 177.300 -0.045 0.000 1.145 342 P CA 0.470 63.544 63.100 -0.043 0.000 0.795 342 P CB 0.355 32.026 31.700 -0.047 0.000 0.775 343 V N -0.320 119.575 119.914 -0.031 0.000 2.809 343 V HA -0.150 3.970 4.120 -0.000 0.000 0.256 343 V C 1.969 178.052 176.094 -0.019 0.000 1.080 343 V CA 1.656 63.938 62.300 -0.030 0.000 1.102 343 V CB -0.768 31.042 31.823 -0.021 0.000 0.705 343 V HN 0.225 nan 8.190 nan 0.000 0.475 344 K N -0.558 119.836 120.400 -0.010 0.000 2.424 344 K HA 0.293 4.613 4.320 -0.000 0.000 0.198 344 K C 0.650 177.254 176.600 0.005 0.000 1.190 344 K CA 0.080 56.368 56.287 0.003 0.000 0.935 344 K CB 1.407 33.913 32.500 0.011 0.000 1.087 344 K HN 0.443 nan 8.250 nan 0.000 0.524 345 E N 1.544 121.741 120.200 -0.004 0.000 2.340 345 E HA 0.306 4.655 4.350 -0.000 0.000 0.273 345 E C -2.861 173.713 176.600 -0.042 0.000 0.891 345 E CA -2.475 53.920 56.400 -0.007 0.000 0.757 345 E CB 2.605 32.313 29.700 0.013 0.000 1.231 345 E HN -0.246 nan 8.360 nan 0.000 0.439 346 P HA 0.098 nan 4.420 nan 0.000 0.269 346 P C -0.685 176.527 177.300 -0.146 0.000 1.215 346 P CA 0.236 63.284 63.100 -0.086 0.000 0.780 346 P CB 0.432 32.098 31.700 -0.057 0.000 0.898 347 I N 3.670 124.146 120.570 -0.156 0.000 2.365 347 I HA 0.229 4.399 4.170 -0.000 0.000 0.291 347 I C -2.091 173.849 176.117 -0.295 0.000 1.004 347 I CA -2.545 58.620 61.300 -0.224 0.000 1.311 347 I CB 1.118 39.028 38.000 -0.150 0.000 1.401 347 I HN 0.108 nan 8.210 nan 0.000 0.491 348 P HA 0.115 nan 4.420 nan 0.000 0.275 348 P C -0.728 176.370 177.300 -0.336 0.000 1.276 348 P CA -0.085 62.592 63.100 -0.704 0.000 0.782 348 P CB 0.555 31.300 31.700 -1.591 0.000 0.851 349 V N 2.509 122.367 119.914 -0.093 0.000 2.914 349 V HA 0.738 4.858 4.120 -0.000 0.000 0.314 349 V C -0.611 175.525 176.094 0.070 0.000 1.084 349 V CA -1.134 61.157 62.300 -0.014 0.000 0.963 349 V CB 2.658 34.480 31.823 -0.002 0.000 1.025 349 V HN 0.419 nan 8.190 nan 0.000 0.432 350 I N 2.008 122.617 120.570 0.065 0.000 2.722 350 I HA 0.564 4.734 4.170 -0.000 0.000 0.292 350 I C -2.872 173.292 176.117 0.079 0.000 1.267 350 I CA -2.267 59.081 61.300 0.080 0.000 1.036 350 I CB 3.200 41.256 38.000 0.093 0.000 1.281 350 I HN 0.550 nan 8.210 nan 0.000 0.423 351 P HA 0.053 nan 4.420 nan 0.000 0.260 351 P C -1.335 176.066 177.300 0.167 0.000 1.172 351 P CA 0.501 63.663 63.100 0.102 0.000 0.760 351 P CB 0.291 32.007 31.700 0.026 0.000 0.773 352 T N 2.602 117.291 114.554 0.225 0.000 2.916 352 T HA 0.176 4.526 4.350 -0.000 0.000 0.298 352 T C -0.486 174.299 174.700 0.142 0.000 1.031 352 T CA -0.402 61.819 62.100 0.202 0.000 0.993 352 T CB 0.971 69.898 68.868 0.098 0.000 1.045 352 T HN 0.425 nan 8.240 nan 0.000 0.454 353 C N 3.529 122.773 119.300 -0.093 0.000 2.437 353 C HA 0.103 4.563 4.460 -0.000 0.000 0.399 353 C C 1.439 176.336 174.990 -0.156 0.000 1.478 353 C CA 1.031 59.669 59.018 -0.633 0.000 1.538 353 C CB -1.358 25.846 27.740 -0.893 0.000 2.506 353 C HN 1.151 nan 8.230 nan 0.000 0.603 354 H N 2.449 121.422 119.070 -0.161 0.000 2.089 354 H HA 0.286 4.842 4.556 -0.000 0.000 0.206 354 H C -0.803 174.629 175.328 0.173 0.000 0.872 354 H CA 0.534 56.615 56.048 0.054 0.000 0.979 354 H CB 0.183 30.039 29.762 0.155 0.000 1.266 354 H HN 0.723 nan 8.280 nan 0.000 0.389 355 Y N 1.160 121.442 120.300 -0.029 0.000 2.492 355 Y HA 0.378 4.927 4.550 -0.000 0.000 0.346 355 Y C -1.161 174.628 175.900 -0.184 0.000 0.997 355 Y CA -1.288 56.730 58.100 -0.137 0.000 1.025 355 Y CB 1.714 40.102 38.460 -0.120 0.000 1.263 355 Y HN 0.178 nan 8.280 nan 0.000 0.454 356 M N 7.266 126.238 119.600 -1.048 0.000 2.069 356 M HA 0.233 4.713 4.480 -0.000 0.000 0.349 356 M C -0.498 175.207 176.300 -0.992 0.000 1.194 356 M CA -0.248 54.235 55.300 -1.363 0.000 1.081 356 M CB 0.883 32.661 32.600 -1.369 0.000 1.500 356 M HN 1.044 nan 8.290 nan 0.000 0.438 357 M N 3.127 122.430 119.600 -0.495 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 -0.071 32.562 32.600 0.055 0.000 1.401 357 M HN 0.750 nan 8.290 nan 0.000 0.448 358 G N -1.100 107.494 108.800 -0.345 0.000 2.588 358 G HA2 0.586 4.546 3.960 -0.000 0.000 0.281 358 G HA3 0.586 4.546 3.960 -0.000 0.000 0.281 358 G C 0.020 174.773 174.900 -0.245 0.000 1.236 358 G CA -0.093 44.861 45.100 -0.244 0.000 0.969 358 G HN 0.526 nan 8.290 nan 0.000 0.504 359 G N -1.665 107.037 108.800 -0.163 0.000 2.356 359 G HA2 0.232 4.192 3.960 -0.000 0.000 0.266 359 G HA3 0.232 4.192 3.960 -0.000 0.000 0.266 359 G C -0.993 173.849 174.900 -0.096 0.000 1.312 359 G CA -0.814 44.204 45.100 -0.137 0.000 0.922 359 G HN 0.737 nan 8.290 nan 0.000 0.480 360 I N 3.316 123.834 120.570 -0.087 0.000 2.436 360 I HA 0.252 4.422 4.170 -0.000 0.000 0.289 360 I C -1.727 174.328 176.117 -0.103 0.000 1.083 360 I CA -1.525 59.728 61.300 -0.078 0.000 1.372 360 I CB 1.309 39.270 38.000 -0.064 0.000 1.408 360 I HN 0.149 nan 8.210 nan 0.000 0.516 361 P HA 0.029 nan 4.420 nan 0.000 0.264 361 P C -0.458 176.757 177.300 -0.141 0.000 1.193 361 P CA 0.152 63.165 63.100 -0.145 0.000 0.763 361 P CB 0.456 32.076 31.700 -0.134 0.000 0.810 362 T N 0.087 114.543 114.554 -0.164 0.000 2.900 362 T HA 0.511 4.861 4.350 -0.000 0.000 0.303 362 T C -0.232 174.370 174.700 -0.162 0.000 1.142 362 T CA -1.073 60.936 62.100 -0.152 0.000 1.007 362 T CB 1.775 70.559 68.868 -0.140 0.000 1.156 362 T HN 0.125 nan 8.240 nan 0.000 0.490 363 K N 0.685 121.005 120.400 -0.132 0.000 2.117 363 K HA 0.496 4.816 4.320 -0.000 0.000 0.240 363 K C 1.269 177.794 176.600 -0.125 0.000 1.031 363 K CA -0.847 55.366 56.287 -0.124 0.000 0.909 363 K CB 0.601 33.037 32.500 -0.106 0.000 1.097 363 K HN 0.325 nan 8.250 nan 0.000 0.492 364 V N 1.077 120.915 119.914 -0.126 0.000 2.568 364 V HA -0.239 3.881 4.120 -0.000 0.000 0.253 364 V C 2.204 178.264 176.094 -0.057 0.000 1.072 364 V CA 2.389 64.638 62.300 -0.086 0.000 1.084 364 V CB -1.046 30.617 31.823 -0.267 0.000 0.676 364 V HN 1.029 nan 8.190 nan 0.000 0.469 365 T N -2.920 111.570 114.554 -0.106 0.000 3.072 365 T HA 0.187 4.537 4.350 -0.000 0.000 0.266 365 T C 1.629 176.418 174.700 0.149 0.000 1.127 365 T CA 1.189 63.272 62.100 -0.028 0.000 1.107 365 T CB 0.371 69.205 68.868 -0.055 0.000 0.910 365 T HN 0.899 nan 8.240 nan 0.000 0.513 366 G N 0.676 109.543 108.800 0.113 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 -0.040 174.970 174.900 0.184 0.000 0.991 366 G CA -0.111 45.097 45.100 0.180 0.000 0.629 366 G HN 0.664 nan 8.290 nan 0.000 0.517 367 Q N 1.086 120.933 119.800 0.078 0.000 2.286 367 Q HA 0.492 4.831 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 0.336 55.962 55.803 -0.295 0.000 0.923 367 Q CB 0.874 29.462 28.738 -0.250 0.000 1.183 367 Q HN 0.828 nan 8.270 nan 0.000 0.383 368 A N 3.825 126.448 122.820 -0.328 0.000 2.407 368 A HA 0.466 4.786 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 -0.302 51.614 52.037 -0.203 0.000 0.785 368 A CB 0.411 19.305 19.000 -0.176 0.000 1.020 368 A HN 0.707 nan 8.150 nan 0.000 0.489 369 L N 0.815 121.957 121.223 -0.134 0.000 2.354 369 L HA 0.703 5.043 4.340 -0.000 0.000 0.269 369 L C 0.414 177.230 176.870 -0.091 0.000 1.005 369 L CA -0.429 54.343 54.840 -0.113 0.000 0.819 369 L CB 2.383 44.378 42.059 -0.107 0.000 1.311 369 L HN 0.848 nan 8.230 nan 0.000 0.423 370 T N 0.763 115.270 114.554 -0.079 0.000 2.716 370 T HA 0.737 5.087 4.350 -0.000 0.000 0.286 370 T C -1.476 173.191 174.700 -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 0.426 nan 8.240 nan 0.000 0.525 371 V N 1.937 121.820 119.914 -0.051 0.000 2.680 371 V HA 0.795 4.914 4.120 -0.000 0.000 0.309 371 V C -0.209 175.860 176.094 -0.043 0.000 1.052 371 V CA -1.162 61.111 62.300 -0.044 0.000 0.908 371 V CB 1.411 33.210 31.823 -0.039 0.000 1.001 371 V HN 1.024 nan 8.190 nan 0.000 0.431 372 N N 2.206 120.884 118.700 -0.037 0.000 2.418 372 N HA 0.205 4.945 4.740 -0.000 0.000 0.283 372 N C 0.910 176.401 175.510 -0.032 0.000 1.267 372 N CA -0.060 52.970 53.050 -0.034 0.000 0.975 372 N CB 0.079 38.548 38.487 -0.029 0.000 1.167 372 N HN 0.858 nan 8.380 nan 0.000 0.581 373 E N -0.536 119.647 120.200 -0.029 0.000 2.267 373 E HA -0.217 4.133 4.350 -0.000 0.000 0.197 373 E C 0.614 177.200 176.600 -0.024 0.000 0.998 373 E CA 1.153 57.537 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 -0.080 120.307 120.400 -0.022 0.000 2.400 374 K HA 0.112 4.432 4.320 -0.000 0.000 0.194 374 K C 1.121 177.710 176.600 -0.018 0.000 1.033 374 K CA 0.475 56.751 56.287 -0.018 0.000 1.021 374 K CB 0.550 33.040 32.500 -0.016 0.000 0.808 374 K HN 0.336 nan 8.250 nan 0.000 0.505 375 G N 2.005 110.792 108.800 -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 -0.396 174.493 174.900 -0.018 0.000 0.982 375 G CA -0.178 44.910 45.100 -0.020 0.000 0.650 375 G HN 0.359 nan 8.290 nan 0.000 0.527 376 E N 0.939 121.127 120.200 -0.020 0.000 2.343 376 E HA 0.392 4.742 4.350 -0.000 0.000 0.269 376 E C -0.554 176.030 176.600 -0.026 0.000 1.047 376 E CA -0.682 55.706 56.400 -0.020 0.000 0.874 376 E CB 0.683 30.372 29.700 -0.019 0.000 1.033 376 E HN 0.202 nan 8.360 nan 0.000 0.409 377 D N 1.559 121.943 120.400 -0.027 0.000 2.390 377 D HA 0.160 4.800 4.640 -0.000 0.000 0.249 377 D C -0.627 175.647 176.300 -0.042 0.000 1.144 377 D CA 0.040 54.017 54.000 -0.038 0.000 0.880 377 D CB 1.229 42.005 40.800 -0.040 0.000 1.182 377 D HN 0.166 nan 8.370 nan 0.000 0.451 378 V N 0.361 120.244 119.914 -0.051 0.000 2.760 378 V HA 0.451 4.571 4.120 -0.000 0.000 0.309 378 V C -0.411 175.640 176.094 -0.072 0.000 1.077 378 V CA -0.885 61.383 62.300 -0.054 0.000 0.910 378 V CB 1.836 33.631 31.823 -0.046 0.000 1.008 378 V HN 0.210 nan 8.190 nan 0.000 0.424 379 V N 5.231 125.097 119.914 -0.080 0.000 2.655 379 V HA 0.169 4.289 4.120 -0.000 0.000 0.300 379 V C 0.574 176.598 176.094 -0.117 0.000 1.044 379 V CA -0.034 62.198 62.300 -0.113 0.000 1.095 379 V CB 1.422 33.172 31.823 -0.121 0.000 0.952 379 V HN 0.791 nan 8.190 nan 0.000 0.485 380 V N 8.138 127.963 119.914 -0.148 0.000 2.370 380 V HA 0.173 4.293 4.120 -0.000 0.000 0.257 380 V C -2.079 173.915 176.094 -0.166 0.000 1.064 380 V CA -1.568 60.651 62.300 -0.134 0.000 0.975 380 V CB 0.615 32.361 31.823 -0.128 0.000 1.067 380 V HN 0.802 nan 8.190 nan 0.000 0.485 381 P HA 0.188 nan 4.420 nan 0.000 0.260 381 P C 1.057 178.320 177.300 -0.062 0.000 1.185 381 P CA 1.333 64.384 63.100 -0.083 0.000 0.763 381 P CB 0.494 32.174 31.700 -0.033 0.000 0.776 382 G N 1.967 110.733 108.800 -0.056 0.000 2.213 382 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.236 382 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.236 382 G C -0.358 174.592 174.900 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 0.889 122.000 121.223 -0.187 0.000 2.317 383 L HA 0.917 5.257 4.340 -0.000 0.000 0.281 383 L C -0.590 176.009 176.870 -0.452 0.000 1.024 383 L CA -1.288 53.468 54.840 -0.140 0.000 0.810 383 L CB 0.903 42.896 42.059 -0.110 0.000 1.240 383 L HN 0.069 nan 8.230 nan 0.000 0.427 384 F N 2.967 122.905 119.950 -0.020 0.000 2.650 384 F HA 0.888 5.415 4.527 -0.000 0.000 0.320 384 F C -0.163 175.618 175.800 -0.033 0.000 1.091 384 F CA -0.551 57.435 58.000 -0.024 0.000 0.962 384 F CB 2.106 41.099 39.000 -0.013 0.000 1.363 384 F HN 0.579 nan 8.300 nan 0.000 0.482 385 A N 0.946 123.860 122.820 0.157 0.000 2.513 385 A HA 0.764 5.083 4.320 -0.000 0.000 0.296 385 A C -1.799 175.814 177.584 0.048 0.000 1.052 385 A CA -0.704 51.370 52.037 0.061 0.000 0.714 385 A CB 1.349 20.347 19.000 -0.004 0.000 1.279 385 A HN 1.246 nan 8.150 nan 0.000 0.397 386 V N -0.298 119.642 119.914 0.042 0.000 2.971 386 V HA 1.017 5.137 4.120 -0.000 0.000 0.309 386 V C 0.440 176.566 176.094 0.053 0.000 1.130 386 V CA 0.225 62.560 62.300 0.059 0.000 0.964 386 V CB 0.845 32.727 31.823 0.098 0.000 1.029 386 V HN 2.960 nan 8.190 nan 0.000 0.427 387 G N 2.345 111.196 108.800 0.085 0.000 2.482 387 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.214 387 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.214 387 G C 0.441 175.394 174.900 0.088 0.000 1.271 387 G CA 0.597 45.761 45.100 0.106 0.000 0.944 387 G HN 1.429 nan 8.290 nan 0.000 0.568 388 E N -0.613 119.625 120.200 0.063 0.000 2.478 388 E HA 0.032 4.382 4.350 -0.000 0.000 0.198 388 E C 2.274 178.781 176.600 -0.155 0.000 1.046 388 E CA 1.008 57.374 56.400 -0.056 0.000 0.870 388 E CB -0.079 29.532 29.700 -0.147 0.000 0.818 388 E HN 0.438 nan 8.360 nan 0.000 0.527 389 I N 0.363 120.881 120.570 -0.086 0.000 3.059 389 I HA 0.118 4.288 4.170 -0.000 0.000 0.270 389 I C 0.511 176.575 176.117 -0.090 0.000 1.238 389 I CA 0.148 61.390 61.300 -0.096 0.000 1.478 389 I CB -0.033 37.930 38.000 -0.062 0.000 1.097 389 I HN 0.030 nan 8.210 nan 0.000 0.455 390 A N -0.485 122.293 122.820 -0.070 0.000 2.279 390 A HA 0.526 4.846 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 0.351 nan 8.150 nan 0.000 0.493 391 C N 3.089 122.312 119.300 -0.128 0.000 2.814 391 C HA 0.458 4.918 4.460 -0.000 0.000 0.269 391 C C 1.322 176.191 174.990 -0.201 0.000 1.090 391 C CA -0.411 58.527 59.018 -0.133 0.000 1.492 391 C CB -1.288 26.374 27.740 -0.129 0.000 1.825 391 C HN 0.655 nan 8.230 nan 0.000 0.442 392 V N 3.205 122.969 119.914 -0.250 0.000 2.295 392 V HA -0.025 4.095 4.120 -0.000 0.000 0.246 392 V C 1.446 177.391 176.094 -0.248 0.000 1.049 392 V CA 1.951 64.048 62.300 -0.338 0.000 1.024 392 V CB -0.327 31.138 31.823 -0.597 0.000 0.648 392 V HN 0.822 nan 8.190 nan 0.000 0.447 393 S N -0.585 115.007 115.700 -0.181 0.000 2.454 393 S HA 0.413 4.883 4.470 -0.000 0.000 0.306 393 S C 0.207 174.741 174.600 -0.111 0.000 1.100 393 S CA -0.262 57.857 58.200 -0.136 0.000 1.087 393 S CB 1.890 65.076 63.200 -0.023 0.000 1.019 393 S HN 0.265 nan 8.310 nan 0.000 0.480 394 V N 2.802 122.554 119.914 -0.271 0.000 3.578 394 V HA 0.435 4.555 4.120 -0.000 0.000 0.290 394 V C 0.856 176.738 176.094 -0.353 0.000 1.376 394 V CA 0.221 62.345 62.300 -0.293 0.000 1.083 394 V CB -0.750 30.895 31.823 -0.296 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 5.008 4.556 -0.000 0.000 0.258 395 H C 1.836 177.199 175.328 0.058 0.000 1.015 395 H CA 0.445 56.526 56.048 0.054 0.000 1.210 395 H CB 0.869 30.673 29.762 0.069 0.000 1.481 395 H HN 0.509 nan 8.280 nan 0.000 0.492 396 G N 1.600 110.497 108.800 0.163 0.000 2.629 396 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.313 396 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.313 396 G C 1.209 176.187 174.900 0.130 0.000 1.217 396 G CA 1.541 46.724 45.100 0.139 0.000 0.994 396 G HN 0.596 nan 8.290 nan 0.000 0.549 397 A N 0.151 123.030 122.820 0.099 0.000 2.308 397 A HA 0.572 4.892 4.320 -0.000 0.000 0.217 397 A C 0.746 178.392 177.584 0.104 0.000 1.216 397 A CA 1.567 53.664 52.037 0.099 0.000 0.864 397 A CB -0.149 18.907 19.000 0.092 0.000 0.902 397 A HN 1.734 nan 8.150 nan 0.000 0.499 398 N N -0.726 118.034 118.700 0.101 0.000 2.839 398 N HA 0.159 4.899 4.740 -0.000 0.000 0.258 398 N C -1.006 174.551 175.510 0.078 0.000 1.150 398 N CA -0.394 52.708 53.050 0.086 0.000 0.957 398 N CB 0.873 39.402 38.487 0.069 0.000 1.560 398 N HN 0.243 nan 8.380 nan 0.000 0.588 399 R N 3.710 124.234 120.500 0.041 0.000 2.441 399 R HA 0.429 4.769 4.340 -0.000 0.000 0.284 399 R C -0.464 175.825 176.300 -0.019 0.000 1.070 399 R CA -0.384 55.697 56.100 -0.031 0.000 1.047 399 R CB 0.564 30.603 30.300 -0.435 0.000 1.016 399 R HN 0.545 nan 8.270 nan 0.000 0.477 400 L N 2.857 124.108 121.223 0.048 0.000 2.371 400 L HA 0.286 4.626 4.340 -0.000 0.000 0.272 400 L C 1.026 177.947 176.870 0.086 0.000 1.124 400 L CA -0.544 54.343 54.840 0.080 0.000 0.816 400 L CB 1.204 43.349 42.059 0.142 0.000 1.129 400 L HN 0.825 nan 8.230 nan 0.000 0.448 401 G N 0.735 109.645 108.800 0.185 0.000 2.272 401 G HA2 0.347 4.307 3.960 -0.000 0.000 0.247 401 G HA3 0.347 4.307 3.960 -0.000 0.000 0.247 401 G C 0.934 175.905 174.900 0.118 0.000 1.272 401 G CA 0.514 45.826 45.100 0.354 0.000 0.921 401 G HN 1.055 nan 8.290 nan 0.000 0.495 402 G N 2.478 111.250 108.800 -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 1.152 176.031 174.900 -0.035 0.000 0.987 402 G CA 0.523 45.510 45.100 -0.189 0.000 0.635 402 G HN 0.657 nan 8.290 nan 0.000 0.520 403 N N 0.512 119.234 118.700 0.037 0.000 2.446 403 N HA 0.138 4.878 4.740 -0.000 0.000 0.179 403 N C 2.125 177.734 175.510 0.166 0.000 1.054 403 N CA 1.320 54.462 53.050 0.154 0.000 0.905 403 N CB 0.023 38.658 38.487 0.247 0.000 0.973 403 N HN 0.431 nan 8.380 nan 0.000 0.448 404 S N 0.295 115.984 115.700 -0.018 0.000 2.345 404 S HA 0.101 4.571 4.470 -0.000 0.000 0.219 404 S C 1.832 176.496 174.600 0.106 0.000 1.031 404 S CA 0.568 58.755 58.200 -0.022 0.000 0.984 404 S CB -0.192 62.898 63.200 -0.184 0.000 0.874 404 S HN 0.204 nan 8.310 nan 0.000 0.451 405 L N 1.113 122.377 121.223 0.068 0.000 2.079 405 L HA -0.102 4.238 4.340 -0.000 0.000 0.210 405 L C 2.522 179.447 176.870 0.093 0.000 1.081 405 L CA 0.955 55.839 54.840 0.074 0.000 0.752 405 L CB -0.611 41.474 42.059 0.043 0.000 0.896 405 L HN 0.371 nan 8.230 nan 0.000 0.433 406 L N 0.446 121.729 121.223 0.100 0.000 2.017 406 L HA -0.246 4.094 4.340 -0.000 0.000 0.208 406 L C 2.180 179.139 176.870 0.149 0.000 1.073 406 L CA 2.073 56.977 54.840 0.107 0.000 0.745 406 L CB -0.679 41.457 42.059 0.129 0.000 0.894 406 L HN 0.236 nan 8.230 nan 0.000 0.432 407 D N -0.551 119.997 120.400 0.246 0.000 2.104 407 D HA -0.239 4.401 4.640 -0.000 0.000 0.194 407 D C 2.159 178.669 176.300 0.349 0.000 0.994 407 D CA 2.045 56.281 54.000 0.394 0.000 0.830 407 D CB -0.252 40.834 40.800 0.477 0.000 0.959 407 D HN 0.461 nan 8.370 nan 0.000 0.452 408 L N -0.253 121.111 121.223 0.234 0.000 1.990 408 L HA -0.193 4.147 4.340 -0.000 0.000 0.213 408 L C 2.766 179.720 176.870 0.141 0.000 1.072 408 L CA 1.095 56.041 54.840 0.177 0.000 0.755 408 L CB -0.748 41.384 42.059 0.122 0.000 0.889 408 L HN 0.034 nan 8.230 nan 0.000 0.432 409 V N -0.778 119.196 119.914 0.099 0.000 2.307 409 V HA -0.205 3.915 4.120 -0.000 0.000 0.245 409 V C 2.433 178.543 176.094 0.027 0.000 1.045 409 V CA 1.387 63.718 62.300 0.053 0.000 1.024 409 V CB -0.197 31.645 31.823 0.032 0.000 0.651 409 V HN 0.174 nan 8.190 nan 0.000 0.449 410 V N -0.647 119.257 119.914 -0.016 0.000 2.295 410 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 410 V C 2.146 178.154 176.094 -0.143 0.000 1.049 410 V CA 2.242 64.447 62.300 -0.157 0.000 1.024 410 V CB -0.675 30.937 31.823 -0.353 0.000 0.648 410 V HN 0.477 nan 8.190 nan 0.000 0.447 411 F N 0.722 120.750 119.950 0.130 0.000 2.569 411 F HA 0.226 4.753 4.527 0.000 0.000 0.295 411 F C 2.275 178.123 175.800 0.080 0.000 1.115 411 F CA 0.784 58.852 58.000 0.113 0.000 1.450 411 F CB -1.002 38.047 39.000 0.082 0.000 1.107 411 F HN 0.157 nan 8.300 nan 0.000 0.563 412 G N -0.105 108.822 108.800 0.211 0.000 2.402 412 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.216 412 G HA3 -0.233 3.727 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 0.518 45.690 45.100 0.120 0.000 0.777 412 G HN 0.235 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 0.107 4.447 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 1.252 57.374 56.100 0.036 0.000 0.973 413 R CB -0.306 30.000 30.300 0.010 0.000 0.869 413 R HN 0.277 nan 8.270 nan 0.000 0.440 414 A N 0.903 123.802 122.820 0.131 0.000 1.877 414 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 414 A C 2.356 180.079 177.584 0.232 0.000 1.186 414 A CA 1.745 53.918 52.037 0.226 0.000 0.620 414 A CB -0.857 18.294 19.000 0.250 0.000 0.822 414 A HN 0.513 nan 8.150 nan 0.000 0.443 415 A N -0.637 122.286 122.820 0.173 0.000 1.978 415 A HA 0.091 4.411 4.320 -0.000 0.000 0.220 415 A C 2.351 179.944 177.584 0.014 0.000 1.170 415 A CA 2.022 54.125 52.037 0.110 0.000 0.636 415 A CB -1.257 17.790 19.000 0.079 0.000 0.810 415 A HN 0.722 nan 8.150 nan 0.000 0.448 416 G N -0.446 108.354 108.800 -0.000 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 1.528 176.390 174.900 -0.063 0.000 1.176 416 G CA 0.831 45.903 45.100 -0.047 0.000 0.786 416 G HN 0.414 nan 8.290 nan 0.000 0.533 417 L N -0.164 121.009 121.223 -0.083 0.000 2.131 417 L HA -0.034 4.306 4.340 -0.000 0.000 0.210 417 L C 2.068 178.757 176.870 -0.300 0.000 1.092 417 L CA 0.865 55.576 54.840 -0.215 0.000 0.759 417 L CB -0.201 41.670 42.059 -0.312 0.000 0.903 417 L HN 0.299 nan 8.230 nan 0.000 0.435 418 H N -1.609 117.462 119.070 0.003 0.000 2.542 418 H HA 0.088 4.644 4.556 -0.000 0.000 0.283 418 H C 1.699 177.029 175.328 0.004 0.000 1.059 418 H CA -0.092 55.964 56.048 0.013 0.000 1.162 418 H CB 0.837 30.617 29.762 0.030 0.000 1.539 418 H HN 0.183 nan 8.280 nan 0.000 0.543 419 L N 1.028 122.266 121.223 0.025 0.000 2.017 419 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 419 L C 2.459 179.324 176.870 -0.009 0.000 1.073 419 L CA 1.674 56.476 54.840 -0.064 0.000 0.745 419 L CB -0.265 41.697 42.059 -0.161 0.000 0.894 419 L HN 0.140 nan 8.230 nan 0.000 0.432 420 Q N -0.711 119.088 119.800 -0.001 0.000 2.061 420 Q HA -0.253 4.087 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 2.146 57.958 55.803 0.014 0.000 0.846 420 Q CB -0.060 28.679 28.738 0.002 0.000 0.902 420 Q HN 0.624 nan 8.270 nan 0.000 0.421 421 E N -0.504 119.737 120.200 0.068 0.000 2.150 421 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 421 E C 2.060 178.719 176.600 0.099 0.000 0.985 421 E CA 0.928 57.378 56.400 0.084 0.000 0.814 421 E CB 0.129 29.896 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 2.001 176.709 174.600 0.181 0.000 1.026 422 S CA 0.645 58.960 58.200 0.191 0.000 0.981 422 S CB -0.044 63.374 63.200 0.363 0.000 0.818 422 S HN 0.205 nan 8.310 nan 0.000 0.472 423 I N 1.546 122.205 120.570 0.148 0.000 2.286 423 I HA -0.144 4.026 4.170 -0.000 0.000 0.245 423 I C 2.648 178.813 176.117 0.079 0.000 1.104 423 I CA 0.996 62.368 61.300 0.120 0.000 1.397 423 I CB -0.423 37.624 38.000 0.077 0.000 1.072 423 I HN 0.260 nan 8.210 nan 0.000 0.417 424 A N 0.302 123.159 122.820 0.063 0.000 1.969 424 A HA -0.241 4.079 4.320 -0.000 0.000 0.218 424 A C 2.298 179.907 177.584 0.043 0.000 1.169 424 A CA 1.713 53.778 52.037 0.045 0.000 0.635 424 A CB -0.545 18.477 19.000 0.038 0.000 0.810 424 A HN 0.507 nan 8.150 nan 0.000 0.445 425 E N 0.273 120.504 120.200 0.052 0.000 2.106 425 E HA -0.264 4.086 4.350 -0.000 0.000 0.192 425 E C 2.128 178.747 176.600 0.030 0.000 0.984 425 E CA 1.343 57.766 56.400 0.038 0.000 0.806 425 E CB -0.188 29.536 29.700 0.041 0.000 0.750 425 E HN 0.889 nan 8.360 nan 0.000 0.458 426 Q N -0.114 119.712 119.800 0.043 0.000 2.389 426 Q HA 0.134 4.474 4.340 -0.000 0.000 0.204 426 Q C 0.915 176.931 176.000 0.028 0.000 0.944 426 Q CA 0.571 56.391 55.803 0.030 0.000 0.908 426 Q CB 0.233 28.996 28.738 0.041 0.000 1.002 426 Q HN 0.198 nan 8.270 nan 0.000 0.493 427 G N 1.204 110.024 108.800 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 -0.278 174.641 174.900 0.032 0.000 1.439 427 G CA -0.432 44.684 45.100 0.028 0.000 0.879 427 G HN 0.838 nan 8.290 nan 0.000 0.545 428 A N -0.221 122.615 122.820 0.026 0.000 2.520 428 A HA 0.550 4.870 4.320 -0.000 0.000 0.245 428 A C 0.794 178.395 177.584 0.028 0.000 1.072 428 A CA 0.361 52.415 52.037 0.028 0.000 0.761 428 A CB -0.034 18.979 19.000 0.021 0.000 1.004 428 A HN 1.247 nan 8.150 nan 0.000 0.499 429 L N 2.914 124.159 121.223 0.036 0.000 2.289 429 L HA 0.432 4.772 4.340 -0.000 0.000 0.285 429 L C 0.980 177.872 176.870 0.036 0.000 1.049 429 L CA -0.588 54.275 54.840 0.038 0.000 0.804 429 L CB 1.061 43.151 42.059 0.051 0.000 1.195 429 L HN 0.853 nan 8.230 nan 0.000 0.428 430 R N 1.431 121.949 120.500 0.030 0.000 2.643 430 R HA 0.046 4.386 4.340 -0.000 0.000 0.270 430 R C -0.576 175.747 176.300 0.038 0.000 1.061 430 R CA -0.576 55.540 56.100 0.027 0.000 1.107 430 R CB 0.552 30.863 30.300 0.018 0.000 0.999 430 R HN 0.508 nan 8.270 nan 0.000 0.460 431 D N 1.544 121.967 120.400 0.038 0.000 2.423 431 D HA 0.080 4.720 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 0.456 54.488 54.000 0.053 0.000 0.884 431 D CB 1.008 41.836 40.800 0.047 0.000 1.199 431 D HN 0.596 nan 8.370 nan 0.000 0.438 432 A N 1.853 124.705 122.820 0.052 0.000 2.401 432 A HA 0.416 4.735 4.320 -0.000 0.000 0.259 432 A C 0.725 178.290 177.584 -0.032 0.000 1.103 432 A CA -0.507 51.525 52.037 -0.009 0.000 0.789 432 A CB 0.142 19.101 19.000 -0.069 0.000 1.035 432 A HN 0.532 nan 8.150 nan 0.000 0.491 433 S N 1.198 116.873 115.700 -0.041 0.000 2.617 433 S HA 0.135 4.605 4.470 -0.000 0.000 0.259 433 S C 0.909 175.470 174.600 -0.065 0.000 1.301 433 S CA 0.406 58.584 58.200 -0.038 0.000 0.984 433 S CB 0.689 63.872 63.200 -0.028 0.000 0.954 433 S HN 0.815 nan 8.310 nan 0.000 0.572 434 E N 0.265 120.437 120.200 -0.046 0.000 2.204 434 E HA -0.136 4.214 4.350 -0.000 0.000 0.194 434 E C 1.870 178.435 176.600 -0.058 0.000 0.989 434 E CA 1.223 57.592 56.400 -0.052 0.000 0.824 434 E CB -0.229 29.455 29.700 -0.027 0.000 0.756 434 E HN 0.810 nan 8.360 nan 0.000 0.477 435 S N -0.086 115.585 115.700 -0.048 0.000 2.446 435 S HA -0.080 4.390 4.470 -0.000 0.000 0.225 435 S C 1.441 176.007 174.600 -0.057 0.000 1.016 435 S CA 0.687 58.861 58.200 -0.043 0.000 0.943 435 S CB 0.018 63.200 63.200 -0.030 0.000 0.786 435 S HN 0.172 nan 8.310 nan 0.000 0.508 436 D N 2.093 122.450 120.400 -0.072 0.000 2.084 436 D HA -0.051 4.589 4.640 -0.000 0.000 0.194 436 D C 2.140 178.364 176.300 -0.127 0.000 0.990 436 D CA 1.213 55.161 54.000 -0.086 0.000 0.826 436 D CB -0.561 40.186 40.800 -0.090 0.000 0.971 436 D HN 0.319 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 2.392 178.413 176.094 -0.121 0.000 1.051 437 V CA 1.537 63.682 62.300 -0.259 0.000 1.048 437 V CB -0.411 31.186 31.823 -0.378 0.000 0.666 437 V HN 0.084 nan 8.190 nan 0.000 0.456 438 E N 0.883 121.034 120.200 -0.081 0.000 2.153 438 E HA -0.166 4.184 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 1.461 57.839 56.400 -0.038 0.000 0.811 438 E CB -0.455 29.228 29.700 -0.029 0.000 0.746 438 E HN 0.531 nan 8.360 nan 0.000 0.466 439 A N -0.283 122.518 122.820 -0.032 0.000 2.019 439 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 439 A C 2.282 179.864 177.584 -0.004 0.000 1.164 439 A CA 1.647 53.673 52.037 -0.018 0.000 0.644 439 A CB -0.467 18.519 19.000 -0.024 0.000 0.805 439 A HN 0.246 nan 8.150 nan 0.000 0.449 440 S N -0.494 115.201 115.700 -0.008 0.000 2.515 440 S HA 0.102 4.572 4.470 -0.000 0.000 0.231 440 S C 1.292 175.920 174.600 0.047 0.000 0.987 440 S CA 0.722 58.933 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 0.541 nan 8.310 nan 0.000 0.528 441 L N 0.447 121.693 121.223 0.039 0.000 2.616 441 L HA 0.164 4.504 4.340 -0.000 0.000 0.229 441 L C 1.362 178.267 176.870 0.058 0.000 1.110 441 L CA 0.059 54.934 54.840 0.059 0.000 0.884 441 L CB -0.196 41.892 42.059 0.049 0.000 1.115 441 L HN 0.061 nan 8.230 nan 0.000 0.481 442 D N 1.062 121.486 120.400 0.039 0.000 2.133 442 D HA -0.230 4.410 4.640 -0.000 0.000 0.195 442 D C 2.147 178.471 176.300 0.040 0.000 0.997 442 D CA 1.267 55.283 54.000 0.026 0.000 0.840 442 D CB 0.065 40.870 40.800 0.008 0.000 0.947 442 D HN 0.222 nan 8.370 nan 0.000 0.452 443 R N 0.029 120.572 120.500 0.071 0.000 2.092 443 R HA -0.108 4.232 4.340 -0.000 0.000 0.231 443 R C 2.291 178.725 176.300 0.223 0.000 1.119 443 R CA 0.655 56.825 56.100 0.115 0.000 0.970 443 R CB -0.257 30.133 30.300 0.150 0.000 0.864 443 R HN 0.120 nan 8.270 nan 0.000 0.440 444 L N 1.250 122.594 121.223 0.203 0.000 2.072 444 L HA -0.083 4.257 4.340 -0.000 0.000 0.205 444 L C 1.377 178.360 176.870 0.189 0.000 1.079 444 L CA 1.774 56.750 54.840 0.227 0.000 0.752 444 L CB -0.569 41.577 42.059 0.146 0.000 0.906 444 L HN 0.146 nan 8.230 nan 0.000 0.436 445 N N -0.090 118.676 118.700 0.110 0.000 2.223 445 N HA -0.197 4.543 4.740 -0.000 0.000 0.185 445 N C 1.959 177.499 175.510 0.049 0.000 1.016 445 N CA 1.121 54.213 53.050 0.070 0.000 0.863 445 N CB -0.391 38.119 38.487 0.038 0.000 0.983 445 N HN 0.407 nan 8.380 nan 0.000 0.429 446 R N -0.180 120.328 120.500 0.012 0.000 2.070 446 R HA -0.124 4.216 4.340 -0.000 0.000 0.233 446 R C 1.919 178.165 176.300 -0.090 0.000 1.137 446 R CA 1.401 57.444 56.100 -0.095 0.000 0.945 446 R CB -0.296 29.872 30.300 -0.220 0.000 0.845 446 R HN 0.249 nan 8.270 nan 0.000 0.430 447 W N 1.384 122.677 121.300 -0.011 0.000 2.333 447 W HA -0.180 4.479 4.660 -0.000 0.000 0.316 447 W C 2.100 178.609 176.519 -0.017 0.000 1.215 447 W CA 0.868 58.203 57.345 -0.017 0.000 1.278 447 W CB -0.554 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 -0.060 118.774 118.700 0.224 0.000 2.272 448 N HA -0.159 4.581 4.740 -0.000 0.000 0.185 448 N C 0.670 176.224 175.510 0.074 0.000 1.014 448 N CA 1.478 54.601 53.050 0.121 0.000 0.870 448 N CB -0.679 37.860 38.487 0.086 0.000 0.975 448 N HN 0.401 nan 8.380 nan 0.000 0.433 449 N N -0.390 118.342 118.700 0.052 0.000 2.205 449 N HA 0.030 4.770 4.740 -0.000 0.000 0.201 449 N C -0.389 175.124 175.510 0.005 0.000 1.128 449 N CA -0.169 52.893 53.050 0.020 0.000 0.867 449 N CB 0.399 38.888 38.487 0.003 0.000 0.996 449 N HN 0.056 nan 8.380 nan 0.000 0.503 450 N N 1.253 119.959 118.700 0.010 0.000 2.457 450 N HA 0.196 4.936 4.740 -0.000 0.000 0.250 450 N C 0.127 175.655 175.510 0.029 0.000 0.982 450 N CA -0.013 53.031 53.050 -0.011 0.000 0.941 450 N CB 0.686 39.125 38.487 -0.080 0.000 1.120 450 N HN 0.025 nan 8.380 nan 0.000 0.505 451 R N 2.350 122.860 120.500 0.016 0.000 2.225 451 R HA 0.224 4.564 4.340 -0.000 0.000 0.194 451 R C 0.218 176.530 176.300 0.020 0.000 0.949 451 R CA 0.326 56.442 56.100 0.026 0.000 1.088 451 R CB 0.064 30.376 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 0.086 4.826 4.740 -0.000 0.000 0.209 452 N C 0.766 176.274 175.510 -0.003 0.000 1.122 452 N CA 0.177 53.228 53.050 0.003 0.000 0.845 452 N CB 0.805 39.291 38.487 -0.002 0.000 1.004 452 N HN 0.123 nan 8.380 nan 0.000 0.499 453 G N 0.300 109.097 108.800 -0.006 0.000 2.486 453 G HA2 0.087 4.047 3.960 -0.000 0.000 0.272 453 G HA3 0.087 4.047 3.960 -0.000 0.000 0.272 453 G C 0.140 175.040 174.900 0.000 0.000 1.426 453 G CA -0.351 44.737 45.100 -0.019 0.000 1.058 453 G HN 0.101 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 4.468 4.350 -0.000 0.000 0.262 454 E C -0.804 175.823 176.600 0.045 0.000 1.088 454 E CA -0.465 55.944 56.400 0.015 0.000 0.899 454 E CB 1.025 30.729 29.700 0.006 0.000 1.044 454 E HN 0.354 nan 8.360 nan 0.000 0.420 455 D N 2.312 122.737 120.400 0.043 0.000 2.339 455 D HA 0.025 4.665 4.640 -0.000 0.000 0.256 455 D C -1.559 174.782 176.300 0.068 0.000 1.214 455 D CA -2.076 51.957 54.000 0.054 0.000 0.877 455 D CB 0.962 41.783 40.800 0.036 0.000 1.111 455 D HN 0.088 nan 8.370 nan 0.000 0.478 456 P HA -0.138 nan 4.420 nan 0.000 0.220 456 P C 1.541 178.881 177.300 0.067 0.000 1.148 456 P CA 0.374 63.547 63.100 0.121 0.000 0.803 456 P CB 0.389 32.182 31.700 0.156 0.000 0.782 457 V N 1.142 121.082 119.914 0.043 0.000 2.295 457 V HA -0.235 3.884 4.120 -0.000 0.000 0.246 457 V C 2.837 178.948 176.094 0.028 0.000 1.049 457 V CA 2.284 64.600 62.300 0.028 0.000 1.024 457 V CB -1.729 30.107 31.823 0.020 0.000 0.648 457 V HN 0.117 nan 8.190 nan 0.000 0.447 458 A N -0.242 122.595 122.820 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 1.750 53.800 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 -1.118 119.471 120.570 0.032 0.000 2.252 459 I HA -0.229 3.941 4.170 -0.000 0.000 0.245 459 I C 2.715 178.847 176.117 0.025 0.000 1.102 459 I CA 1.579 62.899 61.300 0.032 0.000 1.385 459 I CB -0.346 37.687 38.000 0.054 0.000 1.064 459 I HN 0.394 nan 8.210 nan 0.000 0.414 460 R N 1.698 122.215 120.500 0.029 0.000 2.073 460 R HA -0.178 4.162 4.340 -0.000 0.000 0.234 460 R C 2.223 178.526 176.300 0.006 0.000 1.134 460 R CA 1.564 57.675 56.100 0.018 0.000 0.952 460 R CB -0.034 30.279 30.300 0.021 0.000 0.850 460 R HN 0.264 nan 8.270 nan 0.000 0.433 461 K N -0.203 120.203 120.400 0.010 0.000 2.148 461 K HA -0.049 4.271 4.320 -0.000 0.000 0.204 461 K C 2.026 178.620 176.600 -0.011 0.000 1.050 461 K CA 1.146 57.437 56.287 0.006 0.000 0.942 461 K CB -0.024 32.485 32.500 0.014 0.000 0.724 461 K HN 0.230 nan 8.250 nan 0.000 0.446 462 A N 1.585 124.398 122.820 -0.011 0.000 1.929 462 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 462 A C 2.090 179.654 177.584 -0.033 0.000 1.176 462 A CA 0.854 52.876 52.037 -0.025 0.000 0.628 462 A CB -0.498 18.496 19.000 -0.011 0.000 0.816 462 A HN 0.280 nan 8.150 nan 0.000 0.444 463 L N -0.564 120.643 121.223 -0.026 0.000 2.017 463 L HA -0.271 4.069 4.340 -0.000 0.000 0.208 463 L C 2.705 179.528 176.870 -0.078 0.000 1.073 463 L CA 2.036 56.850 54.840 -0.043 0.000 0.745 463 L CB -0.392 41.645 42.059 -0.037 0.000 0.894 463 L HN 0.475 nan 8.230 nan 0.000 0.432 464 Q N -0.604 119.156 119.800 -0.067 0.000 2.119 464 Q HA -0.279 4.061 4.340 -0.000 0.000 0.201 464 Q C 2.059 178.038 176.000 -0.036 0.000 0.972 464 Q CA 1.867 57.627 55.803 -0.072 0.000 0.847 464 Q CB -0.120 28.605 28.738 -0.022 0.000 0.903 464 Q HN 0.588 nan 8.270 nan 0.000 0.433 465 E N 0.046 120.219 120.200 -0.046 0.000 2.106 465 E HA -0.194 4.156 4.350 -0.000 0.000 0.192 465 E C 2.009 178.519 176.600 -0.149 0.000 0.984 465 E CA 0.935 57.275 56.400 -0.102 0.000 0.806 465 E CB -0.063 29.525 29.700 -0.187 0.000 0.750 465 E HN 0.369 nan 8.360 nan 0.000 0.458 466 C N 0.605 119.854 119.300 -0.086 0.000 2.446 466 C HA -0.092 4.368 4.460 -0.000 0.000 0.277 466 C C 2.561 177.627 174.990 0.127 0.000 1.275 466 C CA 0.670 59.688 59.018 -0.001 0.000 1.727 466 C CB -0.697 27.060 27.740 0.029 0.000 2.010 466 C HN 0.497 nan 8.230 nan 0.000 0.486 467 M N 0.107 119.725 119.600 0.031 0.000 2.200 467 M HA -0.067 4.413 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 1.450 56.741 55.300 -0.015 0.000 1.127 467 M CB -1.655 30.531 32.600 -0.689 0.000 1.379 467 M HN 0.452 nan 8.290 nan 0.000 0.420 468 Q N -0.100 119.846 119.800 0.244 0.000 2.119 468 Q HA -0.098 4.242 4.340 -0.000 0.000 0.201 468 Q C 1.900 178.120 176.000 0.367 0.000 0.972 468 Q CA 1.661 57.715 55.803 0.419 0.000 0.847 468 Q CB -0.155 28.806 28.738 0.372 0.000 0.903 468 Q HN 0.615 nan 8.270 nan 0.000 0.433 469 H N -1.246 117.893 119.070 0.116 0.000 2.415 469 H HA 0.112 4.668 4.556 -0.000 0.000 0.297 469 H C 0.768 176.100 175.328 0.007 0.000 1.048 469 H CA 0.952 57.035 56.048 0.059 0.000 1.365 469 H CB 0.550 30.336 29.762 0.039 0.000 1.421 469 H HN 0.295 nan 8.280 nan 0.000 0.533 470 N N -0.361 118.395 118.700 0.094 0.000 2.184 470 N HA 0.028 4.768 4.740 -0.000 0.000 0.206 470 N C -0.464 174.665 175.510 -0.636 0.000 1.151 470 N CA 0.288 53.173 53.050 -0.274 0.000 0.878 470 N CB 0.839 39.084 38.487 -0.403 0.000 1.014 470 N HN 0.174 nan 8.380 nan 0.000 0.512 471 F N -0.130 119.916 119.950 0.161 0.000 2.671 471 F HA 0.326 4.853 4.527 -0.000 0.000 0.384 471 F C 0.949 176.943 175.800 0.323 0.000 1.351 471 F CA -0.468 57.656 58.000 0.208 0.000 1.151 471 F CB 0.288 39.387 39.000 0.165 0.000 1.147 471 F HN -0.230 nan 8.300 nan 0.000 0.513 472 S N -0.434 115.415 115.700 0.249 0.000 2.307 472 S HA 0.297 4.767 4.470 -0.000 0.000 0.252 472 S C 1.748 176.074 174.600 -0.456 0.000 1.204 472 S CA -0.022 58.135 58.200 -0.071 0.000 1.018 472 S CB 0.398 63.519 63.200 -0.132 0.000 1.077 472 S HN -0.041 nan 8.310 nan 0.000 0.454 473 V N 0.543 119.930 119.914 -0.878 0.000 2.287 473 V HA -0.026 4.094 4.120 -0.000 0.000 0.248 473 V C 0.370 176.044 176.094 -0.701 0.000 1.053 473 V CA 1.522 63.303 62.300 -0.864 0.000 1.027 473 V CB -0.700 30.604 31.823 -0.865 0.000 0.646 473 V HN 0.538 nan 8.190 nan 0.000 0.447 474 F N -0.263 119.533 119.950 -0.255 0.000 2.436 474 F HA 0.664 5.191 4.527 -0.000 0.000 0.340 474 F C 0.470 176.142 175.800 -0.213 0.000 1.113 474 F CA -0.745 57.083 58.000 -0.288 0.000 1.022 474 F CB 1.147 40.040 39.000 -0.179 0.000 1.128 474 F HN -0.117 nan 8.300 nan 0.000 0.466 475 R N 1.617 122.049 120.500 -0.114 0.000 2.854 475 R HA 0.687 5.027 4.340 -0.000 0.000 0.271 475 R C -1.192 175.094 176.300 -0.024 0.000 0.994 475 R CA -1.183 54.873 56.100 -0.074 0.000 0.945 475 R CB 2.857 33.102 30.300 -0.091 0.000 1.194 475 R HN 0.768 nan 8.270 nan 0.000 0.476 476 E N -0.656 119.564 120.200 0.034 0.000 2.390 476 E HA 0.317 4.667 4.350 -0.000 0.000 0.277 476 E C 0.057 176.694 176.600 0.063 0.000 0.939 476 E CA -1.025 55.438 56.400 0.105 0.000 0.769 476 E CB 1.625 31.432 29.700 0.178 0.000 1.251 476 E HN 0.525 nan 8.360 nan 0.000 0.450 477 G N 1.931 110.791 108.800 0.100 0.000 2.514 477 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.217 477 G HA3 -0.316 3.644 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 1.478 46.643 45.100 0.109 0.000 0.780 477 G HN 0.611 nan 8.290 nan 0.000 0.565 478 D N 0.962 121.392 120.400 0.050 0.000 2.104 478 D HA -0.054 4.586 4.640 -0.000 0.000 0.194 478 D C 2.831 179.139 176.300 0.013 0.000 0.994 478 D CA 1.472 55.492 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 0.316 nan 8.370 nan 0.000 0.452 479 A N 0.439 123.253 122.820 -0.010 0.000 1.933 479 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 479 A C 2.254 179.760 177.584 -0.130 0.000 1.175 479 A CA 1.322 53.327 52.037 -0.053 0.000 0.628 479 A CB -0.517 18.448 19.000 -0.060 0.000 0.814 479 A HN 0.166 nan 8.150 nan 0.000 0.444 480 M N -0.756 118.746 119.600 -0.163 0.000 2.254 480 M HA -0.080 4.400 4.480 -0.000 0.000 0.265 480 M C 2.505 178.823 176.300 0.031 0.000 1.066 480 M CA 1.174 56.333 55.300 -0.235 0.000 1.123 480 M CB -0.377 32.151 32.600 -0.119 0.000 1.388 480 M HN 0.486 nan 8.290 nan 0.000 0.425 481 A N 0.707 123.559 122.820 0.053 0.000 1.898 481 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 481 A C 2.102 179.737 177.584 0.085 0.000 1.181 481 A CA 1.716 53.806 52.037 0.088 0.000 0.620 481 A CB -0.395 18.653 19.000 0.079 0.000 0.819 481 A HN 0.354 nan 8.150 nan 0.000 0.442 482 K N -0.640 119.793 120.400 0.056 0.000 2.062 482 K HA -0.004 4.316 4.320 -0.000 0.000 0.205 482 K C 2.072 178.720 176.600 0.081 0.000 1.051 482 K CA 1.019 57.341 56.287 0.058 0.000 0.941 482 K CB -0.460 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 1.160 110.009 108.800 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 0.638 45.844 45.100 0.176 0.000 0.763 483 G HN 0.153 nan 8.290 nan 0.000 0.554 484 L N 0.515 121.883 121.223 0.242 0.000 2.056 484 L HA 0.059 4.399 4.340 -0.000 0.000 0.207 484 L C 2.579 179.543 176.870 0.157 0.000 1.078 484 L CA 1.748 56.693 54.840 0.175 0.000 0.749 484 L CB -0.431 41.709 42.059 0.135 0.000 0.901 484 L HN 0.096 nan 8.230 nan 0.000 0.433 485 E N -0.342 119.937 120.200 0.133 0.000 2.110 485 E HA -0.236 4.114 4.350 -0.000 0.000 0.193 485 E C 2.152 178.816 176.600 0.106 0.000 0.988 485 E CA 1.258 57.728 56.400 0.115 0.000 0.804 485 E CB -0.257 29.495 29.700 0.088 0.000 0.745 485 E HN 0.669 nan 8.360 nan 0.000 0.458 486 Q N 0.259 120.118 119.800 0.099 0.000 2.084 486 Q HA -0.076 4.264 4.340 -0.000 0.000 0.202 486 Q C 2.467 178.519 176.000 0.087 0.000 0.978 486 Q CA 0.910 56.760 55.803 0.078 0.000 0.844 486 Q CB -0.149 28.629 28.738 0.066 0.000 0.898 486 Q HN 0.254 nan 8.270 nan 0.000 0.426 487 L N 0.593 121.891 121.223 0.124 0.000 2.083 487 L HA -0.208 4.132 4.340 -0.000 0.000 0.209 487 L C 2.286 179.246 176.870 0.150 0.000 1.083 487 L CA 1.179 56.105 54.840 0.143 0.000 0.752 487 L CB -0.309 41.867 42.059 0.194 0.000 0.899 487 L HN 0.174 nan 8.230 nan 0.000 0.433 488 K N -0.429 120.079 120.400 0.179 0.000 2.057 488 K HA -0.142 4.178 4.320 -0.000 0.000 0.207 488 K C 2.029 178.656 176.600 0.044 0.000 1.049 488 K CA 1.247 57.603 56.287 0.116 0.000 0.931 488 K CB -0.195 32.392 32.500 0.145 0.000 0.714 488 K HN 0.127 nan 8.250 nan 0.000 0.440 489 V N 1.833 121.777 119.914 0.051 0.000 2.307 489 V HA -0.230 3.890 4.120 -0.000 0.000 0.245 489 V C 2.179 178.282 176.094 0.014 0.000 1.045 489 V CA 1.601 63.917 62.300 0.027 0.000 1.024 489 V CB -0.403 31.439 31.823 0.030 0.000 0.651 489 V HN 0.271 nan 8.190 nan 0.000 0.449 490 I N -0.184 120.399 120.570 0.023 0.000 2.286 490 I HA -0.236 3.934 4.170 -0.000 0.000 0.248 490 I C 2.721 178.838 176.117 -0.000 0.000 1.115 490 I CA 1.581 62.889 61.300 0.014 0.000 1.392 490 I CB -0.490 37.523 38.000 0.021 0.000 1.065 490 I HN 0.228 nan 8.210 nan 0.000 0.418 491 R N 0.971 121.465 120.500 -0.011 0.000 2.148 491 R HA -0.152 4.188 4.340 -0.000 0.000 0.227 491 R C 1.952 178.217 176.300 -0.059 0.000 1.103 491 R CA 1.170 57.240 56.100 -0.049 0.000 0.983 491 R CB 0.055 30.287 30.300 -0.114 0.000 0.874 491 R HN 0.319 nan 8.270 nan 0.000 0.451 492 E N 0.524 120.697 120.200 -0.045 0.000 2.112 492 E HA -0.117 4.233 4.350 -0.000 0.000 0.190 492 E C 2.046 178.617 176.600 -0.049 0.000 0.979 492 E CA 0.829 57.200 56.400 -0.048 0.000 0.814 492 E CB -0.053 29.628 29.700 -0.032 0.000 0.762 492 E HN 0.369 nan 8.360 nan 0.000 0.460 493 R N 0.435 120.915 120.500 -0.033 0.000 2.096 493 R HA -0.103 4.237 4.340 -0.000 0.000 0.235 493 R C 2.349 178.620 176.300 -0.048 0.000 1.127 493 R CA 0.730 56.812 56.100 -0.031 0.000 0.968 493 R CB -0.324 29.969 30.300 -0.010 0.000 0.861 493 R HN 0.052 nan 8.270 nan 0.000 0.440 494 L N 1.615 122.811 121.223 -0.045 0.000 2.201 494 L HA -0.110 4.230 4.340 -0.000 0.000 0.212 494 L C 1.390 178.158 176.870 -0.169 0.000 1.105 494 L CA 1.755 56.561 54.840 -0.057 0.000 0.775 494 L CB -0.151 41.906 42.059 -0.003 0.000 0.913 494 L HN -0.035 nan 8.230 nan 0.000 0.440 495 K N -0.749 119.562 120.400 -0.149 0.000 2.362 495 K HA -0.106 4.214 4.320 -0.000 0.000 0.200 495 K C 0.694 177.161 176.600 -0.222 0.000 1.046 495 K CA 1.019 57.192 56.287 -0.189 0.000 0.952 495 K CB -0.147 32.276 32.500 -0.129 0.000 0.753 495 K HN 0.268 nan 8.250 nan 0.000 0.466 496 N N 0.162 118.750 118.700 -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 0.696 39.123 38.487 -0.099 0.000 1.285 496 N HN 0.063 nan 8.380 nan 0.000 0.503 497 A N 0.783 123.451 122.820 -0.255 0.000 2.322 497 A HA 0.601 4.921 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 -0.568 51.383 52.037 -0.144 0.000 0.807 497 A CB 0.420 19.382 19.000 -0.064 0.000 1.047 497 A HN 0.564 nan 8.150 nan 0.000 0.487 498 R N 0.714 121.278 120.500 0.108 0.000 2.668 498 R HA 0.725 5.065 4.340 -0.000 0.000 0.279 498 R C -1.337 175.155 176.300 0.319 0.000 0.976 498 R CA -0.748 55.444 56.100 0.153 0.000 0.978 498 R CB 0.943 31.293 30.300 0.082 0.000 1.133 498 R HN 0.466 nan 8.270 nan 0.000 0.484 499 L N 2.635 124.026 121.223 0.280 0.000 2.295 499 L HA 0.316 4.656 4.340 -0.000 0.000 0.281 499 L C -0.426 176.501 176.870 0.095 0.000 1.018 499 L CA -0.082 54.882 54.840 0.207 0.000 0.841 499 L CB 1.395 43.594 42.059 0.234 0.000 1.218 499 L HN 0.738 nan 8.230 nan 0.000 0.424 500 D N 1.563 121.997 120.400 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 0.757 54.776 54.000 0.033 0.000 0.879 500 D CB 0.302 41.117 40.800 0.025 0.000 0.919 500 D HN 0.528 nan 8.370 nan 0.000 0.526 501 D N -0.499 119.903 120.400 0.002 0.000 2.381 501 D HA 0.090 4.730 4.640 -0.000 0.000 0.235 501 D C 0.365 176.661 176.300 -0.007 0.000 1.068 501 D CA -0.135 53.860 54.000 -0.009 0.000 0.832 501 D CB 1.534 42.318 40.800 -0.026 0.000 1.101 501 D HN -0.243 nan 8.370 nan 0.000 0.515 502 T N 1.218 115.773 114.554 0.001 0.000 3.069 502 T HA 0.097 4.447 4.350 -0.000 0.000 0.252 502 T C 0.751 175.450 174.700 -0.003 0.000 1.053 502 T CA 0.198 62.301 62.100 0.005 0.000 0.964 502 T CB -0.079 68.798 68.868 0.014 0.000 1.005 502 T HN 0.445 nan 8.240 nan 0.000 0.532 503 S N 0.800 116.496 115.700 -0.007 0.000 2.598 503 S HA 0.212 4.682 4.470 -0.000 0.000 0.256 503 S C 1.324 175.914 174.600 -0.016 0.000 1.350 503 S CA 0.151 58.347 58.200 -0.006 0.000 0.984 503 S CB 0.971 64.171 63.200 0.001 0.000 0.930 503 S HN 0.420 nan 8.310 nan 0.000 0.577 504 S N -1.689 114.004 115.700 -0.012 0.000 2.593 504 S HA 0.237 4.707 4.470 -0.000 0.000 0.235 504 S C 0.070 174.658 174.600 -0.021 0.000 1.059 504 S CA -0.231 57.954 58.200 -0.025 0.000 0.953 504 S CB -0.362 62.828 63.200 -0.017 0.000 0.897 504 S HN 0.721 nan 8.310 nan 0.000 0.507 505 E N 1.762 121.969 120.200 0.013 0.000 1.996 505 E HA 0.428 4.778 4.350 -0.000 0.000 0.280 505 E C -0.780 175.898 176.600 0.132 0.000 1.092 505 E CA -0.778 55.655 56.400 0.054 0.000 0.862 505 E CB -0.751 28.981 29.700 0.052 0.000 1.066 505 E HN 0.270 nan 8.360 nan 0.000 0.396 506 F N 3.470 123.382 119.950 -0.063 0.000 2.773 506 F HA -0.290 4.237 4.527 -0.000 0.000 0.251 506 F C -0.326 175.433 175.800 -0.069 0.000 1.020 506 F CA 0.442 58.403 58.000 -0.066 0.000 0.924 506 F CB -0.421 38.550 39.000 -0.049 0.000 0.919 506 F HN 0.455 nan 8.300 nan 0.000 0.846 507 N N 1.430 120.084 118.700 -0.076 0.000 2.521 507 N HA 0.141 4.881 4.740 -0.000 0.000 0.236 507 N C 1.195 176.606 175.510 -0.165 0.000 1.067 507 N CA 0.483 53.486 53.050 -0.079 0.000 0.939 507 N CB 0.868 39.303 38.487 -0.087 0.000 1.201 507 N HN 0.399 nan 8.380 nan 0.000 0.511 508 T N 0.522 115.013 114.554 -0.103 0.000 3.023 508 T HA -0.134 4.216 4.350 -0.000 0.000 0.266 508 T C 1.453 176.048 174.700 -0.175 0.000 1.093 508 T CA 0.762 62.773 62.100 -0.148 0.000 1.129 508 T CB 0.060 68.907 68.868 -0.035 0.000 0.899 508 T HN 0.374 nan 8.240 nan 0.000 0.491 509 Q N 1.842 121.556 119.800 -0.143 0.000 2.084 509 Q HA -0.016 4.324 4.340 -0.000 0.000 0.202 509 Q C 2.440 178.283 176.000 -0.263 0.000 0.978 509 Q CA 1.608 57.313 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 1.506 57.394 56.100 -0.353 0.000 0.960 510 R CB -0.241 29.909 30.300 -0.251 0.000 0.856 510 R HN 0.247 nan 8.270 nan 0.000 0.436 511 V N 1.379 121.009 119.914 -0.472 0.000 2.295 511 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 511 V C 1.976 177.746 176.094 -0.540 0.000 1.049 511 V CA 2.189 64.105 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 -1.072 118.905 120.200 -0.371 0.000 2.204 512 E HA -0.183 4.167 4.350 -0.000 0.000 0.194 512 E C 2.205 178.601 176.600 -0.340 0.000 0.989 512 E CA 1.412 57.650 56.400 -0.270 0.000 0.824 512 E CB -0.262 29.329 29.700 -0.181 0.000 0.756 512 E HN 0.603 nan 8.360 nan 0.000 0.477 513 C N 0.444 119.412 119.300 -0.554 0.000 2.446 513 C HA -0.055 4.405 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 0.343 58.785 59.018 -0.959 0.000 1.727 513 C CB -0.772 26.017 27.740 -1.585 0.000 2.010 513 C HN 0.409 nan 8.230 nan 0.000 0.486 514 L N 0.606 121.352 121.223 -0.794 0.000 2.131 514 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 514 L C 2.574 179.402 176.870 -0.070 0.000 1.092 514 L CA 1.527 56.146 54.840 -0.369 0.000 0.759 514 L CB -0.686 41.174 42.059 -0.332 0.000 0.903 514 L HN 0.456 nan 8.230 nan 0.000 0.435 515 E N -0.176 119.954 120.200 -0.117 0.000 2.150 515 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 515 E C 2.096 178.714 176.600 0.030 0.000 0.985 515 E CA 0.802 57.221 56.400 0.033 0.000 0.814 515 E CB -0.104 29.599 29.700 0.005 0.000 0.752 515 E HN 0.243 nan 8.360 nan 0.000 0.466 516 L N 1.793 123.009 121.223 -0.012 0.000 2.079 516 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 516 L C 1.426 178.364 176.870 0.113 0.000 1.081 516 L CA 1.847 56.717 54.840 0.049 0.000 0.752 516 L CB -0.369 41.729 42.059 0.065 0.000 0.896 516 L HN -0.012 nan 8.230 nan 0.000 0.433 517 D N -0.359 120.149 120.400 0.180 0.000 2.123 517 D HA -0.184 4.456 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 1.288 55.398 54.000 0.184 0.000 0.833 517 D CB -0.270 40.683 40.800 0.256 0.000 0.954 517 D HN 0.445 nan 8.370 nan 0.000 0.455 518 N N 0.316 119.074 118.700 0.098 0.000 2.270 518 N HA -0.028 4.712 4.740 -0.000 0.000 0.181 518 N C 2.125 177.663 175.510 0.046 0.000 1.016 518 N CA 0.181 53.273 53.050 0.070 0.000 0.870 518 N CB -0.154 38.378 38.487 0.075 0.000 0.979 518 N HN 0.261 nan 8.380 nan 0.000 0.431 519 L N 0.205 121.452 121.223 0.039 0.000 2.046 519 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 519 L C 2.410 179.278 176.870 -0.003 0.000 1.077 519 L CA 0.923 55.769 54.840 0.009 0.000 0.747 519 L CB -0.280 41.779 42.059 0.001 0.000 0.896 519 L HN 0.123 nan 8.230 nan 0.000 0.432 520 M N -0.102 119.509 119.600 0.019 0.000 2.067 520 M HA -0.183 4.297 4.480 -0.000 0.000 0.260 520 M C 2.168 178.479 176.300 0.019 0.000 1.069 520 M CA 1.779 57.088 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 -0.629 119.584 120.200 0.022 0.000 2.077 521 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 521 E C 2.046 178.647 176.600 0.002 0.000 0.989 521 E CA 1.980 58.394 56.400 0.023 0.000 0.800 521 E CB -0.773 28.947 29.700 0.033 0.000 0.746 521 E HN 0.569 nan 8.360 nan 0.000 0.452 522 T N 1.197 115.753 114.554 0.004 0.000 2.777 522 T HA -0.056 4.294 4.350 -0.000 0.000 0.266 522 T C 1.976 176.657 174.700 -0.031 0.000 1.040 522 T CA 1.353 63.458 62.100 0.007 0.000 1.141 522 T CB -0.167 68.739 68.868 0.062 0.000 0.868 522 T HN 0.264 nan 8.240 nan 0.000 0.444 523 A N 0.407 123.184 122.820 -0.071 0.000 1.902 523 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 523 A C 2.104 179.574 177.584 -0.190 0.000 1.181 523 A CA 1.379 53.312 52.037 -0.173 0.000 0.623 523 A CB -0.975 17.923 19.000 -0.170 0.000 0.818 523 A HN 0.559 nan 8.150 nan 0.000 0.443 524 Y N 0.473 120.642 120.300 -0.218 0.000 2.163 524 Y HA -0.047 4.503 4.550 -0.000 0.000 0.288 524 Y C 2.698 178.390 175.900 -0.348 0.000 1.136 524 Y CA 1.237 59.201 58.100 -0.225 0.000 1.147 524 Y CB -0.478 37.895 38.460 -0.144 0.000 0.987 524 Y HN 0.305 nan 8.280 nan 0.000 0.509 525 A N -0.913 121.684 122.820 -0.372 0.000 1.940 525 A HA -0.197 4.122 4.320 -0.000 0.000 0.219 525 A C 2.216 179.541 177.584 -0.432 0.000 1.176 525 A CA 2.291 53.883 52.037 -0.742 0.000 0.631 525 A CB -1.294 17.324 19.000 -0.637 0.000 0.814 525 A HN 0.503 nan 8.150 nan 0.000 0.446 526 T N 0.156 114.551 114.554 -0.265 0.000 2.737 526 T HA 0.008 4.358 4.350 -0.000 0.000 0.265 526 T C 2.260 176.762 174.700 -0.331 0.000 1.038 526 T CA 1.567 63.576 62.100 -0.152 0.000 1.144 526 T CB -0.453 68.410 68.868 -0.008 0.000 0.866 526 T HN 0.603 nan 8.240 nan 0.000 0.434 527 A N 1.117 123.574 122.820 -0.605 0.000 1.858 527 A HA -0.067 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 0.172 119.885 119.914 -0.334 0.000 2.392 528 V HA -0.248 3.872 4.120 -0.000 0.000 0.249 528 V C 2.773 178.879 176.094 0.021 0.000 1.059 528 V CA 2.402 64.607 62.300 -0.159 0.000 1.051 528 V CB -0.862 30.847 31.823 -0.190 0.000 0.658 528 V HN 0.566 nan 8.190 nan 0.000 0.455 529 S N 0.044 115.737 115.700 -0.013 0.000 2.368 529 S HA -0.085 4.385 4.470 -0.000 0.000 0.224 529 S C 2.239 176.898 174.600 0.098 0.000 1.029 529 S CA 1.228 59.480 58.200 0.086 0.000 0.988 529 S CB -0.437 62.782 63.200 0.032 0.000 0.838 529 S HN 0.650 nan 8.310 nan 0.000 0.462 530 A N 2.934 125.814 122.820 0.100 0.000 1.877 530 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 530 A C 1.944 179.673 177.584 0.243 0.000 1.186 530 A CA 1.468 53.633 52.037 0.212 0.000 0.620 530 A CB -0.758 18.544 19.000 0.503 0.000 0.822 530 A HN 0.471 nan 8.150 nan 0.000 0.443 531 N N -1.287 117.571 118.700 0.262 0.000 2.223 531 N HA -0.152 4.588 4.740 -0.000 0.000 0.185 531 N C 1.516 177.127 175.510 0.168 0.000 1.016 531 N CA 1.560 54.740 53.050 0.216 0.000 0.863 531 N CB -0.370 38.244 38.487 0.211 0.000 0.983 531 N HN 0.540 nan 8.380 nan 0.000 0.429 532 F N 2.083 122.042 119.950 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 0.850 58.864 58.000 0.023 0.000 1.205 532 F CB -0.310 38.742 39.000 0.087 0.000 0.986 532 F HN -0.211 nan 8.300 nan 0.000 0.470 533 R N 1.465 121.607 120.500 -0.597 0.000 2.413 533 R HA 0.058 4.398 4.340 -0.000 0.000 0.333 533 R C -0.483 175.176 176.300 -1.070 0.000 1.074 533 R CA 0.560 55.772 56.100 -1.480 0.000 0.982 533 R CB -0.355 29.292 30.300 -1.089 0.000 0.981 533 R HN 0.325 nan 8.270 nan 0.000 0.452 534 T N 1.937 115.712 114.554 -1.299 0.000 3.855 534 T HA 0.207 4.557 4.350 -0.000 0.000 0.306 534 T C -0.282 173.870 174.700 -0.914 0.000 1.575 534 T CA -0.559 60.908 62.100 -1.055 0.000 1.214 534 T CB -0.372 67.744 68.868 -1.254 0.000 1.262 534 T HN 0.783 nan 8.240 nan 0.000 0.883 535 E N -0.590 119.293 120.200 -0.528 0.000 2.442 535 E HA 0.583 4.933 4.350 -0.000 0.000 0.278 535 E C -1.571 175.018 176.600 -0.018 0.000 1.082 535 E CA -1.258 55.033 56.400 -0.183 0.000 0.861 535 E CB 0.561 30.121 29.700 -0.233 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 0.034 0.000 2.669 536 S HA 0.532 5.002 4.470 -0.000 0.000 0.315 536 S C -1.044 173.596 174.600 0.066 0.000 1.106 536 S CA -0.689 57.526 58.200 0.025 0.000 1.107 536 S CB 0.670 63.870 63.200 -0.000 0.000 0.990 536 S HN 0.439 nan 8.310 nan 0.000 0.471 537 R N 2.255 122.816 120.500 0.101 0.000 2.533 537 R HA 0.570 4.910 4.340 -0.000 0.000 0.288 537 R C 0.717 177.087 176.300 0.116 0.000 1.039 537 R CA 0.323 56.487 56.100 0.107 0.000 0.909 537 R CB 0.954 31.316 30.300 0.103 0.000 1.195 537 R HN 0.842 nan 8.270 nan 0.000 0.438 538 G N 2.564 111.425 108.800 0.103 0.000 2.591 538 G HA2 -0.452 3.508 3.960 -0.000 0.000 0.298 538 G HA3 -0.452 3.508 3.960 -0.000 0.000 0.298 538 G C 0.687 175.638 174.900 0.085 0.000 1.195 538 G CA 0.515 45.674 45.100 0.098 0.000 0.989 538 G HN 0.848 nan 8.290 nan 0.000 0.551 539 A N -0.400 122.488 122.820 0.113 0.000 2.167 539 A HA 0.343 4.663 4.320 -0.000 0.000 0.214 539 A C 1.134 178.799 177.584 0.134 0.000 1.151 539 A CA 1.823 53.933 52.037 0.122 0.000 0.735 539 A CB -0.294 18.824 19.000 0.197 0.000 0.802 539 A HN 1.399 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 -0.624 174.686 175.328 -0.029 0.000 1.105 540 H CA 0.088 56.153 56.048 0.027 0.000 1.352 540 H CB 0.385 30.160 29.762 0.023 0.000 1.423 540 H HN 0.061 nan 8.280 nan 0.000 0.464 541 S N 5.408 120.855 115.700 -0.420 0.000 2.605 541 S HA 0.531 5.001 4.470 -0.000 0.000 0.308 541 S C -0.806 173.524 174.600 -0.450 0.000 1.113 541 S CA -0.845 57.135 58.200 -0.367 0.000 1.049 541 S CB 0.289 63.315 63.200 -0.290 0.000 1.001 541 S HN 0.763 nan 8.310 nan 0.000 0.480 542 R N 3.049 123.334 120.500 -0.358 0.000 2.562 542 R HA 0.420 4.760 4.340 -0.000 0.000 0.298 542 R C -0.141 176.059 176.300 -0.165 0.000 0.961 542 R CA -0.612 55.340 56.100 -0.246 0.000 0.881 542 R CB 0.878 31.138 30.300 -0.066 0.000 1.159 542 R HN 0.567 nan 8.270 nan 0.000 0.450 543 F N 1.156 121.116 119.950 0.017 0.000 2.259 543 F HA -0.133 4.394 4.527 -0.000 0.000 0.298 543 F C 2.048 177.809 175.800 -0.065 0.000 1.088 543 F CA 1.148 59.134 58.000 -0.023 0.000 1.358 543 F CB -0.032 38.934 39.000 -0.056 0.000 1.040 543 F HN 0.592 nan 8.300 nan 0.000 0.505 544 D N -1.221 119.232 120.400 0.088 0.000 2.347 544 D HA -0.128 4.512 4.640 -0.000 0.000 0.213 544 D C 0.022 176.009 176.300 -0.521 0.000 0.985 544 D CA 0.644 54.542 54.000 -0.169 0.000 0.879 544 D CB -0.552 40.168 40.800 -0.133 0.000 0.919 544 D HN 0.234 nan 8.370 nan 0.000 0.526 545 F N 0.203 120.167 119.950 0.023 0.000 2.872 545 F HA 0.281 4.808 4.527 -0.000 0.000 0.363 545 F C -1.947 173.848 175.800 -0.009 0.000 1.357 545 F CA -1.746 56.259 58.000 0.009 0.000 1.174 545 F CB 2.044 41.036 39.000 -0.013 0.000 1.860 545 F HN -0.226 nan 8.300 nan 0.000 0.615 546 P HA -0.003 nan 4.420 nan 0.000 0.233 546 P C -0.208 177.145 177.300 0.088 0.000 1.167 546 P CA 0.879 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 0.135 120.604 120.400 0.114 0.000 2.277 547 D HA 0.222 4.862 4.640 -0.000 0.000 0.250 547 D C 0.147 176.512 176.300 0.109 0.000 1.032 547 D CA -0.527 53.536 54.000 0.105 0.000 0.947 547 D CB 1.351 42.214 40.800 0.105 0.000 1.159 547 D HN -0.155 nan 8.370 nan 0.000 0.460 548 R N 1.042 121.601 120.500 0.098 0.000 2.265 548 R HA 0.130 4.470 4.340 -0.000 0.000 0.314 548 R C -0.871 175.498 176.300 0.115 0.000 1.053 548 R CA -0.346 55.815 56.100 0.102 0.000 0.931 548 R CB 0.549 30.908 30.300 0.098 0.000 1.024 548 R HN 0.246 nan 8.270 nan 0.000 0.457 549 D N 3.088 123.579 120.400 0.151 0.000 2.472 549 D HA 0.106 4.746 4.640 -0.000 0.000 0.234 549 D C -0.391 176.006 176.300 0.162 0.000 1.088 549 D CA -0.402 53.705 54.000 0.177 0.000 0.882 549 D CB 1.198 42.167 40.800 0.282 0.000 1.037 549 D HN 0.449 nan 8.370 nan 0.000 0.520 550 D N 2.118 122.573 120.400 0.091 0.000 2.347 550 D HA -0.039 4.601 4.640 -0.000 0.000 0.213 550 D C 1.327 177.643 176.300 0.027 0.000 0.985 550 D CA 0.517 54.551 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 0.592 nan 8.370 nan 0.000 0.526 551 E N -0.003 120.211 120.200 0.024 0.000 2.122 551 E HA 0.020 4.370 4.350 -0.000 0.000 0.190 551 E C 1.286 177.846 176.600 -0.067 0.000 0.977 551 E CA 0.477 56.868 56.400 -0.013 0.000 0.820 551 E CB 0.259 29.956 29.700 -0.004 0.000 0.770 551 E HN 0.190 nan 8.360 nan 0.000 0.462 552 N N -1.216 117.432 118.700 -0.087 0.000 2.407 552 N HA 0.015 4.755 4.740 -0.000 0.000 0.182 552 N C 0.304 175.482 175.510 -0.555 0.000 1.079 552 N CA 0.390 53.243 53.050 -0.327 0.000 0.882 552 N CB 0.409 38.682 38.487 -0.357 0.000 1.106 552 N HN 0.165 nan 8.380 nan 0.000 0.461 553 W N 0.821 122.091 121.300 -0.050 0.000 2.407 553 W HA 0.378 5.038 4.660 -0.000 0.000 0.370 553 W C -0.015 176.483 176.519 -0.036 0.000 0.928 553 W CA -0.487 56.824 57.345 -0.056 0.000 2.005 553 W CB 0.200 29.615 29.460 -0.076 0.000 1.171 553 W HN -0.161 nan 8.180 nan 0.000 0.572 554 L N 3.371 124.658 121.223 0.107 0.000 2.437 554 L HA 0.314 4.654 4.340 -0.000 0.000 0.243 554 L C 0.294 177.176 176.870 0.019 0.000 1.346 554 L CA -0.247 54.632 54.840 0.065 0.000 1.233 554 L CB -1.386 40.694 42.059 0.035 0.000 1.436 554 L HN 0.190 nan 8.230 nan 0.000 0.416 555 C N -1.255 118.058 119.300 0.021 0.000 3.253 555 C HA 0.497 4.957 4.460 -0.000 0.000 0.362 555 C C -0.310 174.637 174.990 -0.072 0.000 1.487 555 C CA -1.155 57.841 59.018 -0.037 0.000 1.179 555 C CB 1.385 29.147 27.740 0.037 0.000 1.660 555 C HN 0.456 nan 8.230 nan 0.000 0.438 556 H N 1.042 120.192 119.070 0.134 0.000 2.483 556 H HA 0.638 5.194 4.556 -0.000 0.000 0.338 556 H C 0.290 175.736 175.328 0.197 0.000 1.152 556 H CA 0.623 56.752 56.048 0.134 0.000 1.264 556 H CB 1.896 31.705 29.762 0.078 0.000 1.510 556 H HN 0.943 nan 8.280 nan 0.000 0.530 557 S N 1.918 117.819 115.700 0.335 0.000 2.578 557 S HA 0.467 4.937 4.470 -0.000 0.000 0.283 557 S C -0.469 174.248 174.600 0.196 0.000 1.195 557 S CA -0.842 57.563 58.200 0.342 0.000 1.050 557 S CB 1.326 64.748 63.200 0.369 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 0.477 4.816 4.340 -0.000 0.000 0.272 558 L C -1.569 175.309 176.870 0.013 0.000 0.980 558 L CA -0.738 54.134 54.840 0.054 0.000 0.831 558 L CB 1.676 43.750 42.059 0.024 0.000 1.253 558 L HN 0.867 nan 8.230 nan 0.000 0.406 559 Y N 5.765 126.024 120.300 -0.068 0.000 2.425 559 Y HA 0.539 5.089 4.550 -0.000 0.000 0.347 559 Y C -0.881 174.986 175.900 -0.055 0.000 0.976 559 Y CA -0.511 57.543 58.100 -0.077 0.000 1.190 559 Y CB 0.619 39.051 38.460 -0.047 0.000 1.136 559 Y HN 0.516 nan 8.280 nan 0.000 0.517 560 L N 10.071 130.970 121.223 -0.540 0.000 2.283 560 L HA 0.260 4.600 4.340 -0.000 0.000 0.287 560 L C -1.694 174.789 176.870 -0.645 0.000 1.073 560 L CA -1.762 52.817 54.840 -0.435 0.000 0.822 560 L CB 0.987 42.879 42.059 -0.279 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 1.087 178.301 177.300 -0.144 0.000 1.153 561 P CA 1.105 64.083 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 -0.471 119.655 120.200 -0.123 0.000 2.150 562 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 562 E C 1.727 178.276 176.600 -0.086 0.000 0.985 562 E CA 1.646 57.998 56.400 -0.081 0.000 0.814 562 E CB -0.270 29.390 29.700 -0.067 0.000 0.752 562 E HN 0.297 nan 8.360 nan 0.000 0.466 563 S N -0.475 115.149 115.700 -0.127 0.000 2.540 563 S HA 0.096 4.566 4.470 -0.000 0.000 0.218 563 S C 0.197 174.730 174.600 -0.112 0.000 0.977 563 S CA -0.247 57.891 58.200 -0.102 0.000 0.918 563 S CB 0.137 63.276 63.200 -0.101 0.000 0.806 563 S HN 0.165 nan 8.310 nan 0.000 0.496 564 E N 1.567 121.655 120.200 -0.187 0.000 2.328 564 E HA -0.191 4.159 4.350 -0.000 0.000 0.233 564 E C -0.099 176.427 176.600 -0.124 0.000 1.219 564 E CA 0.687 56.998 56.400 -0.147 0.000 0.717 564 E CB -1.983 27.797 29.700 0.135 0.000 1.210 564 E HN 0.843 nan 8.360 nan 0.000 0.381 565 S N -1.299 114.235 115.700 -0.276 0.000 2.745 565 S HA 0.804 5.274 4.470 -0.000 0.000 0.306 565 S C -0.124 174.303 174.600 -0.288 0.000 1.137 565 S CA -1.205 56.882 58.200 -0.188 0.000 0.900 565 S CB 2.121 65.243 63.200 -0.130 0.000 1.176 565 S HN 0.080 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 0.681 5.161 4.480 -0.000 0.000 0.321 566 M C 0.050 176.040 176.300 -0.517 0.000 1.182 566 M CA -0.289 54.652 55.300 -0.598 0.000 0.965 566 M CB 1.525 33.305 32.600 -1.367 0.000 1.694 566 M HN 1.037 nan 8.290 nan 0.000 0.461 567 T N 0.993 115.330 114.554 -0.361 0.000 2.618 567 T HA 0.706 5.056 4.350 -0.000 0.000 0.293 567 T C -1.418 173.326 174.700 0.074 0.000 1.093 567 T CA -0.665 61.376 62.100 -0.099 0.000 1.061 567 T CB 1.893 70.723 68.868 -0.064 0.000 1.498 567 T HN 0.705 nan 8.240 nan 0.000 0.494 568 R N 0.660 121.222 120.500 0.103 0.000 2.725 568 R HA 0.677 5.017 4.340 -0.000 0.000 0.277 568 R C -0.868 175.492 176.300 0.099 0.000 0.987 568 R CA -0.951 55.239 56.100 0.150 0.000 0.901 568 R CB 2.244 32.617 30.300 0.121 0.000 1.207 568 R HN 0.474 nan 8.270 nan 0.000 0.463 569 R N 0.335 120.921 120.500 0.143 0.000 2.803 569 R HA 0.400 4.740 4.340 -0.000 0.000 0.276 569 R C -0.559 175.844 176.300 0.173 0.000 0.978 569 R CA -0.751 55.427 56.100 0.129 0.000 0.939 569 R CB 2.474 32.840 30.300 0.110 0.000 1.179 569 R HN 0.528 nan 8.270 nan 0.000 0.472 570 S N 0.908 116.683 115.700 0.126 0.000 2.562 570 S HA 0.098 4.568 4.470 -0.000 0.000 0.281 570 S C 0.069 174.786 174.600 0.195 0.000 1.333 570 S CA -0.544 57.724 58.200 0.112 0.000 1.052 570 S CB 0.932 64.172 63.200 0.067 0.000 0.884 570 S HN 0.222 nan 8.310 nan 0.000 0.506 571 V N 4.432 124.408 119.914 0.104 0.000 2.461 571 V HA 0.170 4.290 4.120 -0.000 0.000 0.275 571 V C 0.721 176.883 176.094 0.114 0.000 1.047 571 V CA -0.818 61.543 62.300 0.102 0.000 0.955 571 V CB 0.998 32.794 31.823 -0.045 0.000 0.988 571 V HN 0.809 nan 8.190 nan 0.000 0.471 572 N N 5.551 124.336 118.700 0.142 0.000 2.475 572 N HA 0.239 4.979 4.740 -0.000 0.000 0.267 572 N C -0.341 175.233 175.510 0.107 0.000 1.169 572 N CA 0.078 53.190 53.050 0.104 0.000 0.947 572 N CB 0.827 39.370 38.487 0.092 0.000 1.061 572 N HN 0.668 nan 8.380 nan 0.000 0.466 573 M N 2.997 122.651 119.600 0.090 0.000 3.189 573 M HA 0.195 4.675 4.480 -0.000 0.000 0.365 573 M C -0.882 175.464 176.300 0.076 0.000 1.447 573 M CA -0.068 55.291 55.300 0.098 0.000 0.739 573 M CB 0.565 33.219 32.600 0.091 0.000 1.411 573 M HN 0.370 nan 8.290 nan 0.000 0.494 574 E N 1.501 121.747 120.200 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 54.833 56.400 0.061 0.000 0.869 574 E CB 1.566 31.293 29.700 0.045 0.000 1.387 574 E HN 0.120 nan 8.360 nan 0.000 0.393 575 P HA -0.013 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 -0.250 62.922 63.100 0.120 0.000 0.783 575 P CB 0.991 32.775 31.700 0.141 0.000 0.898 576 K N 0.871 121.340 120.400 0.115 0.000 2.308 576 K HA 0.181 4.501 4.320 -0.000 0.000 0.197 576 K C 1.491 178.154 176.600 0.104 0.000 1.049 576 K CA 0.968 57.310 56.287 0.092 0.000 0.991 576 K CB -0.076 32.473 32.500 0.082 0.000 0.836 576 K HN 0.397 nan 8.250 nan 0.000 0.500 577 L N 0.622 121.942 121.223 0.161 0.000 2.638 577 L HA 0.196 4.536 4.340 -0.000 0.000 0.232 577 L C 0.705 177.682 176.870 0.179 0.000 1.099 577 L CA -0.170 54.788 54.840 0.196 0.000 0.883 577 L CB 0.230 42.472 42.059 0.306 0.000 1.136 577 L HN 0.053 nan 8.230 nan 0.000 0.492 578 R N -0.980 119.602 120.500 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 -1.600 54.519 56.100 0.031 0.000 0.893 578 R CB 0.630 30.929 30.300 -0.001 0.000 1.244 578 R HN -0.348 nan 8.270 nan 0.000 0.464 579 P HA 0.111 nan 4.420 nan 0.000 0.269 579 P C -0.680 176.473 177.300 -0.245 0.000 1.215 579 P CA -0.174 62.836 63.100 -0.150 0.000 0.780 579 P CB 0.688 32.286 31.700 -0.170 0.000 0.898 580 A N 2.021 124.758 122.820 -0.138 0.000 2.425 580 A HA 0.301 4.621 4.320 -0.000 0.000 0.242 580 A C -0.425 177.066 177.584 -0.155 0.000 1.077 580 A CA -0.108 51.878 52.037 -0.086 0.000 0.781 580 A CB -0.580 18.439 19.000 0.032 0.000 1.020 580 A HN 0.399 nan 8.150 nan 0.000 0.494 581 F N 3.111 123.146 119.950 0.142 0.000 2.413 581 F HA 0.305 4.832 4.527 -0.000 0.000 0.359 581 F C -1.513 174.390 175.800 0.171 0.000 1.122 581 F CA -1.856 56.252 58.000 0.180 0.000 1.160 581 F CB 0.716 39.866 39.000 0.249 0.000 1.146 581 F HN 0.353 nan 8.300 nan 0.000 0.514 582 P HA 0.125 nan 4.420 nan 0.000 0.271 582 P C -2.667 174.568 177.300 -0.109 0.000 1.216 582 P CA -1.490 61.648 63.100 0.062 0.000 0.776 582 P CB 0.215 31.927 31.700 0.021 0.000 0.881 583 P HA 0.081 nan 4.420 nan 0.000 0.266 583 P C -0.012 176.936 177.300 -0.587 0.000 1.215 583 P CA 0.528 63.109 63.100 -0.865 0.000 0.763 583 P CB 0.186 31.625 31.700 -0.435 0.000 0.806 584 K N 2.346 122.324 120.400 -0.704 0.000 2.372 584 K HA 0.564 4.884 4.320 -0.000 0.000 0.251 584 K C -0.592 175.925 176.600 -0.139 0.000 1.055 584 K CA -1.215 54.923 56.287 -0.248 0.000 0.879 584 K CB 0.904 33.357 32.500 -0.079 0.000 1.384 584 K HN 0.020 nan 8.250 nan 0.000 0.465 585 I N 1.515 122.063 120.570 -0.036 0.000 2.710 585 I HA 0.013 4.183 4.170 -0.000 0.000 0.286 585 I C 0.491 176.637 176.117 0.048 0.000 1.181 585 I CA 0.336 61.645 61.300 0.015 0.000 1.430 585 I CB 0.387 38.397 38.000 0.017 0.000 1.367 585 I HN 0.490 nan 8.210 nan 0.000 0.577 586 R N 5.424 125.964 120.500 0.066 0.000 2.287 586 R HA 0.408 4.748 4.340 -0.000 0.000 0.316 586 R C -1.041 175.233 176.300 -0.042 0.000 1.050 586 R CA -0.325 55.789 56.100 0.022 0.000 0.983 586 R CB 0.491 30.851 30.300 0.100 0.000 1.140 586 R HN 0.808 nan 8.270 nan 0.000 0.528 587 T N 0.074 114.552 114.554 -0.126 0.000 2.907 587 T HA 0.468 4.818 4.350 -0.000 0.000 0.292 587 T C -0.743 173.824 174.700 -0.222 0.000 1.043 587 T CA -0.602 61.455 62.100 -0.072 0.000 1.003 587 T CB 1.352 70.228 68.868 0.014 0.000 1.084 587 T HN 0.322 nan 8.240 nan 0.000 0.483 588 Y N 0.000 120.336 120.300 0.060 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