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 1zy8_1_F DATA FIRST_RESID 1 DATA SEQUENCE ADQPIDADVT VIGSGPGGYV AAIKAAQLGF KTVCIEKNET LGGTCLNVGC DATA SEQUENCE IPSKALLNNS HYYHMAHGKD FASRGIEMSE VRLNLDKMME QKSTAVKALT DATA SEQUENCE GGIAHLFKQN KVVHVNGYGK ITGKNQVTAT KADGGTQVID TKNILIATGS DATA SEQUENCE EVTPFPGITI DEDTIVSSTG ALSLKKVPEK MVVIGAGVIG VELGSVWQRL DATA SEQUENCE GADVTAVEFL GHVGGVGIDM EISKNFQRIL QKQGFKFKLN TKVTGATKKS DATA SEQUENCE DGKIDVSIEA ASGGKAEVIT CDVLLVCIGR RPFTKNLGLE ELGIELDPRG DATA SEQUENCE RIPVNTRFQT KIPNIYAIGD VVAGPMLAHK AEDEGIICVE GMAGGAVHID DATA SEQUENCE YNCVPSVIYT HPEVAWVGKS EEQLKEEGIE YKVGKFPFAA NSRAKTNADT DATA SEQUENCE DGMVKILGQK STDRVLGAHI LGPGAGEMVN EAALALEYGA SCEDIARVCH DATA SEQUENCE AHPTLSEAFR EANLAASFGK SINF 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.584 177.584 -0.001 0.000 1.274 1 A CA 0.000 52.037 52.037 0.001 0.000 0.836 1 A CB 0.000 19.000 19.000 0.001 0.000 0.831 2 D N 1.608 122.007 120.400 -0.002 0.000 2.256 2 D HA 0.438 5.078 4.640 -0.000 0.000 0.250 2 D C 0.114 176.412 176.300 -0.002 0.000 1.093 2 D CA -0.079 53.919 54.000 -0.003 0.000 0.882 2 D CB 0.794 41.590 40.800 -0.007 0.000 1.185 2 D HN 0.415 nan 8.370 nan 0.000 0.437 3 Q N 2.480 122.279 119.800 -0.002 0.000 2.348 3 Q HA -0.015 4.325 4.340 -0.000 0.000 0.331 3 Q C -1.980 174.019 176.000 -0.001 0.000 1.099 3 Q CA -0.906 54.897 55.803 -0.001 0.000 1.021 3 Q CB 0.530 29.268 28.738 -0.001 0.000 1.166 3 Q HN 0.303 nan 8.270 nan 0.000 0.393 4 P HA 0.132 nan 4.420 nan 0.000 0.274 4 P C -0.639 176.661 177.300 0.000 0.000 1.237 4 P CA 0.124 63.225 63.100 0.001 0.000 0.793 4 P CB 0.459 32.161 31.700 0.003 0.000 0.977 5 I N -1.955 118.615 120.570 -0.000 0.000 2.646 5 I HA 0.558 4.728 4.170 -0.000 0.000 0.299 5 I C -0.855 175.263 176.117 0.001 0.000 1.036 5 I CA -1.034 60.265 61.300 -0.001 0.000 1.074 5 I CB 2.374 40.371 38.000 -0.005 0.000 1.258 5 I HN 0.007 nan 8.210 nan 0.000 0.430 6 D N 3.826 124.229 120.400 0.004 0.000 2.168 6 D HA 0.749 5.389 4.640 -0.000 0.000 0.246 6 D C -0.455 175.849 176.300 0.007 0.000 1.050 6 D CA 0.061 54.065 54.000 0.007 0.000 0.857 6 D CB 2.232 43.039 40.800 0.012 0.000 1.169 6 D HN 0.857 nan 8.370 nan 0.000 0.453 7 A N 1.499 124.322 122.820 0.005 0.000 2.566 7 A HA 0.472 4.792 4.320 -0.000 0.000 0.292 7 A C -0.099 177.486 177.584 0.002 0.000 1.112 7 A CA -0.607 51.433 52.037 0.004 0.000 0.707 7 A CB 1.390 20.383 19.000 -0.012 0.000 1.302 7 A HN 0.355 nan 8.150 nan 0.000 0.409 8 D N -0.581 119.821 120.400 0.003 0.000 2.366 8 D HA 0.242 4.882 4.640 -0.000 0.000 0.205 8 D C -0.196 176.006 176.300 -0.162 0.000 1.022 8 D CA 1.074 55.052 54.000 -0.036 0.000 0.868 8 D CB 0.861 41.703 40.800 0.070 0.000 0.953 8 D HN 0.178 nan 8.370 nan 0.000 0.514 9 V N 0.465 120.297 119.914 -0.138 0.000 2.752 9 V HA 0.263 4.383 4.120 -0.000 0.000 0.302 9 V C -0.641 175.402 176.094 -0.086 0.000 1.133 9 V CA -0.615 61.584 62.300 -0.170 0.000 0.919 9 V CB 2.481 34.144 31.823 -0.268 0.000 1.026 9 V HN -0.184 nan 8.190 nan 0.000 0.429 10 T N 3.937 118.458 114.554 -0.055 0.000 2.812 10 T HA 0.626 4.976 4.350 -0.000 0.000 0.282 10 T C -0.494 174.191 174.700 -0.024 0.000 0.990 10 T CA -0.394 61.686 62.100 -0.034 0.000 0.960 10 T CB 1.784 70.644 68.868 -0.014 0.000 0.948 10 T HN 0.354 nan 8.240 nan 0.000 0.438 11 V N 4.893 124.792 119.914 -0.026 0.000 2.472 11 V HA 0.487 4.607 4.120 -0.000 0.000 0.290 11 V C 0.026 176.125 176.094 0.008 0.000 1.037 11 V CA -0.900 61.395 62.300 -0.009 0.000 0.908 11 V CB 1.501 33.319 31.823 -0.008 0.000 0.985 11 V HN 0.740 nan 8.190 nan 0.000 0.454 12 I N 4.081 124.662 120.570 0.019 0.000 2.306 12 I HA 0.730 4.900 4.170 -0.000 0.000 0.288 12 I C 0.593 176.720 176.117 0.016 0.000 1.036 12 I CA -0.014 61.297 61.300 0.018 0.000 1.221 12 I CB 0.565 38.579 38.000 0.024 0.000 1.385 12 I HN 0.856 nan 8.210 nan 0.000 0.472 13 G N 4.316 113.126 108.800 0.018 0.000 2.592 13 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.685 13 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.685 13 G C -0.344 174.599 174.900 0.071 0.000 1.278 13 G CA -0.262 44.847 45.100 0.015 0.000 0.822 13 G HN 0.824 nan 8.290 nan 0.000 0.652 14 S N 0.312 116.057 115.700 0.075 0.000 2.794 14 S HA 0.645 5.115 4.470 -0.000 0.000 0.244 14 S C 0.980 175.670 174.600 0.149 0.000 1.045 14 S CA 0.731 59.031 58.200 0.167 0.000 1.114 14 S CB 0.375 63.664 63.200 0.148 0.000 1.085 14 S HN 2.047 nan 8.310 nan 0.000 0.488 15 G N 2.149 111.017 108.800 0.112 0.000 2.553 15 G HA2 0.590 4.550 3.960 -0.000 0.000 0.278 15 G HA3 0.590 4.550 3.960 -0.000 0.000 0.278 15 G C -2.799 172.237 174.900 0.226 0.000 1.349 15 G CA -1.719 43.443 45.100 0.103 0.000 1.037 15 G HN 0.374 nan 8.290 nan 0.000 0.508 16 P HA 0.182 nan 4.420 nan 0.000 0.272 16 P C 1.196 178.425 177.300 -0.119 0.000 1.254 16 P CA 1.004 64.118 63.100 0.025 0.000 0.795 16 P CB 0.422 32.127 31.700 0.009 0.000 1.022 17 G N -0.162 108.485 108.800 -0.254 0.000 4.825 17 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.224 17 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.224 17 G C 1.464 176.268 174.900 -0.160 0.000 1.356 17 G CA 0.921 45.904 45.100 -0.194 0.000 0.966 17 G HN 0.774 nan 8.290 nan 0.000 0.690 18 G N 0.489 109.249 108.800 -0.067 0.000 2.480 18 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.216 18 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.216 18 G C 1.652 176.595 174.900 0.073 0.000 1.200 18 G CA 2.340 47.446 45.100 0.009 0.000 0.782 18 G HN 1.418 nan 8.290 nan 0.000 0.554 19 Y N 0.432 120.772 120.300 0.067 0.000 2.314 19 Y HA 0.150 4.700 4.550 -0.000 0.000 0.293 19 Y C 2.463 178.428 175.900 0.108 0.000 1.129 19 Y CA 0.992 59.192 58.100 0.167 0.000 1.201 19 Y CB -0.662 37.793 38.460 -0.008 0.000 0.999 19 Y HN 0.010 nan 8.280 nan 0.000 0.541 20 V N 1.264 120.612 119.914 -0.942 0.000 2.490 20 V HA -0.281 3.839 4.120 -0.000 0.000 0.250 20 V C 2.771 178.727 176.094 -0.231 0.000 1.061 20 V CA 1.754 63.665 62.300 -0.648 0.000 1.064 20 V CB -1.240 30.245 31.823 -0.563 0.000 0.670 20 V HN 0.684 nan 8.190 nan 0.000 0.461 21 A N -0.268 122.450 122.820 -0.170 0.000 1.873 21 A HA -0.056 4.264 4.320 -0.000 0.000 0.215 21 A C 2.453 180.024 177.584 -0.021 0.000 1.186 21 A CA 1.836 53.815 52.037 -0.097 0.000 0.616 21 A CB -0.861 18.076 19.000 -0.105 0.000 0.823 21 A HN 0.556 nan 8.150 nan 0.000 0.442 22 A N 0.177 123.023 122.820 0.043 0.000 1.873 22 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 22 A C 2.160 179.806 177.584 0.104 0.000 1.193 22 A CA 1.795 53.874 52.037 0.071 0.000 0.629 22 A CB -0.747 18.332 19.000 0.131 0.000 0.826 22 A HN 0.506 nan 8.150 nan 0.000 0.447 23 I N -0.970 119.719 120.570 0.198 0.000 2.179 23 I HA -0.259 3.911 4.170 -0.000 0.000 0.242 23 I C 2.578 178.739 176.117 0.074 0.000 1.088 23 I CA 1.890 63.287 61.300 0.162 0.000 1.357 23 I CB -0.274 37.827 38.000 0.169 0.000 1.051 23 I HN 0.287 nan 8.210 nan 0.000 0.409 24 K N 1.711 122.131 120.400 0.033 0.000 2.044 24 K HA -0.184 4.136 4.320 -0.000 0.000 0.210 24 K C 2.038 178.675 176.600 0.061 0.000 1.049 24 K CA 2.049 58.348 56.287 0.020 0.000 0.927 24 K CB -0.607 31.886 32.500 -0.013 0.000 0.713 24 K HN 0.295 nan 8.250 nan 0.000 0.443 25 A N 0.316 123.194 122.820 0.097 0.000 1.940 25 A HA -0.082 4.238 4.320 -0.000 0.000 0.219 25 A C 2.360 180.066 177.584 0.204 0.000 1.176 25 A CA 2.220 54.400 52.037 0.237 0.000 0.631 25 A CB -1.038 18.071 19.000 0.183 0.000 0.814 25 A HN 0.444 nan 8.150 nan 0.000 0.446 26 A N -0.848 122.039 122.820 0.111 0.000 1.930 26 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 26 A C 2.029 179.629 177.584 0.028 0.000 1.175 26 A CA 1.545 53.625 52.037 0.071 0.000 0.627 26 A CB -0.485 18.547 19.000 0.052 0.000 0.815 26 A HN 0.645 nan 8.150 nan 0.000 0.443 27 Q N -0.809 119.005 119.800 0.022 0.000 2.436 27 Q HA 0.136 4.476 4.340 -0.000 0.000 0.209 27 Q C 0.981 176.952 176.000 -0.048 0.000 0.965 27 Q CA 0.463 56.261 55.803 -0.008 0.000 0.910 27 Q CB -0.091 28.645 28.738 -0.003 0.000 0.980 27 Q HN 0.642 nan 8.270 nan 0.000 0.491 28 L N -1.211 119.967 121.223 -0.075 0.000 2.700 28 L HA 0.262 4.602 4.340 -0.000 0.000 0.234 28 L C 0.978 177.654 176.870 -0.324 0.000 1.156 28 L CA 0.182 54.909 54.840 -0.188 0.000 0.946 28 L CB 0.374 42.307 42.059 -0.210 0.000 1.216 28 L HN 0.323 nan 8.230 nan 0.000 0.493 29 G N -0.452 108.223 108.800 -0.208 0.000 2.176 29 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.253 29 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.253 29 G C 0.103 174.894 174.900 -0.181 0.000 0.979 29 G CA -0.437 44.543 45.100 -0.200 0.000 0.641 29 G HN 0.137 nan 8.290 nan 0.000 0.530 30 F N 1.268 121.208 119.950 -0.016 0.000 2.495 30 F HA 0.457 4.984 4.527 -0.000 0.000 0.365 30 F C 0.992 176.781 175.800 -0.019 0.000 1.090 30 F CA -0.495 57.495 58.000 -0.017 0.000 1.235 30 F CB 0.970 39.956 39.000 -0.024 0.000 1.119 30 F HN 0.119 nan 8.300 nan 0.000 0.562 31 K N 2.361 122.873 120.400 0.188 0.000 2.383 31 K HA 0.331 4.651 4.320 -0.000 0.000 0.286 31 K C -0.223 176.419 176.600 0.069 0.000 1.051 31 K CA -0.019 56.323 56.287 0.092 0.000 0.974 31 K CB 0.309 32.848 32.500 0.065 0.000 0.968 31 K HN 0.826 nan 8.250 nan 0.000 0.475 32 T N 0.930 115.500 114.554 0.027 0.000 2.916 32 T HA 0.511 4.861 4.350 -0.000 0.000 0.305 32 T C -1.247 173.415 174.700 -0.063 0.000 1.119 32 T CA -0.821 61.270 62.100 -0.014 0.000 1.008 32 T CB 1.527 70.394 68.868 -0.002 0.000 1.129 32 T HN 0.456 nan 8.240 nan 0.000 0.480 33 V N 1.263 121.133 119.914 -0.073 0.000 2.789 33 V HA 0.836 4.956 4.120 -0.000 0.000 0.311 33 V C -0.984 175.053 176.094 -0.096 0.000 1.073 33 V CA -0.792 61.454 62.300 -0.089 0.000 0.921 33 V CB 1.290 33.084 31.823 -0.048 0.000 1.009 33 V HN 1.379 nan 8.190 nan 0.000 0.426 34 C N 7.587 126.814 119.300 -0.121 0.000 2.344 34 C HA 0.667 5.127 4.460 -0.000 0.000 0.326 34 C C -0.281 174.728 174.990 0.032 0.000 1.201 34 C CA -0.634 58.330 59.018 -0.089 0.000 1.410 34 C CB -0.744 26.834 27.740 -0.271 0.000 2.070 34 C HN 0.890 nan 8.230 nan 0.000 0.445 35 I N 5.004 125.599 120.570 0.043 0.000 2.342 35 I HA 0.404 4.574 4.170 -0.000 0.000 0.291 35 I C -0.096 176.067 176.117 0.077 0.000 1.010 35 I CA 0.399 61.740 61.300 0.069 0.000 1.308 35 I CB 1.168 39.187 38.000 0.033 0.000 1.400 35 I HN 0.673 nan 8.210 nan 0.000 0.488 36 E N 6.516 126.795 120.200 0.132 0.000 2.246 36 E HA 0.215 4.564 4.350 -0.000 0.000 0.266 36 E C 0.326 176.955 176.600 0.049 0.000 0.880 36 E CA -0.832 55.613 56.400 0.075 0.000 0.762 36 E CB 1.461 31.217 29.700 0.093 0.000 1.180 36 E HN 0.553 nan 8.360 nan 0.000 0.416 37 K N 3.449 123.815 120.400 -0.057 0.000 2.217 37 K HA 0.020 4.340 4.320 -0.000 0.000 0.202 37 K C -0.109 176.496 176.600 0.007 0.000 1.051 37 K CA 0.534 56.788 56.287 -0.056 0.000 0.952 37 K CB -0.116 32.234 32.500 -0.250 0.000 0.736 37 K HN 0.452 nan 8.250 nan 0.000 0.453 38 N N 1.062 119.758 118.700 -0.007 0.000 2.408 38 N HA -0.039 4.701 4.740 -0.000 0.000 0.260 38 N C 0.481 176.017 175.510 0.043 0.000 1.242 38 N CA -0.280 52.776 53.050 0.010 0.000 0.959 38 N CB 0.906 39.380 38.487 -0.021 0.000 1.201 38 N HN 0.207 nan 8.380 nan 0.000 0.511 39 E N -0.246 119.975 120.200 0.035 0.000 2.106 39 E HA -0.116 4.234 4.350 -0.000 0.000 0.192 39 E C 0.188 176.819 176.600 0.052 0.000 0.984 39 E CA 0.868 57.297 56.400 0.047 0.000 0.806 39 E CB 0.231 29.949 29.700 0.031 0.000 0.750 39 E HN 0.655 nan 8.360 nan 0.000 0.458 40 T N -1.899 112.665 114.554 0.016 0.000 2.940 40 T HA 0.532 4.882 4.350 -0.000 0.000 0.288 40 T C 0.182 174.852 174.700 -0.050 0.000 1.033 40 T CA -1.018 61.073 62.100 -0.014 0.000 1.033 40 T CB 1.438 70.284 68.868 -0.036 0.000 1.079 40 T HN 0.022 nan 8.240 nan 0.000 0.496 41 L N 0.768 121.923 121.223 -0.114 0.000 2.469 41 L HA 0.655 4.995 4.340 -0.000 0.000 0.253 41 L C 1.682 178.436 176.870 -0.192 0.000 1.143 41 L CA -0.239 54.496 54.840 -0.175 0.000 0.804 41 L CB 0.516 42.399 42.059 -0.293 0.000 1.214 41 L HN 1.139 nan 8.230 nan 0.000 0.476 42 G N -0.777 107.898 108.800 -0.209 0.000 2.211 42 G HA2 0.072 4.032 3.960 -0.000 0.000 0.201 42 G HA3 0.072 4.032 3.960 -0.000 0.000 0.201 42 G C 0.568 175.425 174.900 -0.070 0.000 0.997 42 G CA -0.077 44.905 45.100 -0.198 0.000 0.652 42 G HN 1.387 nan 8.290 nan 0.000 0.500 43 G N -0.858 107.910 108.800 -0.053 0.000 2.641 43 G HA2 0.074 4.034 3.960 -0.000 0.000 0.254 43 G HA3 0.074 4.034 3.960 -0.000 0.000 0.254 43 G C 1.270 176.144 174.900 -0.042 0.000 1.315 43 G CA 1.848 46.926 45.100 -0.037 0.000 0.907 43 G HN 1.987 nan 8.290 nan 0.000 0.572 44 T N -2.227 112.304 114.554 -0.039 0.000 2.942 44 T HA -0.089 4.261 4.350 -0.000 0.000 0.265 44 T C 2.646 177.337 174.700 -0.015 0.000 1.062 44 T CA 2.609 64.689 62.100 -0.033 0.000 1.139 44 T CB -0.772 68.075 68.868 -0.035 0.000 0.883 44 T HN 1.758 nan 8.240 nan 0.000 0.468 45 C N 0.687 119.984 119.300 -0.006 0.000 2.391 45 C HA -0.003 4.457 4.460 -0.000 0.000 0.276 45 C C 2.431 177.415 174.990 -0.010 0.000 1.217 45 C CA 1.206 60.225 59.018 0.002 0.000 1.766 45 C CB -1.635 26.114 27.740 0.015 0.000 2.046 45 C HN 0.698 nan 8.230 nan 0.000 0.475 46 L N 0.598 121.807 121.223 -0.024 0.000 2.515 46 L HA 0.334 4.674 4.340 -0.000 0.000 0.223 46 L C 1.949 178.792 176.870 -0.045 0.000 1.079 46 L CA 1.458 56.272 54.840 -0.042 0.000 0.857 46 L CB -0.735 41.283 42.059 -0.068 0.000 1.050 46 L HN 0.294 nan 8.230 nan 0.000 0.476 47 N N -0.616 118.060 118.700 -0.040 0.000 2.409 47 N HA 0.063 4.803 4.740 -0.000 0.000 0.174 47 N C 1.052 176.550 175.510 -0.020 0.000 1.037 47 N CA 1.445 54.474 53.050 -0.035 0.000 0.898 47 N CB 0.998 39.461 38.487 -0.041 0.000 1.010 47 N HN 0.367 nan 8.380 nan 0.000 0.445 48 V N -4.173 115.734 119.914 -0.012 0.000 3.899 48 V HA 0.548 4.668 4.120 -0.000 0.000 0.397 48 V C 0.476 176.578 176.094 0.013 0.000 1.633 48 V CA 0.130 62.432 62.300 0.003 0.000 1.575 48 V CB 0.375 32.202 31.823 0.006 0.000 1.066 48 V HN 0.066 nan 8.190 nan 0.000 0.504 49 G N -0.535 108.269 108.800 0.007 0.000 3.306 49 G HA2 0.179 4.138 3.960 -0.000 0.000 0.202 49 G HA3 0.179 4.138 3.960 -0.000 0.000 0.202 49 G C 1.094 176.002 174.900 0.013 0.000 1.673 49 G CA 0.681 45.791 45.100 0.018 0.000 0.776 49 G HN 0.251 nan 8.290 nan 0.000 0.740 50 C N 0.409 119.715 119.300 0.009 0.000 2.359 50 C HA -0.122 4.338 4.460 -0.000 0.000 0.279 50 C C 2.963 177.923 174.990 -0.050 0.000 1.191 50 C CA 1.395 60.409 59.018 -0.006 0.000 1.764 50 C CB -1.188 26.553 27.740 0.001 0.000 2.026 50 C HN 0.408 nan 8.230 nan 0.000 0.442 51 I N 2.159 122.696 120.570 -0.054 0.000 2.087 51 I HA -0.161 4.009 4.170 -0.000 0.000 0.240 51 I C -0.150 175.935 176.117 -0.054 0.000 1.054 51 I CA 2.120 63.380 61.300 -0.065 0.000 1.311 51 I CB -3.193 34.775 38.000 -0.054 0.000 1.024 51 I HN 0.303 nan 8.210 nan 0.000 0.402 52 P HA -0.096 nan 4.420 nan 0.000 0.215 52 P C 1.954 179.239 177.300 -0.025 0.000 1.157 52 P CA 2.130 65.217 63.100 -0.021 0.000 0.868 52 P CB -0.189 31.509 31.700 -0.002 0.000 0.788 53 S N -1.596 114.094 115.700 -0.016 0.000 2.481 53 S HA -0.015 4.455 4.470 -0.000 0.000 0.231 53 S C 1.811 176.386 174.600 -0.042 0.000 0.996 53 S CA 0.808 59.002 58.200 -0.010 0.000 0.942 53 S CB -0.578 62.640 63.200 0.031 0.000 0.768 53 S HN -0.053 nan 8.310 nan 0.000 0.520 54 K N 2.210 122.561 120.400 -0.082 0.000 2.103 54 K HA 0.363 4.682 4.320 -0.000 0.000 0.204 54 K C 2.211 178.752 176.600 -0.099 0.000 1.052 54 K CA 1.091 57.292 56.287 -0.145 0.000 0.945 54 K CB -1.006 31.356 32.500 -0.230 0.000 0.722 54 K HN 0.424 nan 8.250 nan 0.000 0.443 55 A N 0.417 123.194 122.820 -0.072 0.000 1.898 55 A HA -0.063 4.257 4.320 -0.000 0.000 0.216 55 A C 2.100 179.654 177.584 -0.050 0.000 1.181 55 A CA 1.128 53.137 52.037 -0.047 0.000 0.620 55 A CB -0.555 18.423 19.000 -0.037 0.000 0.819 55 A HN 0.207 nan 8.150 nan 0.000 0.442 56 L N -0.680 120.498 121.223 -0.075 0.000 2.141 56 L HA -0.109 4.231 4.340 -0.000 0.000 0.209 56 L C 2.483 179.283 176.870 -0.117 0.000 1.094 56 L CA 0.713 55.477 54.840 -0.126 0.000 0.763 56 L CB -0.497 41.453 42.059 -0.181 0.000 0.908 56 L HN 0.370 nan 8.230 nan 0.000 0.437 57 L N -0.230 120.947 121.223 -0.077 0.000 2.093 57 L HA -0.232 4.108 4.340 -0.000 0.000 0.208 57 L C 2.452 179.300 176.870 -0.036 0.000 1.085 57 L CA 1.369 56.183 54.840 -0.044 0.000 0.755 57 L CB -0.529 41.529 42.059 -0.002 0.000 0.904 57 L HN 0.436 nan 8.230 nan 0.000 0.435 58 N N 0.164 118.838 118.700 -0.044 0.000 2.135 58 N HA -0.165 4.575 4.740 -0.000 0.000 0.186 58 N C 1.480 176.989 175.510 -0.001 0.000 1.027 58 N CA 1.316 54.330 53.050 -0.059 0.000 0.849 58 N CB 0.010 38.491 38.487 -0.009 0.000 1.002 58 N HN 0.453 nan 8.380 nan 0.000 0.425 59 N N 0.235 118.974 118.700 0.066 0.000 2.142 59 N HA -0.131 4.609 4.740 -0.000 0.000 0.186 59 N C 1.958 177.524 175.510 0.094 0.000 1.023 59 N CA 1.465 54.594 53.050 0.133 0.000 0.852 59 N CB -0.095 38.422 38.487 0.049 0.000 0.998 59 N HN 0.293 nan 8.380 nan 0.000 0.424 60 S N 0.605 116.303 115.700 -0.004 0.000 2.399 60 S HA -0.222 4.248 4.470 -0.000 0.000 0.231 60 S C 1.871 176.525 174.600 0.089 0.000 1.022 60 S CA 1.176 59.376 58.200 0.000 0.000 0.983 60 S CB -0.538 62.587 63.200 -0.126 0.000 0.803 60 S HN 0.461 nan 8.310 nan 0.000 0.480 61 H N 0.549 119.577 119.070 -0.071 0.000 2.326 61 H HA -0.033 4.522 4.556 -0.000 0.000 0.301 61 H C 1.729 177.016 175.328 -0.068 0.000 1.081 61 H CA 1.914 57.892 56.048 -0.116 0.000 1.334 61 H CB -0.760 28.826 29.762 -0.292 0.000 1.385 61 H HN 0.413 nan 8.280 nan 0.000 0.504 62 Y N -0.512 119.700 120.300 -0.147 0.000 2.128 62 Y HA -0.241 4.309 4.550 -0.000 0.000 0.284 62 Y C 2.536 178.275 175.900 -0.268 0.000 1.154 62 Y CA 1.654 59.599 58.100 -0.258 0.000 1.149 62 Y CB -1.325 37.081 38.460 -0.091 0.000 0.976 62 Y HN 0.383 nan 8.280 nan 0.000 0.505 63 Y N -0.203 120.082 120.300 -0.025 0.000 2.256 63 Y HA -0.293 4.257 4.550 -0.000 0.000 0.288 63 Y C 2.668 178.529 175.900 -0.066 0.000 1.155 63 Y CA 2.112 60.168 58.100 -0.074 0.000 1.203 63 Y CB -0.591 37.833 38.460 -0.060 0.000 0.980 63 Y HN 0.263 nan 8.280 nan 0.000 0.530 64 H N -0.244 118.704 119.070 -0.204 0.000 2.333 64 H HA -0.101 4.455 4.556 -0.000 0.000 0.302 64 H C 2.045 177.170 175.328 -0.339 0.000 1.075 64 H CA 2.315 58.215 56.048 -0.248 0.000 1.348 64 H CB -0.343 29.366 29.762 -0.089 0.000 1.393 64 H HN 0.350 nan 8.280 nan 0.000 0.509 65 M N -0.332 118.959 119.600 -0.515 0.000 2.195 65 M HA -0.191 4.289 4.480 -0.000 0.000 0.260 65 M C 2.446 178.305 176.300 -0.734 0.000 1.066 65 M CA 1.757 56.727 55.300 -0.550 0.000 1.089 65 M CB -0.268 32.069 32.600 -0.439 0.000 1.377 65 M HN 0.473 nan 8.290 nan 0.000 0.411 66 A N -1.433 120.836 122.820 -0.917 0.000 1.935 66 A HA -0.120 4.200 4.320 -0.000 0.000 0.214 66 A C 1.979 179.284 177.584 -0.466 0.000 1.178 66 A CA 0.986 52.482 52.037 -0.903 0.000 0.640 66 A CB -0.819 17.703 19.000 -0.797 0.000 0.825 66 A HN 0.540 nan 8.150 nan 0.000 0.447 67 H N -0.505 118.178 119.070 -0.646 0.000 2.525 67 H HA 0.114 4.670 4.556 -0.000 0.000 0.275 67 H C 1.372 176.488 175.328 -0.354 0.000 0.984 67 H CA 0.861 56.585 56.048 -0.541 0.000 1.264 67 H CB 0.162 29.370 29.762 -0.923 0.000 1.432 67 H HN 0.466 nan 8.280 nan 0.000 0.549 68 G N 0.278 108.810 108.800 -0.445 0.000 2.882 68 G HA2 0.077 4.037 3.960 -0.000 0.000 0.164 68 G HA3 0.077 4.037 3.960 -0.000 0.000 0.164 68 G C 0.682 175.425 174.900 -0.262 0.000 1.429 68 G CA -0.314 44.562 45.100 -0.374 0.000 1.059 68 G HN 0.238 nan 8.290 nan 0.000 0.581 69 K N -0.159 120.127 120.400 -0.189 0.000 2.353 69 K HA 0.143 4.463 4.320 -0.000 0.000 0.195 69 K C 1.280 177.855 176.600 -0.041 0.000 1.031 69 K CA 0.606 56.837 56.287 -0.094 0.000 1.079 69 K CB 0.482 32.947 32.500 -0.058 0.000 0.857 69 K HN 0.431 nan 8.250 nan 0.000 0.535 70 D N 1.013 121.379 120.400 -0.056 0.000 2.092 70 D HA -0.174 4.466 4.640 -0.000 0.000 0.193 70 D C 1.335 177.734 176.300 0.165 0.000 0.994 70 D CA 1.312 55.340 54.000 0.046 0.000 0.828 70 D CB 0.024 40.849 40.800 0.042 0.000 0.963 70 D HN 0.077 nan 8.370 nan 0.000 0.450 71 F N 0.486 120.370 119.950 -0.111 0.000 2.259 71 F HA 0.189 4.716 4.527 -0.000 0.000 0.298 71 F C 2.291 178.050 175.800 -0.069 0.000 1.088 71 F CA 0.772 58.722 58.000 -0.083 0.000 1.358 71 F CB -0.831 38.112 39.000 -0.095 0.000 1.040 71 F HN 0.019 nan 8.300 nan 0.000 0.505 72 A N -0.171 122.723 122.820 0.124 0.000 1.877 72 A HA -0.205 4.115 4.320 -0.000 0.000 0.216 72 A C 2.339 179.927 177.584 0.008 0.000 1.186 72 A CA 2.073 54.134 52.037 0.039 0.000 0.620 72 A CB -1.309 17.693 19.000 0.003 0.000 0.822 72 A HN 0.377 nan 8.150 nan 0.000 0.443 73 S N -0.345 115.361 115.700 0.010 0.000 2.500 73 S HA -0.116 4.354 4.470 -0.000 0.000 0.239 73 S C 1.418 176.009 174.600 -0.016 0.000 0.989 73 S CA 1.167 59.366 58.200 -0.001 0.000 0.951 73 S CB -0.382 62.823 63.200 0.008 0.000 0.759 73 S HN 0.602 nan 8.310 nan 0.000 0.523 74 R N 0.518 120.994 120.500 -0.040 0.000 2.427 74 R HA 0.349 4.689 4.340 -0.000 0.000 0.262 74 R C 1.344 177.588 176.300 -0.093 0.000 0.943 74 R CA 0.301 56.351 56.100 -0.082 0.000 1.081 74 R CB -0.055 30.152 30.300 -0.155 0.000 1.166 74 R HN 0.486 nan 8.270 nan 0.000 0.534 75 G N 1.546 110.309 108.800 -0.063 0.000 2.153 75 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.252 75 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.252 75 G C 0.240 175.097 174.900 -0.072 0.000 0.994 75 G CA -0.054 45.011 45.100 -0.057 0.000 0.698 75 G HN 0.364 nan 8.290 nan 0.000 0.521 76 I N 1.478 121.994 120.570 -0.090 0.000 2.261 76 I HA 0.178 4.348 4.170 -0.000 0.000 0.285 76 I C 0.016 176.137 176.117 0.008 0.000 1.113 76 I CA -0.712 60.539 61.300 -0.082 0.000 1.377 76 I CB 0.236 38.100 38.000 -0.227 0.000 1.530 76 I HN -0.004 nan 8.210 nan 0.000 0.607 77 E N 5.076 125.276 120.200 -0.001 0.000 2.417 77 E HA 0.276 4.625 4.350 -0.000 0.000 0.261 77 E C -0.339 176.274 176.600 0.022 0.000 1.000 77 E CA 0.503 56.908 56.400 0.009 0.000 0.919 77 E CB 0.995 30.694 29.700 -0.002 0.000 0.955 77 E HN 0.449 nan 8.360 nan 0.000 0.455 78 M N 1.206 120.823 119.600 0.029 0.000 2.518 78 M HA 0.159 4.639 4.480 -0.000 0.000 0.300 78 M C 1.194 177.505 176.300 0.019 0.000 1.175 78 M CA -0.599 54.721 55.300 0.034 0.000 0.890 78 M CB 2.256 34.891 32.600 0.059 0.000 1.710 78 M HN 0.477 nan 8.290 nan 0.000 0.453 79 S N 1.349 117.062 115.700 0.021 0.000 2.516 79 S HA -0.104 4.365 4.470 -0.000 0.000 0.227 79 S C 0.185 174.797 174.600 0.020 0.000 1.221 79 S CA 1.312 59.523 58.200 0.018 0.000 1.780 79 S CB 0.125 63.338 63.200 0.022 0.000 0.988 79 S HN 0.769 nan 8.310 nan 0.000 0.380 80 E N -0.208 120.012 120.200 0.032 0.000 2.308 80 E HA 0.453 4.803 4.350 -0.000 0.000 0.275 80 E C -1.818 174.825 176.600 0.072 0.000 0.890 80 E CA -0.656 55.774 56.400 0.049 0.000 0.754 80 E CB 1.877 31.608 29.700 0.052 0.000 1.207 80 E HN 0.281 nan 8.360 nan 0.000 0.426 81 V N 4.747 124.729 119.914 0.113 0.000 2.432 81 V HA 0.420 4.540 4.120 -0.000 0.000 0.275 81 V C 0.281 176.486 176.094 0.185 0.000 1.043 81 V CA -0.209 62.170 62.300 0.131 0.000 0.925 81 V CB 1.043 32.931 31.823 0.107 0.000 0.985 81 V HN 0.596 nan 8.190 nan 0.000 0.466 82 R N 3.854 124.439 120.500 0.141 0.000 2.670 82 R HA 0.540 4.880 4.340 -0.000 0.000 0.289 82 R C -1.256 175.102 176.300 0.095 0.000 0.965 82 R CA -0.918 55.247 56.100 0.110 0.000 0.899 82 R CB 2.126 32.459 30.300 0.056 0.000 1.173 82 R HN 0.482 nan 8.270 nan 0.000 0.456 83 L N 3.824 125.040 121.223 -0.012 0.000 2.264 83 L HA 0.310 4.650 4.340 -0.000 0.000 0.289 83 L C -0.694 176.111 176.870 -0.108 0.000 1.044 83 L CA 0.075 54.811 54.840 -0.174 0.000 0.807 83 L CB 1.004 42.769 42.059 -0.489 0.000 1.192 83 L HN 0.762 nan 8.230 nan 0.000 0.425 84 N N 4.943 123.599 118.700 -0.075 0.000 2.817 84 N HA 0.054 4.794 4.740 -0.000 0.000 0.234 84 N C 0.982 176.461 175.510 -0.052 0.000 1.066 84 N CA -0.583 52.438 53.050 -0.048 0.000 0.926 84 N CB 0.830 39.302 38.487 -0.024 0.000 1.176 84 N HN 0.705 nan 8.380 nan 0.000 0.506 85 L N 3.436 124.626 121.223 -0.055 0.000 2.051 85 L HA -0.222 4.118 4.340 -0.000 0.000 0.214 85 L C 1.609 178.473 176.870 -0.009 0.000 1.076 85 L CA 1.909 56.730 54.840 -0.032 0.000 0.758 85 L CB -0.546 41.522 42.059 0.015 0.000 0.890 85 L HN 0.570 nan 8.230 nan 0.000 0.433 86 D N -0.257 120.140 120.400 -0.005 0.000 2.269 86 D HA -0.299 4.341 4.640 -0.000 0.000 0.191 86 D C 2.209 178.505 176.300 -0.008 0.000 1.007 86 D CA 1.868 55.866 54.000 -0.003 0.000 0.855 86 D CB -0.146 40.651 40.800 -0.006 0.000 0.979 86 D HN 0.176 nan 8.370 nan 0.000 0.452 87 K N 0.153 120.545 120.400 -0.014 0.000 2.147 87 K HA -0.062 4.258 4.320 -0.000 0.000 0.205 87 K C 2.148 178.738 176.600 -0.017 0.000 1.049 87 K CA 0.861 57.140 56.287 -0.014 0.000 0.936 87 K CB -0.399 32.093 32.500 -0.014 0.000 0.722 87 K HN 0.192 nan 8.250 nan 0.000 0.446 88 M N -0.703 118.881 119.600 -0.026 0.000 2.117 88 M HA -0.174 4.306 4.480 -0.000 0.000 0.262 88 M C 1.587 177.871 176.300 -0.026 0.000 1.065 88 M CA 1.469 56.748 55.300 -0.034 0.000 1.114 88 M CB -0.011 32.549 32.600 -0.068 0.000 1.361 88 M HN 0.142 nan 8.290 nan 0.000 0.408 89 M N -0.096 119.496 119.600 -0.014 0.000 2.117 89 M HA -0.201 4.278 4.480 -0.000 0.000 0.262 89 M C 2.056 178.354 176.300 -0.004 0.000 1.065 89 M CA 1.702 57.002 55.300 -0.000 0.000 1.114 89 M CB -1.544 31.069 32.600 0.022 0.000 1.361 89 M HN 0.444 nan 8.290 nan 0.000 0.408 90 E N 0.506 120.703 120.200 -0.005 0.000 2.110 90 E HA -0.274 4.076 4.350 -0.000 0.000 0.193 90 E C 1.902 178.496 176.600 -0.010 0.000 0.988 90 E CA 1.578 57.974 56.400 -0.006 0.000 0.804 90 E CB 0.014 29.710 29.700 -0.007 0.000 0.745 90 E HN 0.581 nan 8.360 nan 0.000 0.458 91 Q N 1.654 121.448 119.800 -0.011 0.000 2.135 91 Q HA -0.225 4.115 4.340 -0.000 0.000 0.204 91 Q C 2.046 178.039 176.000 -0.012 0.000 0.981 91 Q CA 2.311 58.108 55.803 -0.010 0.000 0.856 91 Q CB -0.327 28.407 28.738 -0.007 0.000 0.902 91 Q HN 0.175 nan 8.270 nan 0.000 0.425 92 K N -0.162 120.230 120.400 -0.014 0.000 2.025 92 K HA -0.097 4.223 4.320 -0.000 0.000 0.207 92 K C 1.988 178.578 176.600 -0.017 0.000 1.049 92 K CA 1.639 57.916 56.287 -0.017 0.000 0.933 92 K CB -0.255 32.235 32.500 -0.018 0.000 0.714 92 K HN 0.311 nan 8.250 nan 0.000 0.438 93 S N 0.449 116.142 115.700 -0.012 0.000 2.399 93 S HA -0.113 4.357 4.470 -0.000 0.000 0.231 93 S C 1.889 176.478 174.600 -0.018 0.000 1.022 93 S CA 1.663 59.855 58.200 -0.013 0.000 0.983 93 S CB -0.370 62.825 63.200 -0.008 0.000 0.803 93 S HN 0.427 nan 8.310 nan 0.000 0.480 94 T N 2.285 116.828 114.554 -0.018 0.000 2.701 94 T HA -0.004 4.346 4.350 -0.000 0.000 0.263 94 T C 2.213 176.898 174.700 -0.025 0.000 1.040 94 T CA 1.241 63.329 62.100 -0.020 0.000 1.147 94 T CB -0.528 68.330 68.868 -0.017 0.000 0.865 94 T HN 0.474 nan 8.240 nan 0.000 0.426 95 A N 0.937 123.743 122.820 -0.025 0.000 1.873 95 A HA -0.107 4.212 4.320 -0.000 0.000 0.218 95 A C 2.555 180.116 177.584 -0.038 0.000 1.193 95 A CA 1.874 53.893 52.037 -0.030 0.000 0.629 95 A CB -1.211 17.771 19.000 -0.030 0.000 0.826 95 A HN 0.354 nan 8.150 nan 0.000 0.447 96 V N 0.208 120.100 119.914 -0.037 0.000 2.255 96 V HA -0.329 3.791 4.120 -0.000 0.000 0.247 96 V C 2.563 178.627 176.094 -0.049 0.000 1.051 96 V CA 2.608 64.882 62.300 -0.044 0.000 1.018 96 V CB -0.761 31.040 31.823 -0.036 0.000 0.641 96 V HN 0.715 nan 8.190 nan 0.000 0.445 97 K N 0.097 120.473 120.400 -0.040 0.000 2.044 97 K HA -0.246 4.074 4.320 -0.000 0.000 0.210 97 K C 2.192 178.762 176.600 -0.049 0.000 1.049 97 K CA 1.802 58.064 56.287 -0.041 0.000 0.927 97 K CB -0.488 31.994 32.500 -0.031 0.000 0.713 97 K HN 0.432 nan 8.250 nan 0.000 0.443 98 A N 1.059 123.852 122.820 -0.045 0.000 1.859 98 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 98 A C 2.180 179.726 177.584 -0.062 0.000 1.198 98 A CA 1.870 53.878 52.037 -0.048 0.000 0.629 98 A CB -0.866 18.109 19.000 -0.041 0.000 0.830 98 A HN 0.349 nan 8.150 nan 0.000 0.446 99 L N -0.193 120.989 121.223 -0.069 0.000 2.046 99 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 99 L C 3.029 179.820 176.870 -0.133 0.000 1.077 99 L CA 1.848 56.633 54.840 -0.091 0.000 0.747 99 L CB -0.959 41.049 42.059 -0.085 0.000 0.896 99 L HN 0.682 nan 8.230 nan 0.000 0.432 100 T N -3.151 111.328 114.554 -0.124 0.000 2.803 100 T HA -0.152 4.198 4.350 -0.000 0.000 0.269 100 T C 1.817 176.428 174.700 -0.149 0.000 1.052 100 T CA 1.257 63.266 62.100 -0.152 0.000 1.136 100 T CB -0.849 67.954 68.868 -0.107 0.000 0.864 100 T HN 0.434 nan 8.240 nan 0.000 0.467 101 G N 0.852 109.592 108.800 -0.100 0.000 2.426 101 G HA2 0.272 4.232 3.960 -0.000 0.000 0.214 101 G HA3 0.272 4.232 3.960 -0.000 0.000 0.214 101 G C 1.743 176.604 174.900 -0.066 0.000 1.156 101 G CA 0.411 45.468 45.100 -0.070 0.000 0.802 101 G HN 0.624 nan 8.290 nan 0.000 0.534 102 G N 1.385 110.140 108.800 -0.075 0.000 2.547 102 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.221 102 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.221 102 G C 1.722 176.550 174.900 -0.120 0.000 1.140 102 G CA 1.010 46.077 45.100 -0.055 0.000 0.760 102 G HN 0.446 nan 8.290 nan 0.000 0.583 103 I N 1.020 121.425 120.570 -0.273 0.000 2.286 103 I HA -0.074 4.096 4.170 -0.000 0.000 0.245 103 I C 3.284 179.130 176.117 -0.452 0.000 1.104 103 I CA 0.729 61.718 61.300 -0.519 0.000 1.397 103 I CB -0.246 37.259 38.000 -0.824 0.000 1.072 103 I HN 0.251 nan 8.210 nan 0.000 0.417 104 A N 0.189 122.862 122.820 -0.244 0.000 1.908 104 A HA -0.316 4.004 4.320 -0.000 0.000 0.218 104 A C 2.322 179.933 177.584 0.045 0.000 1.181 104 A CA 1.944 53.944 52.037 -0.062 0.000 0.627 104 A CB -1.223 17.780 19.000 0.005 0.000 0.818 104 A HN 0.547 nan 8.150 nan 0.000 0.445 105 H N -0.409 118.625 119.070 -0.061 0.000 2.421 105 H HA -0.028 4.528 4.556 -0.000 0.000 0.298 105 H C 1.861 177.191 175.328 0.004 0.000 1.087 105 H CA 1.449 57.487 56.048 -0.017 0.000 1.330 105 H CB -0.034 29.710 29.762 -0.029 0.000 1.388 105 H HN 0.444 nan 8.280 nan 0.000 0.526 106 L N -0.314 120.800 121.223 -0.182 0.000 2.044 106 L HA -0.164 4.176 4.340 -0.000 0.000 0.205 106 L C 2.506 179.379 176.870 0.005 0.000 1.075 106 L CA 0.597 55.332 54.840 -0.175 0.000 0.747 106 L CB -0.547 41.433 42.059 -0.133 0.000 0.903 106 L HN 0.197 nan 8.230 nan 0.000 0.435 107 F N 1.036 120.949 119.950 -0.062 0.000 2.126 107 F HA -0.265 4.262 4.527 -0.000 0.000 0.299 107 F C 2.633 178.416 175.800 -0.029 0.000 1.096 107 F CA 1.483 59.467 58.000 -0.027 0.000 1.255 107 F CB -0.765 38.218 39.000 -0.029 0.000 0.997 107 F HN 0.094 nan 8.300 nan 0.000 0.479 108 K N 0.708 121.203 120.400 0.159 0.000 2.026 108 K HA -0.232 4.088 4.320 -0.000 0.000 0.208 108 K C 2.081 178.691 176.600 0.017 0.000 1.048 108 K CA 1.792 58.130 56.287 0.085 0.000 0.929 108 K CB -0.256 32.310 32.500 0.109 0.000 0.713 108 K HN 0.461 nan 8.250 nan 0.000 0.439 109 Q N -0.295 119.453 119.800 -0.086 0.000 2.172 109 Q HA -0.047 4.293 4.340 -0.000 0.000 0.200 109 Q C 1.103 177.085 176.000 -0.029 0.000 0.964 109 Q CA 1.139 56.893 55.803 -0.081 0.000 0.855 109 Q CB -0.178 28.448 28.738 -0.186 0.000 0.918 109 Q HN 0.244 nan 8.270 nan 0.000 0.444 110 N N 1.267 119.965 118.700 -0.003 0.000 2.515 110 N HA 0.008 4.748 4.740 -0.000 0.000 0.191 110 N C -0.483 175.049 175.510 0.036 0.000 1.182 110 N CA 0.384 53.452 53.050 0.029 0.000 0.879 110 N CB 0.184 38.712 38.487 0.068 0.000 0.984 110 N HN 0.312 nan 8.380 nan 0.000 0.453 111 K N 0.000 120.419 120.400 0.031 0.000 3.071 111 K HA -0.144 4.176 4.320 -0.000 0.000 0.265 111 K C -0.715 175.886 176.600 0.002 0.000 1.060 111 K CA 0.182 56.481 56.287 0.020 0.000 0.767 111 K CB -1.487 31.021 32.500 0.014 0.000 1.241 111 K HN -0.010 nan 8.250 nan 0.000 0.486 112 V N 1.170 121.077 119.914 -0.012 0.000 2.607 112 V HA 0.219 4.339 4.120 -0.000 0.000 0.289 112 V C 0.623 176.626 176.094 -0.151 0.000 1.053 112 V CA -0.592 61.626 62.300 -0.137 0.000 0.996 112 V CB 1.849 33.460 31.823 -0.353 0.000 0.995 112 V HN 0.027 nan 8.190 nan 0.000 0.476 113 V N 4.241 124.060 119.914 -0.159 0.000 2.398 113 V HA 0.322 4.442 4.120 -0.000 0.000 0.286 113 V C -0.453 175.595 176.094 -0.077 0.000 1.026 113 V CA -0.588 61.665 62.300 -0.079 0.000 0.868 113 V CB 1.322 33.113 31.823 -0.052 0.000 0.982 113 V HN 0.929 nan 8.190 nan 0.000 0.443 114 H N 4.680 123.676 119.070 -0.123 0.000 2.595 114 H HA 0.588 5.144 4.556 -0.000 0.000 0.313 114 H C -1.102 174.201 175.328 -0.042 0.000 1.023 114 H CA -0.771 55.215 56.048 -0.104 0.000 1.218 114 H CB 1.425 31.184 29.762 -0.004 0.000 1.403 114 H HN 0.341 nan 8.280 nan 0.000 0.477 115 V N 6.117 125.999 119.914 -0.052 0.000 2.350 115 V HA 0.143 4.263 4.120 -0.000 0.000 0.276 115 V C 0.442 176.424 176.094 -0.188 0.000 1.028 115 V CA -0.831 61.358 62.300 -0.184 0.000 0.860 115 V CB 0.699 32.487 31.823 -0.058 0.000 0.990 115 V HN 0.885 nan 8.190 nan 0.000 0.453 116 N N 3.987 122.499 118.700 -0.313 0.000 2.439 116 N HA 0.569 5.309 4.740 -0.000 0.000 0.243 116 N C 0.086 175.586 175.510 -0.015 0.000 1.088 116 N CA 0.367 53.358 53.050 -0.098 0.000 0.940 116 N CB 0.423 38.847 38.487 -0.105 0.000 1.180 116 N HN 0.953 nan 8.380 nan 0.000 0.505 117 G N 1.802 110.623 108.800 0.036 0.000 2.342 117 G HA2 0.121 4.081 3.960 -0.000 0.000 0.297 117 G HA3 0.121 4.081 3.960 -0.000 0.000 0.297 117 G C -2.432 172.534 174.900 0.110 0.000 1.313 117 G CA -0.679 44.466 45.100 0.075 0.000 0.830 117 G HN 0.354 nan 8.290 nan 0.000 0.506 118 Y N 1.331 121.653 120.300 0.038 0.000 2.369 118 Y HA 0.594 5.144 4.550 -0.000 0.000 0.337 118 Y C 0.714 176.644 175.900 0.050 0.000 0.961 118 Y CA -0.363 57.769 58.100 0.053 0.000 1.186 118 Y CB 1.213 39.708 38.460 0.057 0.000 1.139 118 Y HN 0.739 nan 8.280 nan 0.000 0.494 119 G N 5.176 114.088 108.800 0.186 0.000 2.390 119 G HA2 0.356 4.316 3.960 -0.000 0.000 0.270 119 G HA3 0.356 4.316 3.960 -0.000 0.000 0.270 119 G C -1.178 173.858 174.900 0.227 0.000 1.211 119 G CA -0.655 44.539 45.100 0.157 0.000 0.842 119 G HN 0.604 nan 8.290 nan 0.000 0.519 120 K N 2.394 122.887 120.400 0.156 0.000 2.426 120 K HA 0.407 4.727 4.320 -0.000 0.000 0.254 120 K C -0.095 176.549 176.600 0.074 0.000 0.936 120 K CA -0.843 55.516 56.287 0.120 0.000 0.801 120 K CB 1.341 33.897 32.500 0.093 0.000 1.139 120 K HN 0.409 nan 8.250 nan 0.000 0.424 121 I N 4.629 125.235 120.570 0.060 0.000 2.483 121 I HA 0.003 4.173 4.170 -0.000 0.000 0.291 121 I C 0.768 176.903 176.117 0.030 0.000 1.112 121 I CA 0.094 61.418 61.300 0.040 0.000 1.350 121 I CB 0.525 38.545 38.000 0.033 0.000 1.419 121 I HN 0.695 nan 8.210 nan 0.000 0.523 122 T N 1.563 116.132 114.554 0.026 0.000 3.264 122 T HA 0.507 4.857 4.350 -0.000 0.000 0.257 122 T C 0.443 175.151 174.700 0.012 0.000 0.976 122 T CA -0.464 61.647 62.100 0.019 0.000 0.908 122 T CB 0.096 68.975 68.868 0.019 0.000 1.082 122 T HN 0.940 nan 8.240 nan 0.000 0.567 123 G N 1.023 109.829 108.800 0.011 0.000 2.404 123 G HA2 0.105 4.065 3.960 -0.000 0.000 0.230 123 G HA3 0.105 4.065 3.960 -0.000 0.000 0.230 123 G C 0.109 175.011 174.900 0.004 0.000 1.516 123 G CA -0.513 44.591 45.100 0.006 0.000 1.026 123 G HN 0.125 nan 8.290 nan 0.000 0.660 124 K N 0.271 120.671 120.400 0.000 0.000 2.805 124 K HA -0.322 3.997 4.320 -0.000 0.000 0.196 124 K C 1.201 177.800 176.600 -0.000 0.000 0.828 124 K CA 2.509 58.793 56.287 -0.004 0.000 0.918 124 K CB -0.173 32.323 32.500 -0.007 0.000 1.449 124 K HN 0.522 nan 8.250 nan 0.000 0.571 125 N N 0.719 119.420 118.700 0.002 0.000 2.458 125 N HA 0.029 4.769 4.740 -0.000 0.000 0.274 125 N C -0.840 174.674 175.510 0.007 0.000 1.242 125 N CA 0.075 53.128 53.050 0.005 0.000 0.904 125 N CB 1.141 39.630 38.487 0.005 0.000 1.206 125 N HN 0.356 nan 8.380 nan 0.000 0.510 126 Q N -0.008 119.797 119.800 0.009 0.000 2.386 126 Q HA 0.401 4.741 4.340 -0.000 0.000 0.274 126 Q C -2.180 173.830 176.000 0.016 0.000 1.011 126 Q CA -0.569 55.240 55.803 0.011 0.000 0.867 126 Q CB 1.865 30.609 28.738 0.010 0.000 1.409 126 Q HN -0.112 nan 8.270 nan 0.000 0.395 127 V N 1.692 121.617 119.914 0.019 0.000 2.841 127 V HA 0.616 4.736 4.120 -0.000 0.000 0.310 127 V C -0.796 175.316 176.094 0.030 0.000 1.090 127 V CA -0.665 61.651 62.300 0.028 0.000 0.930 127 V CB 2.240 34.079 31.823 0.027 0.000 1.014 127 V HN 0.878 nan 8.190 nan 0.000 0.425 128 T N 3.534 118.113 114.554 0.042 0.000 2.912 128 T HA 0.645 4.995 4.350 -0.000 0.000 0.326 128 T C 0.096 174.834 174.700 0.064 0.000 1.080 128 T CA -0.170 61.955 62.100 0.042 0.000 1.000 128 T CB 1.229 70.118 68.868 0.035 0.000 1.008 128 T HN 1.004 nan 8.240 nan 0.000 0.473 129 A N 2.716 125.570 122.820 0.057 0.000 2.354 129 A HA 0.685 5.005 4.320 -0.000 0.000 0.269 129 A C 0.639 178.269 177.584 0.077 0.000 1.109 129 A CA -0.511 51.574 52.037 0.079 0.000 0.800 129 A CB 0.415 19.446 19.000 0.050 0.000 1.045 129 A HN 0.675 nan 8.150 nan 0.000 0.489 130 T N 2.083 116.705 114.554 0.113 0.000 2.864 130 T HA 0.468 4.818 4.350 -0.000 0.000 0.299 130 T C -0.200 174.551 174.700 0.085 0.000 1.011 130 T CA -0.702 61.444 62.100 0.077 0.000 0.975 130 T CB -0.037 68.861 68.868 0.049 0.000 0.962 130 T HN 0.671 nan 8.240 nan 0.000 0.448 131 K N 2.526 122.958 120.400 0.054 0.000 2.234 131 K HA 0.497 4.817 4.320 -0.000 0.000 0.251 131 K C 1.461 178.091 176.600 0.050 0.000 1.011 131 K CA 0.130 56.447 56.287 0.049 0.000 0.889 131 K CB 0.282 32.796 32.500 0.023 0.000 1.011 131 K HN 0.654 nan 8.250 nan 0.000 0.505 132 A N 1.287 124.137 122.820 0.049 0.000 2.238 132 A HA -0.046 4.274 4.320 -0.000 0.000 0.208 132 A C 0.179 177.778 177.584 0.025 0.000 1.177 132 A CA 1.033 53.096 52.037 0.044 0.000 0.804 132 A CB -0.670 18.362 19.000 0.053 0.000 0.823 132 A HN 0.817 nan 8.150 nan 0.000 0.482 133 D N -3.283 117.129 120.400 0.020 0.000 2.894 133 D HA 0.403 5.043 4.640 -0.000 0.000 0.273 133 D C 0.960 177.265 176.300 0.009 0.000 1.328 133 D CA 0.245 54.252 54.000 0.012 0.000 0.845 133 D CB -0.157 40.649 40.800 0.010 0.000 1.072 133 D HN 0.261 nan 8.370 nan 0.000 0.484 134 G N -0.427 108.379 108.800 0.009 0.000 2.228 134 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.270 134 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.270 134 G C 0.835 175.738 174.900 0.006 0.000 0.976 134 G CA 0.052 45.155 45.100 0.005 0.000 0.636 134 G HN 0.845 nan 8.290 nan 0.000 0.542 135 G N -1.298 107.507 108.800 0.008 0.000 2.699 135 G HA2 0.522 4.482 3.960 -0.000 0.000 0.246 135 G HA3 0.522 4.482 3.960 -0.000 0.000 0.246 135 G C -0.112 174.795 174.900 0.011 0.000 1.219 135 G CA 1.052 46.156 45.100 0.007 0.000 0.866 135 G HN 1.014 nan 8.290 nan 0.000 0.572 136 T N -0.565 113.994 114.554 0.009 0.000 3.105 136 T HA 0.455 4.804 4.350 -0.000 0.000 0.321 136 T C -1.345 173.360 174.700 0.008 0.000 1.135 136 T CA -0.474 61.633 62.100 0.012 0.000 1.053 136 T CB 1.747 70.622 68.868 0.011 0.000 1.133 136 T HN 0.652 nan 8.240 nan 0.000 0.463 137 Q N 3.550 123.357 119.800 0.011 0.000 2.310 137 Q HA 0.657 4.997 4.340 -0.000 0.000 0.270 137 Q C -1.706 174.300 176.000 0.009 0.000 1.025 137 Q CA -0.546 55.260 55.803 0.005 0.000 0.772 137 Q CB 1.577 30.313 28.738 -0.004 0.000 1.253 137 Q HN 0.492 nan 8.270 nan 0.000 0.450 138 V N 5.830 125.748 119.914 0.007 0.000 2.350 138 V HA 0.470 4.590 4.120 -0.000 0.000 0.276 138 V C -0.384 175.713 176.094 0.006 0.000 1.028 138 V CA -0.621 61.684 62.300 0.009 0.000 0.860 138 V CB 1.073 32.901 31.823 0.008 0.000 0.990 138 V HN 0.721 nan 8.190 nan 0.000 0.453 139 I N 4.216 124.790 120.570 0.007 0.000 2.312 139 I HA 0.328 4.498 4.170 -0.000 0.000 0.290 139 I C -0.072 176.049 176.117 0.005 0.000 1.008 139 I CA -0.052 61.251 61.300 0.004 0.000 1.226 139 I CB 1.151 39.152 38.000 0.002 0.000 1.371 139 I HN 0.572 nan 8.210 nan 0.000 0.468 140 D N 4.051 124.453 120.400 0.004 0.000 2.295 140 D HA 0.433 5.073 4.640 -0.000 0.000 0.248 140 D C -0.013 176.289 176.300 0.003 0.000 1.154 140 D CA 0.014 54.017 54.000 0.005 0.000 0.857 140 D CB 1.050 41.854 40.800 0.006 0.000 1.117 140 D HN 0.408 nan 8.370 nan 0.000 0.468 141 T N 1.001 115.556 114.554 0.002 0.000 2.912 141 T HA 0.219 4.569 4.350 -0.000 0.000 0.299 141 T C 0.643 175.342 174.700 -0.002 0.000 1.052 141 T CA -0.718 61.380 62.100 -0.003 0.000 0.996 141 T CB 1.581 70.444 68.868 -0.009 0.000 1.070 141 T HN 0.278 nan 8.240 nan 0.000 0.465 142 K N 2.086 122.482 120.400 -0.007 0.000 2.057 142 K HA 0.126 4.446 4.320 -0.000 0.000 0.206 142 K C 0.526 177.125 176.600 -0.001 0.000 1.050 142 K CA 1.013 57.298 56.287 -0.003 0.000 0.935 142 K CB 0.178 32.676 32.500 -0.004 0.000 0.715 142 K HN 0.483 nan 8.250 nan 0.000 0.439 143 N N -0.139 118.551 118.700 -0.017 0.000 2.321 143 N HA 0.284 5.024 4.740 -0.000 0.000 0.290 143 N C -1.283 174.244 175.510 0.028 0.000 1.212 143 N CA -0.623 52.449 53.050 0.037 0.000 0.767 143 N CB 2.209 40.725 38.487 0.049 0.000 1.494 143 N HN 0.001 nan 8.380 nan 0.000 0.479 144 I N -0.934 119.681 120.570 0.074 0.000 2.689 144 I HA 0.615 4.785 4.170 -0.000 0.000 0.299 144 I C -1.791 174.390 176.117 0.106 0.000 1.059 144 I CA -0.822 60.510 61.300 0.054 0.000 1.055 144 I CB 1.978 39.999 38.000 0.035 0.000 1.243 144 I HN 0.314 nan 8.210 nan 0.000 0.425 145 L N 7.645 128.909 121.223 0.069 0.000 2.372 145 L HA 0.610 4.950 4.340 -0.000 0.000 0.273 145 L C -1.296 175.610 176.870 0.060 0.000 0.989 145 L CA -0.532 54.360 54.840 0.085 0.000 0.841 145 L CB 1.283 43.353 42.059 0.019 0.000 1.225 145 L HN 0.491 nan 8.230 nan 0.000 0.414 146 I N 4.837 125.452 120.570 0.075 0.000 2.416 146 I HA 0.458 4.628 4.170 -0.000 0.000 0.288 146 I C 0.782 176.928 176.117 0.048 0.000 1.051 146 I CA -0.131 61.205 61.300 0.060 0.000 1.375 146 I CB 0.758 38.799 38.000 0.068 0.000 1.407 146 I HN 0.816 nan 8.210 nan 0.000 0.516 147 A N 3.785 126.627 122.820 0.037 0.000 2.806 147 A HA 0.243 4.562 4.320 -0.000 0.000 0.266 147 A C 1.190 178.790 177.584 0.028 0.000 0.926 147 A CA -0.048 52.003 52.037 0.023 0.000 1.068 147 A CB -0.379 18.623 19.000 0.003 0.000 1.189 147 A HN 0.760 nan 8.150 nan 0.000 0.481 148 T N -3.110 111.478 114.554 0.056 0.000 3.007 148 T HA 0.355 4.705 4.350 -0.000 0.000 0.270 148 T C 1.492 176.227 174.700 0.058 0.000 1.107 148 T CA 1.368 63.512 62.100 0.072 0.000 1.118 148 T CB -0.404 68.572 68.868 0.181 0.000 0.889 148 T HN 2.078 nan 8.240 nan 0.000 0.506 149 G N 1.336 110.174 108.800 0.064 0.000 2.562 149 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.250 149 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.250 149 G C -0.020 174.939 174.900 0.097 0.000 1.269 149 G CA 0.245 45.372 45.100 0.045 0.000 0.919 149 G HN 1.571 nan 8.290 nan 0.000 0.574 150 S N -0.641 115.093 115.700 0.058 0.000 2.811 150 S HA 0.904 5.373 4.470 -0.000 0.000 0.311 150 S C -0.619 174.025 174.600 0.074 0.000 1.152 150 S CA 0.389 58.653 58.200 0.106 0.000 0.864 150 S CB 2.523 65.767 63.200 0.074 0.000 1.226 150 S HN 1.960 nan 8.310 nan 0.000 0.541 151 E N -0.980 119.294 120.200 0.123 0.000 2.416 151 E HA 0.559 4.909 4.350 -0.000 0.000 0.280 151 E C -1.508 175.158 176.600 0.110 0.000 1.055 151 E CA -1.330 55.135 56.400 0.109 0.000 0.825 151 E CB 0.905 30.735 29.700 0.217 0.000 1.312 151 E HN 0.440 nan 8.360 nan 0.000 0.452 152 V N 1.200 121.170 119.914 0.092 0.000 2.763 152 V HA 0.141 4.261 4.120 -0.000 0.000 0.306 152 V C 0.186 176.336 176.094 0.093 0.000 1.059 152 V CA 0.045 62.397 62.300 0.087 0.000 1.138 152 V CB 0.869 32.739 31.823 0.079 0.000 0.940 152 V HN 0.742 nan 8.190 nan 0.000 0.489 153 T N 7.141 121.747 114.554 0.086 0.000 2.749 153 T HA 0.336 4.686 4.350 -0.000 0.000 0.295 153 T C -2.129 172.623 174.700 0.088 0.000 0.936 153 T CA -0.635 61.510 62.100 0.075 0.000 1.060 153 T CB 1.071 69.975 68.868 0.059 0.000 0.904 153 T HN 0.627 nan 8.240 nan 0.000 0.500 154 P HA 0.328 nan 4.420 nan 0.000 0.278 154 P C -0.905 176.466 177.300 0.119 0.000 1.238 154 P CA -0.667 62.494 63.100 0.102 0.000 0.794 154 P CB 0.606 32.351 31.700 0.074 0.000 0.955 155 F N 3.824 123.782 119.950 0.014 0.000 2.410 155 F HA 0.419 4.946 4.527 -0.000 0.000 0.349 155 F C -2.159 173.644 175.800 0.004 0.000 1.117 155 F CA -2.638 55.366 58.000 0.007 0.000 1.104 155 F CB 0.909 39.915 39.000 0.011 0.000 1.122 155 F HN 0.150 nan 8.300 nan 0.000 0.483 156 P HA 0.358 nan 4.420 nan 0.000 0.282 156 P C 0.344 177.742 177.300 0.164 0.000 1.262 156 P CA 0.347 63.469 63.100 0.036 0.000 0.773 156 P CB 1.206 32.860 31.700 -0.077 0.000 0.879 157 G N 2.882 111.768 108.800 0.143 0.000 2.254 157 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.225 157 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.225 157 G C -0.007 174.972 174.900 0.133 0.000 1.003 157 G CA -0.351 44.832 45.100 0.138 0.000 0.622 157 G HN 0.516 nan 8.290 nan 0.000 0.507 158 I N 2.903 123.584 120.570 0.186 0.000 2.330 158 I HA 0.390 4.560 4.170 -0.000 0.000 0.289 158 I C -0.115 176.047 176.117 0.075 0.000 1.001 158 I CA -0.389 60.957 61.300 0.077 0.000 1.193 158 I CB 1.346 39.324 38.000 -0.036 0.000 1.345 158 I HN 0.088 nan 8.210 nan 0.000 0.461 159 T N 5.861 120.439 114.554 0.040 0.000 2.744 159 T HA 0.512 4.862 4.350 -0.000 0.000 0.291 159 T C 0.257 174.970 174.700 0.022 0.000 0.957 159 T CA -0.600 61.523 62.100 0.038 0.000 1.002 159 T CB 0.994 69.879 68.868 0.029 0.000 0.919 159 T HN 0.510 nan 8.240 nan 0.000 0.468 160 I N 0.888 121.476 120.570 0.030 0.000 2.533 160 I HA 0.343 4.513 4.170 -0.000 0.000 0.284 160 I C 0.216 176.340 176.117 0.013 0.000 1.109 160 I CA -0.440 60.871 61.300 0.018 0.000 1.412 160 I CB 0.343 38.361 38.000 0.031 0.000 1.396 160 I HN 0.565 nan 8.210 nan 0.000 0.543 161 D N 2.284 122.684 120.400 -0.001 0.000 2.469 161 D HA 0.067 4.707 4.640 -0.000 0.000 0.213 161 D C 0.660 176.956 176.300 -0.006 0.000 1.135 161 D CA -0.203 53.796 54.000 -0.001 0.000 0.834 161 D CB 0.160 40.956 40.800 -0.007 0.000 1.009 161 D HN 0.640 nan 8.370 nan 0.000 0.507 162 E N -0.695 119.500 120.200 -0.009 0.000 3.286 162 E HA -0.255 4.095 4.350 -0.000 0.000 0.292 162 E C 0.117 176.702 176.600 -0.024 0.000 0.928 162 E CA 1.227 57.620 56.400 -0.011 0.000 0.982 162 E CB -1.554 28.147 29.700 0.001 0.000 1.500 162 E HN 0.588 nan 8.360 nan 0.000 0.441 163 D N -2.689 117.692 120.400 -0.032 0.000 2.844 163 D HA 0.180 4.820 4.640 -0.000 0.000 0.271 163 D C 1.502 177.763 176.300 -0.066 0.000 1.386 163 D CA 1.325 55.299 54.000 -0.043 0.000 1.053 163 D CB 0.140 40.919 40.800 -0.035 0.000 1.107 163 D HN 0.090 nan 8.370 nan 0.000 0.395 164 T N -1.310 113.206 114.554 -0.064 0.000 2.969 164 T HA 0.325 4.674 4.350 -0.000 0.000 0.250 164 T C 0.240 174.892 174.700 -0.080 0.000 1.021 164 T CA -0.253 61.799 62.100 -0.080 0.000 1.003 164 T CB 0.168 68.995 68.868 -0.068 0.000 1.040 164 T HN 0.050 nan 8.240 nan 0.000 0.492 165 I N 3.566 124.099 120.570 -0.061 0.000 2.354 165 I HA 0.467 4.637 4.170 -0.000 0.000 0.286 165 I C -0.807 175.284 176.117 -0.044 0.000 1.007 165 I CA -1.052 60.214 61.300 -0.058 0.000 1.167 165 I CB 1.787 39.759 38.000 -0.047 0.000 1.320 165 I HN 0.064 nan 8.210 nan 0.000 0.458 166 V N 2.781 122.667 119.914 -0.046 0.000 2.769 166 V HA 0.715 4.835 4.120 -0.000 0.000 0.312 166 V C 0.160 176.253 176.094 -0.001 0.000 1.061 166 V CA -0.600 61.682 62.300 -0.028 0.000 0.931 166 V CB 1.487 33.279 31.823 -0.052 0.000 1.010 166 V HN 0.719 nan 8.190 nan 0.000 0.433 167 S N 1.926 117.638 115.700 0.019 0.000 2.671 167 S HA 0.305 4.775 4.470 -0.000 0.000 0.272 167 S C 1.439 176.069 174.600 0.051 0.000 1.174 167 S CA 0.148 58.373 58.200 0.042 0.000 1.004 167 S CB 1.051 64.280 63.200 0.049 0.000 1.077 167 S HN 1.794 nan 8.310 nan 0.000 0.553 168 S N -0.219 115.522 115.700 0.067 0.000 2.440 168 S HA -0.165 4.305 4.470 -0.000 0.000 0.240 168 S C 1.847 176.493 174.600 0.076 0.000 1.014 168 S CA 1.588 59.838 58.200 0.083 0.000 0.980 168 S CB -1.553 61.697 63.200 0.084 0.000 0.775 168 S HN 1.038 nan 8.310 nan 0.000 0.499 169 T N -0.402 114.186 114.554 0.057 0.000 2.894 169 T HA 0.187 4.536 4.350 -0.000 0.000 0.258 169 T C 2.023 176.751 174.700 0.047 0.000 1.043 169 T CA 0.977 63.106 62.100 0.049 0.000 1.141 169 T CB -1.006 67.882 68.868 0.033 0.000 0.873 169 T HN 0.406 nan 8.240 nan 0.000 0.449 170 G N 0.918 109.737 108.800 0.032 0.000 2.422 170 G HA2 0.119 4.079 3.960 -0.000 0.000 0.218 170 G HA3 0.119 4.079 3.960 -0.000 0.000 0.218 170 G C 1.883 176.795 174.900 0.020 0.000 1.140 170 G CA 0.704 45.812 45.100 0.012 0.000 0.775 170 G HN 0.750 nan 8.290 nan 0.000 0.545 171 A N 0.002 122.849 122.820 0.046 0.000 2.067 171 A HA 0.196 4.516 4.320 -0.000 0.000 0.219 171 A C 2.010 179.767 177.584 0.287 0.000 1.158 171 A CA 0.818 52.907 52.037 0.087 0.000 0.661 171 A CB -0.152 18.918 19.000 0.117 0.000 0.801 171 A HN 0.300 nan 8.150 nan 0.000 0.452 172 L N -0.455 120.893 121.223 0.208 0.000 2.591 172 L HA 0.193 4.533 4.340 -0.000 0.000 0.228 172 L C 0.477 177.457 176.870 0.184 0.000 1.133 172 L CA 0.996 55.957 54.840 0.202 0.000 0.880 172 L CB -0.102 42.023 42.059 0.109 0.000 1.033 172 L HN 0.239 nan 8.230 nan 0.000 0.450 173 S N -0.728 115.069 115.700 0.161 0.000 2.825 173 S HA 0.350 4.820 4.470 -0.000 0.000 0.242 173 S C 0.104 174.747 174.600 0.071 0.000 0.980 173 S CA -0.560 57.708 58.200 0.114 0.000 1.107 173 S CB 0.248 63.482 63.200 0.057 0.000 1.172 173 S HN 0.006 nan 8.310 nan 0.000 0.483 174 L N 1.281 122.550 121.223 0.075 0.000 2.467 174 L HA 0.274 4.614 4.340 -0.000 0.000 0.270 174 L C 1.054 177.912 176.870 -0.020 0.000 1.205 174 L CA -0.122 54.646 54.840 -0.119 0.000 0.828 174 L CB 0.440 42.172 42.059 -0.545 0.000 1.101 174 L HN 0.137 nan 8.230 nan 0.000 0.479 175 K N 0.894 121.257 120.400 -0.060 0.000 2.374 175 K HA 0.105 4.425 4.320 -0.000 0.000 0.196 175 K C -0.669 175.914 176.600 -0.029 0.000 1.023 175 K CA 0.148 56.423 56.287 -0.021 0.000 1.103 175 K CB 0.239 32.723 32.500 -0.025 0.000 0.848 175 K HN 0.467 nan 8.250 nan 0.000 0.528 176 K N -1.587 118.767 120.400 -0.077 0.000 2.546 176 K HA 0.342 4.662 4.320 -0.000 0.000 0.264 176 K C -0.956 175.566 176.600 -0.129 0.000 0.937 176 K CA -0.954 55.295 56.287 -0.064 0.000 0.833 176 K CB 1.687 34.145 32.500 -0.069 0.000 1.378 176 K HN -0.299 nan 8.250 nan 0.000 0.432 177 V N 3.553 123.456 119.914 -0.018 0.000 2.493 177 V HA 0.114 4.234 4.120 -0.000 0.000 0.292 177 V C -1.701 174.323 176.094 -0.116 0.000 1.016 177 V CA -0.689 61.617 62.300 0.010 0.000 1.097 177 V CB -0.099 31.786 31.823 0.103 0.000 0.947 177 V HN 0.768 nan 8.190 nan 0.000 0.479 178 P HA 0.164 nan 4.420 nan 0.000 0.274 178 P C 0.663 177.896 177.300 -0.111 0.000 1.231 178 P CA -0.328 62.656 63.100 -0.193 0.000 0.790 178 P CB 1.161 32.695 31.700 -0.276 0.000 0.951 179 E N 1.114 121.262 120.200 -0.087 0.000 2.106 179 E HA -0.113 4.237 4.350 -0.000 0.000 0.192 179 E C 0.216 176.780 176.600 -0.059 0.000 0.984 179 E CA 1.213 57.579 56.400 -0.057 0.000 0.806 179 E CB 0.307 29.978 29.700 -0.048 0.000 0.750 179 E HN 0.367 nan 8.360 nan 0.000 0.458 180 K N -0.173 120.179 120.400 -0.080 0.000 2.523 180 K HA 0.354 4.674 4.320 -0.000 0.000 0.257 180 K C -1.365 175.170 176.600 -0.108 0.000 0.932 180 K CA -0.505 55.733 56.287 -0.082 0.000 0.812 180 K CB 1.857 34.317 32.500 -0.066 0.000 1.326 180 K HN -0.033 nan 8.250 nan 0.000 0.433 181 M N 3.755 123.288 119.600 -0.113 0.000 2.322 181 M HA 0.364 4.844 4.480 -0.000 0.000 0.286 181 M C -1.948 174.288 176.300 -0.107 0.000 1.111 181 M CA -0.748 54.476 55.300 -0.127 0.000 0.941 181 M CB 1.930 34.433 32.600 -0.161 0.000 1.671 181 M HN 0.313 nan 8.290 nan 0.000 0.470 182 V N 4.651 124.512 119.914 -0.089 0.000 2.532 182 V HA 0.699 4.819 4.120 -0.000 0.000 0.295 182 V C -0.797 175.271 176.094 -0.043 0.000 1.041 182 V CA -0.565 61.698 62.300 -0.062 0.000 0.926 182 V CB 1.971 33.758 31.823 -0.060 0.000 0.992 182 V HN 0.720 nan 8.190 nan 0.000 0.457 183 V N 5.902 125.816 119.914 -0.000 0.000 2.525 183 V HA 0.468 4.587 4.120 -0.000 0.000 0.299 183 V C -0.327 175.801 176.094 0.058 0.000 1.034 183 V CA -0.398 61.927 62.300 0.041 0.000 0.863 183 V CB 1.916 33.807 31.823 0.114 0.000 0.999 183 V HN 0.654 nan 8.190 nan 0.000 0.423 184 I N 4.671 125.262 120.570 0.035 0.000 2.312 184 I HA 0.649 4.819 4.170 -0.000 0.000 0.291 184 I C 0.774 176.957 176.117 0.110 0.000 1.031 184 I CA 0.093 61.419 61.300 0.044 0.000 1.293 184 I CB 1.193 39.165 38.000 -0.047 0.000 1.403 184 I HN 0.878 nan 8.210 nan 0.000 0.484 185 G N 4.702 113.586 108.800 0.141 0.000 3.421 185 G HA2 0.065 4.024 3.960 -0.000 0.000 0.686 185 G HA3 0.065 4.024 3.960 -0.000 0.000 0.686 185 G C -0.343 174.652 174.900 0.159 0.000 1.056 185 G CA -0.338 44.851 45.100 0.149 0.000 0.891 185 G HN 0.956 nan 8.290 nan 0.000 0.514 186 A N 2.220 125.125 122.820 0.141 0.000 3.264 186 A HA 0.793 5.113 4.320 -0.000 0.000 0.299 186 A C 1.407 179.048 177.584 0.095 0.000 1.272 186 A CA 1.038 53.167 52.037 0.155 0.000 1.030 186 A CB -0.223 18.877 19.000 0.168 0.000 1.102 186 A HN 2.124 nan 8.150 nan 0.000 0.615 187 G N -0.772 108.099 108.800 0.118 0.000 2.486 187 G HA2 0.299 4.259 3.960 -0.000 0.000 0.272 187 G HA3 0.299 4.259 3.960 -0.000 0.000 0.272 187 G C 1.100 176.104 174.900 0.174 0.000 1.426 187 G CA 0.343 45.520 45.100 0.128 0.000 1.058 187 G HN 0.217 nan 8.290 nan 0.000 0.531 188 V N -0.190 119.836 119.914 0.186 0.000 2.283 188 V HA -0.097 4.023 4.120 -0.000 0.000 0.243 188 V C 2.894 179.107 176.094 0.199 0.000 1.039 188 V CA 1.525 63.949 62.300 0.206 0.000 1.016 188 V CB -0.612 31.320 31.823 0.181 0.000 0.650 188 V HN 0.556 nan 8.190 nan 0.000 0.449 189 I N 0.260 120.932 120.570 0.170 0.000 2.163 189 I HA -0.211 3.959 4.170 -0.000 0.000 0.243 189 I C 2.605 178.833 176.117 0.184 0.000 1.085 189 I CA 1.775 63.172 61.300 0.161 0.000 1.347 189 I CB -1.048 37.032 38.000 0.133 0.000 1.044 189 I HN 0.428 nan 8.210 nan 0.000 0.408 190 G N 0.792 109.704 108.800 0.187 0.000 2.513 190 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.219 190 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.219 190 G C 1.668 176.742 174.900 0.291 0.000 1.160 190 G CA 1.631 46.861 45.100 0.216 0.000 0.767 190 G HN 0.435 nan 8.290 nan 0.000 0.571 191 V N -2.003 118.091 119.914 0.299 0.000 3.306 191 V HA 0.204 4.324 4.120 -0.000 0.000 0.264 191 V C 1.969 178.297 176.094 0.391 0.000 1.149 191 V CA 1.715 64.245 62.300 0.383 0.000 1.143 191 V CB -0.071 31.911 31.823 0.266 0.000 0.767 191 V HN 0.438 nan 8.190 nan 0.000 0.476 192 E N 0.937 121.313 120.200 0.293 0.000 2.011 192 E HA -0.022 4.327 4.350 -0.000 0.000 0.191 192 E C 2.166 178.882 176.600 0.193 0.000 0.979 192 E CA 1.441 57.983 56.400 0.238 0.000 0.822 192 E CB -0.309 29.509 29.700 0.197 0.000 0.782 192 E HN 0.515 nan 8.360 nan 0.000 0.459 193 L N 0.890 122.223 121.223 0.183 0.000 1.997 193 L HA -0.289 4.051 4.340 -0.000 0.000 0.227 193 L C 2.627 179.628 176.870 0.217 0.000 1.087 193 L CA 1.685 56.639 54.840 0.190 0.000 0.797 193 L CB -1.295 40.900 42.059 0.226 0.000 0.902 193 L HN 0.363 nan 8.230 nan 0.000 0.441 194 G N -1.147 107.796 108.800 0.239 0.000 2.624 194 G HA2 -0.420 3.540 3.960 -0.000 0.000 0.221 194 G HA3 -0.420 3.540 3.960 -0.000 0.000 0.221 194 G C 1.782 176.642 174.900 -0.067 0.000 1.169 194 G CA 1.523 46.691 45.100 0.113 0.000 0.771 194 G HN 0.418 nan 8.290 nan 0.000 0.598 195 S N -0.788 114.990 115.700 0.129 0.000 2.383 195 S HA -0.042 4.428 4.470 -0.000 0.000 0.227 195 S C 2.533 177.097 174.600 -0.060 0.000 1.026 195 S CA 1.317 59.566 58.200 0.083 0.000 0.981 195 S CB -0.254 63.102 63.200 0.259 0.000 0.818 195 S HN 0.173 nan 8.310 nan 0.000 0.472 196 V N 0.315 120.153 119.914 -0.127 0.000 2.255 196 V HA -0.202 3.918 4.120 -0.000 0.000 0.247 196 V C 1.991 177.811 176.094 -0.458 0.000 1.051 196 V CA 2.086 64.178 62.300 -0.347 0.000 1.018 196 V CB -0.880 30.610 31.823 -0.555 0.000 0.641 196 V HN 0.672 nan 8.190 nan 0.000 0.445 197 W N -0.710 120.535 121.300 -0.090 0.000 2.388 197 W HA -0.124 4.536 4.660 -0.000 0.000 0.294 197 W C 2.672 179.106 176.519 -0.142 0.000 1.212 197 W CA 1.054 58.329 57.345 -0.116 0.000 1.271 197 W CB -0.396 28.991 29.460 -0.123 0.000 1.126 197 W HN 0.151 nan 8.180 nan 0.000 0.535 198 Q N 1.218 120.995 119.800 -0.039 0.000 2.014 198 Q HA -0.241 4.099 4.340 -0.000 0.000 0.207 198 Q C 2.090 178.048 176.000 -0.070 0.000 0.993 198 Q CA 1.987 57.711 55.803 -0.131 0.000 0.850 198 Q CB -0.454 28.117 28.738 -0.278 0.000 0.916 198 Q HN 0.334 nan 8.270 nan 0.000 0.417 199 R N -0.212 120.230 120.500 -0.097 0.000 2.091 199 R HA -0.086 4.254 4.340 -0.000 0.000 0.238 199 R C 2.436 178.791 176.300 0.091 0.000 1.136 199 R CA 1.268 57.330 56.100 -0.062 0.000 0.959 199 R CB -0.301 29.953 30.300 -0.077 0.000 0.856 199 R HN 0.272 nan 8.270 nan 0.000 0.437 200 L N -1.148 120.060 121.223 -0.025 0.000 2.478 200 L HA 0.086 4.426 4.340 -0.000 0.000 0.223 200 L C 1.377 178.241 176.870 -0.011 0.000 1.140 200 L CA 0.801 55.569 54.840 -0.118 0.000 0.842 200 L CB 0.206 42.123 42.059 -0.236 0.000 0.953 200 L HN 0.581 nan 8.230 nan 0.000 0.452 201 G N -1.165 107.672 108.800 0.061 0.000 2.738 201 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.195 201 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.195 201 G C 0.386 175.313 174.900 0.045 0.000 1.001 201 G CA -0.193 44.945 45.100 0.064 0.000 0.759 201 G HN 0.340 nan 8.290 nan 0.000 0.494 202 A N 0.574 123.430 122.820 0.060 0.000 2.466 202 A HA 0.462 4.781 4.320 -0.000 0.000 0.238 202 A C 0.186 177.747 177.584 -0.038 0.000 1.074 202 A CA 0.711 52.758 52.037 0.017 0.000 0.774 202 A CB 0.259 19.290 19.000 0.052 0.000 1.015 202 A HN 0.324 nan 8.150 nan 0.000 0.498 203 D N 1.957 122.321 120.400 -0.059 0.000 2.411 203 D HA 0.375 5.015 4.640 -0.000 0.000 0.225 203 D C -0.722 175.498 176.300 -0.135 0.000 1.156 203 D CA -0.044 53.906 54.000 -0.084 0.000 0.874 203 D CB 0.568 41.334 40.800 -0.057 0.000 1.034 203 D HN 0.154 nan 8.370 nan 0.000 0.502 204 V N 3.190 122.967 119.914 -0.229 0.000 2.539 204 V HA 0.471 4.591 4.120 -0.000 0.000 0.292 204 V C 0.455 176.378 176.094 -0.285 0.000 1.045 204 V CA -0.448 61.653 62.300 -0.332 0.000 0.945 204 V CB 1.881 33.317 31.823 -0.645 0.000 0.993 204 V HN 0.524 nan 8.190 nan 0.000 0.464 205 T N 3.157 117.611 114.554 -0.168 0.000 3.011 205 T HA 0.651 5.001 4.350 -0.000 0.000 0.303 205 T C -0.430 174.273 174.700 0.005 0.000 0.997 205 T CA -0.288 61.770 62.100 -0.071 0.000 1.007 205 T CB 1.538 70.378 68.868 -0.046 0.000 1.017 205 T HN 0.979 nan 8.240 nan 0.000 0.443 206 A N 2.949 125.802 122.820 0.056 0.000 2.288 206 A HA 0.787 5.106 4.320 -0.000 0.000 0.320 206 A C -0.382 177.299 177.584 0.162 0.000 1.217 206 A CA -0.600 51.528 52.037 0.152 0.000 0.840 206 A CB 0.768 19.927 19.000 0.264 0.000 1.179 206 A HN 0.674 nan 8.150 nan 0.000 0.504 207 V N 2.730 122.726 119.914 0.136 0.000 2.370 207 V HA 0.501 4.621 4.120 -0.000 0.000 0.283 207 V C -0.297 175.885 176.094 0.146 0.000 1.023 207 V CA -0.296 62.079 62.300 0.125 0.000 0.857 207 V CB 1.293 33.166 31.823 0.083 0.000 0.985 207 V HN 0.992 nan 8.190 nan 0.000 0.443 208 E N 2.946 123.229 120.200 0.140 0.000 2.266 208 E HA 0.381 4.731 4.350 -0.000 0.000 0.268 208 E C -0.083 176.599 176.600 0.136 0.000 0.879 208 E CA -0.667 55.812 56.400 0.132 0.000 0.762 208 E CB 1.608 31.345 29.700 0.062 0.000 1.199 208 E HN 0.374 nan 8.360 nan 0.000 0.422 209 F N 3.581 123.558 119.950 0.046 0.000 2.163 209 F HA 0.171 4.698 4.527 -0.000 0.000 0.297 209 F C 0.351 176.170 175.800 0.031 0.000 1.094 209 F CA 0.937 58.965 58.000 0.047 0.000 1.290 209 F CB 0.171 39.206 39.000 0.058 0.000 1.017 209 F HN 0.457 nan 8.300 nan 0.000 0.483 210 L N -1.293 119.937 121.223 0.012 0.000 2.744 210 L HA 0.378 4.718 4.340 -0.000 0.000 0.218 210 L C 1.822 178.661 176.870 -0.051 0.000 1.190 210 L CA 0.050 54.865 54.840 -0.041 0.000 0.869 210 L CB -0.538 41.583 42.059 0.104 0.000 1.652 210 L HN -0.062 nan 8.230 nan 0.000 0.519 211 G N -1.912 106.926 108.800 0.063 0.000 3.189 211 G HA2 0.166 4.126 3.960 -0.000 0.000 0.225 211 G HA3 0.166 4.126 3.960 -0.000 0.000 0.225 211 G C 0.062 175.022 174.900 0.100 0.000 1.159 211 G CA 0.103 45.233 45.100 0.050 0.000 0.763 211 G HN 0.700 nan 8.290 nan 0.000 0.549 212 H N -1.770 117.250 119.070 -0.084 0.000 3.017 212 H HA 0.514 5.069 4.556 -0.000 0.000 0.346 212 H C -0.827 174.426 175.328 -0.124 0.000 1.286 212 H CA -0.761 55.214 56.048 -0.122 0.000 1.120 212 H CB 1.051 30.750 29.762 -0.104 0.000 1.860 212 H HN 0.136 nan 8.280 nan 0.000 0.542 213 V N -0.855 118.889 119.914 -0.283 0.000 3.036 213 V HA 0.808 4.928 4.120 -0.000 0.000 0.308 213 V C 0.840 176.916 176.094 -0.030 0.000 1.070 213 V CA 0.450 62.580 62.300 -0.282 0.000 1.056 213 V CB 0.476 32.000 31.823 -0.498 0.000 1.084 213 V HN 1.654 nan 8.190 nan 0.000 0.471 214 G N 1.044 109.890 108.800 0.077 0.000 2.746 214 G HA2 0.310 4.270 3.960 -0.000 0.000 0.685 214 G HA3 0.310 4.270 3.960 -0.000 0.000 0.685 214 G C 0.173 175.182 174.900 0.181 0.000 1.350 214 G CA -0.103 45.125 45.100 0.213 0.000 0.837 214 G HN 1.825 nan 8.290 nan 0.000 0.564 215 G N -1.026 107.937 108.800 0.272 0.000 2.529 215 G HA2 0.661 4.621 3.960 -0.000 0.000 0.234 215 G HA3 0.661 4.621 3.960 -0.000 0.000 0.234 215 G C 1.039 176.109 174.900 0.284 0.000 1.527 215 G CA 1.354 46.607 45.100 0.256 0.000 1.062 215 G HN 2.265 nan 8.290 nan 0.000 0.558 216 V N -2.606 117.455 119.914 0.245 0.000 2.785 216 V HA 0.639 4.759 4.120 -0.000 0.000 0.300 216 V C 1.392 177.587 176.094 0.169 0.000 1.062 216 V CA 0.659 63.073 62.300 0.189 0.000 1.029 216 V CB 0.567 32.480 31.823 0.150 0.000 1.024 216 V HN 2.309 nan 8.190 nan 0.000 0.477 217 G N 3.095 111.925 108.800 0.050 0.000 2.245 217 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.264 217 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.264 217 G C 0.331 175.048 174.900 -0.306 0.000 0.985 217 G CA 0.299 45.409 45.100 0.017 0.000 0.625 217 G HN 1.018 nan 8.290 nan 0.000 0.536 218 I N 2.125 122.438 120.570 -0.428 0.000 2.815 218 I HA 0.129 4.299 4.170 -0.000 0.000 0.291 218 I C 0.681 176.392 176.117 -0.677 0.000 1.209 218 I CA 0.440 61.176 61.300 -0.939 0.000 1.431 218 I CB 0.550 38.260 38.000 -0.483 0.000 1.351 218 I HN 0.410 nan 8.210 nan 0.000 0.585 219 D N 5.326 125.267 120.400 -0.766 0.000 2.350 219 D HA 0.023 4.662 4.640 -0.000 0.000 0.249 219 D C 0.943 176.993 176.300 -0.416 0.000 1.119 219 D CA -0.377 53.271 54.000 -0.586 0.000 0.886 219 D CB 1.023 41.321 40.800 -0.835 0.000 1.195 219 D HN 0.425 nan 8.370 nan 0.000 0.437 220 M N 2.774 122.174 119.600 -0.333 0.000 2.086 220 M HA -0.091 4.389 4.480 -0.000 0.000 0.261 220 M C 1.744 177.940 176.300 -0.173 0.000 1.067 220 M CA 1.684 56.837 55.300 -0.245 0.000 1.116 220 M CB -0.648 31.825 32.600 -0.210 0.000 1.348 220 M HN 0.736 nan 8.290 nan 0.000 0.407 221 E N -0.006 120.090 120.200 -0.173 0.000 2.058 221 E HA -0.240 4.110 4.350 -0.000 0.000 0.194 221 E C 1.888 178.429 176.600 -0.099 0.000 0.997 221 E CA 2.116 58.444 56.400 -0.119 0.000 0.801 221 E CB -0.432 29.201 29.700 -0.111 0.000 0.746 221 E HN 0.696 nan 8.360 nan 0.000 0.450 222 I N -1.656 118.831 120.570 -0.138 0.000 2.500 222 I HA -0.079 4.090 4.170 -0.000 0.000 0.252 222 I C 2.492 178.600 176.117 -0.014 0.000 1.142 222 I CA 1.103 62.359 61.300 -0.074 0.000 1.451 222 I CB -0.390 37.558 38.000 -0.087 0.000 1.093 222 I HN 0.009 nan 8.210 nan 0.000 0.430 223 S N 1.645 117.309 115.700 -0.060 0.000 2.359 223 S HA -0.261 4.209 4.470 -0.000 0.000 0.222 223 S C 2.080 176.697 174.600 0.029 0.000 1.038 223 S CA 2.115 60.338 58.200 0.038 0.000 1.051 223 S CB -0.266 62.936 63.200 0.004 0.000 0.944 223 S HN 0.423 nan 8.310 nan 0.000 0.433 224 K N 1.419 121.801 120.400 -0.030 0.000 2.077 224 K HA -0.095 4.225 4.320 -0.000 0.000 0.213 224 K C 1.877 178.465 176.600 -0.020 0.000 1.051 224 K CA 2.187 58.447 56.287 -0.044 0.000 0.929 224 K CB -0.673 31.799 32.500 -0.047 0.000 0.715 224 K HN 0.389 nan 8.250 nan 0.000 0.451 225 N N -0.859 117.853 118.700 0.019 0.000 2.142 225 N HA -0.086 4.654 4.740 -0.000 0.000 0.186 225 N C 1.371 176.948 175.510 0.112 0.000 1.023 225 N CA 0.845 53.926 53.050 0.051 0.000 0.852 225 N CB -0.255 38.267 38.487 0.059 0.000 0.998 225 N HN 0.080 nan 8.380 nan 0.000 0.424 226 F N 2.077 121.994 119.950 -0.055 0.000 2.010 226 F HA -0.199 4.327 4.527 -0.000 0.000 0.296 226 F C 2.413 178.164 175.800 -0.082 0.000 1.146 226 F CA 1.662 59.631 58.000 -0.051 0.000 1.181 226 F CB -1.132 37.833 39.000 -0.058 0.000 0.965 226 F HN 0.109 nan 8.300 nan 0.000 0.480 227 Q N 0.156 119.774 119.800 -0.303 0.000 2.156 227 Q HA -0.323 4.017 4.340 -0.000 0.000 0.211 227 Q C 2.551 178.415 176.000 -0.228 0.000 0.995 227 Q CA 2.382 57.893 55.803 -0.486 0.000 0.877 227 Q CB -0.436 28.020 28.738 -0.471 0.000 0.920 227 Q HN 0.455 nan 8.270 nan 0.000 0.416 228 R N -0.067 120.372 120.500 -0.100 0.000 2.148 228 R HA -0.105 4.235 4.340 -0.000 0.000 0.227 228 R C 2.060 178.365 176.300 0.008 0.000 1.103 228 R CA 1.028 57.112 56.100 -0.026 0.000 0.983 228 R CB -0.103 30.195 30.300 -0.003 0.000 0.874 228 R HN 0.342 nan 8.270 nan 0.000 0.451 229 I N 0.523 121.097 120.570 0.007 0.000 2.277 229 I HA -0.253 3.917 4.170 -0.000 0.000 0.243 229 I C 2.213 178.358 176.117 0.046 0.000 1.094 229 I CA 0.843 62.174 61.300 0.053 0.000 1.393 229 I CB -0.120 37.945 38.000 0.108 0.000 1.078 229 I HN 0.147 nan 8.210 nan 0.000 0.417 230 L N 0.098 121.297 121.223 -0.040 0.000 2.012 230 L HA -0.281 4.059 4.340 -0.000 0.000 0.210 230 L C 2.659 179.627 176.870 0.162 0.000 1.073 230 L CA 1.654 56.513 54.840 0.031 0.000 0.748 230 L CB -0.657 41.318 42.059 -0.141 0.000 0.891 230 L HN 0.335 nan 8.230 nan 0.000 0.431 231 Q N -0.329 119.568 119.800 0.162 0.000 2.181 231 Q HA -0.266 4.074 4.340 -0.000 0.000 0.205 231 Q C 2.115 178.188 176.000 0.121 0.000 0.980 231 Q CA 1.354 57.261 55.803 0.174 0.000 0.862 231 Q CB -0.131 28.704 28.738 0.161 0.000 0.905 231 Q HN 0.389 nan 8.270 nan 0.000 0.429 232 K N 0.767 121.227 120.400 0.100 0.000 2.288 232 K HA -0.122 4.198 4.320 -0.000 0.000 0.201 232 K C 1.613 178.274 176.600 0.103 0.000 1.048 232 K CA 0.735 57.076 56.287 0.090 0.000 0.956 232 K CB 0.238 32.788 32.500 0.082 0.000 0.746 232 K HN 0.236 nan 8.250 nan 0.000 0.461 233 Q N -1.227 118.643 119.800 0.118 0.000 2.451 233 Q HA 0.040 4.380 4.340 -0.000 0.000 0.206 233 Q C 0.828 176.884 176.000 0.093 0.000 0.947 233 Q CA 0.679 56.551 55.803 0.114 0.000 0.937 233 Q CB 0.664 29.467 28.738 0.109 0.000 1.025 233 Q HN 0.548 nan 8.270 nan 0.000 0.511 234 G N 0.403 109.263 108.800 0.100 0.000 2.179 234 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.220 234 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.220 234 G C -0.241 174.700 174.900 0.068 0.000 0.990 234 G CA -0.476 44.665 45.100 0.070 0.000 0.646 234 G HN 0.310 nan 8.290 nan 0.000 0.517 235 F N 3.082 122.988 119.950 -0.074 0.000 2.541 235 F HA 0.580 5.107 4.527 -0.000 0.000 0.378 235 F C 0.841 176.442 175.800 -0.331 0.000 1.068 235 F CA -0.534 57.339 58.000 -0.211 0.000 1.199 235 F CB 0.442 39.327 39.000 -0.193 0.000 1.091 235 F HN 0.110 nan 8.300 nan 0.000 0.555 236 K N 5.087 125.519 120.400 0.054 0.000 2.095 236 K HA 0.605 4.925 4.320 -0.000 0.000 0.252 236 K C -1.419 174.954 176.600 -0.378 0.000 0.977 236 K CA -0.411 55.828 56.287 -0.079 0.000 0.900 236 K CB 1.200 33.684 32.500 -0.027 0.000 1.060 236 K HN 0.381 nan 8.250 nan 0.000 0.449 237 F N 0.483 120.480 119.950 0.078 0.000 2.578 237 F HA 0.359 4.886 4.527 -0.000 0.000 0.311 237 F C -0.369 175.440 175.800 0.014 0.000 1.094 237 F CA -0.786 57.226 58.000 0.019 0.000 0.923 237 F CB 2.175 41.127 39.000 -0.081 0.000 1.230 237 F HN 0.193 nan 8.300 nan 0.000 0.450 238 K N 3.938 124.464 120.400 0.212 0.000 2.624 238 K HA 0.527 4.847 4.320 -0.000 0.000 0.200 238 K C -1.128 175.535 176.600 0.104 0.000 1.036 238 K CA -0.125 56.235 56.287 0.122 0.000 1.029 238 K CB 0.596 33.145 32.500 0.082 0.000 1.317 238 K HN 0.502 nan 8.250 nan 0.000 0.555 239 L N 1.233 122.501 121.223 0.075 0.000 2.468 239 L HA 0.301 4.641 4.340 -0.000 0.000 0.254 239 L C 0.438 177.295 176.870 -0.022 0.000 1.171 239 L CA -0.642 54.208 54.840 0.016 0.000 0.809 239 L CB 0.248 42.291 42.059 -0.027 0.000 1.155 239 L HN 0.642 nan 8.230 nan 0.000 0.473 240 N N -0.953 117.699 118.700 -0.081 0.000 2.714 240 N HA -0.169 4.571 4.740 -0.000 0.000 0.252 240 N C -1.073 174.363 175.510 -0.124 0.000 1.014 240 N CA 0.781 53.733 53.050 -0.163 0.000 0.735 240 N CB -0.799 37.613 38.487 -0.125 0.000 0.924 240 N HN 0.643 nan 8.380 nan 0.000 0.540 241 T N -0.317 114.203 114.554 -0.056 0.000 2.916 241 T HA 0.484 4.834 4.350 -0.000 0.000 0.298 241 T C -0.341 174.449 174.700 0.151 0.000 1.031 241 T CA -0.962 61.159 62.100 0.035 0.000 0.993 241 T CB 1.926 70.828 68.868 0.055 0.000 1.045 241 T HN 0.279 nan 8.240 nan 0.000 0.454 242 K N 0.192 120.717 120.400 0.208 0.000 2.281 242 K HA 0.838 5.158 4.320 -0.000 0.000 0.242 242 K C -0.693 176.039 176.600 0.219 0.000 0.971 242 K CA -1.016 55.467 56.287 0.326 0.000 0.834 242 K CB 1.945 34.705 32.500 0.433 0.000 1.181 242 K HN 0.356 nan 8.250 nan 0.000 0.435 243 V N 1.802 121.864 119.914 0.247 0.000 2.370 243 V HA 0.171 4.291 4.120 -0.000 0.000 0.279 243 V C 0.802 177.020 176.094 0.206 0.000 1.029 243 V CA 0.186 62.578 62.300 0.154 0.000 0.870 243 V CB 0.917 32.746 31.823 0.010 0.000 0.984 243 V HN 1.067 nan 8.190 nan 0.000 0.451 244 T N 3.187 117.820 114.554 0.132 0.000 2.978 244 T HA 0.471 4.821 4.350 -0.000 0.000 0.262 244 T C 0.895 175.669 174.700 0.123 0.000 1.063 244 T CA 0.708 62.886 62.100 0.130 0.000 1.140 244 T CB -0.043 68.877 68.868 0.087 0.000 0.886 244 T HN 1.607 nan 8.240 nan 0.000 0.470 245 G N -0.262 108.580 108.800 0.069 0.000 2.342 245 G HA2 0.610 4.570 3.960 -0.000 0.000 0.297 245 G HA3 0.610 4.570 3.960 -0.000 0.000 0.297 245 G C -2.103 172.784 174.900 -0.022 0.000 1.313 245 G CA -0.487 44.638 45.100 0.041 0.000 0.830 245 G HN 0.798 nan 8.290 nan 0.000 0.506 246 A N -0.498 122.305 122.820 -0.029 0.000 2.488 246 A HA 0.942 5.262 4.320 -0.000 0.000 0.295 246 A C -0.321 177.246 177.584 -0.028 0.000 1.045 246 A CA 0.305 52.313 52.037 -0.048 0.000 0.703 246 A CB 1.650 20.595 19.000 -0.092 0.000 1.271 246 A HN 2.199 nan 8.150 nan 0.000 0.400 247 T N -0.376 114.163 114.554 -0.025 0.000 2.900 247 T HA 0.645 4.995 4.350 -0.000 0.000 0.295 247 T C -0.755 173.930 174.700 -0.025 0.000 1.044 247 T CA -0.782 61.306 62.100 -0.019 0.000 0.995 247 T CB 1.279 70.141 68.868 -0.010 0.000 1.072 247 T HN 0.578 nan 8.240 nan 0.000 0.473 248 K N 2.995 123.382 120.400 -0.023 0.000 2.312 248 K HA 0.308 4.628 4.320 -0.000 0.000 0.287 248 K C 0.462 177.049 176.600 -0.022 0.000 1.062 248 K CA -0.692 55.579 56.287 -0.026 0.000 0.934 248 K CB 0.974 33.459 32.500 -0.025 0.000 1.027 248 K HN 0.474 nan 8.250 nan 0.000 0.478 249 K N 0.780 121.165 120.400 -0.024 0.000 2.132 249 K HA -0.031 4.289 4.320 -0.000 0.000 0.240 249 K C 1.626 178.214 176.600 -0.019 0.000 1.036 249 K CA 0.209 56.484 56.287 -0.021 0.000 0.888 249 K CB 0.699 33.186 32.500 -0.022 0.000 1.071 249 K HN 0.699 nan 8.250 nan 0.000 0.502 250 S N 0.669 116.359 115.700 -0.016 0.000 2.359 250 S HA -0.170 4.300 4.470 -0.000 0.000 0.224 250 S C 0.993 175.583 174.600 -0.017 0.000 1.035 250 S CA 1.878 60.069 58.200 -0.015 0.000 1.018 250 S CB -0.254 62.939 63.200 -0.012 0.000 0.876 250 S HN 0.738 nan 8.310 nan 0.000 0.448 251 D N 0.187 120.575 120.400 -0.019 0.000 2.706 251 D HA 0.334 4.974 4.640 -0.000 0.000 0.236 251 D C 1.287 177.571 176.300 -0.027 0.000 1.231 251 D CA 0.324 54.311 54.000 -0.021 0.000 0.828 251 D CB -0.548 40.240 40.800 -0.021 0.000 1.015 251 D HN 0.608 nan 8.370 nan 0.000 0.484 252 G N 0.394 109.178 108.800 -0.028 0.000 2.302 252 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.263 252 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.263 252 G C 0.578 175.453 174.900 -0.041 0.000 0.995 252 G CA 0.625 45.705 45.100 -0.034 0.000 0.622 252 G HN 0.537 nan 8.290 nan 0.000 0.538 253 K N 0.272 120.649 120.400 -0.039 0.000 2.234 253 K HA 0.496 4.816 4.320 -0.000 0.000 0.251 253 K C 0.814 177.387 176.600 -0.044 0.000 1.011 253 K CA 0.241 56.502 56.287 -0.044 0.000 0.889 253 K CB 0.275 32.752 32.500 -0.038 0.000 1.011 253 K HN 0.225 nan 8.250 nan 0.000 0.505 254 I N 1.803 122.342 120.570 -0.050 0.000 2.433 254 I HA 0.188 4.358 4.170 -0.000 0.000 0.292 254 I C -0.829 175.261 176.117 -0.045 0.000 1.001 254 I CA -0.736 60.534 61.300 -0.050 0.000 1.119 254 I CB 1.794 39.757 38.000 -0.062 0.000 1.289 254 I HN 0.518 nan 8.210 nan 0.000 0.438 255 D N 4.959 125.336 120.400 -0.039 0.000 2.233 255 D HA 0.461 5.101 4.640 -0.000 0.000 0.240 255 D C -0.552 175.726 176.300 -0.037 0.000 1.074 255 D CA 0.013 53.993 54.000 -0.033 0.000 0.838 255 D CB 1.978 42.764 40.800 -0.023 0.000 1.124 255 D HN 0.295 nan 8.370 nan 0.000 0.475 256 V N 0.359 120.250 119.914 -0.038 0.000 2.495 256 V HA 0.711 4.831 4.120 -0.000 0.000 0.298 256 V C -0.192 175.890 176.094 -0.020 0.000 1.031 256 V CA -0.999 61.276 62.300 -0.042 0.000 0.871 256 V CB 1.613 33.400 31.823 -0.060 0.000 0.988 256 V HN 0.491 nan 8.190 nan 0.000 0.432 257 S N 5.717 121.411 115.700 -0.009 0.000 2.423 257 S HA 0.792 5.262 4.470 -0.000 0.000 0.317 257 S C -0.274 174.342 174.600 0.026 0.000 1.065 257 S CA -0.644 57.563 58.200 0.010 0.000 1.111 257 S CB 0.590 63.801 63.200 0.018 0.000 0.968 257 S HN 1.011 nan 8.310 nan 0.000 0.474 258 I N -0.481 120.107 120.570 0.030 0.000 3.062 258 I HA 0.835 5.005 4.170 -0.000 0.000 0.316 258 I C -0.087 176.062 176.117 0.054 0.000 1.041 258 I CA -0.910 60.420 61.300 0.050 0.000 1.069 258 I CB 0.977 39.004 38.000 0.045 0.000 1.300 258 I HN 0.694 nan 8.210 nan 0.000 0.518 259 E N 1.081 121.322 120.200 0.069 0.000 2.375 259 E HA 0.619 4.969 4.350 -0.000 0.000 0.280 259 E C -1.272 175.364 176.600 0.060 0.000 0.972 259 E CA -1.136 55.300 56.400 0.060 0.000 0.782 259 E CB 1.950 31.691 29.700 0.068 0.000 1.229 259 E HN 1.042 nan 8.360 nan 0.000 0.439 260 A N 2.028 124.870 122.820 0.037 0.000 2.586 260 A HA 0.313 4.633 4.320 -0.000 0.000 0.231 260 A C 1.111 178.706 177.584 0.018 0.000 1.055 260 A CA 1.000 53.046 52.037 0.015 0.000 0.756 260 A CB 0.325 19.328 19.000 0.004 0.000 0.988 260 A HN 0.799 nan 8.150 nan 0.000 0.509 261 A N 2.130 124.924 122.820 -0.043 0.000 1.845 261 A HA -0.050 4.270 4.320 -0.000 0.000 0.215 261 A C 2.501 180.082 177.584 -0.006 0.000 1.195 261 A CA 2.489 54.478 52.037 -0.081 0.000 0.616 261 A CB -1.309 17.415 19.000 -0.461 0.000 0.832 261 A HN 1.596 nan 8.150 nan 0.000 0.443 262 S N -0.183 115.492 115.700 -0.042 0.000 2.331 262 S HA 0.224 4.694 4.470 -0.000 0.000 0.208 262 S C 1.753 176.364 174.600 0.018 0.000 1.032 262 S CA 0.847 59.045 58.200 -0.003 0.000 0.991 262 S CB -1.535 61.652 63.200 -0.022 0.000 0.980 262 S HN 0.805 nan 8.310 nan 0.000 0.433 263 G N 0.859 109.664 108.800 0.009 0.000 2.597 263 G HA2 0.431 4.391 3.960 -0.000 0.000 0.194 263 G HA3 0.431 4.391 3.960 -0.000 0.000 0.194 263 G C 0.277 175.192 174.900 0.025 0.000 1.625 263 G CA -0.074 45.035 45.100 0.016 0.000 1.050 263 G HN 1.218 nan 8.290 nan 0.000 0.531 264 G N -0.708 108.106 108.800 0.022 0.000 3.582 264 G HA2 0.432 4.392 3.960 -0.000 0.000 0.302 264 G HA3 0.432 4.392 3.960 -0.000 0.000 0.302 264 G C -0.418 174.496 174.900 0.024 0.000 1.418 264 G CA -0.456 44.661 45.100 0.028 0.000 0.718 264 G HN 0.194 nan 8.290 nan 0.000 0.479 265 K N 1.916 122.329 120.400 0.022 0.000 2.187 265 K HA 0.430 4.750 4.320 -0.000 0.000 0.242 265 K C 0.886 177.500 176.600 0.023 0.000 1.179 265 K CA -0.360 55.939 56.287 0.019 0.000 1.097 265 K CB 0.682 33.191 32.500 0.016 0.000 1.634 265 K HN 0.614 nan 8.250 nan 0.000 0.335 266 A N 2.289 125.122 122.820 0.023 0.000 2.567 266 A HA 0.067 4.387 4.320 -0.000 0.000 0.240 266 A C 0.261 177.857 177.584 0.019 0.000 1.053 266 A CA 0.468 52.519 52.037 0.023 0.000 0.755 266 A CB -0.027 18.985 19.000 0.021 0.000 0.978 266 A HN 0.659 nan 8.150 nan 0.000 0.507 267 E N 1.166 121.378 120.200 0.020 0.000 2.407 267 E HA 0.601 4.951 4.350 -0.000 0.000 0.279 267 E C -1.983 174.624 176.600 0.013 0.000 1.012 267 E CA -0.573 55.836 56.400 0.015 0.000 0.800 267 E CB 2.045 31.756 29.700 0.017 0.000 1.276 267 E HN 0.490 nan 8.360 nan 0.000 0.452 268 V N 4.007 123.925 119.914 0.007 0.000 2.577 268 V HA 0.487 4.607 4.120 -0.000 0.000 0.303 268 V C -0.604 175.488 176.094 -0.004 0.000 1.042 268 V CA -0.570 61.730 62.300 0.001 0.000 0.872 268 V CB 1.627 33.450 31.823 -0.000 0.000 0.998 268 V HN 0.582 nan 8.190 nan 0.000 0.423 269 I N 3.140 123.704 120.570 -0.009 0.000 2.441 269 I HA 0.468 4.638 4.170 -0.000 0.000 0.295 269 I C 0.090 176.192 176.117 -0.025 0.000 0.994 269 I CA -0.339 60.952 61.300 -0.016 0.000 1.144 269 I CB 2.162 40.153 38.000 -0.016 0.000 1.314 269 I HN 0.491 nan 8.210 nan 0.000 0.445 270 T N 4.990 119.528 114.554 -0.027 0.000 2.888 270 T HA 0.674 5.024 4.350 -0.000 0.000 0.284 270 T C -0.601 174.073 174.700 -0.043 0.000 1.017 270 T CA -0.300 61.780 62.100 -0.033 0.000 1.022 270 T CB 0.842 69.694 68.868 -0.027 0.000 1.013 270 T HN 0.885 nan 8.240 nan 0.000 0.465 271 C N 2.065 121.333 119.300 -0.052 0.000 3.320 271 C HA 0.652 5.112 4.460 -0.000 0.000 0.335 271 C C 0.505 175.452 174.990 -0.072 0.000 1.430 271 C CA -0.695 58.285 59.018 -0.064 0.000 1.271 271 C CB 0.596 28.291 27.740 -0.073 0.000 1.609 271 C HN 0.730 nan 8.230 nan 0.000 0.457 272 D N -0.117 120.230 120.400 -0.088 0.000 2.338 272 D HA 0.292 4.932 4.640 -0.000 0.000 0.208 272 D C 0.239 176.469 176.300 -0.117 0.000 0.997 272 D CA 0.959 54.901 54.000 -0.097 0.000 0.880 272 D CB 0.512 41.249 40.800 -0.105 0.000 0.980 272 D HN 0.557 nan 8.370 nan 0.000 0.509 273 V N 1.054 120.887 119.914 -0.135 0.000 2.808 273 V HA 0.401 4.520 4.120 -0.000 0.000 0.308 273 V C -1.302 174.716 176.094 -0.127 0.000 1.099 273 V CA -1.058 61.151 62.300 -0.151 0.000 0.920 273 V CB 2.639 34.325 31.823 -0.227 0.000 1.014 273 V HN -0.119 nan 8.190 nan 0.000 0.425 274 L N 4.720 125.877 121.223 -0.110 0.000 2.325 274 L HA 0.626 4.966 4.340 -0.000 0.000 0.281 274 L C -0.879 175.941 176.870 -0.083 0.000 1.004 274 L CA -0.185 54.597 54.840 -0.097 0.000 0.823 274 L CB 1.350 43.350 42.059 -0.100 0.000 1.236 274 L HN 0.704 nan 8.230 nan 0.000 0.415 275 L N 6.766 127.952 121.223 -0.062 0.000 2.277 275 L HA 0.488 4.828 4.340 -0.000 0.000 0.284 275 L C -1.091 175.774 176.870 -0.007 0.000 1.028 275 L CA -0.679 54.146 54.840 -0.025 0.000 0.835 275 L CB 1.483 43.545 42.059 0.004 0.000 1.215 275 L HN 0.434 nan 8.230 nan 0.000 0.425 276 V N 5.001 124.913 119.914 -0.004 0.000 2.322 276 V HA 0.130 4.250 4.120 -0.000 0.000 0.258 276 V C 0.263 176.401 176.094 0.074 0.000 1.074 276 V CA -0.475 61.834 62.300 0.014 0.000 0.909 276 V CB 0.173 32.004 31.823 0.014 0.000 1.090 276 V HN 0.907 nan 8.190 nan 0.000 0.486 277 C N 4.262 123.619 119.300 0.096 0.000 2.647 277 C HA 0.654 5.114 4.460 -0.000 0.000 0.273 277 C C 0.896 175.968 174.990 0.138 0.000 1.088 277 C CA -0.755 58.333 59.018 0.116 0.000 1.529 277 C CB -0.869 26.939 27.740 0.113 0.000 1.810 277 C HN 0.796 nan 8.230 nan 0.000 0.422 278 I N 0.246 120.913 120.570 0.161 0.000 3.941 278 I HA 0.687 4.857 4.170 -0.000 0.000 0.321 278 I C 0.889 177.073 176.117 0.113 0.000 1.284 278 I CA 0.431 61.829 61.300 0.163 0.000 1.226 278 I CB -0.392 37.752 38.000 0.240 0.000 1.045 278 I HN 0.860 nan 8.210 nan 0.000 0.420 279 G N 0.153 109.015 108.800 0.104 0.000 2.342 279 G HA2 0.634 4.594 3.960 -0.000 0.000 0.297 279 G HA3 0.634 4.594 3.960 -0.000 0.000 0.297 279 G C -1.760 173.188 174.900 0.081 0.000 1.313 279 G CA -1.085 44.064 45.100 0.083 0.000 0.830 279 G HN 0.181 nan 8.290 nan 0.000 0.506 280 R N -0.701 119.842 120.500 0.073 0.000 2.651 280 R HA 0.783 5.123 4.340 -0.000 0.000 0.278 280 R C -0.585 175.756 176.300 0.069 0.000 1.010 280 R CA -0.804 55.340 56.100 0.073 0.000 0.896 280 R CB 1.815 32.157 30.300 0.071 0.000 1.211 280 R HN 0.903 nan 8.270 nan 0.000 0.456 281 R N 2.049 122.597 120.500 0.080 0.000 2.740 281 R HA 0.625 4.965 4.340 -0.000 0.000 0.273 281 R C -2.892 173.470 176.300 0.104 0.000 0.998 281 R CA -2.230 53.915 56.100 0.075 0.000 0.900 281 R CB 1.198 31.533 30.300 0.059 0.000 1.223 281 R HN 0.317 nan 8.270 nan 0.000 0.466 282 P HA 0.075 nan 4.420 nan 0.000 0.269 282 P C -1.393 175.999 177.300 0.154 0.000 1.215 282 P CA -0.125 63.042 63.100 0.112 0.000 0.780 282 P CB 0.315 32.057 31.700 0.069 0.000 0.898 283 F N 2.058 122.023 119.950 0.026 0.000 2.507 283 F HA 0.449 4.976 4.527 -0.000 0.000 0.328 283 F C 0.091 175.912 175.800 0.034 0.000 1.136 283 F CA -0.141 57.878 58.000 0.031 0.000 0.930 283 F CB 1.358 40.375 39.000 0.028 0.000 1.166 283 F HN 0.301 nan 8.300 nan 0.000 0.436 284 T N 0.997 115.361 114.554 -0.317 0.000 3.253 284 T HA 0.224 4.574 4.350 -0.000 0.000 0.299 284 T C 0.277 174.854 174.700 -0.205 0.000 0.927 284 T CA -0.462 61.563 62.100 -0.125 0.000 0.926 284 T CB -0.180 68.653 68.868 -0.059 0.000 1.183 284 T HN 0.421 nan 8.240 nan 0.000 0.557 285 K N 2.289 122.365 120.400 -0.540 0.000 2.414 285 K HA 0.183 4.503 4.320 -0.000 0.000 0.272 285 K C 0.064 176.681 176.600 0.028 0.000 0.993 285 K CA 0.122 56.241 56.287 -0.280 0.000 0.964 285 K CB 0.020 32.294 32.500 -0.376 0.000 0.925 285 K HN 0.361 nan 8.250 nan 0.000 0.487 286 N N 1.540 120.252 118.700 0.020 0.000 2.714 286 N HA -0.239 4.500 4.740 -0.000 0.000 0.252 286 N C -0.152 175.464 175.510 0.176 0.000 1.014 286 N CA -0.082 53.005 53.050 0.061 0.000 0.735 286 N CB -0.459 37.998 38.487 -0.050 0.000 0.924 286 N HN 0.320 nan 8.380 nan 0.000 0.540 287 L N -0.917 120.375 121.223 0.114 0.000 2.749 287 L HA 0.342 4.682 4.340 -0.000 0.000 0.242 287 L C 1.387 178.300 176.870 0.072 0.000 1.103 287 L CA 1.560 56.473 54.840 0.122 0.000 0.906 287 L CB 0.466 42.584 42.059 0.098 0.000 1.228 287 L HN 0.379 nan 8.230 nan 0.000 0.517 288 G N 0.052 108.879 108.800 0.043 0.000 2.149 288 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.235 288 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.235 288 G C 1.000 175.909 174.900 0.015 0.000 1.018 288 G CA 0.472 45.586 45.100 0.023 0.000 0.728 288 G HN 0.294 nan 8.290 nan 0.000 0.508 289 L N -0.556 120.675 121.223 0.012 0.000 2.131 289 L HA -0.041 4.299 4.340 -0.000 0.000 0.210 289 L C 2.672 179.541 176.870 -0.002 0.000 1.092 289 L CA 2.044 56.888 54.840 0.006 0.000 0.759 289 L CB -0.277 41.785 42.059 0.004 0.000 0.903 289 L HN 0.517 nan 8.230 nan 0.000 0.435 290 E N 0.061 120.258 120.200 -0.005 0.000 2.107 290 E HA -0.215 4.135 4.350 -0.000 0.000 0.191 290 E C 1.778 178.374 176.600 -0.006 0.000 0.982 290 E CA 0.884 57.279 56.400 -0.008 0.000 0.809 290 E CB 0.236 29.928 29.700 -0.012 0.000 0.756 290 E HN 0.421 nan 8.360 nan 0.000 0.459 291 E N 0.211 120.409 120.200 -0.004 0.000 2.333 291 E HA -0.112 4.238 4.350 -0.000 0.000 0.198 291 E C 1.550 178.148 176.600 -0.003 0.000 1.007 291 E CA 0.608 57.006 56.400 -0.003 0.000 0.845 291 E CB 0.043 29.742 29.700 -0.001 0.000 0.766 291 E HN 0.266 nan 8.360 nan 0.000 0.507 292 L N -1.317 119.904 121.223 -0.003 0.000 2.616 292 L HA 0.267 4.606 4.340 -0.000 0.000 0.229 292 L C 1.046 177.912 176.870 -0.008 0.000 1.110 292 L CA 0.206 55.043 54.840 -0.005 0.000 0.884 292 L CB 0.112 42.169 42.059 -0.003 0.000 1.115 292 L HN 0.281 nan 8.230 nan 0.000 0.481 293 G N 1.666 110.461 108.800 -0.008 0.000 2.221 293 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.265 293 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.265 293 G C 0.102 174.996 174.900 -0.010 0.000 1.041 293 G CA -0.107 44.987 45.100 -0.009 0.000 0.807 293 G HN 0.322 nan 8.290 nan 0.000 0.502 294 I N 1.957 122.522 120.570 -0.009 0.000 2.281 294 I HA 0.195 4.365 4.170 -0.000 0.000 0.293 294 I C 0.707 176.819 176.117 -0.007 0.000 1.085 294 I CA -0.637 60.657 61.300 -0.009 0.000 1.257 294 I CB 0.442 38.439 38.000 -0.006 0.000 1.430 294 I HN 0.218 nan 8.210 nan 0.000 0.489 295 E N 7.305 127.500 120.200 -0.009 0.000 2.373 295 E HA 0.328 4.677 4.350 -0.000 0.000 0.267 295 E C -0.467 176.129 176.600 -0.006 0.000 1.032 295 E CA -0.399 55.996 56.400 -0.009 0.000 0.889 295 E CB 1.545 31.239 29.700 -0.010 0.000 0.984 295 E HN 0.468 nan 8.360 nan 0.000 0.425 296 L N 1.677 122.896 121.223 -0.007 0.000 2.416 296 L HA 0.161 4.501 4.340 -0.000 0.000 0.262 296 L C 0.825 177.692 176.870 -0.005 0.000 1.093 296 L CA -1.024 53.814 54.840 -0.003 0.000 0.801 296 L CB 0.533 42.589 42.059 -0.005 0.000 1.191 296 L HN 0.615 nan 8.230 nan 0.000 0.459 297 D N 0.852 121.251 120.400 -0.003 0.000 2.377 297 D HA 0.104 4.744 4.640 -0.000 0.000 0.245 297 D C -1.900 174.396 176.300 -0.007 0.000 1.196 297 D CA -1.619 52.378 54.000 -0.005 0.000 0.962 297 D CB 0.231 41.028 40.800 -0.004 0.000 1.127 297 D HN 0.176 nan 8.370 nan 0.000 0.471 298 P HA -0.242 nan 4.420 nan 0.000 0.216 298 P C 1.041 178.335 177.300 -0.010 0.000 1.167 298 P CA 1.423 64.517 63.100 -0.010 0.000 0.933 298 P CB -0.020 31.674 31.700 -0.010 0.000 0.793 299 R N -1.033 119.463 120.500 -0.007 0.000 2.377 299 R HA 0.055 4.395 4.340 -0.000 0.000 0.207 299 R C 1.497 177.798 176.300 0.000 0.000 1.075 299 R CA 0.850 56.948 56.100 -0.004 0.000 1.035 299 R CB -0.845 29.456 30.300 0.001 0.000 0.857 299 R HN 0.423 nan 8.270 nan 0.000 0.475 300 G N 1.033 109.832 108.800 -0.002 0.000 2.175 300 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.244 300 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.244 300 G C -0.051 174.856 174.900 0.011 0.000 0.982 300 G CA -0.191 44.908 45.100 -0.000 0.000 0.641 300 G HN 0.252 nan 8.290 nan 0.000 0.527 301 R N 0.076 120.586 120.500 0.015 0.000 2.410 301 R HA 0.620 4.960 4.340 -0.000 0.000 0.288 301 R C 0.990 177.303 176.300 0.023 0.000 1.051 301 R CA -0.498 55.618 56.100 0.025 0.000 1.021 301 R CB 0.639 30.953 30.300 0.023 0.000 1.032 301 R HN 0.322 nan 8.270 nan 0.000 0.481 302 I N 5.810 126.401 120.570 0.034 0.000 2.505 302 I HA 0.114 4.284 4.170 -0.000 0.000 0.287 302 I C -1.655 174.483 176.117 0.035 0.000 1.104 302 I CA -1.673 59.646 61.300 0.033 0.000 1.387 302 I CB 0.453 38.481 38.000 0.046 0.000 1.404 302 I HN 0.323 nan 8.210 nan 0.000 0.528 303 P HA 0.203 nan 4.420 nan 0.000 0.275 303 P C -0.752 176.560 177.300 0.020 0.000 1.228 303 P CA -0.031 63.077 63.100 0.014 0.000 0.786 303 P CB 1.553 33.253 31.700 -0.000 0.000 0.927 304 V N -0.976 118.950 119.914 0.019 0.000 3.147 304 V HA 0.548 4.668 4.120 -0.000 0.000 0.306 304 V C -0.193 175.883 176.094 -0.031 0.000 1.209 304 V CA -1.162 61.153 62.300 0.024 0.000 1.023 304 V CB 1.527 33.418 31.823 0.114 0.000 1.059 304 V HN 0.671 nan 8.190 nan 0.000 0.435 305 N N 0.497 119.165 118.700 -0.053 0.000 2.452 305 N HA 0.283 5.023 4.740 -0.000 0.000 0.296 305 N C 1.120 176.498 175.510 -0.220 0.000 1.304 305 N CA 0.496 53.489 53.050 -0.095 0.000 0.956 305 N CB -0.352 38.099 38.487 -0.061 0.000 1.106 305 N HN 0.968 nan 8.380 nan 0.000 0.555 306 T N -3.481 110.949 114.554 -0.205 0.000 3.023 306 T HA 0.059 4.409 4.350 -0.000 0.000 0.266 306 T C 1.111 175.573 174.700 -0.396 0.000 1.093 306 T CA 0.517 62.422 62.100 -0.325 0.000 1.129 306 T CB -0.237 68.551 68.868 -0.133 0.000 0.899 306 T HN 0.437 nan 8.240 nan 0.000 0.491 307 R N 0.175 120.586 120.500 -0.147 0.000 2.334 307 R HA 0.292 4.632 4.340 -0.000 0.000 0.220 307 R C -0.117 176.376 176.300 0.321 0.000 0.917 307 R CA -0.158 55.995 56.100 0.088 0.000 1.073 307 R CB -0.607 29.797 30.300 0.174 0.000 1.056 307 R HN 0.419 nan 8.270 nan 0.000 0.506 308 F N 1.040 121.096 119.950 0.176 0.000 2.926 308 F HA -0.264 4.263 4.527 -0.000 0.000 0.288 308 F C 0.017 175.941 175.800 0.207 0.000 0.756 308 F CA 0.621 58.731 58.000 0.184 0.000 1.292 308 F CB -2.060 37.049 39.000 0.182 0.000 1.482 308 F HN 0.191 nan 8.300 nan 0.000 0.400 309 Q N 0.254 120.161 119.800 0.179 0.000 2.243 309 Q HA 0.598 4.938 4.340 -0.000 0.000 0.252 309 Q C 0.706 176.656 176.000 -0.083 0.000 0.909 309 Q CA -0.177 55.549 55.803 -0.128 0.000 0.922 309 Q CB 1.940 30.467 28.738 -0.352 0.000 1.215 309 Q HN 0.325 nan 8.270 nan 0.000 0.427 310 T N -0.545 113.942 114.554 -0.112 0.000 2.729 310 T HA 0.130 4.480 4.350 -0.000 0.000 0.298 310 T C 1.132 175.785 174.700 -0.079 0.000 1.013 310 T CA -0.686 61.378 62.100 -0.060 0.000 0.957 310 T CB 0.484 69.327 68.868 -0.041 0.000 1.130 310 T HN 0.436 nan 8.240 nan 0.000 0.526 311 K N 0.086 120.455 120.400 -0.051 0.000 2.089 311 K HA -0.023 4.297 4.320 -0.000 0.000 0.210 311 K C 1.188 177.751 176.600 -0.062 0.000 1.048 311 K CA 0.942 57.200 56.287 -0.048 0.000 0.926 311 K CB -1.088 31.393 32.500 -0.032 0.000 0.714 311 K HN 0.794 nan 8.250 nan 0.000 0.448 312 I N 0.652 121.180 120.570 -0.069 0.000 2.371 312 I HA 0.111 4.280 4.170 -0.000 0.000 0.290 312 I C -1.879 174.158 176.117 -0.135 0.000 1.028 312 I CA -2.002 59.251 61.300 -0.078 0.000 1.345 312 I CB 1.812 39.779 38.000 -0.056 0.000 1.407 312 I HN -0.097 nan 8.210 nan 0.000 0.501 313 P HA -0.101 nan 4.420 nan 0.000 0.220 313 P C 0.386 177.507 177.300 -0.300 0.000 1.148 313 P CA 1.517 64.507 63.100 -0.184 0.000 0.803 313 P CB -0.144 31.501 31.700 -0.092 0.000 0.782 314 N N -1.334 117.240 118.700 -0.211 0.000 2.336 314 N HA 0.038 4.778 4.740 -0.000 0.000 0.189 314 N C 0.224 175.594 175.510 -0.232 0.000 1.113 314 N CA 0.055 52.999 53.050 -0.176 0.000 0.858 314 N CB -0.262 38.215 38.487 -0.017 0.000 0.970 314 N HN 0.013 nan 8.380 nan 0.000 0.471 315 I N 1.618 122.018 120.570 -0.284 0.000 2.312 315 I HA 0.222 4.392 4.170 -0.000 0.000 0.291 315 I C -0.703 175.271 176.117 -0.239 0.000 1.031 315 I CA -0.592 60.619 61.300 -0.148 0.000 1.293 315 I CB 0.060 38.015 38.000 -0.075 0.000 1.403 315 I HN 0.037 nan 8.210 nan 0.000 0.484 316 Y N 4.400 124.715 120.300 0.026 0.000 2.631 316 Y HA 0.797 5.346 4.550 -0.000 0.000 0.328 316 Y C 0.336 176.270 175.900 0.057 0.000 1.118 316 Y CA -0.820 57.316 58.100 0.060 0.000 1.206 316 Y CB 1.772 40.265 38.460 0.055 0.000 1.337 316 Y HN 0.618 nan 8.280 nan 0.000 0.515 317 A N 1.725 124.704 122.820 0.264 0.000 2.577 317 A HA 0.770 5.089 4.320 -0.000 0.000 0.297 317 A C -1.709 175.961 177.584 0.144 0.000 1.060 317 A CA -0.534 51.597 52.037 0.157 0.000 0.697 317 A CB 1.402 20.477 19.000 0.125 0.000 1.281 317 A HN 0.705 nan 8.150 nan 0.000 0.402 318 I N -1.210 119.383 120.570 0.037 0.000 3.149 318 I HA 0.929 5.099 4.170 -0.000 0.000 0.310 318 I C 0.292 176.392 176.117 -0.028 0.000 1.343 318 I CA 0.237 61.507 61.300 -0.049 0.000 0.955 318 I CB 1.203 39.022 38.000 -0.302 0.000 1.309 318 I HN 2.471 nan 8.210 nan 0.000 0.478 319 G N 3.014 111.794 108.800 -0.033 0.000 2.508 319 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.220 319 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.220 319 G C -0.117 174.795 174.900 0.020 0.000 1.287 319 G CA 0.485 45.574 45.100 -0.019 0.000 0.916 319 G HN 0.787 nan 8.290 nan 0.000 0.574 320 D N -0.608 119.805 120.400 0.022 0.000 2.348 320 D HA 0.114 4.754 4.640 -0.000 0.000 0.216 320 D C 2.284 178.617 176.300 0.056 0.000 0.970 320 D CA 1.106 55.127 54.000 0.036 0.000 0.889 320 D CB 0.371 41.191 40.800 0.033 0.000 0.912 320 D HN 0.444 nan 8.370 nan 0.000 0.524 321 V N 0.212 120.165 119.914 0.064 0.000 3.541 321 V HA 0.041 4.161 4.120 -0.000 0.000 0.267 321 V C 0.751 176.886 176.094 0.068 0.000 1.213 321 V CA 0.326 62.672 62.300 0.076 0.000 1.149 321 V CB 0.074 31.948 31.823 0.085 0.000 0.822 321 V HN 0.015 nan 8.190 nan 0.000 0.462 322 V N -2.042 117.915 119.914 0.072 0.000 3.229 322 V HA 0.944 5.064 4.120 -0.000 0.000 0.310 322 V C 0.491 176.621 176.094 0.060 0.000 1.206 322 V CA -0.607 61.742 62.300 0.082 0.000 1.051 322 V CB 1.006 32.913 31.823 0.141 0.000 1.183 322 V HN 0.186 nan 8.190 nan 0.000 0.466 323 A N -0.189 122.657 122.820 0.043 0.000 2.281 323 A HA 0.733 5.053 4.320 -0.000 0.000 0.271 323 A C 1.026 178.588 177.584 -0.037 0.000 1.196 323 A CA 0.599 52.629 52.037 -0.011 0.000 0.807 323 A CB -0.923 18.047 19.000 -0.050 0.000 1.138 323 A HN 3.044 nan 8.150 nan 0.000 0.506 324 G N -1.751 106.986 108.800 -0.105 0.000 2.728 324 G HA2 0.068 4.028 3.960 -0.000 0.000 0.294 324 G HA3 0.068 4.028 3.960 -0.000 0.000 0.294 324 G C -2.833 172.057 174.900 -0.016 0.000 1.342 324 G CA -0.424 44.589 45.100 -0.145 0.000 0.866 324 G HN 0.860 nan 8.290 nan 0.000 0.534 325 P HA 0.338 nan 4.420 nan 0.000 0.266 325 P C 0.439 177.752 177.300 0.023 0.000 1.195 325 P CA 0.203 63.331 63.100 0.048 0.000 0.768 325 P CB 0.292 32.032 31.700 0.067 0.000 0.838 326 M N 3.437 123.048 119.600 0.018 0.000 3.213 326 M HA 0.225 4.704 4.480 -0.000 0.000 0.275 326 M C -0.420 175.858 176.300 -0.037 0.000 1.424 326 M CA 0.374 55.675 55.300 0.003 0.000 1.561 326 M CB -0.681 31.935 32.600 0.027 0.000 1.109 326 M HN 0.181 nan 8.290 nan 0.000 0.552 327 L N -0.325 120.831 121.223 -0.111 0.000 2.323 327 L HA 0.658 4.998 4.340 -0.000 0.000 0.265 327 L C 1.146 177.875 176.870 -0.234 0.000 1.012 327 L CA -0.578 54.127 54.840 -0.225 0.000 0.820 327 L CB 1.826 43.579 42.059 -0.511 0.000 1.334 327 L HN 0.518 nan 8.230 nan 0.000 0.427 328 A N -0.071 122.639 122.820 -0.183 0.000 1.897 328 A HA -0.147 4.173 4.320 -0.000 0.000 0.215 328 A C 1.945 179.456 177.584 -0.122 0.000 1.181 328 A CA 1.368 53.350 52.037 -0.092 0.000 0.620 328 A CB -0.774 18.232 19.000 0.009 0.000 0.821 328 A HN 0.925 nan 8.150 nan 0.000 0.443 329 H N -0.640 118.410 119.070 -0.033 0.000 2.491 329 H HA -0.011 4.544 4.556 -0.000 0.000 0.290 329 H C 1.759 177.048 175.328 -0.065 0.000 1.050 329 H CA 1.300 57.316 56.048 -0.055 0.000 1.309 329 H CB -0.328 29.398 29.762 -0.059 0.000 1.392 329 H HN 0.496 nan 8.280 nan 0.000 0.554 330 K N 1.773 121.986 120.400 -0.311 0.000 1.973 330 K HA -0.073 4.247 4.320 -0.000 0.000 0.210 330 K C 2.468 178.999 176.600 -0.115 0.000 1.045 330 K CA 1.225 57.415 56.287 -0.161 0.000 0.937 330 K CB -0.379 32.041 32.500 -0.133 0.000 0.721 330 K HN 0.209 nan 8.250 nan 0.000 0.438 331 A N 1.818 124.570 122.820 -0.114 0.000 1.909 331 A HA -0.293 4.027 4.320 -0.000 0.000 0.221 331 A C 2.028 179.525 177.584 -0.145 0.000 1.223 331 A CA 2.449 54.419 52.037 -0.111 0.000 0.658 331 A CB -0.883 18.063 19.000 -0.089 0.000 0.831 331 A HN 0.643 nan 8.150 nan 0.000 0.462 332 E N -0.997 119.124 120.200 -0.132 0.000 2.077 332 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 332 E C 1.664 178.171 176.600 -0.156 0.000 0.989 332 E CA 1.245 57.553 56.400 -0.153 0.000 0.800 332 E CB -0.210 29.420 29.700 -0.117 0.000 0.746 332 E HN 0.610 nan 8.360 nan 0.000 0.452 333 D N 0.440 120.760 120.400 -0.134 0.000 2.097 333 D HA -0.116 4.524 4.640 -0.000 0.000 0.197 333 D C 1.736 177.920 176.300 -0.194 0.000 0.984 333 D CA 0.881 54.800 54.000 -0.136 0.000 0.826 333 D CB -0.116 40.614 40.800 -0.116 0.000 0.973 333 D HN 0.201 nan 8.370 nan 0.000 0.460 334 E N 0.311 120.350 120.200 -0.269 0.000 2.058 334 E HA -0.127 4.223 4.350 -0.000 0.000 0.194 334 E C 2.152 178.444 176.600 -0.514 0.000 0.997 334 E CA 1.052 57.115 56.400 -0.562 0.000 0.801 334 E CB -0.283 29.043 29.700 -0.623 0.000 0.746 334 E HN 0.269 nan 8.360 nan 0.000 0.450 335 G N 1.877 110.478 108.800 -0.332 0.000 2.628 335 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.217 335 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.217 335 G C 1.595 176.366 174.900 -0.214 0.000 1.240 335 G CA 1.184 46.132 45.100 -0.254 0.000 0.792 335 G HN 0.128 nan 8.290 nan 0.000 0.593 336 I N 1.453 121.917 120.570 -0.175 0.000 2.069 336 I HA -0.259 3.911 4.170 -0.000 0.000 0.237 336 I C 2.821 178.879 176.117 -0.099 0.000 1.053 336 I CA 2.031 63.259 61.300 -0.120 0.000 1.311 336 I CB -0.390 37.550 38.000 -0.100 0.000 1.030 336 I HN 0.419 nan 8.210 nan 0.000 0.398 337 I N -1.640 118.871 120.570 -0.098 0.000 2.546 337 I HA -0.207 3.963 4.170 -0.000 0.000 0.255 337 I C 2.789 178.909 176.117 0.004 0.000 1.163 337 I CA 0.941 62.232 61.300 -0.015 0.000 1.457 337 I CB -0.810 37.218 38.000 0.046 0.000 1.092 337 I HN 0.374 nan 8.210 nan 0.000 0.434 338 C N 1.776 121.006 119.300 -0.116 0.000 2.440 338 C HA -0.168 4.292 4.460 -0.000 0.000 0.282 338 C C 3.028 177.934 174.990 -0.139 0.000 1.223 338 C CA 1.752 60.713 59.018 -0.094 0.000 1.744 338 C CB -1.020 26.549 27.740 -0.285 0.000 2.061 338 C HN 0.606 nan 8.230 nan 0.000 0.456 339 V N 0.099 119.910 119.914 -0.172 0.000 2.490 339 V HA -0.158 3.962 4.120 -0.000 0.000 0.250 339 V C 2.242 178.338 176.094 0.004 0.000 1.061 339 V CA 2.735 64.952 62.300 -0.138 0.000 1.064 339 V CB -1.133 30.640 31.823 -0.083 0.000 0.670 339 V HN 0.752 nan 8.190 nan 0.000 0.461 340 E N 0.618 120.822 120.200 0.008 0.000 2.268 340 E HA -0.026 4.324 4.350 -0.000 0.000 0.195 340 E C 2.161 178.793 176.600 0.052 0.000 0.995 340 E CA 0.951 57.375 56.400 0.040 0.000 0.836 340 E CB -0.466 29.246 29.700 0.020 0.000 0.763 340 E HN 0.775 nan 8.360 nan 0.000 0.491 341 G N 0.759 109.581 108.800 0.038 0.000 2.394 341 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.214 341 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.214 341 G C 1.456 176.388 174.900 0.052 0.000 1.176 341 G CA 0.558 45.693 45.100 0.058 0.000 0.786 341 G HN 0.175 nan 8.290 nan 0.000 0.533 342 M N 0.954 120.540 119.600 -0.023 0.000 2.446 342 M HA 0.103 4.583 4.480 -0.000 0.000 0.263 342 M C 2.346 178.761 176.300 0.191 0.000 1.066 342 M CA 1.061 56.359 55.300 -0.004 0.000 1.087 342 M CB 0.057 32.513 32.600 -0.240 0.000 1.406 342 M HN 0.266 nan 8.290 nan 0.000 0.459 343 A N -0.122 122.825 122.820 0.211 0.000 2.379 343 A HA 0.539 4.859 4.320 -0.000 0.000 0.236 343 A C 1.640 179.282 177.584 0.098 0.000 1.272 343 A CA 0.524 52.684 52.037 0.204 0.000 0.886 343 A CB -0.446 18.632 19.000 0.129 0.000 0.962 343 A HN 0.624 nan 8.150 nan 0.000 0.504 344 G N -1.264 107.592 108.800 0.093 0.000 2.284 344 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.216 344 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.216 344 G C 1.007 175.942 174.900 0.057 0.000 1.009 344 G CA 0.072 45.212 45.100 0.067 0.000 0.625 344 G HN 1.500 nan 8.290 nan 0.000 0.501 345 G N 0.879 109.712 108.800 0.055 0.000 2.825 345 G HA2 0.517 4.477 3.960 -0.000 0.000 0.241 345 G HA3 0.517 4.477 3.960 -0.000 0.000 0.241 345 G C 0.844 175.781 174.900 0.061 0.000 1.239 345 G CA 0.950 46.080 45.100 0.050 0.000 0.859 345 G HN 1.665 nan 8.290 nan 0.000 0.598 346 A N -1.255 121.601 122.820 0.060 0.000 2.280 346 A HA 0.549 4.869 4.320 -0.000 0.000 0.268 346 A C 0.581 178.223 177.584 0.097 0.000 1.111 346 A CA 0.366 52.447 52.037 0.073 0.000 0.814 346 A CB 0.802 19.843 19.000 0.069 0.000 1.093 346 A HN 1.927 nan 8.150 nan 0.000 0.498 347 V N -1.129 118.855 119.914 0.116 0.000 2.502 347 V HA 0.410 4.530 4.120 -0.000 0.000 0.261 347 V C -0.449 175.741 176.094 0.159 0.000 0.996 347 V CA -0.329 62.057 62.300 0.143 0.000 1.095 347 V CB -0.665 31.239 31.823 0.136 0.000 1.325 347 V HN 0.926 nan 8.190 nan 0.000 0.574 348 H N 2.027 121.129 119.070 0.054 0.000 2.458 348 H HA 0.823 5.379 4.556 -0.000 0.000 0.330 348 H C -0.924 174.419 175.328 0.025 0.000 1.111 348 H CA -0.766 55.303 56.048 0.035 0.000 1.245 348 H CB 1.882 31.658 29.762 0.022 0.000 1.456 348 H HN 0.701 nan 8.280 nan 0.000 0.488 349 I N 4.169 124.332 120.570 -0.678 0.000 2.548 349 I HA 0.182 4.352 4.170 -0.000 0.000 0.287 349 I C -1.546 174.140 176.117 -0.719 0.000 1.103 349 I CA -0.672 60.285 61.300 -0.571 0.000 1.049 349 I CB 1.449 39.257 38.000 -0.320 0.000 1.232 349 I HN 0.633 nan 8.210 nan 0.000 0.429 350 D N 6.068 126.150 120.400 -0.530 0.000 2.473 350 D HA 0.232 4.872 4.640 -0.000 0.000 0.226 350 D C 0.287 176.463 176.300 -0.207 0.000 1.089 350 D CA -0.028 53.806 54.000 -0.276 0.000 0.883 350 D CB 0.579 41.344 40.800 -0.058 0.000 1.029 350 D HN 0.414 nan 8.370 nan 0.000 0.517 351 Y N 1.943 122.229 120.300 -0.023 0.000 2.483 351 Y HA -0.103 4.447 4.550 -0.000 0.000 0.291 351 Y C 2.020 177.936 175.900 0.028 0.000 1.143 351 Y CA 0.633 58.738 58.100 0.009 0.000 1.289 351 Y CB -0.228 38.243 38.460 0.019 0.000 0.983 351 Y HN 0.378 nan 8.280 nan 0.000 0.556 352 N N -1.035 117.751 118.700 0.143 0.000 2.494 352 N HA -0.076 4.664 4.740 -0.000 0.000 0.182 352 N C 0.490 176.040 175.510 0.066 0.000 1.076 352 N CA 0.781 53.898 53.050 0.112 0.000 0.908 352 N CB -0.112 38.434 38.487 0.099 0.000 0.967 352 N HN 0.207 nan 8.380 nan 0.000 0.449 353 C N -0.526 118.789 119.300 0.026 0.000 2.884 353 C HA 0.391 4.851 4.460 -0.000 0.000 0.287 353 C C 0.704 175.679 174.990 -0.026 0.000 1.310 353 C CA -1.009 58.003 59.018 -0.009 0.000 1.725 353 C CB -1.160 26.559 27.740 -0.034 0.000 2.060 353 C HN 0.141 nan 8.230 nan 0.000 0.618 354 V N 3.819 123.736 119.914 0.006 0.000 2.461 354 V HA 0.417 4.537 4.120 -0.000 0.000 0.275 354 V C -2.519 173.576 176.094 0.001 0.000 1.047 354 V CA -1.363 60.956 62.300 0.032 0.000 0.955 354 V CB 1.209 33.079 31.823 0.079 0.000 0.988 354 V HN 0.167 nan 8.190 nan 0.000 0.471 355 P HA 0.472 nan 4.420 nan 0.000 0.276 355 P C -1.220 175.932 177.300 -0.246 0.000 1.244 355 P CA -0.288 62.674 63.100 -0.231 0.000 0.801 355 P CB 1.019 32.529 31.700 -0.318 0.000 1.006 356 S N -0.243 115.090 115.700 -0.612 0.000 2.548 356 S HA 0.661 5.131 4.470 -0.000 0.000 0.286 356 S C -0.853 173.247 174.600 -0.833 0.000 1.098 356 S CA -0.615 57.166 58.200 -0.697 0.000 0.930 356 S CB 1.448 63.971 63.200 -1.128 0.000 1.070 356 S HN 0.168 nan 8.310 nan 0.000 0.480 357 V N 2.607 122.182 119.914 -0.565 0.000 2.841 357 V HA 0.550 4.670 4.120 -0.000 0.000 0.310 357 V C -1.027 174.766 176.094 -0.501 0.000 1.090 357 V CA -0.664 61.274 62.300 -0.604 0.000 0.930 357 V CB 1.908 33.283 31.823 -0.747 0.000 1.014 357 V HN 0.846 nan 8.190 nan 0.000 0.425 358 I N 3.688 123.994 120.570 -0.440 0.000 2.382 358 I HA 0.330 4.500 4.170 -0.000 0.000 0.285 358 I C -0.650 175.308 176.117 -0.265 0.000 1.007 358 I CA -0.443 60.724 61.300 -0.221 0.000 1.142 358 I CB 1.358 39.301 38.000 -0.094 0.000 1.289 358 I HN 0.649 nan 8.210 nan 0.000 0.453 359 Y N 4.094 124.398 120.300 0.006 0.000 2.706 359 Y HA 0.012 4.562 4.550 -0.000 0.000 0.362 359 Y C 1.813 177.737 175.900 0.040 0.000 1.107 359 Y CA -0.497 57.602 58.100 -0.002 0.000 1.477 359 Y CB -0.728 37.723 38.460 -0.014 0.000 1.326 359 Y HN 0.562 nan 8.280 nan 0.000 0.499 360 T N -2.729 111.937 114.554 0.186 0.000 2.715 360 T HA 0.052 4.402 4.350 -0.000 0.000 0.320 360 T C -0.308 174.495 174.700 0.172 0.000 1.046 360 T CA -0.427 61.808 62.100 0.225 0.000 0.983 360 T CB 0.933 70.019 68.868 0.364 0.000 1.183 360 T HN 0.360 nan 8.240 nan 0.000 0.522 361 H N 1.227 120.343 119.070 0.076 0.000 3.108 361 H HA 0.367 4.923 4.556 -0.000 0.000 0.329 361 H C -2.826 172.563 175.328 0.101 0.000 0.978 361 H CA -1.888 54.157 56.048 -0.004 0.000 1.413 361 H CB 1.745 31.383 29.762 -0.207 0.000 1.670 361 H HN 0.502 nan 8.280 nan 0.000 0.512 362 P HA 0.046 nan 4.420 nan 0.000 0.269 362 P C -0.409 176.813 177.300 -0.130 0.000 1.217 362 P CA -0.023 62.893 63.100 -0.306 0.000 0.783 362 P CB 1.762 33.397 31.700 -0.109 0.000 0.898 363 E N -0.346 119.713 120.200 -0.235 0.000 2.280 363 E HA 0.494 4.844 4.350 -0.000 0.000 0.264 363 E C -0.672 175.772 176.600 -0.261 0.000 1.064 363 E CA -1.079 55.196 56.400 -0.208 0.000 0.900 363 E CB 1.020 30.593 29.700 -0.211 0.000 1.123 363 E HN 0.130 nan 8.360 nan 0.000 0.418 364 V N 0.125 119.850 119.914 -0.314 0.000 2.709 364 V HA 0.825 4.945 4.120 -0.000 0.000 0.308 364 V C -0.727 175.284 176.094 -0.137 0.000 1.062 364 V CA -0.827 61.334 62.300 -0.231 0.000 0.901 364 V CB 1.475 33.078 31.823 -0.367 0.000 1.003 364 V HN 0.821 nan 8.190 nan 0.000 0.425 365 A N 3.702 126.539 122.820 0.028 0.000 2.577 365 A HA 0.964 5.284 4.320 -0.000 0.000 0.297 365 A C -1.782 175.887 177.584 0.141 0.000 1.060 365 A CA -0.594 51.369 52.037 -0.123 0.000 0.697 365 A CB 1.592 20.436 19.000 -0.259 0.000 1.281 365 A HN 1.832 nan 8.150 nan 0.000 0.402 366 W N 0.039 121.291 121.300 -0.080 0.000 3.066 366 W HA 0.752 5.412 4.660 -0.000 0.000 0.330 366 W C -1.983 174.467 176.519 -0.114 0.000 1.253 366 W CA -1.035 56.246 57.345 -0.108 0.000 1.187 366 W CB 0.965 30.448 29.460 0.037 0.000 1.434 366 W HN 1.186 nan 8.180 nan 0.000 0.572 367 V N 2.392 122.317 119.914 0.018 0.000 3.077 367 V HA 0.838 4.958 4.120 -0.000 0.000 0.299 367 V C 0.223 176.325 176.094 0.014 0.000 1.276 367 V CA 0.475 62.772 62.300 -0.005 0.000 0.993 367 V CB 1.382 33.160 31.823 -0.075 0.000 1.076 367 V HN 2.301 nan 8.190 nan 0.000 0.434 368 G N 5.126 113.968 108.800 0.069 0.000 2.513 368 G HA2 -0.082 3.877 3.960 -0.000 0.000 0.227 368 G HA3 -0.082 3.877 3.960 -0.000 0.000 0.227 368 G C -0.635 174.331 174.900 0.110 0.000 1.176 368 G CA 0.152 45.284 45.100 0.053 0.000 0.967 368 G HN 0.959 nan 8.290 nan 0.000 0.587 369 K N 0.446 120.906 120.400 0.101 0.000 2.422 369 K HA 0.637 4.956 4.320 -0.000 0.000 0.251 369 K C 0.201 176.908 176.600 0.178 0.000 0.933 369 K CA -0.086 56.273 56.287 0.119 0.000 0.798 369 K CB 2.054 34.583 32.500 0.049 0.000 1.238 369 K HN 0.906 nan 8.250 nan 0.000 0.428 370 S N 0.553 116.289 115.700 0.060 0.000 2.603 370 S HA 0.101 4.571 4.470 -0.000 0.000 0.268 370 S C 1.002 175.484 174.600 -0.196 0.000 1.317 370 S CA -0.603 57.510 58.200 -0.144 0.000 1.012 370 S CB 1.049 64.097 63.200 -0.252 0.000 0.926 370 S HN 0.639 nan 8.310 nan 0.000 0.539 371 E N 1.346 121.370 120.200 -0.294 0.000 2.114 371 E HA -0.231 4.119 4.350 -0.000 0.000 0.199 371 E C 1.908 178.418 176.600 -0.151 0.000 1.008 371 E CA 1.799 58.029 56.400 -0.285 0.000 0.810 371 E CB -0.187 29.398 29.700 -0.190 0.000 0.739 371 E HN 0.789 nan 8.360 nan 0.000 0.456 372 E N 0.902 121.021 120.200 -0.136 0.000 2.152 372 E HA -0.188 4.162 4.350 -0.000 0.000 0.192 372 E C 1.942 178.509 176.600 -0.054 0.000 0.983 372 E CA 0.787 57.136 56.400 -0.083 0.000 0.818 372 E CB -0.370 29.265 29.700 -0.109 0.000 0.758 372 E HN 0.390 nan 8.360 nan 0.000 0.467 373 Q N 0.088 119.851 119.800 -0.063 0.000 2.084 373 Q HA -0.101 4.239 4.340 -0.000 0.000 0.202 373 Q C 2.127 178.120 176.000 -0.012 0.000 0.978 373 Q CA 0.934 56.721 55.803 -0.026 0.000 0.844 373 Q CB -0.039 28.693 28.738 -0.011 0.000 0.898 373 Q HN 0.121 nan 8.270 nan 0.000 0.426 374 L N 0.717 121.915 121.223 -0.042 0.000 2.005 374 L HA -0.151 4.189 4.340 -0.000 0.000 0.207 374 L C 1.996 178.926 176.870 0.100 0.000 1.072 374 L CA 1.810 56.648 54.840 -0.003 0.000 0.744 374 L CB -0.493 41.461 42.059 -0.175 0.000 0.895 374 L HN 0.024 nan 8.230 nan 0.000 0.433 375 K N -0.567 119.906 120.400 0.121 0.000 2.152 375 K HA -0.226 4.094 4.320 -0.000 0.000 0.206 375 K C 1.878 178.516 176.600 0.063 0.000 1.048 375 K CA 1.609 57.974 56.287 0.130 0.000 0.933 375 K CB -0.054 32.513 32.500 0.111 0.000 0.721 375 K HN 0.435 nan 8.250 nan 0.000 0.447 376 E N 0.353 120.575 120.200 0.037 0.000 2.478 376 E HA -0.107 4.243 4.350 -0.000 0.000 0.194 376 E C 0.637 177.254 176.600 0.028 0.000 1.045 376 E CA 0.507 56.921 56.400 0.024 0.000 0.868 376 E CB 0.337 30.042 29.700 0.009 0.000 0.885 376 E HN 0.298 nan 8.360 nan 0.000 0.505 377 E N -0.259 119.964 120.200 0.038 0.000 2.481 377 E HA 0.142 4.492 4.350 -0.000 0.000 0.198 377 E C 0.687 177.315 176.600 0.047 0.000 1.027 377 E CA 0.248 56.672 56.400 0.039 0.000 0.900 377 E CB 0.769 30.494 29.700 0.043 0.000 0.993 377 E HN 0.416 nan 8.360 nan 0.000 0.482 378 G N 2.041 110.874 108.800 0.054 0.000 2.203 378 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.263 378 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.263 378 G C 0.218 175.156 174.900 0.063 0.000 1.012 378 G CA 0.155 45.285 45.100 0.051 0.000 0.749 378 G HN 0.262 nan 8.290 nan 0.000 0.512 379 I N 0.360 120.990 120.570 0.099 0.000 2.441 379 I HA 0.197 4.367 4.170 -0.000 0.000 0.287 379 I C 0.811 177.022 176.117 0.158 0.000 1.049 379 I CA -0.264 61.106 61.300 0.118 0.000 1.381 379 I CB 1.077 39.152 38.000 0.126 0.000 1.409 379 I HN 0.091 nan 8.210 nan 0.000 0.523 380 E N 6.578 126.828 120.200 0.083 0.000 2.180 380 E HA 0.213 4.563 4.350 -0.000 0.000 0.283 380 E C -1.401 175.235 176.600 0.061 0.000 1.061 380 E CA -0.228 56.172 56.400 0.001 0.000 0.861 380 E CB 0.721 30.407 29.700 -0.024 0.000 1.056 380 E HN 0.425 nan 8.360 nan 0.000 0.407 381 Y N 1.675 121.979 120.300 0.007 0.000 2.633 381 Y HA 0.564 5.114 4.550 -0.000 0.000 0.339 381 Y C -0.449 175.454 175.900 0.004 0.000 1.045 381 Y CA -1.352 56.754 58.100 0.010 0.000 1.098 381 Y CB 0.801 39.271 38.460 0.016 0.000 1.296 381 Y HN 0.192 nan 8.280 nan 0.000 0.494 382 K N 0.686 121.214 120.400 0.212 0.000 2.316 382 K HA 0.850 5.170 4.320 -0.000 0.000 0.234 382 K C -1.378 175.373 176.600 0.250 0.000 1.054 382 K CA -1.140 55.227 56.287 0.133 0.000 0.879 382 K CB 2.448 34.982 32.500 0.055 0.000 1.252 382 K HN 0.886 nan 8.250 nan 0.000 0.471 383 V N -2.061 117.944 119.914 0.153 0.000 2.733 383 V HA 0.706 4.826 4.120 -0.000 0.000 0.306 383 V C -0.732 175.407 176.094 0.075 0.000 1.084 383 V CA -0.291 62.087 62.300 0.130 0.000 0.905 383 V CB 1.457 33.369 31.823 0.148 0.000 1.010 383 V HN 0.926 nan 8.190 nan 0.000 0.424 384 G N 3.793 112.627 108.800 0.057 0.000 2.335 384 G HA2 0.639 4.599 3.960 -0.000 0.000 0.314 384 G HA3 0.639 4.599 3.960 -0.000 0.000 0.314 384 G C -0.800 174.130 174.900 0.050 0.000 1.129 384 G CA -0.747 44.382 45.100 0.048 0.000 0.912 384 G HN 0.852 nan 8.290 nan 0.000 0.443 385 K N 1.499 121.944 120.400 0.074 0.000 2.323 385 K HA 0.486 4.806 4.320 -0.000 0.000 0.259 385 K C -1.663 174.986 176.600 0.083 0.000 0.947 385 K CA -0.607 55.713 56.287 0.055 0.000 0.819 385 K CB 2.191 34.712 32.500 0.036 0.000 1.109 385 K HN 0.404 nan 8.250 nan 0.000 0.429 386 F N 5.633 125.483 119.950 -0.167 0.000 2.507 386 F HA 0.405 4.932 4.527 -0.000 0.000 0.328 386 F C -2.350 173.175 175.800 -0.458 0.000 1.136 386 F CA -2.272 55.557 58.000 -0.285 0.000 0.930 386 F CB 1.598 40.456 39.000 -0.236 0.000 1.166 386 F HN 0.355 nan 8.300 nan 0.000 0.436 387 P HA 0.111 nan 4.420 nan 0.000 0.287 387 P C 0.478 177.520 177.300 -0.429 0.000 1.281 387 P CA -0.031 62.689 63.100 -0.634 0.000 0.781 387 P CB 0.796 31.983 31.700 -0.855 0.000 0.903 388 F N 2.829 122.741 119.950 -0.063 0.000 2.250 388 F HA -0.183 4.344 4.527 -0.000 0.000 0.301 388 F C 2.550 178.348 175.800 -0.003 0.000 1.077 388 F CA 1.891 59.910 58.000 0.032 0.000 1.348 388 F CB -1.252 37.765 39.000 0.029 0.000 1.040 388 F HN 0.372 nan 8.300 nan 0.000 0.509 389 A N -0.476 122.386 122.820 0.069 0.000 2.125 389 A HA 0.070 4.390 4.320 -0.000 0.000 0.219 389 A C 2.187 179.772 177.584 0.002 0.000 1.156 389 A CA 1.393 53.449 52.037 0.032 0.000 0.671 389 A CB -0.939 18.048 19.000 -0.022 0.000 0.794 389 A HN 0.252 nan 8.150 nan 0.000 0.459 390 A N -0.695 122.066 122.820 -0.098 0.000 2.308 390 A HA 0.169 4.489 4.320 -0.000 0.000 0.217 390 A C 0.742 178.486 177.584 0.266 0.000 1.216 390 A CA -0.213 51.802 52.037 -0.037 0.000 0.864 390 A CB -0.289 18.453 19.000 -0.431 0.000 0.902 390 A HN 0.522 nan 8.150 nan 0.000 0.499 391 N N 0.018 118.906 118.700 0.314 0.000 2.438 391 N HA 0.173 4.913 4.740 -0.000 0.000 0.282 391 N C 0.387 176.027 175.510 0.218 0.000 1.037 391 N CA -0.018 53.238 53.050 0.343 0.000 0.942 391 N CB 1.274 40.011 38.487 0.415 0.000 1.136 391 N HN 0.063 nan 8.380 nan 0.000 0.481 392 S N 3.136 118.936 115.700 0.166 0.000 2.368 392 S HA -0.120 4.349 4.470 -0.000 0.000 0.224 392 S C 1.721 176.347 174.600 0.043 0.000 1.029 392 S CA 0.850 59.111 58.200 0.101 0.000 0.988 392 S CB -0.076 63.178 63.200 0.091 0.000 0.838 392 S HN 0.645 nan 8.310 nan 0.000 0.462 393 R N 2.087 122.598 120.500 0.017 0.000 2.075 393 R HA -0.007 4.333 4.340 -0.000 0.000 0.230 393 R C 2.295 178.624 176.300 0.049 0.000 1.140 393 R CA 1.801 57.905 56.100 0.007 0.000 0.928 393 R CB -1.063 29.240 30.300 0.004 0.000 0.834 393 R HN 0.279 nan 8.270 nan 0.000 0.429 394 A N 0.241 123.114 122.820 0.087 0.000 1.997 394 A HA -0.255 4.065 4.320 -0.000 0.000 0.221 394 A C 2.071 179.707 177.584 0.087 0.000 1.172 394 A CA 2.180 54.266 52.037 0.082 0.000 0.645 394 A CB -0.545 18.538 19.000 0.138 0.000 0.813 394 A HN 0.336 nan 8.150 nan 0.000 0.454 395 K N -0.485 119.973 120.400 0.097 0.000 2.186 395 K HA -0.041 4.278 4.320 -0.000 0.000 0.202 395 K C 2.056 178.693 176.600 0.063 0.000 1.052 395 K CA 1.697 58.034 56.287 0.084 0.000 0.965 395 K CB -0.485 32.070 32.500 0.092 0.000 0.746 395 K HN 0.570 nan 8.250 nan 0.000 0.457 396 T N -2.458 112.127 114.554 0.052 0.000 3.023 396 T HA 0.009 4.359 4.350 -0.000 0.000 0.266 396 T C 1.182 175.903 174.700 0.035 0.000 1.093 396 T CA 1.024 63.147 62.100 0.039 0.000 1.129 396 T CB -0.372 68.513 68.868 0.028 0.000 0.899 396 T HN 0.233 nan 8.240 nan 0.000 0.491 397 N N 1.258 119.983 118.700 0.042 0.000 2.398 397 N HA 0.413 5.153 4.740 -0.000 0.000 0.188 397 N C 1.116 176.664 175.510 0.063 0.000 1.122 397 N CA 0.233 53.312 53.050 0.049 0.000 0.866 397 N CB -0.069 38.450 38.487 0.054 0.000 0.970 397 N HN 0.540 nan 8.380 nan 0.000 0.462 398 A N 1.151 124.007 122.820 0.060 0.000 2.945 398 A HA -0.215 4.105 4.320 -0.000 0.000 0.263 398 A C 0.285 177.921 177.584 0.086 0.000 1.293 398 A CA 1.252 53.330 52.037 0.067 0.000 0.944 398 A CB -1.750 17.285 19.000 0.059 0.000 1.093 398 A HN 0.427 nan 8.150 nan 0.000 0.786 399 D N 0.347 120.800 120.400 0.089 0.000 2.540 399 D HA 0.427 5.067 4.640 -0.000 0.000 0.251 399 D C 1.308 177.641 176.300 0.055 0.000 1.159 399 D CA 0.648 54.709 54.000 0.102 0.000 0.974 399 D CB -0.008 40.867 40.800 0.125 0.000 0.996 399 D HN 0.539 nan 8.370 nan 0.000 0.512 400 T N -1.655 112.945 114.554 0.076 0.000 3.122 400 T HA 0.098 4.448 4.350 -0.000 0.000 0.250 400 T C 0.480 175.246 174.700 0.110 0.000 1.067 400 T CA -0.539 61.619 62.100 0.098 0.000 0.966 400 T CB 0.045 68.970 68.868 0.096 0.000 1.002 400 T HN 0.023 nan 8.240 nan 0.000 0.542 401 D N 2.398 122.836 120.400 0.064 0.000 2.493 401 D HA 0.426 5.066 4.640 -0.000 0.000 0.240 401 D C 1.173 177.555 176.300 0.137 0.000 1.142 401 D CA 1.811 55.856 54.000 0.075 0.000 0.872 401 D CB 0.695 41.516 40.800 0.035 0.000 1.173 401 D HN 0.663 nan 8.370 nan 0.000 0.467 402 G N 0.978 109.890 108.800 0.186 0.000 2.627 402 G HA2 0.038 3.998 3.960 -0.000 0.000 0.214 402 G HA3 0.038 3.998 3.960 -0.000 0.000 0.214 402 G C -0.505 174.579 174.900 0.307 0.000 1.331 402 G CA -0.062 45.199 45.100 0.267 0.000 0.891 402 G HN 0.706 nan 8.290 nan 0.000 0.539 403 M N -2.923 116.821 119.600 0.240 0.000 2.773 403 M HA 0.760 5.240 4.480 -0.000 0.000 0.270 403 M C -1.087 175.162 176.300 -0.085 0.000 1.238 403 M CA -1.199 54.035 55.300 -0.111 0.000 0.832 403 M CB 1.927 34.474 32.600 -0.088 0.000 1.672 403 M HN 0.926 nan 8.290 nan 0.000 0.480 404 V N 1.564 121.355 119.914 -0.205 0.000 2.417 404 V HA 0.582 4.702 4.120 -0.000 0.000 0.291 404 V C -0.569 175.533 176.094 0.013 0.000 1.024 404 V CA -0.461 61.822 62.300 -0.029 0.000 0.861 404 V CB 1.612 33.406 31.823 -0.048 0.000 0.985 404 V HN 0.732 nan 8.190 nan 0.000 0.436 405 K N 5.051 125.500 120.400 0.082 0.000 2.413 405 K HA 0.622 4.942 4.320 -0.000 0.000 0.257 405 K C -1.333 175.336 176.600 0.116 0.000 0.946 405 K CA -0.620 55.714 56.287 0.078 0.000 0.823 405 K CB 1.892 34.435 32.500 0.072 0.000 1.109 405 K HN 0.706 nan 8.250 nan 0.000 0.427 406 I N 3.597 124.198 120.570 0.051 0.000 2.530 406 I HA 0.443 4.613 4.170 -0.000 0.000 0.297 406 I C -1.789 174.359 176.117 0.051 0.000 1.011 406 I CA -0.628 60.691 61.300 0.031 0.000 1.107 406 I CB 1.337 39.282 38.000 -0.091 0.000 1.285 406 I HN 0.504 nan 8.210 nan 0.000 0.436 407 L N 7.060 128.315 121.223 0.053 0.000 2.333 407 L HA 0.917 5.256 4.340 -0.000 0.000 0.280 407 L C 0.260 177.154 176.870 0.039 0.000 1.004 407 L CA -0.463 54.395 54.840 0.030 0.000 0.820 407 L CB 1.569 43.576 42.059 -0.087 0.000 1.247 407 L HN 0.870 nan 8.230 nan 0.000 0.416 408 G N 1.012 109.864 108.800 0.087 0.000 2.563 408 G HA2 0.499 4.458 3.960 -0.000 0.000 0.302 408 G HA3 0.499 4.458 3.960 -0.000 0.000 0.302 408 G C -1.288 173.689 174.900 0.128 0.000 1.301 408 G CA -0.566 44.585 45.100 0.084 0.000 0.965 408 G HN 0.472 nan 8.290 nan 0.000 0.480 409 Q N 0.579 120.442 119.800 0.104 0.000 2.304 409 Q HA 0.041 4.381 4.340 -0.000 0.000 0.301 409 Q C 1.398 177.446 176.000 0.081 0.000 1.063 409 Q CA 0.632 56.497 55.803 0.104 0.000 0.947 409 Q CB 0.970 29.755 28.738 0.077 0.000 1.201 409 Q HN 0.603 nan 8.270 nan 0.000 0.389 410 K N 1.894 122.335 120.400 0.068 0.000 2.148 410 K HA -0.121 4.199 4.320 -0.000 0.000 0.204 410 K C 1.105 177.721 176.600 0.026 0.000 1.050 410 K CA 1.553 57.861 56.287 0.035 0.000 0.942 410 K CB 0.170 32.670 32.500 0.001 0.000 0.724 410 K HN 0.823 nan 8.250 nan 0.000 0.446 411 S N -1.126 114.592 115.700 0.029 0.000 2.527 411 S HA -0.088 4.382 4.470 -0.000 0.000 0.225 411 S C 2.129 176.747 174.600 0.028 0.000 1.046 411 S CA 0.657 58.871 58.200 0.023 0.000 0.929 411 S CB -0.477 62.734 63.200 0.019 0.000 0.851 411 S HN 0.415 nan 8.310 nan 0.000 0.565 412 T N -0.177 114.397 114.554 0.033 0.000 2.788 412 T HA -0.086 4.263 4.350 -0.000 0.000 0.268 412 T C 0.934 175.656 174.700 0.038 0.000 1.044 412 T CA 1.995 64.116 62.100 0.034 0.000 1.139 412 T CB -0.859 68.031 68.868 0.037 0.000 0.867 412 T HN 0.443 nan 8.240 nan 0.000 0.454 413 D N -0.367 120.059 120.400 0.043 0.000 3.059 413 D HA -0.172 4.468 4.640 -0.000 0.000 0.208 413 D C 0.097 176.425 176.300 0.046 0.000 1.079 413 D CA 0.843 54.870 54.000 0.045 0.000 0.986 413 D CB -1.769 39.056 40.800 0.041 0.000 1.090 413 D HN 0.759 nan 8.370 nan 0.000 0.428 414 R N 0.106 120.635 120.500 0.049 0.000 2.643 414 R HA 0.403 4.743 4.340 -0.000 0.000 0.270 414 R C 0.552 176.881 176.300 0.050 0.000 1.061 414 R CA 0.067 56.197 56.100 0.050 0.000 1.107 414 R CB 0.760 31.091 30.300 0.052 0.000 0.999 414 R HN 0.139 nan 8.270 nan 0.000 0.460 415 V N 3.796 123.738 119.914 0.046 0.000 2.686 415 V HA 0.221 4.341 4.120 -0.000 0.000 0.295 415 V C 0.472 176.591 176.094 0.042 0.000 1.055 415 V CA -0.079 62.244 62.300 0.038 0.000 1.050 415 V CB 1.008 32.851 31.823 0.033 0.000 0.984 415 V HN 0.879 nan 8.190 nan 0.000 0.482 416 L N 3.434 124.677 121.223 0.032 0.000 2.878 416 L HA 0.671 5.011 4.340 -0.000 0.000 0.253 416 L C 0.958 177.840 176.870 0.020 0.000 1.135 416 L CA 0.670 55.528 54.840 0.030 0.000 0.943 416 L CB 0.730 42.804 42.059 0.026 0.000 1.307 416 L HN 1.020 nan 8.230 nan 0.000 0.545 417 G N 0.226 109.028 108.800 0.003 0.000 2.716 417 G HA2 0.633 4.593 3.960 -0.000 0.000 0.299 417 G HA3 0.633 4.593 3.960 -0.000 0.000 0.299 417 G C -1.937 172.887 174.900 -0.126 0.000 1.450 417 G CA 0.063 45.123 45.100 -0.066 0.000 0.968 417 G HN -0.016 nan 8.290 nan 0.000 0.566 418 A N 2.203 124.872 122.820 -0.253 0.000 2.365 418 A HA 0.942 5.262 4.320 -0.000 0.000 0.318 418 A C -0.958 176.445 177.584 -0.302 0.000 1.091 418 A CA -0.755 51.220 52.037 -0.103 0.000 0.763 418 A CB 1.392 20.482 19.000 0.151 0.000 1.248 418 A HN 0.788 nan 8.150 nan 0.000 0.442 419 H N 1.481 120.646 119.070 0.159 0.000 2.877 419 H HA 0.491 5.046 4.556 -0.000 0.000 0.347 419 H C -1.484 173.930 175.328 0.143 0.000 1.042 419 H CA -0.232 55.912 56.048 0.161 0.000 1.276 419 H CB 1.638 31.436 29.762 0.060 0.000 1.681 419 H HN 0.564 nan 8.280 nan 0.000 0.521 420 I N 3.873 124.601 120.570 0.263 0.000 2.499 420 I HA 0.205 4.375 4.170 -0.000 0.000 0.288 420 I C -0.922 175.298 176.117 0.172 0.000 1.048 420 I CA -0.790 60.646 61.300 0.226 0.000 1.062 420 I CB 2.657 40.779 38.000 0.204 0.000 1.238 420 I HN 0.205 nan 8.210 nan 0.000 0.426 421 L N 6.469 127.817 121.223 0.207 0.000 2.376 421 L HA 1.022 5.362 4.340 -0.000 0.000 0.275 421 L C -0.195 176.784 176.870 0.183 0.000 0.987 421 L CA 0.415 55.320 54.840 0.109 0.000 0.828 421 L CB 1.543 43.649 42.059 0.078 0.000 1.249 421 L HN 0.830 nan 8.230 nan 0.000 0.409 422 G N 3.863 112.628 108.800 -0.060 0.000 2.369 422 G HA2 0.134 4.094 3.960 -0.000 0.000 0.295 422 G HA3 0.134 4.094 3.960 -0.000 0.000 0.295 422 G C -3.364 171.214 174.900 -0.538 0.000 1.298 422 G CA -0.661 44.229 45.100 -0.350 0.000 0.940 422 G HN 0.508 nan 8.290 nan 0.000 0.536 423 P HA 0.348 nan 4.420 nan 0.000 0.267 423 P C 1.024 178.096 177.300 -0.380 0.000 1.209 423 P CA 1.845 64.651 63.100 -0.490 0.000 0.763 423 P CB 0.759 32.217 31.700 -0.403 0.000 0.816 424 G N 3.204 111.877 108.800 -0.211 0.000 2.143 424 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.249 424 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.249 424 G C 1.068 175.900 174.900 -0.113 0.000 0.981 424 G CA 0.311 45.336 45.100 -0.124 0.000 0.665 424 G HN 0.675 nan 8.290 nan 0.000 0.528 425 A N 0.012 122.748 122.820 -0.141 0.000 2.024 425 A HA 0.290 4.610 4.320 -0.000 0.000 0.220 425 A C 2.653 180.150 177.584 -0.145 0.000 1.164 425 A CA 2.295 54.270 52.037 -0.103 0.000 0.643 425 A CB -0.677 18.259 19.000 -0.107 0.000 0.806 425 A HN 1.596 nan 8.150 nan 0.000 0.451 426 G N -1.071 107.632 108.800 -0.162 0.000 2.430 426 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.216 426 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.216 426 G C 1.404 176.234 174.900 -0.117 0.000 1.146 426 G CA 0.726 45.710 45.100 -0.194 0.000 0.793 426 G HN 0.452 nan 8.290 nan 0.000 0.537 427 E N -0.121 120.032 120.200 -0.078 0.000 2.122 427 E HA 0.066 4.416 4.350 -0.000 0.000 0.190 427 E C 2.315 178.844 176.600 -0.119 0.000 0.977 427 E CA 0.250 56.605 56.400 -0.075 0.000 0.820 427 E CB -0.263 29.412 29.700 -0.041 0.000 0.770 427 E HN 0.435 nan 8.360 nan 0.000 0.462 428 M N 0.550 120.073 119.600 -0.128 0.000 2.159 428 M HA -0.111 4.368 4.480 -0.000 0.000 0.263 428 M C 2.199 178.324 176.300 -0.292 0.000 1.063 428 M CA 0.865 56.051 55.300 -0.189 0.000 1.110 428 M CB 0.016 32.548 32.600 -0.113 0.000 1.374 428 M HN -0.055 nan 8.290 nan 0.000 0.411 429 V N 1.024 120.806 119.914 -0.221 0.000 2.828 429 V HA -0.277 3.843 4.120 -0.000 0.000 0.260 429 V C 1.065 177.020 176.094 -0.231 0.000 1.101 429 V CA 2.192 64.357 62.300 -0.225 0.000 1.123 429 V CB -0.904 30.797 31.823 -0.204 0.000 0.704 429 V HN 0.617 nan 8.190 nan 0.000 0.493 430 N N -0.509 118.060 118.700 -0.219 0.000 2.446 430 N HA -0.070 4.670 4.740 -0.000 0.000 0.179 430 N C 1.784 177.186 175.510 -0.180 0.000 1.054 430 N CA 0.731 53.669 53.050 -0.188 0.000 0.905 430 N CB -0.025 38.365 38.487 -0.161 0.000 0.973 430 N HN 0.573 nan 8.380 nan 0.000 0.448 431 E N 0.917 120.975 120.200 -0.237 0.000 2.152 431 E HA -0.055 4.295 4.350 -0.000 0.000 0.192 431 E C 1.705 178.194 176.600 -0.186 0.000 0.983 431 E CA 0.631 56.904 56.400 -0.211 0.000 0.818 431 E CB 0.087 29.622 29.700 -0.275 0.000 0.758 431 E HN 0.389 nan 8.360 nan 0.000 0.467 432 A N 1.040 123.699 122.820 -0.269 0.000 1.930 432 A HA 0.095 4.415 4.320 -0.000 0.000 0.215 432 A C 2.310 179.887 177.584 -0.012 0.000 1.176 432 A CA 1.208 53.234 52.037 -0.018 0.000 0.632 432 A CB -0.381 18.647 19.000 0.046 0.000 0.819 432 A HN 0.335 nan 8.150 nan 0.000 0.445 433 A N -0.508 122.258 122.820 -0.090 0.000 2.015 433 A HA 0.058 4.378 4.320 -0.000 0.000 0.219 433 A C 2.066 179.591 177.584 -0.099 0.000 1.163 433 A CA 1.525 53.507 52.037 -0.091 0.000 0.646 433 A CB -0.444 18.478 19.000 -0.129 0.000 0.806 433 A HN 0.700 nan 8.150 nan 0.000 0.448 434 L N -0.979 120.178 121.223 -0.109 0.000 2.162 434 L HA 0.192 4.532 4.340 -0.000 0.000 0.205 434 L C 2.507 179.296 176.870 -0.135 0.000 1.086 434 L CA 1.792 56.535 54.840 -0.161 0.000 0.778 434 L CB -0.477 41.496 42.059 -0.144 0.000 0.928 434 L HN 0.246 nan 8.230 nan 0.000 0.446 435 A N -0.117 122.702 122.820 -0.002 0.000 1.930 435 A HA -0.129 4.190 4.320 -0.000 0.000 0.217 435 A C 2.239 179.865 177.584 0.070 0.000 1.175 435 A CA 1.765 53.856 52.037 0.090 0.000 0.627 435 A CB -0.893 18.214 19.000 0.178 0.000 0.815 435 A HN 0.482 nan 8.150 nan 0.000 0.443 436 L N -0.440 120.805 121.223 0.037 0.000 2.043 436 L HA -0.224 4.116 4.340 -0.000 0.000 0.212 436 L C 2.670 179.547 176.870 0.011 0.000 1.075 436 L CA 1.571 56.429 54.840 0.030 0.000 0.752 436 L CB -0.629 41.438 42.059 0.013 0.000 0.891 436 L HN 0.421 nan 8.230 nan 0.000 0.432 437 E N -0.477 119.682 120.200 -0.069 0.000 2.110 437 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 437 E C 1.867 178.451 176.600 -0.027 0.000 0.988 437 E CA 1.286 57.622 56.400 -0.107 0.000 0.804 437 E CB -0.155 29.387 29.700 -0.262 0.000 0.745 437 E HN 0.489 nan 8.360 nan 0.000 0.458 438 Y N 0.151 120.468 120.300 0.030 0.000 2.529 438 Y HA 0.204 4.753 4.550 -0.000 0.000 0.290 438 Y C 1.338 177.256 175.900 0.030 0.000 1.177 438 Y CA 0.193 58.309 58.100 0.027 0.000 1.305 438 Y CB -0.232 38.242 38.460 0.025 0.000 1.047 438 Y HN 0.052 nan 8.280 nan 0.000 0.522 439 G N 0.858 109.757 108.800 0.165 0.000 2.371 439 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.299 439 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.299 439 G C 0.495 175.462 174.900 0.111 0.000 1.014 439 G CA 0.155 45.324 45.100 0.115 0.000 1.097 439 G HN 0.639 nan 8.290 nan 0.000 0.512 440 A N -0.199 122.694 122.820 0.122 0.000 2.280 440 A HA 0.897 5.217 4.320 -0.000 0.000 0.268 440 A C 1.017 178.647 177.584 0.076 0.000 1.111 440 A CA 0.694 52.795 52.037 0.106 0.000 0.814 440 A CB 0.634 19.710 19.000 0.127 0.000 1.093 440 A HN 2.104 nan 8.150 nan 0.000 0.498 441 S N -1.721 114.016 115.700 0.062 0.000 2.704 441 S HA 0.332 4.802 4.470 -0.000 0.000 0.305 441 S C 0.918 175.541 174.600 0.037 0.000 1.107 441 S CA -0.125 58.103 58.200 0.047 0.000 0.993 441 S CB 0.688 63.913 63.200 0.042 0.000 1.110 441 S HN 0.766 nan 8.310 nan 0.000 0.534 442 C N 0.756 120.070 119.300 0.023 0.000 2.401 442 C HA -0.075 4.385 4.460 -0.000 0.000 0.276 442 C C 2.666 177.662 174.990 0.010 0.000 1.233 442 C CA 1.224 60.241 59.018 -0.001 0.000 1.753 442 C CB -1.560 26.181 27.740 0.002 0.000 2.029 442 C HN 1.051 nan 8.230 nan 0.000 0.478 443 E N 0.977 121.194 120.200 0.028 0.000 2.051 443 E HA -0.212 4.138 4.350 -0.000 0.000 0.192 443 E C 1.594 178.214 176.600 0.032 0.000 0.991 443 E CA 1.362 57.780 56.400 0.031 0.000 0.799 443 E CB -0.168 29.552 29.700 0.033 0.000 0.748 443 E HN 0.583 nan 8.360 nan 0.000 0.449 444 D N 0.503 120.927 120.400 0.039 0.000 2.116 444 D HA -0.204 4.436 4.640 -0.000 0.000 0.193 444 D C 1.967 178.309 176.300 0.071 0.000 0.998 444 D CA 1.064 55.094 54.000 0.050 0.000 0.836 444 D CB -0.247 40.590 40.800 0.061 0.000 0.951 444 D HN 0.241 nan 8.370 nan 0.000 0.449 445 I N 1.345 121.963 120.570 0.079 0.000 2.252 445 I HA -0.172 3.998 4.170 -0.000 0.000 0.245 445 I C 2.467 178.656 176.117 0.121 0.000 1.102 445 I CA 0.763 62.137 61.300 0.123 0.000 1.385 445 I CB -0.509 37.537 38.000 0.076 0.000 1.064 445 I HN -0.088 nan 8.210 nan 0.000 0.414 446 A N -0.286 122.562 122.820 0.046 0.000 2.015 446 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 446 A C 2.355 179.975 177.584 0.060 0.000 1.163 446 A CA 1.298 53.356 52.037 0.034 0.000 0.646 446 A CB -0.441 18.563 19.000 0.007 0.000 0.806 446 A HN 0.211 nan 8.150 nan 0.000 0.448 447 R N -0.515 120.016 120.500 0.052 0.000 2.115 447 R HA 0.061 4.401 4.340 -0.000 0.000 0.230 447 R C 0.562 176.889 176.300 0.044 0.000 1.111 447 R CA 0.380 56.501 56.100 0.035 0.000 0.976 447 R CB -0.736 29.576 30.300 0.020 0.000 0.870 447 R HN 0.297 nan 8.270 nan 0.000 0.445 448 V N 0.355 120.309 119.914 0.066 0.000 2.763 448 V HA -0.117 4.003 4.120 -0.000 0.000 0.306 448 V C 0.389 176.488 176.094 0.008 0.000 1.059 448 V CA -0.357 61.948 62.300 0.007 0.000 1.138 448 V CB 0.876 32.672 31.823 -0.046 0.000 0.940 448 V HN 0.344 nan 8.190 nan 0.000 0.489 449 C N 7.257 126.527 119.300 -0.050 0.000 2.416 449 C HA 0.287 4.747 4.460 -0.000 0.000 0.355 449 C C 0.451 175.392 174.990 -0.081 0.000 1.211 449 C CA -0.639 58.369 59.018 -0.015 0.000 1.699 449 C CB -1.838 25.894 27.740 -0.014 0.000 2.310 449 C HN 0.861 nan 8.230 nan 0.000 0.539 450 H N 3.694 122.788 119.070 0.040 0.000 2.481 450 H HA 0.433 4.989 4.556 -0.000 0.000 0.339 450 H C 0.510 175.874 175.328 0.059 0.000 1.131 450 H CA 0.030 56.107 56.048 0.049 0.000 1.301 450 H CB 1.654 31.450 29.762 0.056 0.000 1.476 450 H HN 0.846 nan 8.280 nan 0.000 0.529 451 A N 2.302 125.216 122.820 0.156 0.000 2.462 451 A HA 0.063 4.383 4.320 -0.000 0.000 0.243 451 A C -0.182 177.500 177.584 0.162 0.000 1.076 451 A CA 0.114 52.227 52.037 0.125 0.000 0.773 451 A CB -0.353 18.694 19.000 0.079 0.000 1.010 451 A HN 0.847 nan 8.150 nan 0.000 0.493 452 H N 2.575 121.680 119.070 0.059 0.000 2.505 452 H HA 0.662 5.218 4.556 -0.000 0.000 0.338 452 H C -2.550 172.806 175.328 0.047 0.000 1.057 452 H CA -1.530 54.551 56.048 0.054 0.000 1.202 452 H CB 1.301 31.092 29.762 0.048 0.000 1.466 452 H HN 0.559 nan 8.280 nan 0.000 0.499 453 P HA 0.391 nan 4.420 nan 0.000 0.301 453 P C -1.430 175.771 177.300 -0.165 0.000 1.350 453 P CA -0.677 62.076 63.100 -0.578 0.000 0.941 453 P CB 2.139 33.391 31.700 -0.746 0.000 1.128 454 T N -1.277 113.238 114.554 -0.065 0.000 2.853 454 T HA 0.274 4.624 4.350 -0.000 0.000 0.311 454 T C 0.604 175.334 174.700 0.051 0.000 1.307 454 T CA -0.715 61.390 62.100 0.009 0.000 1.019 454 T CB 0.705 69.601 68.868 0.046 0.000 1.264 454 T HN -0.016 nan 8.240 nan 0.000 0.497 455 L N 1.468 122.735 121.223 0.074 0.000 2.046 455 L HA 0.009 4.349 4.340 -0.000 0.000 0.208 455 L C 2.892 179.867 176.870 0.175 0.000 1.077 455 L CA 1.836 56.771 54.840 0.157 0.000 0.747 455 L CB -1.535 40.572 42.059 0.080 0.000 0.896 455 L HN 0.912 nan 8.230 nan 0.000 0.432 456 S N -0.503 115.255 115.700 0.097 0.000 2.400 456 S HA -0.286 4.184 4.470 -0.000 0.000 0.234 456 S C 1.779 176.340 174.600 -0.065 0.000 1.049 456 S CA 1.581 59.816 58.200 0.057 0.000 1.039 456 S CB -0.307 62.972 63.200 0.132 0.000 0.856 456 S HN 0.549 nan 8.310 nan 0.000 0.465 457 E N 0.952 121.110 120.200 -0.071 0.000 2.130 457 E HA -0.192 4.158 4.350 -0.000 0.000 0.196 457 E C 2.317 178.701 176.600 -0.360 0.000 0.998 457 E CA 1.062 57.349 56.400 -0.189 0.000 0.806 457 E CB -0.295 29.368 29.700 -0.061 0.000 0.738 457 E HN 0.583 nan 8.360 nan 0.000 0.459 458 A N 0.873 123.518 122.820 -0.292 0.000 1.978 458 A HA -0.192 4.128 4.320 -0.000 0.000 0.220 458 A C 1.926 179.290 177.584 -0.367 0.000 1.170 458 A CA 1.077 52.803 52.037 -0.519 0.000 0.636 458 A CB -0.612 18.212 19.000 -0.294 0.000 0.810 458 A HN 0.350 nan 8.150 nan 0.000 0.448 459 F N 0.094 119.855 119.950 -0.315 0.000 2.259 459 F HA -0.002 4.525 4.527 -0.000 0.000 0.298 459 F C 2.258 177.889 175.800 -0.281 0.000 1.088 459 F CA 1.476 59.337 58.000 -0.231 0.000 1.358 459 F CB -0.168 38.740 39.000 -0.154 0.000 1.040 459 F HN 0.174 nan 8.300 nan 0.000 0.505 460 R N 0.468 120.749 120.500 -0.365 0.000 2.062 460 R HA -0.129 4.211 4.340 -0.000 0.000 0.231 460 R C 2.157 178.256 176.300 -0.335 0.000 1.136 460 R CA 1.727 57.593 56.100 -0.391 0.000 0.948 460 R CB -0.382 29.661 30.300 -0.428 0.000 0.845 460 R HN 0.276 nan 8.270 nan 0.000 0.430 461 E N -0.217 119.717 120.200 -0.443 0.000 2.204 461 E HA -0.159 4.191 4.350 -0.000 0.000 0.195 461 E C 1.677 178.186 176.600 -0.151 0.000 0.990 461 E CA 1.072 57.242 56.400 -0.383 0.000 0.821 461 E CB 0.095 29.233 29.700 -0.938 0.000 0.750 461 E HN 0.433 nan 8.360 nan 0.000 0.477 462 A N 1.492 124.193 122.820 -0.198 0.000 1.878 462 A HA -0.096 4.224 4.320 -0.000 0.000 0.213 462 A C 1.950 179.475 177.584 -0.099 0.000 1.192 462 A CA 0.619 52.630 52.037 -0.043 0.000 0.619 462 A CB -0.286 18.668 19.000 -0.077 0.000 0.837 462 A HN 0.108 nan 8.150 nan 0.000 0.446 463 N N 0.163 118.716 118.700 -0.244 0.000 2.094 463 N HA -0.192 4.548 4.740 -0.000 0.000 0.191 463 N C 1.756 177.224 175.510 -0.070 0.000 1.023 463 N CA 1.827 54.755 53.050 -0.204 0.000 0.857 463 N CB -0.466 37.827 38.487 -0.324 0.000 1.013 463 N HN 0.488 nan 8.380 nan 0.000 0.426 464 L N 1.161 122.357 121.223 -0.045 0.000 1.976 464 L HA -0.059 4.281 4.340 -0.000 0.000 0.209 464 L C 2.216 179.153 176.870 0.112 0.000 1.071 464 L CA 2.269 57.137 54.840 0.046 0.000 0.746 464 L CB -1.195 40.889 42.059 0.042 0.000 0.890 464 L HN 0.103 nan 8.230 nan 0.000 0.432 465 A N -0.122 122.766 122.820 0.113 0.000 1.958 465 A HA -0.240 4.080 4.320 -0.000 0.000 0.221 465 A C 2.475 180.098 177.584 0.065 0.000 1.178 465 A CA 2.502 54.608 52.037 0.115 0.000 0.642 465 A CB -1.419 17.672 19.000 0.152 0.000 0.816 465 A HN 0.758 nan 8.150 nan 0.000 0.453 466 A N -0.099 122.747 122.820 0.044 0.000 1.877 466 A HA -0.045 4.275 4.320 -0.000 0.000 0.216 466 A C 2.506 180.116 177.584 0.043 0.000 1.186 466 A CA 2.412 54.470 52.037 0.035 0.000 0.620 466 A CB -0.913 18.099 19.000 0.020 0.000 0.822 466 A HN 0.922 nan 8.150 nan 0.000 0.443 467 S N -0.922 114.817 115.700 0.064 0.000 2.294 467 S HA 0.131 4.601 4.470 -0.000 0.000 0.203 467 S C 0.852 175.529 174.600 0.128 0.000 1.022 467 S CA 0.277 58.527 58.200 0.084 0.000 0.955 467 S CB -0.950 62.298 63.200 0.081 0.000 0.943 467 S HN 0.420 nan 8.310 nan 0.000 0.472 468 F N 3.293 123.246 119.950 0.005 0.000 2.628 468 F HA 0.443 4.970 4.527 -0.000 0.000 0.346 468 F C 1.673 177.479 175.800 0.009 0.000 1.188 468 F CA -0.191 57.813 58.000 0.006 0.000 1.376 468 F CB 0.062 39.067 39.000 0.007 0.000 1.104 468 F HN 0.302 nan 8.300 nan 0.000 0.616 469 G N 2.920 111.324 108.800 -0.661 0.000 2.471 469 G HA2 -0.027 3.932 3.960 -0.000 0.000 0.219 469 G HA3 -0.027 3.932 3.960 -0.000 0.000 0.219 469 G C -0.180 174.562 174.900 -0.263 0.000 1.125 469 G CA 0.896 45.741 45.100 -0.424 0.000 0.775 469 G HN 0.700 nan 8.290 nan 0.000 0.548 470 K N -0.786 119.472 120.400 -0.236 0.000 2.575 470 K HA 0.504 4.824 4.320 -0.000 0.000 0.279 470 K C -1.044 175.686 176.600 0.218 0.000 0.969 470 K CA -0.678 55.602 56.287 -0.012 0.000 0.868 470 K CB 1.131 33.582 32.500 -0.082 0.000 1.457 470 K HN 0.057 nan 8.250 nan 0.000 0.426 471 S N 0.248 116.081 115.700 0.221 0.000 2.786 471 S HA 0.448 4.918 4.470 -0.000 0.000 0.307 471 S C 0.971 175.712 174.600 0.234 0.000 1.121 471 S CA -0.829 57.528 58.200 0.261 0.000 0.975 471 S CB 0.507 63.888 63.200 0.302 0.000 1.220 471 S HN 0.518 nan 8.310 nan 0.000 0.550 472 I N 1.267 121.961 120.570 0.206 0.000 2.277 472 I HA 0.011 4.181 4.170 -0.000 0.000 0.243 472 I C 1.718 177.951 176.117 0.195 0.000 1.094 472 I CA 1.020 62.418 61.300 0.163 0.000 1.393 472 I CB -0.664 37.401 38.000 0.107 0.000 1.078 472 I HN 0.591 nan 8.210 nan 0.000 0.417 473 N N -0.418 118.461 118.700 0.299 0.000 2.383 473 N HA 0.143 4.883 4.740 -0.000 0.000 0.192 473 N C -0.162 175.561 175.510 0.357 0.000 1.141 473 N CA 0.292 53.535 53.050 0.320 0.000 0.851 473 N CB 0.715 39.430 38.487 0.379 0.000 0.976 473 N HN 0.237 nan 8.380 nan 0.000 0.465 474 F N 0.000 120.021 119.950 0.119 0.000 2.286 474 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 474 F CA 0.000 57.980 58.000 -0.033 0.000 1.383 474 F CB 0.000 38.802 39.000 -0.329 0.000 1.145 474 F HN 0.000 nan 8.300 nan 0.000 0.574