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 3ihp_1_A DATA FIRST_RESID 1 DATA SEQUENCE MAELSEEALL SVLPTIRVPK AGDRVHKDEC AFSFDTPESE GGLYICMNTF DATA SEQUENCE LGFGKQYVER HFNKTGQRVY LHLRRTXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXDEDV KIVILPDYLE IARDGLGGLP DIVRDRVTSA DATA SEQUENCE VEALLSXXXX XXXXXXXXXX XXVRQVSKHA FSLKQLDNPA RIPPcGWKCS DATA SEQUENCE KCDMRENLWL NLTDGSILCG RRYXDGSGGN NHAVEHYRET GYPLAVKLGT DATA SEQUENCE ITPDGADVYS YDEDDMVLDP SLAEHLSHFG IDMXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXPL FGPGYTGIRN LGNSCYLNSV VQVLFSIPDF DATA SEQUENCE QRKYVDKLEK IFQNAPTDPT QDFSTQVAKL GHGLLSGEXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXD GIAPRMFKAL IGKGHPEFST NRQQDAQEFF LHLINMVERN DATA SEQUENCE CRSSENPNEV FRFLVEEKIK CLATEKVKYT QRVDYIMQLP VPMDAALNKE DATA SEQUENCE ELLEYEEKKR QAEEEKMALP ELVRAQVPFS SCLEAYGAPE QVDDFWSTAL DATA SEQUENCE QAKSVAVKTT RFASFPDYLV IQIKKFTFGL DWVPKKLDVS IEMPEELDIS DATA SEQUENCE QLRGTGLQPG EEELPDIXXX XXXXXXXXXX XXXESVIIQL VEMGFPMDAC DATA SEQUENCE RKAVYYTGNS GAEAAMNWVM SHMDDPDFAN PLILXXXXXX XXXXXXXPPP DATA SEQUENCE EDCVTTIVSM GFSRDQALKA LRATNNSLER AVDWIFSHID DLDAEAAMDX DATA SEQUENCE XXXXXXXXXX XXXXXXXXPK VRDGPGKYQL FAFISHMGTS TMcGHYVCHI DATA SEQUENCE KKEGRWVIYN DQKVCASEKP PKDLGYIYFY QRVA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.306 176.300 0.010 0.000 1.140 1 M CA 0.000 55.305 55.300 0.008 0.000 0.988 1 M CB 0.000 32.605 32.600 0.008 0.000 1.302 2 A N 2.152 124.979 122.820 0.011 0.000 2.366 2 A HA 0.502 4.822 4.320 -0.000 0.000 0.249 2 A C 0.069 177.662 177.584 0.015 0.000 1.084 2 A CA -0.282 51.763 52.037 0.013 0.000 0.794 2 A CB 0.333 19.341 19.000 0.013 0.000 1.034 2 A HN 0.752 nan 8.150 nan 0.000 0.491 3 E N 1.247 121.457 120.200 0.017 0.000 2.351 3 E HA 0.208 4.558 4.350 -0.000 0.000 0.266 3 E C -0.648 175.964 176.600 0.019 0.000 1.031 3 E CA -0.079 56.332 56.400 0.019 0.000 0.911 3 E CB 0.177 29.889 29.700 0.021 0.000 0.986 3 E HN 0.529 nan 8.360 nan 0.000 0.446 4 L N 3.495 124.730 121.223 0.019 0.000 2.464 4 L HA 0.009 4.349 4.340 -0.000 0.000 0.264 4 L C 1.692 178.575 176.870 0.023 0.000 1.199 4 L CA -0.262 54.590 54.840 0.020 0.000 0.818 4 L CB 1.097 43.167 42.059 0.018 0.000 1.102 4 L HN 0.683 nan 8.230 nan 0.000 0.473 5 S N 0.366 116.080 115.700 0.024 0.000 2.359 5 S HA -0.174 4.296 4.470 -0.000 0.000 0.224 5 S C 1.639 176.255 174.600 0.027 0.000 1.035 5 S CA 1.539 59.755 58.200 0.028 0.000 1.018 5 S CB -0.260 62.958 63.200 0.030 0.000 0.876 5 S HN 0.793 nan 8.310 nan 0.000 0.448 6 E N 2.192 122.406 120.200 0.023 0.000 2.038 6 E HA -0.245 4.105 4.350 -0.000 0.000 0.195 6 E C 1.720 178.332 176.600 0.021 0.000 1.000 6 E CA 1.310 57.724 56.400 0.022 0.000 0.803 6 E CB -0.738 28.973 29.700 0.019 0.000 0.750 6 E HN 0.602 nan 8.360 nan 0.000 0.448 7 E N 1.320 121.532 120.200 0.020 0.000 2.065 7 E HA -0.215 4.135 4.350 -0.000 0.000 0.201 7 E C 2.177 178.790 176.600 0.022 0.000 1.016 7 E CA 1.862 58.273 56.400 0.019 0.000 0.818 7 E CB -0.277 29.434 29.700 0.019 0.000 0.749 7 E HN 0.447 nan 8.360 nan 0.000 0.453 8 A N 0.674 123.509 122.820 0.025 0.000 1.933 8 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 8 A C 2.125 179.727 177.584 0.029 0.000 1.175 8 A CA 1.045 53.100 52.037 0.029 0.000 0.628 8 A CB -0.475 18.544 19.000 0.031 0.000 0.814 8 A HN 0.208 nan 8.150 nan 0.000 0.444 9 L N -0.067 121.173 121.223 0.028 0.000 2.005 9 L HA -0.080 4.260 4.340 -0.000 0.000 0.207 9 L C 2.346 179.230 176.870 0.023 0.000 1.072 9 L CA 1.670 56.527 54.840 0.028 0.000 0.744 9 L CB -0.576 41.501 42.059 0.030 0.000 0.895 9 L HN 0.409 nan 8.230 nan 0.000 0.433 10 L N -0.572 120.664 121.223 0.021 0.000 2.081 10 L HA -0.252 4.087 4.340 -0.000 0.000 0.212 10 L C 2.646 179.526 176.870 0.016 0.000 1.080 10 L CA 1.685 56.535 54.840 0.018 0.000 0.754 10 L CB -0.978 41.091 42.059 0.016 0.000 0.893 10 L HN 0.565 nan 8.230 nan 0.000 0.433 11 S N -0.325 115.385 115.700 0.017 0.000 2.453 11 S HA -0.060 4.410 4.470 -0.000 0.000 0.231 11 S C 1.327 175.935 174.600 0.013 0.000 1.005 11 S CA 0.826 59.035 58.200 0.016 0.000 0.949 11 S CB -0.123 63.089 63.200 0.019 0.000 0.774 11 S HN 0.321 nan 8.310 nan 0.000 0.510 12 V N -1.398 118.524 119.914 0.015 0.000 3.159 12 V HA 0.480 4.600 4.120 -0.000 0.000 0.333 12 V C 1.446 177.544 176.094 0.006 0.000 1.424 12 V CA -0.288 62.017 62.300 0.008 0.000 1.125 12 V CB -0.317 31.512 31.823 0.010 0.000 1.075 12 V HN 0.277 nan 8.190 nan 0.000 0.482 13 L N 1.792 123.022 121.223 0.011 0.000 2.021 13 L HA -0.024 4.316 4.340 -0.000 0.000 0.215 13 L C -0.117 176.760 176.870 0.012 0.000 1.074 13 L CA 2.759 57.608 54.840 0.015 0.000 0.760 13 L CB -1.239 40.830 42.059 0.016 0.000 0.889 13 L HN 0.307 nan 8.230 nan 0.000 0.433 14 P HA -0.119 nan 4.420 nan 0.000 0.221 14 P C 1.298 178.597 177.300 -0.000 0.000 1.145 14 P CA 1.775 64.877 63.100 0.005 0.000 0.795 14 P CB -0.374 31.326 31.700 -0.001 0.000 0.775 15 T N -4.123 110.426 114.554 -0.008 0.000 3.148 15 T HA 0.111 4.461 4.350 -0.000 0.000 0.253 15 T C 0.642 175.335 174.700 -0.012 0.000 1.134 15 T CA 0.066 62.153 62.100 -0.023 0.000 1.051 15 T CB -0.917 67.925 68.868 -0.042 0.000 0.959 15 T HN -0.019 nan 8.240 nan 0.000 0.525 16 I N 2.749 123.328 120.570 0.015 0.000 2.281 16 I HA 0.313 4.483 4.170 -0.000 0.000 0.293 16 I C 0.472 176.637 176.117 0.080 0.000 1.085 16 I CA -0.647 60.682 61.300 0.049 0.000 1.257 16 I CB 0.501 38.531 38.000 0.050 0.000 1.430 16 I HN -0.033 nan 8.210 nan 0.000 0.489 17 R N 4.652 125.228 120.500 0.127 0.000 2.486 17 R HA 0.512 4.852 4.340 -0.000 0.000 0.286 17 R C -0.746 175.740 176.300 0.309 0.000 0.999 17 R CA -0.752 55.462 56.100 0.191 0.000 0.993 17 R CB 2.607 32.993 30.300 0.145 0.000 1.084 17 R HN 0.346 nan 8.270 nan 0.000 0.487 18 V N 4.870 124.915 119.914 0.218 0.000 2.370 18 V HA 0.341 4.460 4.120 -0.000 0.000 0.283 18 V C -2.192 173.938 176.094 0.060 0.000 1.023 18 V CA -2.326 60.043 62.300 0.114 0.000 0.857 18 V CB 1.597 33.450 31.823 0.049 0.000 0.985 18 V HN 0.592 nan 8.190 nan 0.000 0.443 19 P HA 0.277 nan 4.420 nan 0.000 0.269 19 P C -0.962 176.245 177.300 -0.155 0.000 1.217 19 P CA 0.052 62.891 63.100 -0.435 0.000 0.783 19 P CB 0.438 31.661 31.700 -0.794 0.000 0.898 20 K N 0.010 120.353 120.400 -0.095 0.000 2.409 20 K HA 0.626 4.946 4.320 -0.000 0.000 0.252 20 K C 1.095 177.667 176.600 -0.047 0.000 1.036 20 K CA -0.749 55.514 56.287 -0.040 0.000 0.871 20 K CB 1.146 33.653 32.500 0.012 0.000 1.374 20 K HN 0.211 nan 8.250 nan 0.000 0.459 21 A N 0.510 123.313 122.820 -0.028 0.000 1.892 21 A HA -0.104 4.215 4.320 -0.000 0.000 0.218 21 A C 1.533 179.106 177.584 -0.018 0.000 1.188 21 A CA 2.121 54.142 52.037 -0.026 0.000 0.631 21 A CB -1.134 17.857 19.000 -0.014 0.000 0.822 21 A HN 0.764 nan 8.150 nan 0.000 0.447 22 G N -0.293 108.507 108.800 -0.000 0.000 3.452 22 G HA2 0.389 4.349 3.960 -0.000 0.000 0.258 22 G HA3 0.389 4.349 3.960 -0.000 0.000 0.258 22 G C -0.853 174.062 174.900 0.025 0.000 1.305 22 G CA -0.038 45.069 45.100 0.011 0.000 1.514 22 G HN 0.285 nan 8.290 nan 0.000 0.593 23 D N -0.227 120.178 120.400 0.008 0.000 2.629 23 D HA 0.522 5.162 4.640 -0.000 0.000 0.250 23 D C 0.505 176.803 176.300 -0.003 0.000 1.126 23 D CA -0.339 53.686 54.000 0.041 0.000 0.852 23 D CB 1.124 41.960 40.800 0.060 0.000 1.335 23 D HN 0.263 nan 8.370 nan 0.000 0.518 24 R N 1.082 121.596 120.500 0.023 0.000 2.296 24 R HA 0.493 4.833 4.340 -0.000 0.000 0.323 24 R C -0.228 176.052 176.300 -0.033 0.000 1.067 24 R CA -0.509 55.544 56.100 -0.077 0.000 0.946 24 R CB 0.440 30.663 30.300 -0.128 0.000 0.991 24 R HN 0.337 nan 8.270 nan 0.000 0.448 25 V N 4.941 124.784 119.914 -0.119 0.000 2.313 25 V HA 0.309 4.429 4.120 -0.000 0.000 0.278 25 V C -0.364 175.669 176.094 -0.102 0.000 1.017 25 V CA -0.790 61.487 62.300 -0.038 0.000 0.823 25 V CB 1.054 32.802 31.823 -0.124 0.000 1.010 25 V HN 0.949 nan 8.190 nan 0.000 0.443 26 H N 6.111 125.186 119.070 0.008 0.000 3.224 26 H HA 0.162 4.718 4.556 -0.000 0.000 0.265 26 H C 0.616 175.908 175.328 -0.060 0.000 1.461 26 H CA 0.267 56.281 56.048 -0.057 0.000 1.509 26 H CB 0.802 30.483 29.762 -0.135 0.000 1.686 26 H HN 0.750 nan 8.280 nan 0.000 0.514 27 K N 2.179 122.590 120.400 0.018 0.000 2.380 27 K HA 0.009 4.329 4.320 -0.000 0.000 0.198 27 K C 1.397 177.995 176.600 -0.003 0.000 1.070 27 K CA 0.806 57.094 56.287 0.003 0.000 1.040 27 K CB 0.763 33.250 32.500 -0.021 0.000 0.903 27 K HN 0.579 nan 8.250 nan 0.000 0.549 28 D N 0.504 120.907 120.400 0.005 0.000 2.422 28 D HA 0.043 4.683 4.640 -0.000 0.000 0.218 28 D C 0.159 176.473 176.300 0.024 0.000 1.047 28 D CA 0.146 54.152 54.000 0.010 0.000 0.885 28 D CB 0.457 41.264 40.800 0.011 0.000 1.035 28 D HN 0.313 nan 8.370 nan 0.000 0.502 29 E N -1.149 119.064 120.200 0.021 0.000 2.343 29 E HA 0.421 4.771 4.350 -0.000 0.000 0.278 29 E C -1.199 175.357 176.600 -0.074 0.000 0.910 29 E CA -0.743 55.663 56.400 0.010 0.000 0.757 29 E CB 2.232 31.960 29.700 0.047 0.000 1.218 29 E HN 0.336 nan 8.360 nan 0.000 0.435 30 C N 3.228 122.472 119.300 -0.094 0.000 2.676 30 C HA 0.510 4.970 4.460 -0.000 0.000 0.416 30 C C 1.842 176.605 174.990 -0.379 0.000 1.299 30 C CA 0.534 59.432 59.018 -0.199 0.000 2.048 30 C CB -0.180 27.513 27.740 -0.078 0.000 2.713 30 C HN 0.865 nan 8.230 nan 0.000 0.624 31 A N 3.331 125.795 122.820 -0.592 0.000 1.898 31 A HA 0.040 4.360 4.320 -0.000 0.000 0.216 31 A C 1.554 178.656 177.584 -0.804 0.000 1.181 31 A CA 1.493 53.070 52.037 -0.767 0.000 0.620 31 A CB -0.511 17.871 19.000 -1.030 0.000 0.819 31 A HN 0.878 nan 8.150 nan 0.000 0.442 32 F N 0.183 119.763 119.950 -0.616 0.000 2.619 32 F HA 0.142 4.668 4.527 -0.000 0.000 0.293 32 F C 1.589 176.904 175.800 -0.809 0.000 1.119 32 F CA 0.710 58.135 58.000 -0.958 0.000 1.445 32 F CB 0.039 38.202 39.000 -1.396 0.000 1.119 32 F HN 0.278 nan 8.300 nan 0.000 0.573 33 S N -1.954 113.414 115.700 -0.553 0.000 2.851 33 S HA 0.423 4.893 4.470 -0.000 0.000 0.317 33 S C -0.186 174.175 174.600 -0.399 0.000 1.144 33 S CA -0.597 57.372 58.200 -0.384 0.000 0.862 33 S CB 0.543 63.664 63.200 -0.132 0.000 1.259 33 S HN -0.013 nan 8.310 nan 0.000 0.564 34 F N 1.075 121.047 119.950 0.037 0.000 2.645 34 F HA 0.347 4.873 4.527 -0.000 0.000 0.300 34 F C 0.192 176.023 175.800 0.052 0.000 1.115 34 F CA -0.611 57.409 58.000 0.033 0.000 1.355 34 F CB -0.040 38.984 39.000 0.040 0.000 1.026 34 F HN 0.388 nan 8.300 nan 0.000 0.536 35 D N 0.507 121.015 120.400 0.180 0.000 2.400 35 D HA 0.193 4.832 4.640 -0.000 0.000 0.238 35 D C 0.335 176.705 176.300 0.117 0.000 1.157 35 D CA 0.861 54.963 54.000 0.170 0.000 0.889 35 D CB 0.938 41.864 40.800 0.211 0.000 1.199 35 D HN -0.026 nan 8.370 nan 0.000 0.436 36 T N 0.881 115.494 114.554 0.100 0.000 2.868 36 T HA 0.286 4.636 4.350 -0.000 0.000 0.306 36 T C -1.985 172.734 174.700 0.033 0.000 1.224 36 T CA -1.162 60.974 62.100 0.061 0.000 1.012 36 T CB 1.980 70.888 68.868 0.066 0.000 1.221 36 T HN -0.007 nan 8.240 nan 0.000 0.499 37 P HA -0.112 nan 4.420 nan 0.000 0.217 37 P C 0.951 178.241 177.300 -0.018 0.000 1.148 37 P CA 1.286 64.358 63.100 -0.046 0.000 0.834 37 P CB 0.236 31.906 31.700 -0.051 0.000 0.783 38 E N -1.069 119.137 120.200 0.010 0.000 2.418 38 E HA 0.007 4.357 4.350 -0.000 0.000 0.197 38 E C 0.273 176.896 176.600 0.039 0.000 1.026 38 E CA 0.132 56.545 56.400 0.021 0.000 0.862 38 E CB -0.128 29.586 29.700 0.023 0.000 0.799 38 E HN 0.251 nan 8.360 nan 0.000 0.518 39 S N 2.466 118.199 115.700 0.055 0.000 2.562 39 S HA -0.019 4.451 4.470 -0.000 0.000 0.281 39 S C 0.144 174.790 174.600 0.077 0.000 1.333 39 S CA -0.494 57.753 58.200 0.078 0.000 1.052 39 S CB 0.628 63.896 63.200 0.113 0.000 0.884 39 S HN 0.203 nan 8.310 nan 0.000 0.506 40 E N 1.410 121.656 120.200 0.077 0.000 2.502 40 E HA 0.116 4.466 4.350 -0.000 0.000 0.261 40 E C 1.066 177.734 176.600 0.113 0.000 0.974 40 E CA 0.713 57.161 56.400 0.079 0.000 0.936 40 E CB -0.272 29.465 29.700 0.062 0.000 0.926 40 E HN 0.946 nan 8.360 nan 0.000 0.459 41 G N 2.110 110.992 108.800 0.137 0.000 2.268 41 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.240 41 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.240 41 G C 0.893 175.983 174.900 0.316 0.000 1.010 41 G CA 0.591 45.820 45.100 0.214 0.000 0.618 41 G HN 1.737 nan 8.290 nan 0.000 0.516 42 G N -0.970 107.925 108.800 0.157 0.000 2.553 42 G HA2 0.169 4.129 3.960 -0.000 0.000 0.242 42 G HA3 0.169 4.129 3.960 -0.000 0.000 0.242 42 G C -0.450 174.410 174.900 -0.065 0.000 1.277 42 G CA 0.313 45.378 45.100 -0.058 0.000 0.910 42 G HN 1.743 nan 8.290 nan 0.000 0.576 43 L N -0.827 120.205 121.223 -0.318 0.000 2.436 43 L HA 0.751 5.091 4.340 -0.000 0.000 0.268 43 L C -1.118 175.665 176.870 -0.144 0.000 0.974 43 L CA -0.850 53.943 54.840 -0.079 0.000 0.826 43 L CB 1.963 43.999 42.059 -0.039 0.000 1.291 43 L HN 0.622 nan 8.230 nan 0.000 0.406 44 Y N 5.257 125.653 120.300 0.159 0.000 2.353 44 Y HA 0.535 5.085 4.550 -0.000 0.000 0.340 44 Y C -0.054 176.038 175.900 0.321 0.000 0.972 44 Y CA -0.385 57.869 58.100 0.257 0.000 1.157 44 Y CB 1.098 39.662 38.460 0.173 0.000 1.157 44 Y HN 0.349 nan 8.280 nan 0.000 0.495 45 I N 4.132 124.957 120.570 0.425 0.000 2.307 45 I HA 0.146 4.316 4.170 -0.000 0.000 0.289 45 I C 0.046 176.452 176.117 0.481 0.000 1.021 45 I CA -0.610 60.909 61.300 0.366 0.000 1.224 45 I CB 0.607 38.739 38.000 0.220 0.000 1.376 45 I HN 0.662 nan 8.210 nan 0.000 0.470 46 C N 7.230 126.844 119.300 0.524 0.000 2.590 46 C HA 0.077 4.537 4.460 -0.000 0.000 0.411 46 C C 1.516 176.602 174.990 0.160 0.000 1.420 46 C CA -0.155 59.019 59.018 0.260 0.000 1.643 46 C CB -0.397 27.515 27.740 0.286 0.000 2.528 46 C HN 0.895 nan 8.230 nan 0.000 0.606 47 M N 4.450 124.078 119.600 0.046 0.000 2.568 47 M HA 0.071 4.551 4.480 -0.000 0.000 0.226 47 M C 1.446 177.784 176.300 0.064 0.000 1.148 47 M CA 0.330 55.716 55.300 0.143 0.000 1.007 47 M CB -0.533 32.128 32.600 0.102 0.000 1.651 47 M HN 0.906 nan 8.290 nan 0.000 0.488 48 N N -0.131 118.522 118.700 -0.079 0.000 2.508 48 N HA -0.036 4.704 4.740 -0.000 0.000 0.186 48 N C 1.601 176.793 175.510 -0.530 0.000 1.034 48 N CA 1.434 54.364 53.050 -0.201 0.000 0.885 48 N CB 0.421 38.845 38.487 -0.105 0.000 1.135 48 N HN 0.217 nan 8.380 nan 0.000 0.435 49 T N -3.356 110.953 114.554 -0.409 0.000 3.001 49 T HA 0.192 4.542 4.350 -0.000 0.000 0.251 49 T C -0.072 174.341 174.700 -0.478 0.000 1.040 49 T CA -0.085 61.743 62.100 -0.454 0.000 0.985 49 T CB -0.216 68.619 68.868 -0.056 0.000 1.011 49 T HN 0.107 nan 8.240 nan 0.000 0.509 50 F N -0.118 119.887 119.950 0.092 0.000 2.988 50 F HA -0.147 4.380 4.527 -0.000 0.000 0.287 50 F C 0.113 175.959 175.800 0.076 0.000 0.781 50 F CA -0.795 57.251 58.000 0.076 0.000 1.221 50 F CB -2.739 36.291 39.000 0.051 0.000 1.392 50 F HN 0.279 nan 8.300 nan 0.000 0.425 51 L N 0.073 121.363 121.223 0.112 0.000 2.395 51 L HA 0.664 5.004 4.340 -0.000 0.000 0.269 51 L C 1.195 177.871 176.870 -0.324 0.000 1.133 51 L CA 0.080 54.826 54.840 -0.157 0.000 0.812 51 L CB 0.887 42.745 42.059 -0.334 0.000 1.125 51 L HN 0.252 nan 8.230 nan 0.000 0.452 52 G N 1.382 109.848 108.800 -0.556 0.000 2.389 52 G HA2 0.686 4.646 3.960 -0.000 0.000 0.328 52 G HA3 0.686 4.646 3.960 -0.000 0.000 0.328 52 G C -1.305 173.059 174.900 -0.892 0.000 1.133 52 G CA -0.237 44.604 45.100 -0.432 0.000 0.891 52 G HN 0.324 nan 8.290 nan 0.000 0.485 53 F N 0.306 120.321 119.950 0.107 0.000 2.588 53 F HA 0.505 5.032 4.527 -0.000 0.000 0.318 53 F C 0.789 176.759 175.800 0.283 0.000 1.155 53 F CA -0.859 57.234 58.000 0.156 0.000 0.967 53 F CB 1.872 40.959 39.000 0.144 0.000 1.236 53 F HN 0.760 nan 8.300 nan 0.000 0.455 54 G N 0.632 109.707 108.800 0.459 0.000 2.699 54 G HA2 0.378 4.338 3.960 -0.000 0.000 0.246 54 G HA3 0.378 4.338 3.960 -0.000 0.000 0.246 54 G C 0.869 176.056 174.900 0.478 0.000 1.219 54 G CA 0.081 45.461 45.100 0.467 0.000 0.866 54 G HN 0.900 nan 8.290 nan 0.000 0.572 55 K N -0.679 119.975 120.400 0.423 0.000 2.152 55 K HA -0.105 4.215 4.320 -0.000 0.000 0.206 55 K C 2.186 178.812 176.600 0.044 0.000 1.048 55 K CA 2.016 58.491 56.287 0.313 0.000 0.933 55 K CB -0.542 32.140 32.500 0.304 0.000 0.721 55 K HN 0.480 nan 8.250 nan 0.000 0.447 56 Q N -1.515 118.256 119.800 -0.048 0.000 2.472 56 Q HA 0.080 4.420 4.340 -0.000 0.000 0.208 56 Q C 0.703 176.378 176.000 -0.542 0.000 0.958 56 Q CA 0.884 56.465 55.803 -0.369 0.000 0.932 56 Q CB 0.096 28.490 28.738 -0.574 0.000 1.007 56 Q HN 0.863 nan 8.270 nan 0.000 0.508 57 Y N -1.926 118.398 120.300 0.040 0.000 2.452 57 Y HA 0.043 4.593 4.550 -0.000 0.000 0.262 57 Y C 2.027 177.896 175.900 -0.052 0.000 1.089 57 Y CA -0.147 57.970 58.100 0.028 0.000 1.262 57 Y CB 0.156 38.746 38.460 0.216 0.000 1.236 57 Y HN -0.161 nan 8.280 nan 0.000 0.512 58 V N 0.077 119.980 119.914 -0.019 0.000 2.380 58 V HA -0.318 3.802 4.120 -0.000 0.000 0.251 58 V C 2.011 177.921 176.094 -0.307 0.000 1.063 58 V CA 2.300 64.391 62.300 -0.347 0.000 1.055 58 V CB -0.588 30.763 31.823 -0.787 0.000 0.657 58 V HN 0.334 nan 8.190 nan 0.000 0.455 59 E N -0.077 120.008 120.200 -0.191 0.000 2.204 59 E HA -0.216 4.134 4.350 -0.000 0.000 0.195 59 E C 2.429 179.035 176.600 0.011 0.000 0.990 59 E CA 0.950 57.305 56.400 -0.075 0.000 0.821 59 E CB -0.098 29.563 29.700 -0.065 0.000 0.750 59 E HN 0.502 nan 8.360 nan 0.000 0.477 60 R N -0.692 119.774 120.500 -0.057 0.000 2.081 60 R HA -0.145 4.195 4.340 -0.000 0.000 0.235 60 R C 2.473 178.755 176.300 -0.030 0.000 1.131 60 R CA 1.567 57.631 56.100 -0.060 0.000 0.960 60 R CB -0.209 29.994 30.300 -0.162 0.000 0.856 60 R HN 0.337 nan 8.270 nan 0.000 0.436 61 H N -0.835 118.088 119.070 -0.245 0.000 2.357 61 H HA -0.161 4.395 4.556 -0.000 0.000 0.301 61 H C 1.874 177.179 175.328 -0.039 0.000 1.082 61 H CA 1.817 57.709 56.048 -0.260 0.000 1.342 61 H CB -0.064 29.253 29.762 -0.741 0.000 1.389 61 H HN 0.165 nan 8.280 nan 0.000 0.511 62 F N 2.004 121.920 119.950 -0.057 0.000 2.025 62 F HA -0.288 4.239 4.527 -0.000 0.000 0.297 62 F C 2.098 177.845 175.800 -0.087 0.000 1.132 62 F CA 2.389 60.371 58.000 -0.030 0.000 1.191 62 F CB -0.786 38.190 39.000 -0.040 0.000 0.963 62 F HN 0.167 nan 8.300 nan 0.000 0.481 63 N N -0.239 118.382 118.700 -0.130 0.000 2.166 63 N HA -0.183 4.556 4.740 -0.000 0.000 0.186 63 N C 1.659 177.033 175.510 -0.227 0.000 1.019 63 N CA 1.534 54.454 53.050 -0.217 0.000 0.856 63 N CB -0.177 38.300 38.487 -0.016 0.000 0.993 63 N HN 0.328 nan 8.380 nan 0.000 0.426 64 K N -0.702 119.595 120.400 -0.172 0.000 2.167 64 K HA 0.062 4.381 4.320 -0.000 0.000 0.203 64 K C 1.311 177.787 176.600 -0.206 0.000 1.052 64 K CA 0.979 57.181 56.287 -0.143 0.000 0.956 64 K CB 0.283 32.744 32.500 -0.065 0.000 0.735 64 K HN 0.065 nan 8.250 nan 0.000 0.451 65 T N -2.101 112.262 114.554 -0.318 0.000 2.964 65 T HA 0.149 4.499 4.350 -0.000 0.000 0.249 65 T C 0.946 175.462 174.700 -0.306 0.000 1.000 65 T CA 0.585 62.481 62.100 -0.341 0.000 0.992 65 T CB 0.960 69.471 68.868 -0.596 0.000 1.087 65 T HN 0.402 nan 8.240 nan 0.000 0.489 66 G N 1.640 110.207 108.800 -0.389 0.000 2.217 66 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.246 66 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.246 66 G C 0.182 174.941 174.900 -0.235 0.000 0.990 66 G CA 0.287 45.164 45.100 -0.373 0.000 0.627 66 G HN 0.574 nan 8.290 nan 0.000 0.522 67 Q N 1.133 120.831 119.800 -0.170 0.000 2.255 67 Q HA 0.521 4.861 4.340 -0.000 0.000 0.280 67 Q C 1.531 177.613 176.000 0.136 0.000 1.068 67 Q CA 0.658 56.420 55.803 -0.069 0.000 0.911 67 Q CB 0.313 28.994 28.738 -0.095 0.000 1.157 67 Q HN 0.595 nan 8.270 nan 0.000 0.380 68 R N 2.379 122.935 120.500 0.094 0.000 2.206 68 R HA 0.204 4.544 4.340 -0.000 0.000 0.198 68 R C -0.201 176.149 176.300 0.083 0.000 0.986 68 R CA 0.209 56.451 56.100 0.236 0.000 1.029 68 R CB 0.668 31.081 30.300 0.190 0.000 0.966 68 R HN 0.338 nan 8.270 nan 0.000 0.487 69 V N 2.045 121.867 119.914 -0.153 0.000 2.370 69 V HA 0.271 4.391 4.120 -0.000 0.000 0.279 69 V C -0.997 174.927 176.094 -0.283 0.000 1.029 69 V CA -0.488 61.752 62.300 -0.100 0.000 0.870 69 V CB 0.633 32.435 31.823 -0.035 0.000 0.984 69 V HN 0.064 nan 8.190 nan 0.000 0.451 70 Y N 3.820 124.219 120.300 0.166 0.000 2.462 70 Y HA 0.602 5.152 4.550 -0.000 0.000 0.346 70 Y C -0.260 175.766 175.900 0.210 0.000 0.976 70 Y CA -1.009 57.234 58.100 0.237 0.000 1.044 70 Y CB 2.044 40.724 38.460 0.365 0.000 1.230 70 Y HN 0.504 nan 8.280 nan 0.000 0.455 71 L N 4.383 125.800 121.223 0.324 0.000 2.260 71 L HA 0.293 4.633 4.340 -0.000 0.000 0.289 71 L C -0.478 176.511 176.870 0.198 0.000 1.057 71 L CA -0.045 54.925 54.840 0.218 0.000 0.811 71 L CB -0.010 42.137 42.059 0.146 0.000 1.184 71 L HN 0.643 nan 8.230 nan 0.000 0.429 72 H N 5.841 124.925 119.070 0.023 0.000 2.519 72 H HA 0.365 4.921 4.556 -0.000 0.000 0.316 72 H C -1.450 173.814 175.328 -0.107 0.000 1.065 72 H CA -0.736 55.213 56.048 -0.165 0.000 1.264 72 H CB 1.388 30.940 29.762 -0.350 0.000 1.413 72 H HN 0.455 nan 8.280 nan 0.000 0.465 73 L N 5.347 126.237 121.223 -0.555 0.000 2.317 73 L HA 0.458 4.798 4.340 -0.000 0.000 0.281 73 L C -0.004 176.586 176.870 -0.467 0.000 1.024 73 L CA -0.374 54.255 54.840 -0.353 0.000 0.810 73 L CB 1.482 43.427 42.059 -0.190 0.000 1.240 73 L HN 0.640 nan 8.230 nan 0.000 0.427 74 R N 2.963 123.340 120.500 -0.205 0.000 2.510 74 R HA 0.488 4.828 4.340 -0.000 0.000 0.294 74 R C -1.046 175.230 176.300 -0.041 0.000 1.056 74 R CA -0.643 55.393 56.100 -0.106 0.000 0.918 74 R CB 1.278 31.582 30.300 0.005 0.000 1.187 74 R HN 0.602 nan 8.270 nan 0.000 0.437 75 R N 1.971 122.453 120.500 -0.030 0.000 2.460 75 R HA 0.499 4.839 4.340 -0.000 0.000 0.303 75 R C -0.627 175.674 176.300 0.002 0.000 0.968 75 R CA -0.472 55.621 56.100 -0.012 0.000 0.889 75 R CB 2.340 32.633 30.300 -0.012 0.000 1.123 75 R HN 0.614 nan 8.270 nan 0.000 0.455 118 E N 1.308 121.508 120.200 -0.001 0.000 2.183 118 E HA 0.574 4.924 4.350 -0.000 0.000 0.271 118 E C -1.004 175.597 176.600 0.001 0.000 0.919 118 E CA -0.955 55.442 56.400 -0.005 0.000 0.781 118 E CB 2.329 32.021 29.700 -0.013 0.000 1.140 118 E HN 0.062 nan 8.360 nan 0.000 0.402 119 D N 3.112 123.515 120.400 0.005 0.000 2.440 119 D HA 0.263 4.902 4.640 -0.000 0.000 0.239 119 D C -1.175 175.143 176.300 0.030 0.000 1.084 119 D CA -0.794 53.219 54.000 0.021 0.000 0.843 119 D CB 1.653 42.473 40.800 0.033 0.000 1.097 119 D HN 0.442 nan 8.370 nan 0.000 0.531 120 V N 1.927 121.861 119.914 0.033 0.000 2.628 120 V HA 0.850 4.970 4.120 -0.000 0.000 0.306 120 V C -1.118 175.016 176.094 0.067 0.000 1.045 120 V CA -0.615 61.710 62.300 0.041 0.000 0.905 120 V CB 1.482 33.318 31.823 0.021 0.000 0.997 120 V HN 0.690 nan 8.190 nan 0.000 0.436 121 K N 4.414 124.872 120.400 0.097 0.000 2.568 121 K HA 0.624 4.944 4.320 -0.000 0.000 0.273 121 K C -1.624 175.049 176.600 0.120 0.000 0.951 121 K CA -0.967 55.377 56.287 0.096 0.000 0.854 121 K CB 2.290 34.842 32.500 0.087 0.000 1.424 121 K HN 0.650 nan 8.250 nan 0.000 0.427 122 I N 1.786 122.419 120.570 0.106 0.000 2.396 122 I HA 0.294 4.464 4.170 -0.000 0.000 0.292 122 I C -0.642 175.556 176.117 0.136 0.000 0.999 122 I CA -1.071 60.305 61.300 0.127 0.000 1.310 122 I CB 1.721 39.778 38.000 0.096 0.000 1.404 122 I HN 0.273 nan 8.210 nan 0.000 0.496 123 V N 7.358 127.387 119.914 0.192 0.000 2.577 123 V HA 0.438 4.558 4.120 -0.000 0.000 0.303 123 V C -0.325 175.869 176.094 0.166 0.000 1.042 123 V CA -0.522 61.886 62.300 0.179 0.000 0.872 123 V CB 1.965 33.939 31.823 0.252 0.000 0.998 123 V HN 0.422 nan 8.190 nan 0.000 0.423 124 I N 5.208 125.820 120.570 0.069 0.000 2.377 124 I HA 0.454 4.624 4.170 -0.000 0.000 0.293 124 I C -0.367 175.682 176.117 -0.114 0.000 0.987 124 I CA -0.266 61.056 61.300 0.036 0.000 1.185 124 I CB 1.528 39.550 38.000 0.037 0.000 1.341 124 I HN 0.352 nan 8.210 nan 0.000 0.455 125 L N 8.604 129.734 121.223 -0.154 0.000 2.399 125 L HA 0.494 4.834 4.340 -0.000 0.000 0.265 125 L C -1.534 175.128 176.870 -0.348 0.000 1.089 125 L CA -1.252 53.301 54.840 -0.477 0.000 0.802 125 L CB 0.628 42.239 42.059 -0.747 0.000 1.180 125 L HN 0.418 nan 8.230 nan 0.000 0.454 126 P HA 0.056 nan 4.420 nan 0.000 0.257 126 P C -0.069 177.124 177.300 -0.179 0.000 1.241 126 P CA 0.420 63.179 63.100 -0.568 0.000 0.816 126 P CB 0.523 31.956 31.700 -0.445 0.000 1.150 127 D N -0.888 119.465 120.400 -0.078 0.000 2.339 127 D HA 0.024 4.664 4.640 -0.000 0.000 0.217 127 D C 0.012 176.422 176.300 0.185 0.000 1.050 127 D CA -0.160 53.879 54.000 0.065 0.000 0.856 127 D CB -0.557 40.260 40.800 0.030 0.000 0.922 127 D HN 0.142 nan 8.370 nan 0.000 0.518 128 Y N -0.121 120.139 120.300 -0.068 0.000 3.234 128 Y HA -0.237 4.313 4.550 -0.000 0.000 0.207 128 Y C -0.191 175.710 175.900 0.001 0.000 1.316 128 Y CA -0.481 57.603 58.100 -0.025 0.000 1.309 128 Y CB -1.600 36.837 38.460 -0.039 0.000 1.408 128 Y HN 0.013 nan 8.280 nan 0.000 0.544 129 L N 1.344 122.619 121.223 0.086 0.000 2.410 129 L HA 0.168 4.508 4.340 -0.000 0.000 0.273 129 L C 0.622 177.537 176.870 0.074 0.000 1.152 129 L CA -0.244 54.637 54.840 0.069 0.000 0.855 129 L CB 0.547 42.634 42.059 0.045 0.000 1.129 129 L HN 0.221 nan 8.230 nan 0.000 0.463 130 E N 4.088 124.328 120.200 0.067 0.000 2.166 130 E HA 0.565 4.915 4.350 -0.000 0.000 0.275 130 E C -0.906 175.726 176.600 0.053 0.000 0.941 130 E CA -0.356 56.082 56.400 0.064 0.000 0.784 130 E CB 1.907 31.639 29.700 0.053 0.000 1.115 130 E HN 0.391 nan 8.360 nan 0.000 0.399 131 I N 2.492 123.096 120.570 0.057 0.000 2.418 131 I HA 0.393 4.563 4.170 -0.000 0.000 0.287 131 I C 0.064 176.211 176.117 0.049 0.000 1.008 131 I CA -0.781 60.548 61.300 0.048 0.000 1.104 131 I CB 1.726 39.755 38.000 0.048 0.000 1.264 131 I HN 0.522 nan 8.210 nan 0.000 0.438 132 A N 5.960 128.804 122.820 0.041 0.000 2.346 132 A HA 0.383 4.703 4.320 -0.000 0.000 0.252 132 A C 1.281 178.887 177.584 0.037 0.000 1.089 132 A CA -0.192 51.868 52.037 0.039 0.000 0.797 132 A CB 0.353 19.372 19.000 0.032 0.000 1.047 132 A HN 0.862 nan 8.150 nan 0.000 0.494 133 R N 0.010 120.530 120.500 0.034 0.000 2.139 133 R HA -0.144 4.196 4.340 -0.000 0.000 0.243 133 R C -0.080 176.235 176.300 0.025 0.000 1.145 133 R CA 1.713 57.831 56.100 0.030 0.000 0.976 133 R CB -0.213 30.102 30.300 0.025 0.000 0.866 133 R HN 0.849 nan 8.270 nan 0.000 0.449 134 D N -1.149 119.265 120.400 0.023 0.000 2.491 134 D HA 0.061 4.701 4.640 -0.000 0.000 0.228 134 D C 0.794 177.106 176.300 0.020 0.000 1.183 134 D CA -0.063 53.948 54.000 0.019 0.000 0.827 134 D CB 0.332 41.142 40.800 0.016 0.000 0.989 134 D HN 0.171 nan 8.370 nan 0.000 0.494 135 G N 0.145 108.959 108.800 0.023 0.000 3.434 135 G HA2 0.105 4.065 3.960 -0.000 0.000 0.258 135 G HA3 0.105 4.065 3.960 -0.000 0.000 0.258 135 G C 0.724 175.638 174.900 0.023 0.000 1.128 135 G CA -0.232 44.882 45.100 0.023 0.000 0.792 135 G HN 0.172 nan 8.290 nan 0.000 0.539 136 L N 1.297 122.533 121.223 0.022 0.000 2.611 136 L HA 0.246 4.586 4.340 -0.000 0.000 0.229 136 L C 1.699 178.580 176.870 0.018 0.000 1.137 136 L CA -0.397 54.455 54.840 0.021 0.000 0.901 136 L CB -0.758 41.314 42.059 0.021 0.000 1.098 136 L HN 0.142 nan 8.230 nan 0.000 0.456 137 G N -0.584 108.226 108.800 0.016 0.000 2.391 137 G HA2 0.302 4.262 3.960 -0.000 0.000 0.234 137 G HA3 0.302 4.262 3.960 -0.000 0.000 0.234 137 G C 1.185 176.093 174.900 0.014 0.000 1.284 137 G CA 0.436 45.544 45.100 0.014 0.000 0.873 137 G HN 0.509 nan 8.290 nan 0.000 0.549 138 G N 0.645 109.452 108.800 0.012 0.000 2.284 138 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.261 138 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.261 138 G C 0.655 175.562 174.900 0.012 0.000 0.997 138 G CA 0.593 45.700 45.100 0.012 0.000 0.621 138 G HN 0.794 nan 8.290 nan 0.000 0.534 139 L N 1.550 122.781 121.223 0.014 0.000 2.464 139 L HA 0.372 4.712 4.340 -0.000 0.000 0.264 139 L C -1.422 175.456 176.870 0.013 0.000 1.199 139 L CA -1.877 52.972 54.840 0.014 0.000 0.818 139 L CB -0.081 41.987 42.059 0.017 0.000 1.102 139 L HN -0.050 nan 8.230 nan 0.000 0.473 140 P HA 0.007 nan 4.420 nan 0.000 0.269 140 P C -0.274 177.033 177.300 0.012 0.000 1.217 140 P CA -0.122 62.985 63.100 0.012 0.000 0.783 140 P CB 0.519 32.226 31.700 0.011 0.000 0.898 141 D N 0.758 121.165 120.400 0.011 0.000 2.117 141 D HA -0.150 4.490 4.640 -0.000 0.000 0.197 141 D C 1.572 177.879 176.300 0.012 0.000 0.987 141 D CA 1.043 55.050 54.000 0.011 0.000 0.829 141 D CB -0.629 40.177 40.800 0.010 0.000 0.961 141 D HN 0.340 nan 8.370 nan 0.000 0.460 142 I N 0.135 120.713 120.570 0.012 0.000 2.493 142 I HA -0.167 4.003 4.170 -0.000 0.000 0.254 142 I C 1.992 178.118 176.117 0.015 0.000 1.160 142 I CA 0.772 62.080 61.300 0.013 0.000 1.445 142 I CB -0.039 37.968 38.000 0.012 0.000 1.086 142 I HN -0.007 nan 8.210 nan 0.000 0.433 143 V N 0.595 120.518 119.914 0.016 0.000 2.407 143 V HA -0.123 3.997 4.120 -0.000 0.000 0.245 143 V C 2.571 178.677 176.094 0.020 0.000 1.041 143 V CA 1.440 63.751 62.300 0.018 0.000 1.040 143 V CB -0.650 31.184 31.823 0.018 0.000 0.671 143 V HN 0.438 nan 8.190 nan 0.000 0.455 144 R N 0.290 120.800 120.500 0.018 0.000 2.103 144 R HA -0.159 4.181 4.340 -0.000 0.000 0.242 144 R C 2.098 178.408 176.300 0.017 0.000 1.142 144 R CA 2.118 58.229 56.100 0.018 0.000 0.960 144 R CB -0.582 29.727 30.300 0.015 0.000 0.858 144 R HN 0.577 nan 8.270 nan 0.000 0.439 145 D N -0.191 120.218 120.400 0.016 0.000 2.144 145 D HA -0.100 4.539 4.640 -0.000 0.000 0.200 145 D C 1.983 178.293 176.300 0.017 0.000 0.978 145 D CA 0.761 54.770 54.000 0.015 0.000 0.833 145 D CB -0.126 40.681 40.800 0.013 0.000 0.961 145 D HN 0.046 nan 8.370 nan 0.000 0.470 146 R N 0.659 121.171 120.500 0.020 0.000 2.066 146 R HA -0.048 4.292 4.340 -0.000 0.000 0.232 146 R C 2.319 178.637 176.300 0.030 0.000 1.131 146 R CA 0.478 56.593 56.100 0.025 0.000 0.955 146 R CB -0.710 29.606 30.300 0.027 0.000 0.851 146 R HN 0.131 nan 8.270 nan 0.000 0.432 147 V N 0.696 120.627 119.914 0.029 0.000 2.358 147 V HA -0.213 3.906 4.120 -0.000 0.000 0.246 147 V C 2.350 178.462 176.094 0.030 0.000 1.047 147 V CA 2.315 64.635 62.300 0.034 0.000 1.035 147 V CB -0.737 31.106 31.823 0.033 0.000 0.658 147 V HN 0.494 nan 8.190 nan 0.000 0.452 148 T N -2.670 111.898 114.554 0.023 0.000 2.896 148 T HA -0.151 4.199 4.350 -0.000 0.000 0.263 148 T C 2.059 176.766 174.700 0.012 0.000 1.050 148 T CA 1.336 63.446 62.100 0.018 0.000 1.140 148 T CB -0.394 68.483 68.868 0.015 0.000 0.877 148 T HN 0.359 nan 8.240 nan 0.000 0.457 149 S N 1.684 117.391 115.700 0.012 0.000 2.365 149 S HA -0.144 4.326 4.470 -0.000 0.000 0.225 149 S C 2.451 177.051 174.600 0.001 0.000 1.039 149 S CA 1.533 59.736 58.200 0.005 0.000 1.033 149 S CB -0.928 62.278 63.200 0.010 0.000 0.887 149 S HN 0.673 nan 8.310 nan 0.000 0.447 150 A N 0.661 123.491 122.820 0.016 0.000 1.883 150 A HA -0.044 4.276 4.320 -0.000 0.000 0.217 150 A C 2.363 179.949 177.584 0.004 0.000 1.186 150 A CA 1.939 53.988 52.037 0.020 0.000 0.624 150 A CB -1.141 17.894 19.000 0.059 0.000 0.822 150 A HN 0.455 nan 8.150 nan 0.000 0.444 151 V N 0.166 120.090 119.914 0.017 0.000 2.287 151 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 151 V C 2.444 178.533 176.094 -0.009 0.000 1.053 151 V CA 2.386 64.695 62.300 0.014 0.000 1.027 151 V CB -0.953 30.884 31.823 0.025 0.000 0.646 151 V HN 0.645 nan 8.190 nan 0.000 0.447 152 E N 0.313 120.506 120.200 -0.012 0.000 2.077 152 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 152 E C 2.323 178.898 176.600 -0.042 0.000 0.989 152 E CA 1.324 57.712 56.400 -0.021 0.000 0.800 152 E CB -0.375 29.315 29.700 -0.016 0.000 0.746 152 E HN 0.595 nan 8.360 nan 0.000 0.452 153 A N 0.949 123.735 122.820 -0.055 0.000 1.978 153 A HA -0.159 4.161 4.320 -0.000 0.000 0.220 153 A C 2.144 179.647 177.584 -0.135 0.000 1.170 153 A CA 1.082 53.062 52.037 -0.094 0.000 0.636 153 A CB -0.486 18.449 19.000 -0.109 0.000 0.810 153 A HN 0.127 nan 8.150 nan 0.000 0.448 154 L N -0.744 120.408 121.223 -0.118 0.000 2.131 154 L HA -0.009 4.331 4.340 -0.000 0.000 0.206 154 L C 1.306 178.126 176.870 -0.083 0.000 1.087 154 L CA 0.559 55.322 54.840 -0.127 0.000 0.767 154 L CB -0.276 41.744 42.059 -0.064 0.000 0.917 154 L HN 0.316 nan 8.230 nan 0.000 0.441 155 L N -0.547 120.643 121.223 -0.055 0.000 2.801 155 L HA 0.097 4.437 4.340 -0.000 0.000 0.250 155 L C 0.171 177.013 176.870 -0.047 0.000 1.222 155 L CA -0.184 54.631 54.840 -0.042 0.000 1.054 155 L CB -0.995 41.048 42.059 -0.026 0.000 1.330 155 L HN 0.127 nan 8.230 nan 0.000 0.426 174 R N 2.306 122.815 120.500 0.014 0.000 2.368 174 R HA 0.784 5.124 4.340 -0.000 0.000 0.302 174 R C 0.172 176.477 176.300 0.009 0.000 1.002 174 R CA -0.137 55.969 56.100 0.010 0.000 0.929 174 R CB 1.526 31.834 30.300 0.014 0.000 1.073 174 R HN 0.832 nan 8.270 nan 0.000 0.464 175 Q N 1.654 121.455 119.800 0.002 0.000 2.180 175 Q HA 0.482 4.822 4.340 -0.000 0.000 0.241 175 Q C 0.252 176.251 176.000 -0.001 0.000 0.970 175 Q CA -0.819 54.987 55.803 0.006 0.000 0.919 175 Q CB 0.799 29.540 28.738 0.004 0.000 1.222 175 Q HN 0.650 nan 8.270 nan 0.000 0.482 176 V N -0.380 119.542 119.914 0.014 0.000 2.637 176 V HA 0.512 4.631 4.120 -0.000 0.000 0.296 176 V C 0.632 176.702 176.094 -0.040 0.000 1.046 176 V CA -0.168 62.131 62.300 -0.003 0.000 1.066 176 V CB 0.858 32.719 31.823 0.064 0.000 0.968 176 V HN 0.981 nan 8.190 nan 0.000 0.483 177 S N 3.692 119.335 115.700 -0.094 0.000 2.552 177 S HA 0.315 4.785 4.470 -0.000 0.000 0.289 177 S C 1.538 176.068 174.600 -0.117 0.000 1.304 177 S CA 0.255 58.399 58.200 -0.094 0.000 1.063 177 S CB 0.800 63.946 63.200 -0.089 0.000 0.848 177 S HN 1.470 nan 8.310 nan 0.000 0.499 178 K N 3.348 123.683 120.400 -0.108 0.000 2.360 178 K HA -0.105 4.215 4.320 -0.000 0.000 0.201 178 K C 1.343 177.740 176.600 -0.339 0.000 1.046 178 K CA 1.904 58.068 56.287 -0.206 0.000 0.940 178 K CB -0.812 31.517 32.500 -0.285 0.000 0.748 178 K HN 0.908 nan 8.250 nan 0.000 0.465 179 H N -1.757 117.257 119.070 -0.093 0.000 2.652 179 H HA 0.382 4.938 4.556 -0.000 0.000 0.274 179 H C 2.286 177.510 175.328 -0.174 0.000 1.021 179 H CA 0.510 56.504 56.048 -0.091 0.000 1.187 179 H CB 0.555 30.275 29.762 -0.070 0.000 1.505 179 H HN 0.505 nan 8.280 nan 0.000 0.530 180 A N 0.760 123.409 122.820 -0.285 0.000 2.019 180 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 180 A C 1.383 178.718 177.584 -0.415 0.000 1.164 180 A CA 1.290 53.052 52.037 -0.458 0.000 0.644 180 A CB -0.619 17.880 19.000 -0.836 0.000 0.805 180 A HN 0.176 nan 8.150 nan 0.000 0.449 181 F N -1.279 118.727 119.950 0.094 0.000 2.717 181 F HA 0.348 4.875 4.527 -0.000 0.000 0.295 181 F C 2.569 178.406 175.800 0.062 0.000 1.117 181 F CA 0.452 58.495 58.000 0.071 0.000 1.361 181 F CB -0.298 38.719 39.000 0.029 0.000 1.112 181 F HN 0.195 nan 8.300 nan 0.000 0.594 182 S N 0.484 116.287 115.700 0.173 0.000 2.575 182 S HA 0.244 4.714 4.470 -0.000 0.000 0.215 182 S C 0.736 175.391 174.600 0.091 0.000 0.966 182 S CA -0.116 58.159 58.200 0.125 0.000 0.911 182 S CB -0.390 62.873 63.200 0.105 0.000 0.780 182 S HN 0.141 nan 8.310 nan 0.000 0.514 183 L N 3.088 124.349 121.223 0.063 0.000 2.456 183 L HA 0.447 4.787 4.340 -0.000 0.000 0.277 183 L C 0.436 177.267 176.870 -0.064 0.000 1.124 183 L CA -0.060 54.762 54.840 -0.029 0.000 0.880 183 L CB 0.072 42.021 42.059 -0.184 0.000 1.192 183 L HN 0.209 nan 8.230 nan 0.000 0.463 184 K N 5.233 125.589 120.400 -0.073 0.000 2.349 184 K HA 0.319 4.639 4.320 -0.000 0.000 0.289 184 K C -0.185 176.293 176.600 -0.203 0.000 1.064 184 K CA -0.288 55.936 56.287 -0.105 0.000 0.947 184 K CB 0.008 32.465 32.500 -0.071 0.000 1.007 184 K HN 0.768 nan 8.250 nan 0.000 0.478 185 Q N 2.015 121.665 119.800 -0.250 0.000 2.314 185 Q HA 0.377 4.717 4.340 -0.000 0.000 0.259 185 Q C -0.283 175.561 176.000 -0.260 0.000 0.951 185 Q CA -0.598 54.980 55.803 -0.375 0.000 0.909 185 Q CB 1.268 29.547 28.738 -0.765 0.000 1.236 185 Q HN 0.655 nan 8.270 nan 0.000 0.444 186 L N 2.202 123.345 121.223 -0.134 0.000 2.483 186 L HA 0.036 4.376 4.340 -0.000 0.000 0.276 186 L C 0.349 177.300 176.870 0.134 0.000 1.213 186 L CA -0.085 54.752 54.840 -0.004 0.000 0.843 186 L CB 0.165 42.233 42.059 0.015 0.000 1.107 186 L HN 0.513 nan 8.230 nan 0.000 0.487 187 D N 1.744 122.200 120.400 0.093 0.000 2.361 187 D HA 0.001 4.641 4.640 -0.000 0.000 0.239 187 D C 0.299 176.642 176.300 0.072 0.000 1.200 187 D CA 0.099 54.154 54.000 0.092 0.000 0.915 187 D CB 0.178 41.010 40.800 0.053 0.000 1.170 187 D HN 0.433 nan 8.370 nan 0.000 0.444 188 N N 0.238 118.951 118.700 0.021 0.000 2.688 188 N HA -0.108 4.632 4.740 -0.000 0.000 0.258 188 N C -2.304 173.222 175.510 0.027 0.000 1.016 188 N CA 0.245 53.299 53.050 0.007 0.000 0.747 188 N CB -1.311 37.190 38.487 0.024 0.000 0.895 188 N HN 0.354 nan 8.380 nan 0.000 0.543 189 P HA 0.441 nan 4.420 nan 0.000 0.276 189 P C -0.148 177.213 177.300 0.102 0.000 1.252 189 P CA -0.472 62.679 63.100 0.085 0.000 0.802 189 P CB 0.765 32.443 31.700 -0.038 0.000 1.035 190 A N 1.444 124.377 122.820 0.190 0.000 2.313 190 A HA 0.356 4.676 4.320 -0.000 0.000 0.261 190 A C 0.387 178.071 177.584 0.166 0.000 1.090 190 A CA -0.557 51.565 52.037 0.143 0.000 0.807 190 A CB 0.183 19.255 19.000 0.121 0.000 1.055 190 A HN 0.408 nan 8.150 nan 0.000 0.492 191 R N 0.827 121.398 120.500 0.117 0.000 2.391 191 R HA 0.314 4.654 4.340 -0.000 0.000 0.310 191 R C -0.743 175.639 176.300 0.135 0.000 1.174 191 R CA -0.319 55.852 56.100 0.118 0.000 1.118 191 R CB -0.720 29.627 30.300 0.078 0.000 1.134 191 R HN 0.552 nan 8.270 nan 0.000 0.524 192 I N 4.560 125.231 120.570 0.169 0.000 2.517 192 I HA 0.206 4.376 4.170 -0.000 0.000 0.285 192 I C -1.626 174.629 176.117 0.229 0.000 1.106 192 I CA -1.910 59.499 61.300 0.182 0.000 1.402 192 I CB 0.626 38.689 38.000 0.105 0.000 1.399 192 I HN 0.386 nan 8.210 nan 0.000 0.535 193 P HA 0.254 nan 4.420 nan 0.000 0.274 193 P C -2.233 175.238 177.300 0.284 0.000 1.256 193 P CA -1.203 62.006 63.100 0.182 0.000 0.795 193 P CB 0.015 31.748 31.700 0.055 0.000 1.038 194 P HA 0.070 nan 4.420 nan 0.000 0.245 194 P C -0.271 176.960 177.300 -0.115 0.000 1.206 194 P CA 0.445 63.632 63.100 0.145 0.000 0.781 194 P CB -0.046 31.694 31.700 0.066 0.000 0.994 195 c N -5.164 113.073 118.600 -0.604 0.000 3.306 195 c HA 0.800 5.370 4.570 -0.000 0.000 0.335 195 c C 0.899 174.218 174.090 -1.286 0.000 1.382 195 c CA -0.007 55.616 56.329 -1.177 0.000 1.254 195 c CB 0.902 43.109 42.510 -0.505 0.000 1.555 195 c HN 0.402 nan 8.230 nan 0.000 0.463 196 G N 0.440 108.585 108.800 -1.092 0.000 2.160 196 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.244 196 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.244 196 G C -0.069 174.636 174.900 -0.326 0.000 1.022 196 G CA 0.418 45.214 45.100 -0.507 0.000 0.741 196 G HN 1.013 nan 8.290 nan 0.000 0.508 197 W N -0.420 120.874 121.300 -0.011 0.000 2.126 197 W HA 0.619 5.279 4.660 -0.000 0.000 0.346 197 W C 0.501 177.010 176.519 -0.017 0.000 1.279 197 W CA 0.284 57.618 57.345 -0.018 0.000 1.259 197 W CB 0.481 29.922 29.460 -0.032 0.000 1.133 197 W HN 0.732 nan 8.180 nan 0.000 0.592 198 K N 0.859 121.386 120.400 0.211 0.000 2.469 198 K HA 0.445 4.765 4.320 -0.000 0.000 0.254 198 K C -0.657 176.003 176.600 0.099 0.000 0.939 198 K CA -0.829 55.532 56.287 0.122 0.000 0.812 198 K CB 1.044 33.587 32.500 0.071 0.000 1.301 198 K HN 0.760 nan 8.250 nan 0.000 0.433 199 C N 2.181 121.531 119.300 0.083 0.000 2.517 199 C HA 0.177 4.637 4.460 -0.000 0.000 0.403 199 C C 2.207 177.202 174.990 0.008 0.000 1.467 199 C CA 0.857 59.914 59.018 0.065 0.000 1.542 199 C CB -1.257 26.558 27.740 0.125 0.000 2.482 199 C HN 1.101 nan 8.230 nan 0.000 0.610 200 S N 3.524 119.209 115.700 -0.024 0.000 2.440 200 S HA -0.159 4.311 4.470 -0.000 0.000 0.240 200 S C 1.811 176.343 174.600 -0.113 0.000 1.014 200 S CA 1.955 60.121 58.200 -0.057 0.000 0.980 200 S CB -0.180 62.975 63.200 -0.075 0.000 0.775 200 S HN 0.928 nan 8.310 nan 0.000 0.499 201 K N -0.512 119.763 120.400 -0.208 0.000 2.216 201 K HA 0.145 4.465 4.320 -0.000 0.000 0.207 201 K C 1.915 178.351 176.600 -0.275 0.000 1.041 201 K CA 0.834 56.895 56.287 -0.377 0.000 0.966 201 K CB 0.025 32.018 32.500 -0.846 0.000 0.955 201 K HN 0.613 nan 8.250 nan 0.000 0.468 202 C N -0.025 119.174 119.300 -0.168 0.000 1.664 202 C HA 0.346 4.806 4.460 -0.000 0.000 0.147 202 C C 1.131 176.150 174.990 0.047 0.000 2.948 202 C CA -0.182 58.872 59.018 0.060 0.000 1.904 202 C CB -0.031 27.883 27.740 0.289 0.000 2.561 202 C HN 0.295 nan 8.230 nan 0.000 0.278 203 D N -0.849 119.594 120.400 0.071 0.000 2.473 203 D HA 0.198 4.838 4.640 -0.000 0.000 0.242 203 D C 0.577 176.909 176.300 0.053 0.000 1.106 203 D CA -0.016 54.012 54.000 0.047 0.000 0.854 203 D CB -0.285 40.535 40.800 0.034 0.000 1.192 203 D HN 0.572 nan 8.370 nan 0.000 0.503 204 M N 1.142 120.783 119.600 0.068 0.000 2.188 204 M HA -0.161 4.319 4.480 -0.000 0.000 0.373 204 M C 0.951 177.290 176.300 0.065 0.000 1.192 204 M CA 0.982 56.319 55.300 0.063 0.000 0.854 204 M CB 0.596 33.240 32.600 0.073 0.000 1.821 204 M HN -0.142 nan 8.290 nan 0.000 0.488 205 R N 1.601 122.135 120.500 0.057 0.000 2.419 205 R HA 0.200 4.539 4.340 -0.000 0.000 0.235 205 R C 0.228 176.578 176.300 0.084 0.000 0.899 205 R CA 0.534 56.676 56.100 0.071 0.000 1.048 205 R CB 0.472 30.798 30.300 0.044 0.000 1.182 205 R HN 0.781 nan 8.270 nan 0.000 0.544 206 E N 1.115 121.347 120.200 0.054 0.000 2.264 206 E HA 0.299 4.649 4.350 -0.000 0.000 0.260 206 E C -0.104 176.487 176.600 -0.015 0.000 0.961 206 E CA -0.786 55.633 56.400 0.031 0.000 0.834 206 E CB 0.494 30.207 29.700 0.022 0.000 1.230 206 E HN 0.194 nan 8.360 nan 0.000 0.412 207 N N -0.696 117.949 118.700 -0.092 0.000 2.780 207 N HA -0.130 4.610 4.740 -0.000 0.000 0.247 207 N C -0.956 174.401 175.510 -0.254 0.000 1.076 207 N CA 0.651 53.595 53.050 -0.177 0.000 0.688 207 N CB -1.372 37.090 38.487 -0.043 0.000 0.957 207 N HN 0.593 nan 8.380 nan 0.000 0.551 208 L N 0.046 121.054 121.223 -0.358 0.000 2.322 208 L HA 0.543 4.882 4.340 -0.000 0.000 0.281 208 L C 0.025 176.601 176.870 -0.490 0.000 1.014 208 L CA -0.844 53.834 54.840 -0.270 0.000 0.815 208 L CB 0.893 42.888 42.059 -0.106 0.000 1.247 208 L HN -0.001 nan 8.230 nan 0.000 0.421 209 W N 3.756 125.018 121.300 -0.063 0.000 2.433 209 W HA 0.535 5.195 4.660 -0.000 0.000 0.315 209 W C -0.442 176.019 176.519 -0.098 0.000 1.087 209 W CA -0.542 56.764 57.345 -0.065 0.000 1.205 209 W CB 1.279 30.760 29.460 0.035 0.000 1.288 209 W HN 0.181 nan 8.180 nan 0.000 0.504 210 L N 4.933 126.178 121.223 0.036 0.000 2.257 210 L HA 0.334 4.674 4.340 -0.000 0.000 0.290 210 L C 0.048 176.931 176.870 0.022 0.000 1.044 210 L CA -0.249 54.533 54.840 -0.097 0.000 0.810 210 L CB 0.211 42.103 42.059 -0.279 0.000 1.193 210 L HN 0.403 nan 8.230 nan 0.000 0.425 211 N N 5.015 123.748 118.700 0.056 0.000 2.430 211 N HA 0.078 4.818 4.740 -0.000 0.000 0.265 211 N C 0.753 176.321 175.510 0.096 0.000 1.100 211 N CA -0.098 53.050 53.050 0.163 0.000 0.961 211 N CB 0.956 39.625 38.487 0.303 0.000 1.075 211 N HN 0.817 nan 8.380 nan 0.000 0.478 212 L N 2.663 123.966 121.223 0.134 0.000 2.633 212 L HA -0.069 4.271 4.340 -0.000 0.000 0.235 212 L C 1.698 178.694 176.870 0.210 0.000 1.163 212 L CA 0.649 55.624 54.840 0.225 0.000 0.859 212 L CB -0.177 41.921 42.059 0.066 0.000 0.973 212 L HN 0.544 nan 8.230 nan 0.000 0.451 213 T N -0.961 113.647 114.554 0.089 0.000 3.010 213 T HA -0.045 4.305 4.350 -0.000 0.000 0.252 213 T C 1.132 175.826 174.700 -0.009 0.000 1.047 213 T CA 1.240 63.256 62.100 -0.140 0.000 1.140 213 T CB 0.076 68.607 68.868 -0.561 0.000 0.885 213 T HN 0.474 nan 8.240 nan 0.000 0.464 214 D N -0.779 119.723 120.400 0.171 0.000 2.539 214 D HA 0.239 4.879 4.640 -0.000 0.000 0.232 214 D C 1.312 177.777 176.300 0.276 0.000 1.256 214 D CA 0.509 54.654 54.000 0.241 0.000 0.810 214 D CB -0.381 40.580 40.800 0.268 0.000 1.090 214 D HN 0.366 nan 8.370 nan 0.000 0.519 215 G N 1.145 110.015 108.800 0.116 0.000 2.168 215 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.263 215 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.263 215 G C 0.415 175.199 174.900 -0.194 0.000 0.977 215 G CA 0.595 45.482 45.100 -0.354 0.000 0.659 215 G HN 0.942 nan 8.290 nan 0.000 0.533 216 S N -0.495 115.166 115.700 -0.065 0.000 2.562 216 S HA 0.595 5.064 4.470 -0.000 0.000 0.281 216 S C 0.174 174.716 174.600 -0.097 0.000 1.333 216 S CA -0.290 57.853 58.200 -0.095 0.000 1.052 216 S CB 1.426 64.500 63.200 -0.210 0.000 0.884 216 S HN 0.609 nan 8.310 nan 0.000 0.506 217 I N 3.203 123.723 120.570 -0.084 0.000 2.382 217 I HA 0.447 4.617 4.170 -0.000 0.000 0.285 217 I C -0.597 175.519 176.117 -0.001 0.000 1.007 217 I CA -0.369 60.898 61.300 -0.055 0.000 1.142 217 I CB 0.856 38.819 38.000 -0.061 0.000 1.289 217 I HN 0.547 nan 8.210 nan 0.000 0.453 218 L N 5.615 126.881 121.223 0.071 0.000 2.424 218 L HA 0.569 4.909 4.340 -0.000 0.000 0.258 218 L C -0.134 176.877 176.870 0.235 0.000 0.995 218 L CA -0.945 53.975 54.840 0.133 0.000 0.821 218 L CB 2.114 44.244 42.059 0.119 0.000 1.383 218 L HN 0.644 nan 8.230 nan 0.000 0.410 219 C N -0.334 119.110 119.300 0.240 0.000 2.656 219 C HA 0.699 5.159 4.460 -0.000 0.000 0.391 219 C C 1.241 176.406 174.990 0.292 0.000 1.300 219 C CA -0.367 58.782 59.018 0.217 0.000 2.302 219 C CB -0.093 27.739 27.740 0.152 0.000 2.655 219 C HN 0.898 nan 8.230 nan 0.000 0.656 220 G N 1.706 110.699 108.800 0.323 0.000 2.525 220 G HA2 0.529 4.489 3.960 -0.000 0.000 0.276 220 G HA3 0.529 4.489 3.960 -0.000 0.000 0.276 220 G C -0.357 174.571 174.900 0.047 0.000 1.388 220 G CA -0.715 44.596 45.100 0.351 0.000 1.050 220 G HN 0.930 nan 8.290 nan 0.000 0.520 221 R N -1.141 119.313 120.500 -0.075 0.000 2.457 221 R HA 0.691 5.031 4.340 -0.000 0.000 0.284 221 R C 0.696 176.724 176.300 -0.453 0.000 1.024 221 R CA -0.329 55.627 56.100 -0.240 0.000 1.025 221 R CB -0.104 30.041 30.300 -0.259 0.000 1.063 221 R HN 0.716 nan 8.270 nan 0.000 0.493 222 R N 1.282 121.529 120.500 -0.421 0.000 2.607 222 R HA 0.695 5.035 4.340 -0.000 0.000 0.261 222 R C -0.681 175.253 176.300 -0.611 0.000 1.051 222 R CA -0.285 55.536 56.100 -0.465 0.000 1.110 222 R CB 0.240 30.415 30.300 -0.207 0.000 1.158 222 R HN 0.732 nan 8.270 nan 0.000 0.543 226 G N 0.142 109.010 108.800 0.113 0.000 2.307 226 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.210 226 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.210 226 G C 0.305 175.232 174.900 0.045 0.000 1.005 226 G CA 0.637 45.772 45.100 0.058 0.000 0.634 226 G HN 1.148 nan 8.290 nan 0.000 0.496 227 S N 0.251 116.001 115.700 0.083 0.000 2.632 227 S HA 0.890 5.360 4.470 -0.000 0.000 0.271 227 S C 0.722 175.327 174.600 0.009 0.000 1.260 227 S CA 0.823 59.060 58.200 0.061 0.000 1.010 227 S CB 2.243 65.497 63.200 0.089 0.000 0.965 227 S HN 2.459 nan 8.310 nan 0.000 0.534 228 G N 0.489 109.279 108.800 -0.017 0.000 2.265 228 G HA2 0.397 4.357 3.960 -0.000 0.000 0.246 228 G HA3 0.397 4.357 3.960 -0.000 0.000 0.246 228 G C -0.139 174.725 174.900 -0.059 0.000 1.299 228 G CA -0.332 44.724 45.100 -0.073 0.000 1.117 228 G HN 1.394 nan 8.290 nan 0.000 0.485 229 G N -1.219 107.534 108.800 -0.078 0.000 2.671 229 G HA2 0.506 4.466 3.960 -0.000 0.000 0.275 229 G HA3 0.506 4.466 3.960 -0.000 0.000 0.275 229 G C 0.123 174.949 174.900 -0.123 0.000 1.368 229 G CA 0.087 45.156 45.100 -0.053 0.000 1.044 229 G HN 0.716 nan 8.290 nan 0.000 0.543 230 N N 0.577 119.168 118.700 -0.183 0.000 2.327 230 N HA 0.114 4.854 4.740 -0.000 0.000 0.231 230 N C 0.126 175.339 175.510 -0.495 0.000 1.130 230 N CA -0.341 52.497 53.050 -0.353 0.000 0.845 230 N CB 0.224 38.437 38.487 -0.457 0.000 1.073 230 N HN 0.411 nan 8.380 nan 0.000 0.496 231 N N -0.631 117.909 118.700 -0.268 0.000 2.708 231 N HA -0.233 4.507 4.740 -0.000 0.000 0.251 231 N C 0.292 175.741 175.510 -0.103 0.000 1.123 231 N CA 0.780 53.731 53.050 -0.165 0.000 0.739 231 N CB -1.596 36.806 38.487 -0.141 0.000 1.113 231 N HN 0.647 nan 8.380 nan 0.000 0.561 232 H N -0.696 118.392 119.070 0.031 0.000 2.389 232 H HA 0.121 4.677 4.556 -0.000 0.000 0.299 232 H C 1.982 177.342 175.328 0.053 0.000 1.081 232 H CA 1.607 57.675 56.048 0.034 0.000 1.345 232 H CB 0.180 29.960 29.762 0.030 0.000 1.393 232 H HN 0.446 nan 8.280 nan 0.000 0.520 233 A N 0.423 123.358 122.820 0.192 0.000 1.855 233 A HA -0.143 4.177 4.320 -0.000 0.000 0.215 233 A C 2.501 180.078 177.584 -0.012 0.000 1.191 233 A CA 1.567 53.706 52.037 0.171 0.000 0.613 233 A CB -1.001 18.164 19.000 0.275 0.000 0.829 233 A HN 0.309 nan 8.150 nan 0.000 0.442 234 V N 0.196 120.070 119.914 -0.067 0.000 2.343 234 V HA -0.184 3.936 4.120 -0.000 0.000 0.247 234 V C 2.362 178.386 176.094 -0.116 0.000 1.051 234 V CA 2.486 64.652 62.300 -0.222 0.000 1.036 234 V CB -0.596 31.222 31.823 -0.008 0.000 0.654 234 V HN 0.571 nan 8.190 nan 0.000 0.451 235 E N -0.545 119.637 120.200 -0.030 0.000 2.204 235 E HA -0.254 4.096 4.350 -0.000 0.000 0.195 235 E C 1.997 178.575 176.600 -0.037 0.000 0.990 235 E CA 1.618 58.004 56.400 -0.023 0.000 0.821 235 E CB -0.364 29.351 29.700 0.025 0.000 0.750 235 E HN 0.860 nan 8.360 nan 0.000 0.477 236 H N -0.296 118.717 119.070 -0.096 0.000 2.395 236 H HA -0.148 4.408 4.556 -0.000 0.000 0.299 236 H C 1.933 177.139 175.328 -0.203 0.000 1.070 236 H CA 1.649 57.627 56.048 -0.116 0.000 1.356 236 H CB -0.299 29.438 29.762 -0.042 0.000 1.401 236 H HN 0.203 nan 8.280 nan 0.000 0.524 237 Y N 0.801 120.837 120.300 -0.439 0.000 2.181 237 Y HA -0.170 4.380 4.550 -0.000 0.000 0.288 237 Y C 2.521 178.173 175.900 -0.414 0.000 1.146 237 Y CA 1.699 59.475 58.100 -0.540 0.000 1.164 237 Y CB -0.354 37.570 38.460 -0.894 0.000 0.982 237 Y HN 0.019 nan 8.280 nan 0.000 0.515 238 R N 1.005 121.181 120.500 -0.539 0.000 2.096 238 R HA -0.177 4.163 4.340 -0.000 0.000 0.240 238 R C 2.163 178.175 176.300 -0.480 0.000 1.139 238 R CA 2.322 58.118 56.100 -0.507 0.000 0.952 238 R CB -0.588 29.584 30.300 -0.214 0.000 0.854 238 R HN 0.584 nan 8.270 nan 0.000 0.436 239 E N -1.577 118.383 120.200 -0.400 0.000 2.268 239 E HA -0.108 4.242 4.350 -0.000 0.000 0.195 239 E C 1.365 177.677 176.600 -0.480 0.000 0.995 239 E CA 1.596 57.781 56.400 -0.359 0.000 0.836 239 E CB 0.169 29.710 29.700 -0.263 0.000 0.763 239 E HN 0.631 nan 8.360 nan 0.000 0.491 240 T N -5.233 108.896 114.554 -0.709 0.000 3.019 240 T HA 0.292 4.642 4.350 -0.000 0.000 0.247 240 T C 1.624 175.866 174.700 -0.764 0.000 0.992 240 T CA 0.449 61.989 62.100 -0.934 0.000 1.036 240 T CB 0.827 68.653 68.868 -1.736 0.000 1.063 240 T HN 0.190 nan 8.240 nan 0.000 0.476 241 G N 1.004 109.382 108.800 -0.703 0.000 2.175 241 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.244 241 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.244 241 G C -0.274 174.637 174.900 0.020 0.000 0.982 241 G CA -0.044 44.800 45.100 -0.428 0.000 0.641 241 G HN 0.571 nan 8.290 nan 0.000 0.527 242 Y N 1.089 121.373 120.300 -0.028 0.000 2.674 242 Y HA 0.294 4.844 4.550 -0.000 0.000 0.354 242 Y C -0.440 175.571 175.900 0.186 0.000 1.089 242 Y CA -2.238 55.893 58.100 0.052 0.000 1.444 242 Y CB 0.404 38.883 38.460 0.032 0.000 1.187 242 Y HN 0.113 nan 8.280 nan 0.000 0.523 243 P HA -0.082 nan 4.420 nan 0.000 0.217 243 P C -0.047 177.241 177.300 -0.020 0.000 1.151 243 P CA 1.139 64.225 63.100 -0.023 0.000 0.828 243 P CB 0.905 32.319 31.700 -0.476 0.000 0.788 244 L N -0.382 120.848 121.223 0.011 0.000 2.317 244 L HA 0.705 5.045 4.340 -0.000 0.000 0.281 244 L C 0.090 177.011 176.870 0.085 0.000 1.024 244 L CA -1.012 53.812 54.840 -0.027 0.000 0.810 244 L CB 1.794 43.812 42.059 -0.068 0.000 1.240 244 L HN -0.106 nan 8.230 nan 0.000 0.427 245 A N 2.507 125.365 122.820 0.063 0.000 2.498 245 A HA 0.758 5.078 4.320 -0.000 0.000 0.298 245 A C -1.465 176.278 177.584 0.264 0.000 1.075 245 A CA -0.539 51.615 52.037 0.195 0.000 0.714 245 A CB 2.256 21.443 19.000 0.312 0.000 1.299 245 A HN 0.425 nan 8.150 nan 0.000 0.407 246 V N 1.316 121.384 119.914 0.257 0.000 2.581 246 V HA 0.572 4.692 4.120 -0.000 0.000 0.303 246 V C -0.017 176.134 176.094 0.095 0.000 1.041 246 V CA -0.786 61.634 62.300 0.200 0.000 0.907 246 V CB 1.603 33.467 31.823 0.068 0.000 0.994 246 V HN 0.891 nan 8.190 nan 0.000 0.442 247 K N 6.511 126.846 120.400 -0.109 0.000 2.262 247 K HA 0.376 4.696 4.320 -0.000 0.000 0.288 247 K C -0.425 175.874 176.600 -0.501 0.000 1.090 247 K CA -0.401 55.474 56.287 -0.687 0.000 0.918 247 K CB 0.144 32.085 32.500 -0.931 0.000 1.139 247 K HN 0.756 nan 8.250 nan 0.000 0.462 248 L N 3.652 124.512 121.223 -0.605 0.000 2.540 248 L HA -0.045 4.295 4.340 -0.000 0.000 0.276 248 L C 1.379 177.959 176.870 -0.484 0.000 1.212 248 L CA 1.201 55.566 54.840 -0.791 0.000 0.893 248 L CB 0.330 41.532 42.059 -1.429 0.000 1.138 248 L HN 1.140 nan 8.230 nan 0.000 0.491 249 G N 1.416 110.074 108.800 -0.237 0.000 2.194 249 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.236 249 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.236 249 G C 0.724 175.634 174.900 0.017 0.000 0.987 249 G CA 0.388 45.548 45.100 0.100 0.000 0.635 249 G HN 0.696 nan 8.290 nan 0.000 0.520 250 T N -1.122 113.393 114.554 -0.066 0.000 3.086 250 T HA 0.494 4.844 4.350 -0.000 0.000 0.250 250 T C 1.168 175.862 174.700 -0.009 0.000 1.074 250 T CA 0.159 62.237 62.100 -0.038 0.000 0.988 250 T CB 0.054 68.884 68.868 -0.064 0.000 0.988 250 T HN 0.421 nan 8.240 nan 0.000 0.530 251 I N 4.444 125.011 120.570 -0.005 0.000 2.453 251 I HA 0.155 4.325 4.170 -0.000 0.000 0.300 251 I C 1.006 177.148 176.117 0.040 0.000 1.159 251 I CA -0.245 61.067 61.300 0.019 0.000 1.379 251 I CB -0.269 37.743 38.000 0.020 0.000 1.460 251 I HN 0.339 nan 8.210 nan 0.000 0.601 252 T N 3.187 117.760 114.554 0.031 0.000 2.936 252 T HA 0.399 4.749 4.350 -0.000 0.000 0.282 252 T C -1.567 173.149 174.700 0.027 0.000 1.003 252 T CA -2.007 60.110 62.100 0.028 0.000 1.005 252 T CB 1.641 70.522 68.868 0.021 0.000 1.097 252 T HN 0.162 nan 8.240 nan 0.000 0.532 253 P HA -0.076 nan 4.420 nan 0.000 0.219 253 P C 0.611 177.923 177.300 0.020 0.000 1.144 253 P CA 1.147 64.258 63.100 0.019 0.000 0.806 253 P CB 0.050 31.756 31.700 0.010 0.000 0.771 254 D N -1.412 119.000 120.400 0.019 0.000 2.360 254 D HA 0.237 4.877 4.640 -0.000 0.000 0.210 254 D C 1.402 177.715 176.300 0.023 0.000 1.047 254 D CA 0.801 54.812 54.000 0.019 0.000 0.854 254 D CB 0.914 41.724 40.800 0.016 0.000 0.936 254 D HN 0.194 nan 8.370 nan 0.000 0.514 255 G N -0.237 108.579 108.800 0.026 0.000 2.352 255 G HA2 0.469 4.429 3.960 -0.000 0.000 0.283 255 G HA3 0.469 4.429 3.960 -0.000 0.000 0.283 255 G C -1.723 173.195 174.900 0.031 0.000 1.308 255 G CA -0.154 44.964 45.100 0.031 0.000 0.892 255 G HN 0.318 nan 8.290 nan 0.000 0.504 256 A N -1.229 121.612 122.820 0.035 0.000 2.568 256 A HA 0.755 5.075 4.320 -0.000 0.000 0.291 256 A C -1.860 175.751 177.584 0.045 0.000 1.159 256 A CA -0.436 51.619 52.037 0.030 0.000 0.679 256 A CB 1.366 20.381 19.000 0.025 0.000 1.285 256 A HN 0.572 nan 8.150 nan 0.000 0.428 257 D N 1.341 121.769 120.400 0.047 0.000 2.365 257 D HA 0.435 5.075 4.640 -0.000 0.000 0.237 257 D C -0.626 175.781 176.300 0.178 0.000 1.190 257 D CA 0.419 54.482 54.000 0.105 0.000 0.867 257 D CB 1.120 41.980 40.800 0.100 0.000 1.050 257 D HN 0.204 nan 8.370 nan 0.000 0.491 258 V N 3.959 123.963 119.914 0.151 0.000 2.394 258 V HA 0.191 4.311 4.120 -0.000 0.000 0.282 258 V C -0.411 175.757 176.094 0.124 0.000 1.031 258 V CA -0.826 61.559 62.300 0.141 0.000 0.881 258 V CB 0.957 32.817 31.823 0.062 0.000 0.982 258 V HN 0.356 nan 8.190 nan 0.000 0.451 259 Y N 3.468 123.724 120.300 -0.073 0.000 2.377 259 Y HA 0.577 5.127 4.550 -0.000 0.000 0.339 259 Y C 0.354 176.006 175.900 -0.413 0.000 1.011 259 Y CA -0.438 57.465 58.100 -0.327 0.000 1.093 259 Y CB 2.035 40.058 38.460 -0.728 0.000 1.201 259 Y HN 0.567 nan 8.280 nan 0.000 0.455 260 S N 5.528 120.516 115.700 -1.186 0.000 2.448 260 S HA 0.238 4.708 4.470 -0.000 0.000 0.320 260 S C 0.174 173.972 174.600 -1.337 0.000 1.071 260 S CA -0.475 57.163 58.200 -0.936 0.000 1.113 260 S CB 0.011 62.909 63.200 -0.503 0.000 0.972 260 S HN 0.734 nan 8.310 nan 0.000 0.465 261 Y N 3.037 122.805 120.300 -0.887 0.000 2.274 261 Y HA -0.097 4.452 4.550 -0.000 0.000 0.290 261 Y C 2.128 177.602 175.900 -0.711 0.000 1.145 261 Y CA 1.536 59.112 58.100 -0.873 0.000 1.203 261 Y CB -0.268 37.259 38.460 -1.555 0.000 0.984 261 Y HN 0.662 nan 8.280 nan 0.000 0.533 262 D N -0.232 119.925 120.400 -0.405 0.000 2.123 262 D HA -0.120 4.520 4.640 -0.000 0.000 0.200 262 D C 1.359 177.619 176.300 -0.068 0.000 0.976 262 D CA 1.120 55.051 54.000 -0.115 0.000 0.831 262 D CB 0.074 40.864 40.800 -0.017 0.000 0.974 262 D HN 0.312 nan 8.370 nan 0.000 0.469 263 E N 0.067 120.181 120.200 -0.143 0.000 2.489 263 E HA 0.001 4.351 4.350 -0.000 0.000 0.193 263 E C -0.251 176.257 176.600 -0.154 0.000 1.057 263 E CA 0.108 56.439 56.400 -0.115 0.000 0.866 263 E CB 0.251 29.885 29.700 -0.110 0.000 0.916 263 E HN 0.144 nan 8.360 nan 0.000 0.500 264 D N 1.827 122.094 120.400 -0.222 0.000 2.810 264 D HA -0.200 4.440 4.640 -0.000 0.000 0.224 264 D C -1.313 174.920 176.300 -0.112 0.000 1.222 264 D CA 0.957 54.871 54.000 -0.142 0.000 0.698 264 D CB -0.799 40.008 40.800 0.013 0.000 0.961 264 D HN 0.104 nan 8.370 nan 0.000 0.403 265 D N 0.240 120.429 120.400 -0.352 0.000 2.663 265 D HA 0.193 4.832 4.640 -0.000 0.000 0.233 265 D C 0.087 176.256 176.300 -0.219 0.000 1.240 265 D CA -0.621 53.288 54.000 -0.152 0.000 0.774 265 D CB 0.800 41.528 40.800 -0.121 0.000 1.443 265 D HN -0.051 nan 8.370 nan 0.000 0.441 266 M N 1.359 120.979 119.600 0.034 0.000 2.219 266 M HA 0.311 4.791 4.480 -0.000 0.000 0.353 266 M C 0.205 176.486 176.300 -0.032 0.000 1.304 266 M CA -0.353 54.976 55.300 0.049 0.000 1.115 266 M CB 0.108 32.773 32.600 0.108 0.000 1.664 266 M HN 0.267 nan 8.290 nan 0.000 0.459 267 V N 1.929 121.813 119.914 -0.050 0.000 3.102 267 V HA 0.684 4.804 4.120 -0.000 0.000 0.312 267 V C -0.525 175.554 176.094 -0.025 0.000 1.135 267 V CA -1.248 61.018 62.300 -0.057 0.000 1.022 267 V CB 2.100 33.858 31.823 -0.108 0.000 1.056 267 V HN 0.751 nan 8.190 nan 0.000 0.436 268 L N 1.495 122.705 121.223 -0.023 0.000 2.379 268 L HA 0.668 5.008 4.340 -0.000 0.000 0.269 268 L C -0.633 176.213 176.870 -0.039 0.000 1.084 268 L CA -0.092 54.742 54.840 -0.010 0.000 0.802 268 L CB 1.257 43.321 42.059 0.008 0.000 1.175 268 L HN 0.854 nan 8.230 nan 0.000 0.448 269 D N 2.279 122.668 120.400 -0.018 0.000 2.358 269 D HA 0.291 4.931 4.640 -0.000 0.000 0.253 269 D C -1.970 174.326 176.300 -0.007 0.000 1.288 269 D CA -1.834 52.143 54.000 -0.038 0.000 0.950 269 D CB 1.759 42.579 40.800 0.033 0.000 1.197 269 D HN 0.071 nan 8.370 nan 0.000 0.550 270 P HA -0.058 nan 4.420 nan 0.000 0.220 270 P C 0.615 177.928 177.300 0.022 0.000 1.144 270 P CA 0.783 63.920 63.100 0.062 0.000 0.800 270 P CB 0.413 32.233 31.700 0.200 0.000 0.772 271 S N -1.660 114.010 115.700 -0.051 0.000 2.575 271 S HA 0.136 4.605 4.470 -0.000 0.000 0.237 271 S C 1.280 175.701 174.600 -0.299 0.000 0.975 271 S CA -0.399 57.671 58.200 -0.216 0.000 0.960 271 S CB -0.563 62.400 63.200 -0.396 0.000 0.822 271 S HN -0.016 nan 8.310 nan 0.000 0.472 272 L N 2.830 124.022 121.223 -0.052 0.000 1.990 272 L HA -0.148 4.192 4.340 -0.000 0.000 0.213 272 L C 2.433 179.327 176.870 0.040 0.000 1.072 272 L CA 2.322 57.197 54.840 0.059 0.000 0.755 272 L CB -1.149 40.953 42.059 0.071 0.000 0.889 272 L HN 0.352 nan 8.230 nan 0.000 0.432 273 A N -0.992 121.833 122.820 0.008 0.000 1.896 273 A HA -0.278 4.042 4.320 -0.000 0.000 0.220 273 A C 2.193 179.784 177.584 0.012 0.000 1.206 273 A CA 2.174 54.223 52.037 0.019 0.000 0.647 273 A CB -0.719 18.285 19.000 0.006 0.000 0.828 273 A HN 0.579 nan 8.150 nan 0.000 0.455 274 E N -0.857 119.307 120.200 -0.061 0.000 2.152 274 E HA -0.135 4.215 4.350 -0.000 0.000 0.192 274 E C 1.801 178.391 176.600 -0.016 0.000 0.983 274 E CA 1.284 57.642 56.400 -0.070 0.000 0.818 274 E CB -0.457 29.160 29.700 -0.139 0.000 0.758 274 E HN 0.899 nan 8.360 nan 0.000 0.467 275 H N 0.015 119.103 119.070 0.029 0.000 2.395 275 H HA 0.048 4.604 4.556 -0.000 0.000 0.299 275 H C 2.224 177.630 175.328 0.130 0.000 1.070 275 H CA 0.619 56.684 56.048 0.029 0.000 1.356 275 H CB 0.209 30.000 29.762 0.048 0.000 1.401 275 H HN 0.022 nan 8.280 nan 0.000 0.524 276 L N -0.478 120.913 121.223 0.279 0.000 2.109 276 L HA -0.125 4.215 4.340 -0.000 0.000 0.207 276 L C 2.641 179.658 176.870 0.245 0.000 1.086 276 L CA 0.709 55.738 54.840 0.316 0.000 0.760 276 L CB -0.268 41.914 42.059 0.206 0.000 0.910 276 L HN 0.225 nan 8.230 nan 0.000 0.437 277 S N -0.793 114.990 115.700 0.139 0.000 2.399 277 S HA -0.276 4.194 4.470 -0.000 0.000 0.231 277 S C 2.000 176.624 174.600 0.040 0.000 1.022 277 S CA 1.305 59.554 58.200 0.083 0.000 0.983 277 S CB -0.301 62.929 63.200 0.049 0.000 0.803 277 S HN 0.540 nan 8.310 nan 0.000 0.480 278 H N 0.064 119.058 119.070 -0.126 0.000 2.357 278 H HA -0.097 4.459 4.556 -0.000 0.000 0.296 278 H C 0.909 176.014 175.328 -0.372 0.000 1.108 278 H CA 2.334 58.182 56.048 -0.334 0.000 1.273 278 H CB -0.368 29.039 29.762 -0.591 0.000 1.367 278 H HN 0.555 nan 8.280 nan 0.000 0.498 279 F N -0.646 119.351 119.950 0.078 0.000 2.692 279 F HA 0.279 4.806 4.527 -0.000 0.000 0.303 279 F C 1.641 177.455 175.800 0.024 0.000 1.114 279 F CA 0.467 58.485 58.000 0.030 0.000 1.361 279 F CB 0.113 39.160 39.000 0.078 0.000 1.063 279 F HN 0.308 nan 8.300 nan 0.000 0.550 280 G N 1.707 110.577 108.800 0.117 0.000 2.289 280 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.280 280 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.280 280 G C -0.242 174.736 174.900 0.130 0.000 1.089 280 G CA -0.198 44.959 45.100 0.095 0.000 0.939 280 G HN 0.391 nan 8.290 nan 0.000 0.499 281 I N 1.589 122.248 120.570 0.148 0.000 2.448 281 I HA 0.298 4.468 4.170 -0.000 0.000 0.281 281 I C -0.322 175.858 176.117 0.106 0.000 1.027 281 I CA -0.999 60.385 61.300 0.139 0.000 1.111 281 I CB 1.395 39.498 38.000 0.171 0.000 1.236 281 I HN 0.325 nan 8.210 nan 0.000 0.452 282 D N 6.649 127.097 120.400 0.080 0.000 2.217 282 D HA 0.525 5.165 4.640 -0.000 0.000 0.248 282 D C -0.511 175.822 176.300 0.055 0.000 1.008 282 D CA -0.527 53.509 54.000 0.060 0.000 0.914 282 D CB 2.059 42.886 40.800 0.044 0.000 1.182 282 D HN 0.279 nan 8.370 nan 0.000 0.451 320 L N 2.816 123.540 121.223 -0.832 0.000 2.333 320 L HA 0.745 5.085 4.340 -0.000 0.000 0.269 320 L C -0.618 175.568 176.870 -1.140 0.000 1.010 320 L CA -0.696 53.625 54.840 -0.865 0.000 0.818 320 L CB 0.962 42.643 42.059 -0.631 0.000 1.306 320 L HN 0.311 nan 8.230 nan 0.000 0.430 321 F N -0.070 119.760 119.950 -0.200 0.000 2.626 321 F HA 0.810 5.337 4.527 -0.000 0.000 0.311 321 F C 0.636 176.431 175.800 -0.009 0.000 1.088 321 F CA -0.331 57.630 58.000 -0.063 0.000 0.949 321 F CB 1.950 40.917 39.000 -0.056 0.000 1.322 321 F HN 0.657 nan 8.300 nan 0.000 0.461 322 G N 1.043 110.024 108.800 0.301 0.000 2.483 322 G HA2 0.041 4.001 3.960 -0.000 0.000 0.521 322 G HA3 0.041 4.001 3.960 -0.000 0.000 0.521 322 G C -3.282 171.785 174.900 0.278 0.000 1.278 322 G CA -1.379 43.866 45.100 0.243 0.000 0.965 322 G HN 0.479 nan 8.290 nan 0.000 0.504 323 P HA 0.320 nan 4.420 nan 0.000 0.261 323 P C 1.088 178.405 177.300 0.029 0.000 1.183 323 P CA 2.089 65.240 63.100 0.085 0.000 0.761 323 P CB 0.417 32.150 31.700 0.054 0.000 0.785 324 G N 2.475 111.204 108.800 -0.118 0.000 2.143 324 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.249 324 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.249 324 G C -0.100 174.456 174.900 -0.572 0.000 0.981 324 G CA -0.136 44.749 45.100 -0.358 0.000 0.665 324 G HN 0.551 nan 8.290 nan 0.000 0.528 325 Y N 0.905 121.257 120.300 0.085 0.000 2.629 325 Y HA 0.432 4.982 4.550 -0.000 0.000 0.282 325 Y C 0.894 176.834 175.900 0.067 0.000 0.994 325 Y CA -0.286 57.871 58.100 0.095 0.000 1.126 325 Y CB 0.532 38.973 38.460 -0.031 0.000 1.187 325 Y HN 0.129 nan 8.280 nan 0.000 0.600 326 T N 0.597 115.244 114.554 0.155 0.000 2.889 326 T HA 0.468 4.817 4.350 -0.000 0.000 0.291 326 T C 0.827 175.582 174.700 0.092 0.000 0.995 326 T CA -0.418 61.729 62.100 0.078 0.000 1.092 326 T CB 1.285 70.145 68.868 -0.013 0.000 0.954 326 T HN 0.577 nan 8.240 nan 0.000 0.506 327 G N 1.453 110.276 108.800 0.040 0.000 2.507 327 G HA2 0.605 4.565 3.960 -0.000 0.000 0.271 327 G HA3 0.605 4.565 3.960 -0.000 0.000 0.271 327 G C -0.619 174.259 174.900 -0.037 0.000 1.189 327 G CA -0.697 44.417 45.100 0.022 0.000 0.859 327 G HN 0.738 nan 8.290 nan 0.000 0.542 328 I N 0.805 121.352 120.570 -0.039 0.000 2.382 328 I HA 0.284 4.454 4.170 -0.000 0.000 0.286 328 I C 0.234 176.313 176.117 -0.063 0.000 1.002 328 I CA -0.941 60.309 61.300 -0.083 0.000 1.135 328 I CB 1.854 39.794 38.000 -0.099 0.000 1.288 328 I HN 0.285 nan 8.210 nan 0.000 0.448 329 R N 4.374 124.828 120.500 -0.076 0.000 2.583 329 R HA -0.034 4.306 4.340 -0.000 0.000 0.274 329 R C 0.338 176.617 176.300 -0.035 0.000 0.998 329 R CA 0.394 56.465 56.100 -0.048 0.000 1.081 329 R CB 0.009 30.276 30.300 -0.055 0.000 0.940 329 R HN 0.586 nan 8.270 nan 0.000 0.413 330 N N 3.337 122.031 118.700 -0.010 0.000 2.497 330 N HA -0.026 4.714 4.740 -0.000 0.000 0.268 330 N C -0.017 175.493 175.510 0.000 0.000 1.171 330 N CA 0.045 53.096 53.050 0.001 0.000 0.948 330 N CB 0.589 39.097 38.487 0.035 0.000 1.069 330 N HN 0.463 nan 8.380 nan 0.000 0.460 331 L N 2.471 123.691 121.223 -0.005 0.000 2.700 331 L HA 0.304 4.644 4.340 -0.000 0.000 0.234 331 L C 0.780 177.666 176.870 0.027 0.000 1.156 331 L CA -0.214 54.632 54.840 0.010 0.000 0.946 331 L CB -0.073 41.991 42.059 0.007 0.000 1.216 331 L HN 0.807 nan 8.230 nan 0.000 0.493 332 G N 0.778 109.599 108.800 0.035 0.000 3.251 332 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.680 332 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.680 332 G C 0.122 175.065 174.900 0.072 0.000 1.129 332 G CA -0.558 44.575 45.100 0.056 0.000 0.994 332 G HN 0.273 nan 8.290 nan 0.000 0.450 333 N N -1.012 117.744 118.700 0.094 0.000 2.708 333 N HA -0.245 4.495 4.740 -0.000 0.000 0.251 333 N C 1.548 177.133 175.510 0.125 0.000 1.123 333 N CA 2.048 55.185 53.050 0.145 0.000 0.739 333 N CB -1.326 37.259 38.487 0.164 0.000 1.113 333 N HN 1.798 nan 8.380 nan 0.000 0.561 334 S N -1.480 114.197 115.700 -0.039 0.000 2.710 334 S HA 0.075 4.545 4.470 -0.000 0.000 0.224 334 S C 2.103 176.460 174.600 -0.405 0.000 0.948 334 S CA 0.202 58.202 58.200 -0.334 0.000 0.949 334 S CB -0.861 62.189 63.200 -0.250 0.000 0.778 334 S HN 0.497 nan 8.310 nan 0.000 0.498 335 C N 0.770 119.981 119.300 -0.149 0.000 2.422 335 C HA -0.025 4.435 4.460 -0.000 0.000 0.279 335 C C 2.459 177.367 174.990 -0.137 0.000 1.305 335 C CA 0.476 59.421 59.018 -0.122 0.000 1.757 335 C CB -2.234 25.407 27.740 -0.165 0.000 1.962 335 C HN 0.783 nan 8.230 nan 0.000 0.499 336 Y N 2.034 122.289 120.300 -0.074 0.000 2.145 336 Y HA -0.101 4.449 4.550 -0.000 0.000 0.286 336 Y C 2.409 178.083 175.900 -0.377 0.000 1.145 336 Y CA 1.433 59.357 58.100 -0.294 0.000 1.148 336 Y CB -1.189 37.149 38.460 -0.204 0.000 0.981 336 Y HN 0.324 nan 8.280 nan 0.000 0.507 337 L N 0.871 121.416 121.223 -1.130 0.000 2.017 337 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 337 L C 2.003 178.630 176.870 -0.406 0.000 1.073 337 L CA 1.896 56.135 54.840 -1.002 0.000 0.745 337 L CB -0.562 40.825 42.059 -1.118 0.000 0.894 337 L HN 0.248 nan 8.230 nan 0.000 0.432 338 N N -0.011 118.480 118.700 -0.348 0.000 2.036 338 N HA -0.208 4.532 4.740 -0.000 0.000 0.195 338 N C 1.962 177.371 175.510 -0.168 0.000 1.037 338 N CA 1.835 54.764 53.050 -0.203 0.000 0.855 338 N CB -0.641 37.751 38.487 -0.157 0.000 1.033 338 N HN 0.325 nan 8.380 nan 0.000 0.423 339 S N 0.230 115.834 115.700 -0.160 0.000 2.368 339 S HA -0.048 4.422 4.470 -0.000 0.000 0.225 339 S C 2.216 176.737 174.600 -0.132 0.000 1.030 339 S CA 0.698 58.819 58.200 -0.132 0.000 0.999 339 S CB -0.194 62.953 63.200 -0.088 0.000 0.844 339 S HN 0.094 nan 8.310 nan 0.000 0.459 340 V N 0.918 120.793 119.914 -0.064 0.000 2.244 340 V HA -0.112 4.008 4.120 -0.000 0.000 0.244 340 V C 2.300 178.362 176.094 -0.054 0.000 1.042 340 V CA 1.408 63.730 62.300 0.037 0.000 1.006 340 V CB -0.675 31.349 31.823 0.335 0.000 0.641 340 V HN 0.320 nan 8.190 nan 0.000 0.446 341 V N -0.202 119.701 119.914 -0.020 0.000 2.380 341 V HA -0.295 3.825 4.120 -0.000 0.000 0.251 341 V C 2.628 178.650 176.094 -0.120 0.000 1.063 341 V CA 1.903 64.159 62.300 -0.074 0.000 1.055 341 V CB -0.550 31.252 31.823 -0.035 0.000 0.657 341 V HN 0.587 nan 8.190 nan 0.000 0.455 342 Q N -0.973 118.710 119.800 -0.195 0.000 2.224 342 Q HA -0.104 4.236 4.340 -0.000 0.000 0.203 342 Q C 2.239 178.015 176.000 -0.373 0.000 0.970 342 Q CA 1.414 57.020 55.803 -0.328 0.000 0.865 342 Q CB -0.176 28.259 28.738 -0.505 0.000 0.922 342 Q HN 0.594 nan 8.270 nan 0.000 0.445 343 V N 0.399 120.089 119.914 -0.372 0.000 2.379 343 V HA -0.180 3.940 4.120 -0.000 0.000 0.243 343 V C 2.238 178.111 176.094 -0.370 0.000 1.035 343 V CA 0.671 62.704 62.300 -0.445 0.000 1.035 343 V CB -0.425 30.954 31.823 -0.740 0.000 0.673 343 V HN 0.179 nan 8.190 nan 0.000 0.457 344 L N -0.166 120.796 121.223 -0.434 0.000 1.978 344 L HA -0.168 4.172 4.340 -0.000 0.000 0.218 344 L C 2.109 178.657 176.870 -0.537 0.000 1.075 344 L CA 2.120 56.561 54.840 -0.664 0.000 0.767 344 L CB -1.096 40.405 42.059 -0.930 0.000 0.890 344 L HN 0.300 nan 8.230 nan 0.000 0.434 345 F N -1.299 118.539 119.950 -0.186 0.000 2.805 345 F HA -0.040 4.487 4.527 -0.000 0.000 0.301 345 F C 2.060 177.800 175.800 -0.100 0.000 1.196 345 F CA 0.174 58.114 58.000 -0.100 0.000 1.439 345 F CB -0.340 38.587 39.000 -0.120 0.000 1.117 345 F HN 0.012 nan 8.300 nan 0.000 0.581 346 S N -0.212 115.495 115.700 0.013 0.000 2.524 346 S HA 0.210 4.680 4.470 -0.000 0.000 0.216 346 S C 0.730 175.438 174.600 0.179 0.000 0.987 346 S CA 0.078 58.328 58.200 0.083 0.000 0.909 346 S CB 0.034 63.260 63.200 0.044 0.000 0.781 346 S HN 0.135 nan 8.310 nan 0.000 0.521 347 I N 2.786 123.371 120.570 0.025 0.000 2.304 347 I HA 0.204 4.374 4.170 -0.000 0.000 0.291 347 I C -1.860 174.246 176.117 -0.019 0.000 1.018 347 I CA -2.387 58.812 61.300 -0.167 0.000 1.260 347 I CB 1.639 39.391 38.000 -0.413 0.000 1.390 347 I HN -0.094 nan 8.210 nan 0.000 0.475 348 P HA -0.199 nan 4.420 nan 0.000 0.216 348 P C 0.694 178.009 177.300 0.024 0.000 1.154 348 P CA 1.516 64.637 63.100 0.034 0.000 0.865 348 P CB 0.157 31.879 31.700 0.037 0.000 0.789 349 D N -1.689 118.696 120.400 -0.025 0.000 2.149 349 D HA -0.171 4.469 4.640 -0.000 0.000 0.198 349 D C 1.551 177.764 176.300 -0.146 0.000 0.990 349 D CA 1.110 55.046 54.000 -0.106 0.000 0.839 349 D CB -0.861 39.827 40.800 -0.187 0.000 0.948 349 D HN 0.211 nan 8.370 nan 0.000 0.460 350 F N 0.808 120.713 119.950 -0.075 0.000 2.293 350 F HA -0.028 4.499 4.527 -0.000 0.000 0.297 350 F C 2.460 178.363 175.800 0.171 0.000 1.089 350 F CA 0.730 58.749 58.000 0.032 0.000 1.377 350 F CB -0.161 38.799 39.000 -0.067 0.000 1.051 350 F HN -0.105 nan 8.300 nan 0.000 0.511 351 Q N 0.014 119.991 119.800 0.296 0.000 2.050 351 Q HA -0.193 4.147 4.340 -0.000 0.000 0.202 351 Q C 2.263 178.338 176.000 0.126 0.000 0.980 351 Q CA 1.537 57.484 55.803 0.240 0.000 0.840 351 Q CB -0.246 28.586 28.738 0.156 0.000 0.898 351 Q HN 0.390 nan 8.270 nan 0.000 0.424 352 R N 0.519 121.044 120.500 0.041 0.000 2.075 352 R HA -0.136 4.204 4.340 -0.000 0.000 0.232 352 R C 2.249 178.504 176.300 -0.076 0.000 1.126 352 R CA 1.402 57.490 56.100 -0.020 0.000 0.963 352 R CB -0.160 30.112 30.300 -0.048 0.000 0.858 352 R HN 0.016 nan 8.270 nan 0.000 0.435 353 K N -0.040 120.262 120.400 -0.164 0.000 2.057 353 K HA -0.138 4.182 4.320 -0.000 0.000 0.206 353 K C 1.009 177.395 176.600 -0.358 0.000 1.050 353 K CA 1.542 57.604 56.287 -0.376 0.000 0.935 353 K CB 0.024 32.109 32.500 -0.692 0.000 0.715 353 K HN 0.145 nan 8.250 nan 0.000 0.439 354 Y N -1.573 118.780 120.300 0.088 0.000 2.444 354 Y HA 0.251 4.801 4.550 -0.000 0.000 0.252 354 Y C 1.534 177.468 175.900 0.056 0.000 1.091 354 Y CA -0.172 57.999 58.100 0.118 0.000 1.276 354 Y CB 0.929 39.554 38.460 0.275 0.000 1.170 354 Y HN -0.148 nan 8.280 nan 0.000 0.517 355 V N -1.041 118.978 119.914 0.175 0.000 2.911 355 V HA -0.040 4.080 4.120 -0.000 0.000 0.237 355 V C 1.284 177.393 176.094 0.025 0.000 1.156 355 V CA 1.025 63.373 62.300 0.081 0.000 1.180 355 V CB 0.024 31.894 31.823 0.079 0.000 0.932 355 V HN 0.066 nan 8.190 nan 0.000 0.483 356 D N 0.777 121.191 120.400 0.024 0.000 2.178 356 D HA -0.115 4.525 4.640 -0.000 0.000 0.201 356 D C 1.679 177.957 176.300 -0.036 0.000 0.980 356 D CA 1.175 55.172 54.000 -0.004 0.000 0.842 356 D CB -0.041 40.757 40.800 -0.003 0.000 0.948 356 D HN 0.333 nan 8.370 nan 0.000 0.472 357 K N 0.509 120.882 120.400 -0.046 0.000 2.493 357 K HA 0.086 4.406 4.320 -0.000 0.000 0.207 357 K C 1.328 177.867 176.600 -0.101 0.000 1.033 357 K CA -0.151 56.096 56.287 -0.066 0.000 1.161 357 K CB 0.455 32.915 32.500 -0.067 0.000 0.873 357 K HN 0.043 nan 8.250 nan 0.000 0.491 358 L N -0.865 120.252 121.223 -0.177 0.000 2.141 358 L HA -0.026 4.314 4.340 -0.000 0.000 0.209 358 L C 1.702 178.261 176.870 -0.518 0.000 1.094 358 L CA 1.747 56.341 54.840 -0.409 0.000 0.763 358 L CB -0.419 41.281 42.059 -0.598 0.000 0.908 358 L HN 0.067 nan 8.230 nan 0.000 0.437 359 E N 0.759 120.780 120.200 -0.298 0.000 2.031 359 E HA -0.249 4.100 4.350 -0.000 0.000 0.193 359 E C 2.120 178.684 176.600 -0.059 0.000 0.994 359 E CA 1.359 57.658 56.400 -0.168 0.000 0.800 359 E CB -0.133 29.508 29.700 -0.099 0.000 0.752 359 E HN 0.615 nan 8.360 nan 0.000 0.447 360 K N 0.601 120.973 120.400 -0.047 0.000 2.074 360 K HA -0.169 4.151 4.320 -0.000 0.000 0.209 360 K C 2.259 178.890 176.600 0.050 0.000 1.048 360 K CA 1.165 57.452 56.287 0.000 0.000 0.926 360 K CB -0.158 32.336 32.500 -0.010 0.000 0.713 360 K HN 0.071 nan 8.250 nan 0.000 0.444 361 I N 0.193 120.791 120.570 0.048 0.000 2.163 361 I HA -0.268 3.901 4.170 -0.000 0.000 0.240 361 I C 2.068 178.385 176.117 0.333 0.000 1.081 361 I CA 0.920 62.317 61.300 0.162 0.000 1.353 361 I CB -0.337 37.760 38.000 0.162 0.000 1.054 361 I HN 0.067 nan 8.210 nan 0.000 0.407 362 F N 1.354 121.350 119.950 0.077 0.000 2.126 362 F HA -0.226 4.301 4.527 -0.000 0.000 0.299 362 F C 2.727 178.550 175.800 0.038 0.000 1.096 362 F CA 1.238 59.275 58.000 0.061 0.000 1.255 362 F CB -1.234 37.659 39.000 -0.178 0.000 0.997 362 F HN 0.194 nan 8.300 nan 0.000 0.479 363 Q N -0.337 119.581 119.800 0.195 0.000 2.096 363 Q HA -0.214 4.126 4.340 -0.000 0.000 0.204 363 Q C 2.011 178.085 176.000 0.123 0.000 0.982 363 Q CA 1.736 57.605 55.803 0.110 0.000 0.850 363 Q CB -0.777 27.998 28.738 0.061 0.000 0.901 363 Q HN 0.661 nan 8.270 nan 0.000 0.422 364 N N 0.238 119.023 118.700 0.142 0.000 2.398 364 N HA 0.314 5.054 4.740 -0.000 0.000 0.188 364 N C 0.448 176.051 175.510 0.154 0.000 1.122 364 N CA 0.547 53.672 53.050 0.125 0.000 0.866 364 N CB 0.043 38.593 38.487 0.104 0.000 0.970 364 N HN 0.295 nan 8.380 nan 0.000 0.462 365 A N 1.622 124.569 122.820 0.213 0.000 2.462 365 A HA 0.504 4.824 4.320 -0.000 0.000 0.243 365 A C -1.836 175.848 177.584 0.167 0.000 1.076 365 A CA -0.902 51.266 52.037 0.220 0.000 0.773 365 A CB 0.142 19.335 19.000 0.323 0.000 1.010 365 A HN 0.422 nan 8.150 nan 0.000 0.493 366 P HA 0.179 nan 4.420 nan 0.000 0.277 366 P C 0.859 178.223 177.300 0.107 0.000 1.271 366 P CA -0.157 63.002 63.100 0.098 0.000 0.795 366 P CB 0.199 31.945 31.700 0.078 0.000 1.101 367 T N -1.456 113.155 114.554 0.096 0.000 2.649 367 T HA -0.199 4.151 4.350 -0.000 0.000 0.268 367 T C 0.774 175.567 174.700 0.154 0.000 1.036 367 T CA 1.844 64.025 62.100 0.134 0.000 1.157 367 T CB -0.842 68.085 68.868 0.098 0.000 0.861 367 T HN 0.527 nan 8.240 nan 0.000 0.445 368 D N 2.081 122.519 120.400 0.065 0.000 2.456 368 D HA 0.208 4.848 4.640 -0.000 0.000 0.219 368 D C -2.097 174.151 176.300 -0.087 0.000 1.126 368 D CA -2.656 51.331 54.000 -0.022 0.000 0.890 368 D CB 1.445 42.235 40.800 -0.017 0.000 1.025 368 D HN 0.091 nan 8.370 nan 0.000 0.511 369 P HA 0.003 nan 4.420 nan 0.000 0.245 369 P C 1.255 178.362 177.300 -0.321 0.000 1.206 369 P CA 0.540 63.469 63.100 -0.284 0.000 0.781 369 P CB 0.149 31.455 31.700 -0.657 0.000 0.994 370 T N -3.799 110.541 114.554 -0.356 0.000 3.007 370 T HA -0.093 4.257 4.350 -0.000 0.000 0.270 370 T C 1.610 176.227 174.700 -0.139 0.000 1.107 370 T CA 1.059 62.971 62.100 -0.313 0.000 1.118 370 T CB -0.560 68.053 68.868 -0.424 0.000 0.889 370 T HN -0.090 nan 8.240 nan 0.000 0.506 371 Q N 0.985 120.732 119.800 -0.088 0.000 2.220 371 Q HA 0.366 4.706 4.340 -0.000 0.000 0.205 371 Q C -0.630 175.392 176.000 0.036 0.000 0.865 371 Q CA -0.056 55.743 55.803 -0.006 0.000 0.960 371 Q CB 0.278 29.023 28.738 0.013 0.000 1.097 371 Q HN 0.637 nan 8.270 nan 0.000 0.493 372 D N -0.987 119.427 120.400 0.025 0.000 2.303 372 D HA 0.107 4.747 4.640 -0.000 0.000 0.236 372 D C 0.269 176.653 176.300 0.140 0.000 1.068 372 D CA -0.381 53.676 54.000 0.095 0.000 0.830 372 D CB 0.475 41.325 40.800 0.083 0.000 1.109 372 D HN -0.030 nan 8.370 nan 0.000 0.496 373 F N 2.953 122.938 119.950 0.059 0.000 2.043 373 F HA -0.247 4.280 4.527 -0.000 0.000 0.297 373 F C 2.131 177.998 175.800 0.113 0.000 1.121 373 F CA 1.827 59.864 58.000 0.061 0.000 1.199 373 F CB -0.331 38.699 39.000 0.048 0.000 0.968 373 F HN 0.388 nan 8.300 nan 0.000 0.478 374 S N -0.418 115.439 115.700 0.262 0.000 2.370 374 S HA -0.219 4.251 4.470 -0.000 0.000 0.226 374 S C 1.931 176.640 174.600 0.181 0.000 1.033 374 S CA 1.792 60.150 58.200 0.264 0.000 1.011 374 S CB -0.899 62.546 63.200 0.408 0.000 0.852 374 S HN 0.520 nan 8.310 nan 0.000 0.457 375 T N 2.396 117.078 114.554 0.213 0.000 2.652 375 T HA -0.134 4.216 4.350 -0.000 0.000 0.267 375 T C 2.002 176.798 174.700 0.160 0.000 1.039 375 T CA 1.251 63.525 62.100 0.291 0.000 1.153 375 T CB -0.384 68.581 68.868 0.161 0.000 0.863 375 T HN 0.262 nan 8.240 nan 0.000 0.428 376 Q N 0.596 120.407 119.800 0.018 0.000 2.050 376 Q HA -0.045 4.294 4.340 -0.000 0.000 0.202 376 Q C 2.726 178.747 176.000 0.035 0.000 0.980 376 Q CA 1.008 56.820 55.803 0.016 0.000 0.840 376 Q CB -1.153 27.613 28.738 0.045 0.000 0.898 376 Q HN 0.423 nan 8.270 nan 0.000 0.424 377 V N 1.409 121.252 119.914 -0.119 0.000 2.287 377 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 377 V C 2.414 178.458 176.094 -0.083 0.000 1.053 377 V CA 1.915 64.090 62.300 -0.208 0.000 1.027 377 V CB -1.285 30.038 31.823 -0.833 0.000 0.646 377 V HN 0.353 nan 8.190 nan 0.000 0.447 378 A N 0.001 122.829 122.820 0.013 0.000 1.883 378 A HA -0.297 4.023 4.320 -0.000 0.000 0.217 378 A C 2.361 179.959 177.584 0.022 0.000 1.186 378 A CA 2.341 54.432 52.037 0.090 0.000 0.624 378 A CB -0.570 18.508 19.000 0.130 0.000 0.822 378 A HN 0.562 nan 8.150 nan 0.000 0.444 379 K N -0.393 120.061 120.400 0.090 0.000 2.044 379 K HA -0.140 4.180 4.320 -0.000 0.000 0.210 379 K C 2.004 178.584 176.600 -0.033 0.000 1.049 379 K CA 1.582 57.885 56.287 0.026 0.000 0.927 379 K CB -0.340 32.084 32.500 -0.126 0.000 0.713 379 K HN 0.464 nan 8.250 nan 0.000 0.443 380 L N 0.431 121.590 121.223 -0.108 0.000 1.989 380 L HA -0.159 4.181 4.340 -0.000 0.000 0.211 380 L C 2.461 179.063 176.870 -0.447 0.000 1.071 380 L CA 1.991 56.734 54.840 -0.161 0.000 0.749 380 L CB -0.960 40.868 42.059 -0.386 0.000 0.890 380 L HN 0.541 nan 8.230 nan 0.000 0.431 381 G N -1.815 106.421 108.800 -0.940 0.000 2.440 381 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.218 381 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.218 381 G C 1.305 175.907 174.900 -0.497 0.000 1.154 381 G CA 1.174 45.428 45.100 -1.410 0.000 0.767 381 G HN 0.547 nan 8.290 nan 0.000 0.552 382 H N 0.621 119.518 119.070 -0.288 0.000 2.321 382 H HA 0.006 4.562 4.556 -0.000 0.000 0.300 382 H C 2.658 177.959 175.328 -0.045 0.000 1.087 382 H CA 1.968 57.948 56.048 -0.113 0.000 1.319 382 H CB -0.573 29.169 29.762 -0.033 0.000 1.379 382 H HN 0.224 nan 8.280 nan 0.000 0.501 383 G N -0.380 108.462 108.800 0.070 0.000 2.586 383 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.215 383 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.215 383 G C 1.341 176.190 174.900 -0.085 0.000 1.128 383 G CA 0.824 45.979 45.100 0.092 0.000 0.774 383 G HN 0.441 nan 8.290 nan 0.000 0.543 384 L N -1.199 119.918 121.223 -0.176 0.000 2.575 384 L HA 0.361 4.701 4.340 -0.000 0.000 0.228 384 L C 1.851 178.626 176.870 -0.159 0.000 1.075 384 L CA 0.163 54.897 54.840 -0.176 0.000 0.867 384 L CB 0.284 42.204 42.059 -0.232 0.000 1.097 384 L HN 0.117 nan 8.230 nan 0.000 0.485 385 L N -1.230 119.879 121.223 -0.190 0.000 2.808 385 L HA 0.194 4.534 4.340 -0.000 0.000 0.246 385 L C 1.295 178.080 176.870 -0.142 0.000 1.153 385 L CA -0.137 54.615 54.840 -0.148 0.000 0.956 385 L CB 0.252 42.238 42.059 -0.122 0.000 1.270 385 L HN 0.179 nan 8.230 nan 0.000 0.528 386 S N -0.964 114.617 115.700 -0.199 0.000 3.884 386 S HA 0.668 5.138 4.470 -0.000 0.000 0.212 386 S C 0.448 175.009 174.600 -0.065 0.000 1.037 386 S CA -0.052 58.043 58.200 -0.175 0.000 1.611 386 S CB 0.374 63.350 63.200 -0.373 0.000 0.898 386 S HN 0.005 nan 8.310 nan 0.000 0.672 387 G N -0.245 108.530 108.800 -0.042 0.000 2.644 387 G HA2 0.646 4.605 3.960 -0.000 0.000 0.300 387 G HA3 0.646 4.605 3.960 -0.000 0.000 0.300 387 G C -1.039 173.875 174.900 0.024 0.000 1.395 387 G CA -0.322 44.787 45.100 0.014 0.000 0.964 387 G HN 0.762 nan 8.290 nan 0.000 0.511 411 G N 0.755 109.540 108.800 -0.024 0.000 2.725 411 G HA2 0.023 3.983 3.960 -0.000 0.000 0.220 411 G HA3 0.023 3.983 3.960 -0.000 0.000 0.220 411 G C -0.268 174.531 174.900 -0.169 0.000 1.357 411 G CA -0.193 44.861 45.100 -0.075 0.000 0.866 411 G HN 1.031 nan 8.290 nan 0.000 0.548 412 I N -2.815 117.594 120.570 -0.268 0.000 2.740 412 I HA 0.850 5.020 4.170 -0.000 0.000 0.303 412 I C 0.214 176.097 176.117 -0.390 0.000 1.044 412 I CA -0.993 59.992 61.300 -0.525 0.000 1.064 412 I CB 2.355 39.797 38.000 -0.930 0.000 1.249 412 I HN 1.557 nan 8.210 nan 0.000 0.433 413 A N 5.463 128.054 122.820 -0.382 0.000 2.399 413 A HA 0.626 4.946 4.320 -0.000 0.000 0.327 413 A C -2.284 175.299 177.584 -0.001 0.000 1.367 413 A CA -1.417 50.537 52.037 -0.138 0.000 0.842 413 A CB -0.027 18.944 19.000 -0.050 0.000 1.142 413 A HN 0.643 nan 8.150 nan 0.000 0.495 414 P HA 0.102 nan 4.420 nan 0.000 0.228 414 P C 0.692 178.135 177.300 0.238 0.000 1.748 414 P CA -0.237 63.011 63.100 0.246 0.000 0.909 414 P CB -0.024 31.765 31.700 0.148 0.000 1.882 415 R N -0.092 120.521 120.500 0.188 0.000 2.091 415 R HA -0.124 4.216 4.340 -0.000 0.000 0.238 415 R C 2.276 178.666 176.300 0.151 0.000 1.136 415 R CA 1.681 57.866 56.100 0.142 0.000 0.959 415 R CB -0.550 29.817 30.300 0.112 0.000 0.856 415 R HN 0.284 nan 8.270 nan 0.000 0.437 416 M N -0.229 119.471 119.600 0.166 0.000 2.099 416 M HA -0.163 4.317 4.480 -0.000 0.000 0.262 416 M C 1.972 178.354 176.300 0.137 0.000 1.067 416 M CA 1.624 56.990 55.300 0.110 0.000 1.124 416 M CB -0.113 32.506 32.600 0.032 0.000 1.353 416 M HN 0.129 nan 8.290 nan 0.000 0.410 417 F N 0.803 120.777 119.950 0.041 0.000 2.084 417 F HA -0.200 4.327 4.527 -0.000 0.000 0.296 417 F C 2.349 178.199 175.800 0.083 0.000 1.111 417 F CA 1.892 59.917 58.000 0.042 0.000 1.224 417 F CB -0.449 38.584 39.000 0.055 0.000 0.991 417 F HN 0.006 nan 8.300 nan 0.000 0.471 418 K N 0.459 120.977 120.400 0.197 0.000 2.113 418 K HA -0.218 4.101 4.320 -0.000 0.000 0.208 418 K C 2.094 178.714 176.600 0.034 0.000 1.047 418 K CA 1.321 57.654 56.287 0.077 0.000 0.928 418 K CB -0.454 32.117 32.500 0.118 0.000 0.716 418 K HN 0.411 nan 8.250 nan 0.000 0.446 419 A N 0.927 123.779 122.820 0.053 0.000 1.929 419 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 419 A C 1.970 179.578 177.584 0.039 0.000 1.176 419 A CA 0.920 52.992 52.037 0.058 0.000 0.628 419 A CB -0.356 18.685 19.000 0.068 0.000 0.816 419 A HN 0.343 nan 8.150 nan 0.000 0.444 420 L N 0.162 121.381 121.223 -0.006 0.000 2.068 420 L HA -0.006 4.334 4.340 -0.000 0.000 0.204 420 L C 1.995 178.863 176.870 -0.004 0.000 1.076 420 L CA 1.663 56.502 54.840 -0.002 0.000 0.753 420 L CB -0.395 41.656 42.059 -0.012 0.000 0.910 420 L HN 0.511 nan 8.230 nan 0.000 0.439 421 I N -1.601 118.890 120.570 -0.133 0.000 3.291 421 I HA 0.119 4.289 4.170 -0.000 0.000 0.279 421 I C 1.696 177.909 176.117 0.160 0.000 1.294 421 I CA 1.275 62.543 61.300 -0.053 0.000 1.428 421 I CB -1.750 36.065 38.000 -0.309 0.000 1.070 421 I HN 0.273 nan 8.210 nan 0.000 0.478 422 G N 1.007 109.889 108.800 0.135 0.000 2.986 422 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.213 422 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.213 422 G C 0.760 175.790 174.900 0.216 0.000 1.156 422 G CA -0.403 44.830 45.100 0.221 0.000 0.763 422 G HN 0.404 nan 8.290 nan 0.000 0.547 423 K N 0.880 121.377 120.400 0.162 0.000 2.453 423 K HA 0.320 4.640 4.320 -0.000 0.000 0.280 423 K C 1.456 178.149 176.600 0.154 0.000 1.045 423 K CA 0.850 57.218 56.287 0.134 0.000 1.059 423 K CB -0.019 32.541 32.500 0.099 0.000 0.901 423 K HN 0.236 nan 8.250 nan 0.000 0.475 424 G N 2.544 111.419 108.800 0.126 0.000 2.212 424 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.266 424 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.266 424 G C -0.018 174.944 174.900 0.104 0.000 0.978 424 G CA 0.299 45.458 45.100 0.098 0.000 0.632 424 G HN 0.812 nan 8.290 nan 0.000 0.537 425 H N 1.643 120.760 119.070 0.078 0.000 2.646 425 H HA 0.325 4.881 4.556 -0.000 0.000 0.325 425 H C -1.149 174.169 175.328 -0.018 0.000 1.075 425 H CA -0.973 55.104 56.048 0.049 0.000 1.421 425 H CB 1.731 31.545 29.762 0.087 0.000 1.461 425 H HN 0.048 nan 8.280 nan 0.000 0.525 426 P HA -0.120 nan 4.420 nan 0.000 0.217 426 P C 0.908 178.182 177.300 -0.043 0.000 1.150 426 P CA 1.123 64.145 63.100 -0.129 0.000 0.832 426 P CB 0.626 32.193 31.700 -0.221 0.000 0.787 427 E N -1.558 118.665 120.200 0.038 0.000 2.110 427 E HA 0.088 4.438 4.350 -0.000 0.000 0.193 427 E C 1.601 178.061 176.600 -0.235 0.000 0.950 427 E CA 0.801 57.059 56.400 -0.238 0.000 0.840 427 E CB -0.653 28.667 29.700 -0.633 0.000 0.809 427 E HN 0.294 nan 8.360 nan 0.000 0.465 428 F N 1.835 121.834 119.950 0.082 0.000 2.811 428 F HA 0.013 4.540 4.527 -0.000 0.000 0.301 428 F C 2.256 178.105 175.800 0.082 0.000 1.151 428 F CA 0.541 58.543 58.000 0.003 0.000 1.412 428 F CB -0.353 38.536 39.000 -0.183 0.000 1.113 428 F HN -0.050 nan 8.300 nan 0.000 0.579 429 S N -1.860 113.966 115.700 0.209 0.000 2.486 429 S HA 0.001 4.471 4.470 -0.000 0.000 0.220 429 S C 1.247 175.915 174.600 0.114 0.000 1.011 429 S CA 0.334 58.627 58.200 0.156 0.000 0.921 429 S CB -0.925 62.352 63.200 0.129 0.000 0.785 429 S HN 0.334 nan 8.310 nan 0.000 0.517 430 T N 1.626 116.235 114.554 0.092 0.000 2.771 430 T HA 0.284 4.634 4.350 -0.000 0.000 0.290 430 T C 0.618 175.377 174.700 0.098 0.000 1.005 430 T CA -0.222 61.920 62.100 0.069 0.000 0.944 430 T CB 0.451 69.337 68.868 0.030 0.000 1.147 430 T HN 0.382 nan 8.240 nan 0.000 0.534 431 N N -0.221 118.528 118.700 0.081 0.000 2.282 431 N HA 0.079 4.819 4.740 -0.000 0.000 0.240 431 N C 0.260 175.828 175.510 0.096 0.000 1.182 431 N CA -0.735 52.374 53.050 0.099 0.000 0.874 431 N CB 0.067 38.600 38.487 0.077 0.000 1.126 431 N HN 0.798 nan 8.380 nan 0.000 0.516 432 R N -0.101 120.441 120.500 0.070 0.000 2.549 432 R HA 0.336 4.676 4.340 -0.000 0.000 0.259 432 R C -0.418 175.919 176.300 0.062 0.000 1.095 432 R CA -0.665 55.457 56.100 0.036 0.000 1.148 432 R CB 0.659 30.946 30.300 -0.022 0.000 1.181 432 R HN -0.017 nan 8.270 nan 0.000 0.571 433 Q N 0.879 120.695 119.800 0.026 0.000 2.364 433 Q HA 0.088 4.427 4.340 -0.000 0.000 0.267 433 Q C -0.506 175.454 176.000 -0.067 0.000 0.999 433 Q CA 0.098 55.938 55.803 0.061 0.000 0.886 433 Q CB 0.946 29.718 28.738 0.056 0.000 1.243 433 Q HN 0.416 nan 8.270 nan 0.000 0.415 434 Q N 1.038 120.726 119.800 -0.187 0.000 2.456 434 Q HA 0.256 4.595 4.340 -0.000 0.000 0.283 434 Q C -1.121 174.821 176.000 -0.097 0.000 1.084 434 Q CA -0.667 54.897 55.803 -0.398 0.000 0.801 434 Q CB 1.841 29.984 28.738 -0.991 0.000 1.434 434 Q HN 0.647 nan 8.270 nan 0.000 0.419 435 D N 0.189 120.602 120.400 0.021 0.000 2.304 435 D HA 0.259 4.899 4.640 -0.000 0.000 0.250 435 D C 0.489 176.922 176.300 0.221 0.000 1.107 435 D CA 0.143 54.292 54.000 0.248 0.000 0.885 435 D CB 1.659 42.592 40.800 0.222 0.000 1.192 435 D HN 0.592 nan 8.370 nan 0.000 0.436 436 A N 4.302 127.219 122.820 0.162 0.000 1.877 436 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 436 A C 1.987 179.665 177.584 0.157 0.000 1.186 436 A CA 1.302 53.316 52.037 -0.037 0.000 0.620 436 A CB -0.528 18.240 19.000 -0.386 0.000 0.822 436 A HN 0.759 nan 8.150 nan 0.000 0.443 437 Q N -0.081 119.801 119.800 0.138 0.000 2.084 437 Q HA -0.243 4.097 4.340 -0.000 0.000 0.202 437 Q C 1.997 178.149 176.000 0.254 0.000 0.978 437 Q CA 2.163 58.054 55.803 0.147 0.000 0.844 437 Q CB -0.247 28.544 28.738 0.088 0.000 0.898 437 Q HN 0.823 nan 8.270 nan 0.000 0.426 438 E N -0.742 119.623 120.200 0.275 0.000 2.077 438 E HA -0.183 4.166 4.350 -0.000 0.000 0.193 438 E C 1.863 178.678 176.600 0.360 0.000 0.989 438 E CA 1.058 57.647 56.400 0.314 0.000 0.800 438 E CB -0.298 29.591 29.700 0.316 0.000 0.746 438 E HN 0.357 nan 8.360 nan 0.000 0.452 439 F N 0.411 120.484 119.950 0.204 0.000 2.134 439 F HA -0.168 4.358 4.527 -0.000 0.000 0.299 439 F C 1.889 177.674 175.800 -0.025 0.000 1.097 439 F CA 1.476 59.389 58.000 -0.145 0.000 1.264 439 F CB -0.522 38.439 39.000 -0.064 0.000 1.001 439 F HN 0.128 nan 8.300 nan 0.000 0.479 440 F N 0.886 120.807 119.950 -0.048 0.000 2.065 440 F HA -0.246 4.281 4.527 -0.000 0.000 0.298 440 F C 1.980 177.652 175.800 -0.213 0.000 1.112 440 F CA 1.991 59.909 58.000 -0.136 0.000 1.212 440 F CB -0.821 38.153 39.000 -0.043 0.000 0.975 440 F HN -0.040 nan 8.300 nan 0.000 0.476 441 L N -0.568 120.540 121.223 -0.191 0.000 2.201 441 L HA -0.240 4.100 4.340 -0.000 0.000 0.212 441 L C 2.708 179.407 176.870 -0.286 0.000 1.105 441 L CA 1.490 56.164 54.840 -0.276 0.000 0.775 441 L CB -1.072 40.977 42.059 -0.016 0.000 0.913 441 L HN 0.381 nan 8.230 nan 0.000 0.440 442 H N 0.218 119.082 119.070 -0.344 0.000 2.326 442 H HA -0.183 4.373 4.556 -0.000 0.000 0.301 442 H C 2.224 177.263 175.328 -0.482 0.000 1.081 442 H CA 1.662 57.496 56.048 -0.357 0.000 1.334 442 H CB 0.211 29.729 29.762 -0.406 0.000 1.385 442 H HN 0.198 nan 8.280 nan 0.000 0.504 443 L N 1.155 121.928 121.223 -0.751 0.000 2.056 443 L HA -0.152 4.188 4.340 -0.000 0.000 0.207 443 L C 2.405 179.007 176.870 -0.446 0.000 1.078 443 L CA 1.022 55.493 54.840 -0.615 0.000 0.749 443 L CB -0.896 40.802 42.059 -0.601 0.000 0.901 443 L HN 0.251 nan 8.230 nan 0.000 0.433 444 I N 0.114 120.340 120.570 -0.573 0.000 2.163 444 I HA -0.320 3.850 4.170 -0.000 0.000 0.243 444 I C 2.385 178.231 176.117 -0.450 0.000 1.085 444 I CA 1.619 62.599 61.300 -0.534 0.000 1.347 444 I CB -1.649 35.830 38.000 -0.868 0.000 1.044 444 I HN 0.464 nan 8.210 nan 0.000 0.408 445 N N 0.643 119.065 118.700 -0.462 0.000 2.166 445 N HA -0.217 4.523 4.740 -0.000 0.000 0.186 445 N C 1.920 177.166 175.510 -0.441 0.000 1.019 445 N CA 1.418 54.229 53.050 -0.397 0.000 0.856 445 N CB -0.202 38.093 38.487 -0.320 0.000 0.993 445 N HN 0.280 nan 8.380 nan 0.000 0.426 446 M N -0.632 118.661 119.600 -0.512 0.000 2.132 446 M HA -0.072 4.408 4.480 -0.000 0.000 0.263 446 M C 1.665 177.575 176.300 -0.651 0.000 1.065 446 M CA 1.022 55.954 55.300 -0.614 0.000 1.122 446 M CB -0.004 32.199 32.600 -0.662 0.000 1.365 446 M HN 0.032 nan 8.290 nan 0.000 0.411 447 V N 0.440 120.147 119.914 -0.345 0.000 2.332 447 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 447 V C 2.210 178.235 176.094 -0.115 0.000 1.055 447 V CA 2.302 64.562 62.300 -0.067 0.000 1.038 447 V CB -0.873 31.068 31.823 0.198 0.000 0.651 447 V HN 0.524 nan 8.190 nan 0.000 0.450 448 E N 0.365 120.456 120.200 -0.182 0.000 2.058 448 E HA -0.229 4.121 4.350 -0.000 0.000 0.194 448 E C 2.345 178.842 176.600 -0.172 0.000 0.997 448 E CA 1.544 57.860 56.400 -0.140 0.000 0.801 448 E CB -0.261 29.323 29.700 -0.194 0.000 0.746 448 E HN 0.453 nan 8.360 nan 0.000 0.450 449 R N -0.229 120.040 120.500 -0.386 0.000 2.120 449 R HA 0.004 4.344 4.340 -0.000 0.000 0.234 449 R C 1.177 177.465 176.300 -0.021 0.000 1.123 449 R CA 1.354 57.254 56.100 -0.333 0.000 0.975 449 R CB -0.066 29.993 30.300 -0.402 0.000 0.866 449 R HN 0.204 nan 8.270 nan 0.000 0.446 450 N N -1.198 117.438 118.700 -0.108 0.000 2.230 450 N HA 0.050 4.790 4.740 -0.000 0.000 0.202 450 N C -0.093 175.461 175.510 0.075 0.000 1.119 450 N CA 0.252 53.300 53.050 -0.003 0.000 0.851 450 N CB 0.955 39.410 38.487 -0.053 0.000 0.990 450 N HN 0.157 nan 8.380 nan 0.000 0.497 451 C N 0.774 120.113 119.300 0.065 0.000 3.240 451 C HA 0.246 4.706 4.460 -0.000 0.000 0.271 451 C C 1.044 176.056 174.990 0.037 0.000 1.534 451 C CA -0.713 58.331 59.018 0.045 0.000 1.796 451 C CB -0.701 27.051 27.740 0.020 0.000 2.892 451 C HN 0.291 nan 8.230 nan 0.000 0.566 452 R N 1.539 122.080 120.500 0.069 0.000 2.570 452 R HA 0.184 4.524 4.340 -0.000 0.000 0.277 452 R C 0.642 176.888 176.300 -0.089 0.000 1.039 452 R CA 1.009 57.100 56.100 -0.014 0.000 1.065 452 R CB 0.036 30.278 30.300 -0.097 0.000 0.964 452 R HN 0.266 nan 8.270 nan 0.000 0.428 453 S N 2.256 117.890 115.700 -0.109 0.000 3.410 453 S HA -0.196 4.274 4.470 -0.000 0.000 0.369 453 S C -0.961 173.603 174.600 -0.061 0.000 0.961 453 S CA 1.133 59.277 58.200 -0.094 0.000 1.248 453 S CB -1.497 61.626 63.200 -0.128 0.000 0.914 453 S HN 0.884 nan 8.310 nan 0.000 0.497 454 S N -1.048 114.624 115.700 -0.046 0.000 2.661 454 S HA 0.523 4.993 4.470 -0.000 0.000 0.268 454 S C -1.204 173.361 174.600 -0.057 0.000 1.162 454 S CA -1.577 56.596 58.200 -0.045 0.000 0.817 454 S CB 0.615 63.795 63.200 -0.034 0.000 1.141 454 S HN 0.240 nan 8.310 nan 0.000 0.477 455 E N 1.734 121.887 120.200 -0.078 0.000 2.729 455 E HA 0.124 4.473 4.350 -0.000 0.000 0.246 455 E C -0.474 176.045 176.600 -0.135 0.000 0.984 455 E CA 0.414 56.748 56.400 -0.110 0.000 0.951 455 E CB -0.122 29.495 29.700 -0.138 0.000 0.914 455 E HN 0.422 nan 8.360 nan 0.000 0.509 456 N N 4.460 123.089 118.700 -0.118 0.000 2.518 456 N HA 0.194 4.934 4.740 -0.000 0.000 0.254 456 N C -2.115 173.279 175.510 -0.193 0.000 0.979 456 N CA -2.516 50.461 53.050 -0.121 0.000 0.930 456 N CB 1.197 39.664 38.487 -0.033 0.000 1.152 456 N HN 0.127 nan 8.380 nan 0.000 0.505 457 P HA 0.007 nan 4.420 nan 0.000 0.229 457 P C 0.542 177.577 177.300 -0.440 0.000 1.160 457 P CA 0.578 63.301 63.100 -0.628 0.000 0.777 457 P CB 0.551 31.438 31.700 -1.354 0.000 0.814 458 N N 0.930 119.540 118.700 -0.150 0.000 2.258 458 N HA -0.160 4.580 4.740 -0.000 0.000 0.187 458 N C 1.516 177.178 175.510 0.253 0.000 1.012 458 N CA 0.973 54.133 53.050 0.184 0.000 0.870 458 N CB -0.596 37.998 38.487 0.178 0.000 0.977 458 N HN 0.390 nan 8.380 nan 0.000 0.434 459 E N 0.049 120.315 120.200 0.110 0.000 2.273 459 E HA -0.122 4.228 4.350 -0.000 0.000 0.198 459 E C 1.628 178.313 176.600 0.141 0.000 1.002 459 E CA 0.387 56.865 56.400 0.130 0.000 0.828 459 E CB 0.017 29.747 29.700 0.050 0.000 0.747 459 E HN 0.088 nan 8.360 nan 0.000 0.491 460 V N -0.154 119.780 119.914 0.034 0.000 2.809 460 V HA -0.163 3.957 4.120 -0.000 0.000 0.256 460 V C 1.063 177.259 176.094 0.170 0.000 1.080 460 V CA 1.357 63.663 62.300 0.010 0.000 1.102 460 V CB -0.164 31.527 31.823 -0.220 0.000 0.705 460 V HN 0.185 nan 8.190 nan 0.000 0.475 461 F N -0.176 120.048 119.950 0.457 0.000 2.500 461 F HA 0.372 4.899 4.527 -0.000 0.000 0.285 461 F C 1.471 177.605 175.800 0.557 0.000 1.088 461 F CA -0.317 58.019 58.000 0.560 0.000 1.432 461 F CB -0.498 38.897 39.000 0.659 0.000 1.131 461 F HN -0.092 nan 8.300 nan 0.000 0.582 462 R N 1.364 122.240 120.500 0.627 0.000 2.585 462 R HA 0.225 4.565 4.340 -0.000 0.000 0.275 462 R C -1.066 175.427 176.300 0.320 0.000 1.018 462 R CA 0.298 56.549 56.100 0.253 0.000 1.072 462 R CB 0.013 30.403 30.300 0.151 0.000 0.953 462 R HN 0.171 nan 8.270 nan 0.000 0.419 463 F N 1.646 121.614 119.950 0.029 0.000 2.685 463 F HA 0.487 5.014 4.527 -0.000 0.000 0.315 463 F C -1.969 173.832 175.800 0.003 0.000 1.126 463 F CA -1.544 56.508 58.000 0.087 0.000 0.950 463 F CB 0.776 39.921 39.000 0.242 0.000 1.360 463 F HN 0.107 nan 8.300 nan 0.000 0.469 464 L N 2.938 124.283 121.223 0.202 0.000 2.272 464 L HA 0.577 4.917 4.340 -0.000 0.000 0.289 464 L C -0.423 176.512 176.870 0.109 0.000 1.032 464 L CA -0.928 53.934 54.840 0.037 0.000 0.810 464 L CB 1.305 43.391 42.059 0.046 0.000 1.205 464 L HN 0.588 nan 8.230 nan 0.000 0.422 465 V N 3.441 123.322 119.914 -0.056 0.000 2.465 465 V HA 0.286 4.406 4.120 -0.000 0.000 0.279 465 V C 0.353 176.430 176.094 -0.029 0.000 1.045 465 V CA -0.777 61.496 62.300 -0.045 0.000 0.938 465 V CB 1.517 33.274 31.823 -0.109 0.000 0.986 465 V HN 0.762 nan 8.190 nan 0.000 0.467 466 E N 3.887 124.084 120.200 -0.004 0.000 2.115 466 E HA 0.340 4.690 4.350 -0.000 0.000 0.282 466 E C -0.697 175.908 176.600 0.008 0.000 0.987 466 E CA -0.509 55.914 56.400 0.039 0.000 0.797 466 E CB 1.019 30.777 29.700 0.098 0.000 1.086 466 E HN 0.715 nan 8.360 nan 0.000 0.397 467 E N 3.747 123.942 120.200 -0.008 0.000 2.175 467 E HA 0.221 4.571 4.350 -0.000 0.000 0.278 467 E C -1.124 175.413 176.600 -0.106 0.000 0.969 467 E CA -0.531 55.830 56.400 -0.064 0.000 0.796 467 E CB 1.239 30.897 29.700 -0.070 0.000 1.104 467 E HN 0.307 nan 8.360 nan 0.000 0.395 468 K N 4.641 124.922 120.400 -0.198 0.000 2.323 468 K HA 0.415 4.735 4.320 -0.000 0.000 0.259 468 K C -1.045 175.357 176.600 -0.329 0.000 0.947 468 K CA -0.565 55.478 56.287 -0.406 0.000 0.819 468 K CB 0.787 32.974 32.500 -0.521 0.000 1.109 468 K HN 0.502 nan 8.250 nan 0.000 0.429 469 I N 3.184 123.555 120.570 -0.332 0.000 2.488 469 I HA 0.328 4.497 4.170 -0.000 0.000 0.299 469 I C -0.316 175.615 176.117 -0.310 0.000 0.984 469 I CA -0.637 60.474 61.300 -0.316 0.000 1.250 469 I CB 1.625 39.456 38.000 -0.281 0.000 1.389 469 I HN 0.488 nan 8.210 nan 0.000 0.488 470 K N 5.316 125.534 120.400 -0.304 0.000 2.578 470 K HA 0.347 4.667 4.320 -0.000 0.000 0.250 470 K C -1.026 175.438 176.600 -0.226 0.000 0.955 470 K CA -0.610 55.549 56.287 -0.214 0.000 0.825 470 K CB 1.541 33.945 32.500 -0.161 0.000 1.151 470 K HN 0.803 nan 8.250 nan 0.000 0.432 471 C N 6.806 126.034 119.300 -0.121 0.000 2.663 471 C HA 0.133 4.593 4.460 -0.000 0.000 0.398 471 C C 1.676 176.649 174.990 -0.028 0.000 1.356 471 C CA -0.721 58.290 59.018 -0.012 0.000 1.629 471 C CB -1.280 26.553 27.740 0.155 0.000 2.402 471 C HN 1.021 nan 8.230 nan 0.000 0.598 472 L N 6.372 127.570 121.223 -0.042 0.000 2.083 472 L HA 0.060 4.400 4.340 -0.000 0.000 0.209 472 L C 2.486 179.344 176.870 -0.020 0.000 1.083 472 L CA 2.457 57.274 54.840 -0.039 0.000 0.752 472 L CB -1.083 40.951 42.059 -0.042 0.000 0.899 472 L HN 0.856 nan 8.230 nan 0.000 0.433 473 A N -1.474 121.340 122.820 -0.009 0.000 1.898 473 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 473 A C 2.175 179.749 177.584 -0.017 0.000 1.181 473 A CA 2.199 54.227 52.037 -0.015 0.000 0.620 473 A CB -0.937 18.050 19.000 -0.020 0.000 0.819 473 A HN 0.553 nan 8.150 nan 0.000 0.442 474 T N -4.613 109.934 114.554 -0.012 0.000 3.022 474 T HA 0.252 4.602 4.350 -0.000 0.000 0.250 474 T C 0.495 175.191 174.700 -0.006 0.000 1.060 474 T CA 0.683 62.777 62.100 -0.011 0.000 1.013 474 T CB 0.007 68.868 68.868 -0.011 0.000 0.982 474 T HN 0.539 nan 8.240 nan 0.000 0.508 475 E N 0.418 120.612 120.200 -0.009 0.000 3.496 475 E HA -0.162 4.188 4.350 -0.000 0.000 0.300 475 E C -0.488 176.109 176.600 -0.003 0.000 0.877 475 E CA 0.597 56.990 56.400 -0.011 0.000 1.050 475 E CB -1.103 28.593 29.700 -0.006 0.000 1.532 475 E HN 0.656 nan 8.360 nan 0.000 0.447 476 K N 0.692 121.094 120.400 0.004 0.000 2.154 476 K HA 0.439 4.759 4.320 -0.000 0.000 0.264 476 K C 0.309 176.911 176.600 0.003 0.000 1.008 476 K CA -0.014 56.283 56.287 0.018 0.000 0.937 476 K CB 1.697 34.216 32.500 0.031 0.000 1.002 476 K HN 0.040 nan 8.250 nan 0.000 0.469 477 V N -1.532 118.390 119.914 0.013 0.000 3.001 477 V HA 0.634 4.754 4.120 -0.000 0.000 0.314 477 V C -0.899 175.190 176.094 -0.009 0.000 1.099 477 V CA -0.947 61.327 62.300 -0.043 0.000 0.989 477 V CB 1.875 33.673 31.823 -0.041 0.000 1.040 477 V HN 0.747 nan 8.190 nan 0.000 0.434 478 K N 1.767 122.107 120.400 -0.100 0.000 2.513 478 K HA 0.548 4.868 4.320 -0.000 0.000 0.251 478 K C -2.189 174.329 176.600 -0.137 0.000 0.939 478 K CA -0.622 55.657 56.287 -0.014 0.000 0.793 478 K CB 2.225 34.750 32.500 0.042 0.000 1.241 478 K HN 0.840 nan 8.250 nan 0.000 0.431 479 Y N 1.433 121.735 120.300 0.004 0.000 2.328 479 Y HA 0.281 4.831 4.550 -0.000 0.000 0.337 479 Y C 0.378 176.274 175.900 -0.007 0.000 1.008 479 Y CA -0.313 57.783 58.100 -0.008 0.000 1.129 479 Y CB 2.082 40.538 38.460 -0.007 0.000 1.185 479 Y HN 0.421 nan 8.280 nan 0.000 0.476 480 T N 3.089 117.699 114.554 0.093 0.000 2.950 480 T HA 0.484 4.834 4.350 -0.000 0.000 0.288 480 T C -1.078 173.646 174.700 0.041 0.000 1.035 480 T CA -0.999 61.130 62.100 0.048 0.000 1.028 480 T CB 1.923 70.794 68.868 0.005 0.000 1.109 480 T HN 0.562 nan 8.240 nan 0.000 0.514 481 Q N 0.573 120.379 119.800 0.010 0.000 2.345 481 Q HA 0.611 4.951 4.340 -0.000 0.000 0.275 481 Q C -1.518 174.455 176.000 -0.045 0.000 1.063 481 Q CA -0.950 54.847 55.803 -0.010 0.000 0.819 481 Q CB 1.824 30.562 28.738 0.001 0.000 1.356 481 Q HN 0.795 nan 8.270 nan 0.000 0.418 482 R N 0.383 120.837 120.500 -0.075 0.000 2.680 482 R HA 0.637 4.977 4.340 -0.000 0.000 0.269 482 R C -1.496 174.695 176.300 -0.181 0.000 1.026 482 R CA -0.883 55.148 56.100 -0.115 0.000 0.889 482 R CB 1.068 31.299 30.300 -0.114 0.000 1.241 482 R HN 0.303 nan 8.270 nan 0.000 0.463 483 V N 1.404 121.191 119.914 -0.212 0.000 2.881 483 V HA 0.281 4.400 4.120 -0.000 0.000 0.303 483 V C -0.135 175.661 176.094 -0.497 0.000 1.070 483 V CA 0.520 62.617 62.300 -0.339 0.000 1.074 483 V CB 1.239 32.897 31.823 -0.275 0.000 1.012 483 V HN 0.806 nan 8.190 nan 0.000 0.482 484 D N 0.588 120.489 120.400 -0.831 0.000 2.671 484 D HA 0.325 4.965 4.640 -0.000 0.000 0.273 484 D C -0.750 174.972 176.300 -0.964 0.000 1.264 484 D CA -0.330 53.167 54.000 -0.838 0.000 0.788 484 D CB 1.596 41.943 40.800 -0.755 0.000 1.324 484 D HN 0.330 nan 8.370 nan 0.000 0.424 485 Y N -0.314 119.932 120.300 -0.091 0.000 2.526 485 Y HA 0.367 4.917 4.550 -0.000 0.000 0.265 485 Y C 0.669 176.797 175.900 0.379 0.000 1.092 485 Y CA -0.188 58.036 58.100 0.206 0.000 1.277 485 Y CB 0.635 39.188 38.460 0.155 0.000 1.228 485 Y HN 0.303 nan 8.280 nan 0.000 0.507 486 I N -0.667 120.162 120.570 0.431 0.000 2.466 486 I HA 0.484 4.654 4.170 -0.000 0.000 0.289 486 I C -0.492 175.856 176.117 0.385 0.000 1.026 486 I CA -1.524 59.982 61.300 0.343 0.000 1.078 486 I CB 1.904 40.030 38.000 0.211 0.000 1.249 486 I HN 0.007 nan 8.210 nan 0.000 0.429 487 M N 4.845 124.653 119.600 0.346 0.000 2.180 487 M HA 0.461 4.941 4.480 -0.000 0.000 0.358 487 M C -0.986 175.419 176.300 0.175 0.000 1.233 487 M CA 0.317 55.789 55.300 0.288 0.000 1.114 487 M CB 1.149 33.849 32.600 0.167 0.000 1.594 487 M HN 0.650 nan 8.290 nan 0.000 0.467 488 Q N 3.748 123.696 119.800 0.246 0.000 2.360 488 Q HA 0.437 4.777 4.340 -0.000 0.000 0.254 488 Q C -1.334 174.802 176.000 0.228 0.000 0.975 488 Q CA -0.605 55.322 55.803 0.207 0.000 0.912 488 Q CB 1.563 30.430 28.738 0.215 0.000 1.212 488 Q HN 0.776 nan 8.270 nan 0.000 0.452 489 L N 6.394 127.688 121.223 0.118 0.000 2.265 489 L HA 0.410 4.750 4.340 -0.000 0.000 0.288 489 L C -2.334 174.584 176.870 0.079 0.000 1.058 489 L CA -1.771 53.122 54.840 0.088 0.000 0.809 489 L CB 0.699 42.769 42.059 0.018 0.000 1.179 489 L HN 0.393 nan 8.230 nan 0.000 0.429 490 P HA 0.086 nan 4.420 nan 0.000 0.277 490 P C -1.171 176.133 177.300 0.006 0.000 1.240 490 P CA -0.278 62.853 63.100 0.052 0.000 0.798 490 P CB 1.674 33.412 31.700 0.064 0.000 0.979 491 V N 3.395 123.302 119.914 -0.013 0.000 2.304 491 V HA 0.365 4.485 4.120 -0.000 0.000 0.278 491 V C -2.419 173.668 176.094 -0.011 0.000 1.018 491 V CA -2.450 59.838 62.300 -0.021 0.000 0.814 491 V CB 1.017 32.818 31.823 -0.036 0.000 1.021 491 V HN 0.411 nan 8.190 nan 0.000 0.440 492 P HA 0.251 nan 4.420 nan 0.000 0.266 492 P C 1.024 178.321 177.300 -0.004 0.000 1.586 492 P CA -0.461 62.636 63.100 -0.005 0.000 1.088 492 P CB 1.239 32.931 31.700 -0.012 0.000 1.584 493 M N 1.278 120.879 119.600 0.002 0.000 2.143 493 M HA -0.167 4.313 4.480 -0.000 0.000 0.258 493 M C 0.740 177.041 176.300 0.003 0.000 1.071 493 M CA 1.667 56.969 55.300 0.004 0.000 1.088 493 M CB -1.432 31.175 32.600 0.011 0.000 1.360 493 M HN 0.202 nan 8.290 nan 0.000 0.404 494 D N 0.159 120.561 120.400 0.003 0.000 2.389 494 D HA -0.028 4.612 4.640 -0.000 0.000 0.221 494 D C 1.694 177.993 176.300 -0.002 0.000 0.974 494 D CA 1.102 55.103 54.000 0.002 0.000 0.923 494 D CB -0.058 40.743 40.800 0.002 0.000 0.892 494 D HN 0.415 nan 8.370 nan 0.000 0.518 495 A N 0.172 122.989 122.820 -0.006 0.000 2.195 495 A HA 0.429 4.749 4.320 -0.000 0.000 0.210 495 A C 1.298 178.877 177.584 -0.007 0.000 1.165 495 A CA 0.352 52.383 52.037 -0.010 0.000 0.806 495 A CB -0.112 18.878 19.000 -0.017 0.000 0.847 495 A HN 0.157 nan 8.150 nan 0.000 0.482 496 A N 0.022 122.839 122.820 -0.005 0.000 2.600 496 A HA 0.171 4.491 4.320 -0.000 0.000 0.244 496 A C 0.856 178.439 177.584 -0.003 0.000 1.016 496 A CA 0.342 52.377 52.037 -0.004 0.000 0.778 496 A CB -0.248 18.753 19.000 0.000 0.000 0.920 496 A HN 0.518 nan 8.150 nan 0.000 0.513 497 L N 1.489 122.709 121.223 -0.005 0.000 2.591 497 L HA 0.043 4.383 4.340 -0.000 0.000 0.228 497 L C 0.776 177.644 176.870 -0.003 0.000 1.133 497 L CA 0.557 55.395 54.840 -0.004 0.000 0.880 497 L CB -0.283 41.773 42.059 -0.006 0.000 1.033 497 L HN 0.961 nan 8.230 nan 0.000 0.450 498 N N -1.990 116.708 118.700 -0.003 0.000 2.598 498 N HA 0.046 4.786 4.740 -0.000 0.000 0.295 498 N C 0.529 176.043 175.510 0.007 0.000 1.729 498 N CA -0.404 52.646 53.050 -0.000 0.000 0.877 498 N CB 0.038 38.520 38.487 -0.008 0.000 1.405 498 N HN -0.112 nan 8.380 nan 0.000 0.491 499 K N 0.368 120.773 120.400 0.009 0.000 2.089 499 K HA -0.247 4.073 4.320 -0.000 0.000 0.210 499 K C 1.884 178.498 176.600 0.023 0.000 1.048 499 K CA 2.442 58.738 56.287 0.015 0.000 0.926 499 K CB -0.063 32.444 32.500 0.012 0.000 0.714 499 K HN 0.631 nan 8.250 nan 0.000 0.448 500 E N 1.541 121.753 120.200 0.020 0.000 2.112 500 E HA -0.156 4.194 4.350 -0.000 0.000 0.190 500 E C 1.765 178.385 176.600 0.033 0.000 0.979 500 E CA 1.231 57.645 56.400 0.024 0.000 0.814 500 E CB -0.451 29.259 29.700 0.017 0.000 0.762 500 E HN 0.415 nan 8.360 nan 0.000 0.460 501 E N 0.204 120.422 120.200 0.029 0.000 2.204 501 E HA 0.025 4.375 4.350 -0.000 0.000 0.195 501 E C 1.962 178.600 176.600 0.063 0.000 0.990 501 E CA 0.624 57.045 56.400 0.036 0.000 0.821 501 E CB -0.011 29.698 29.700 0.015 0.000 0.750 501 E HN 0.475 nan 8.360 nan 0.000 0.477 502 L N -0.099 121.161 121.223 0.061 0.000 2.209 502 L HA 0.008 4.348 4.340 -0.000 0.000 0.207 502 L C 1.813 178.767 176.870 0.140 0.000 1.094 502 L CA 0.711 55.612 54.840 0.101 0.000 0.790 502 L CB 0.002 42.097 42.059 0.061 0.000 0.932 502 L HN 0.235 nan 8.230 nan 0.000 0.447 503 L N 0.170 121.443 121.223 0.083 0.000 2.156 503 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 503 L C 2.980 179.881 176.870 0.052 0.000 1.095 503 L CA 1.345 56.221 54.840 0.060 0.000 0.770 503 L CB -0.724 41.357 42.059 0.036 0.000 0.914 503 L HN 0.330 nan 8.230 nan 0.000 0.439 504 E N -0.320 119.918 120.200 0.064 0.000 2.106 504 E HA -0.302 4.048 4.350 -0.000 0.000 0.192 504 E C 1.893 178.535 176.600 0.071 0.000 0.984 504 E CA 1.323 57.755 56.400 0.053 0.000 0.806 504 E CB -1.018 28.714 29.700 0.053 0.000 0.750 504 E HN 0.608 nan 8.360 nan 0.000 0.458 505 Y N 1.268 121.569 120.300 0.002 0.000 2.145 505 Y HA -0.096 4.454 4.550 -0.000 0.000 0.286 505 Y C 2.249 178.151 175.900 0.003 0.000 1.145 505 Y CA 2.340 60.441 58.100 0.003 0.000 1.148 505 Y CB -0.084 38.378 38.460 0.003 0.000 0.981 505 Y HN 0.326 nan 8.280 nan 0.000 0.507 506 E N -0.310 119.839 120.200 -0.085 0.000 2.204 506 E HA -0.195 4.155 4.350 -0.000 0.000 0.195 506 E C 2.118 178.618 176.600 -0.168 0.000 0.990 506 E CA 0.991 57.289 56.400 -0.170 0.000 0.821 506 E CB -0.046 29.655 29.700 0.000 0.000 0.750 506 E HN 0.411 nan 8.360 nan 0.000 0.477 507 E N 0.737 120.875 120.200 -0.104 0.000 2.046 507 E HA -0.179 4.171 4.350 -0.000 0.000 0.190 507 E C 2.359 178.894 176.600 -0.108 0.000 0.982 507 E CA 1.627 57.980 56.400 -0.079 0.000 0.800 507 E CB -0.071 29.607 29.700 -0.038 0.000 0.756 507 E HN 0.220 nan 8.360 nan 0.000 0.449 508 K N 1.214 121.536 120.400 -0.131 0.000 2.057 508 K HA -0.165 4.154 4.320 -0.000 0.000 0.207 508 K C 2.346 178.837 176.600 -0.182 0.000 1.049 508 K CA 2.483 58.693 56.287 -0.128 0.000 0.931 508 K CB -1.310 31.136 32.500 -0.090 0.000 0.714 508 K HN 0.286 nan 8.250 nan 0.000 0.440 509 K N 1.136 121.338 120.400 -0.331 0.000 2.025 509 K HA -0.074 4.246 4.320 -0.000 0.000 0.207 509 K C 2.301 178.802 176.600 -0.166 0.000 1.049 509 K CA 1.702 57.806 56.287 -0.305 0.000 0.933 509 K CB -0.662 31.534 32.500 -0.507 0.000 0.714 509 K HN 0.614 nan 8.250 nan 0.000 0.438 510 R N 0.072 120.485 120.500 -0.146 0.000 2.103 510 R HA -0.225 4.115 4.340 -0.000 0.000 0.242 510 R C 2.578 178.840 176.300 -0.064 0.000 1.142 510 R CA 2.168 58.218 56.100 -0.085 0.000 0.960 510 R CB -0.238 30.020 30.300 -0.070 0.000 0.858 510 R HN 0.695 nan 8.270 nan 0.000 0.439 511 Q N -0.678 119.081 119.800 -0.069 0.000 2.079 511 Q HA -0.083 4.257 4.340 -0.000 0.000 0.200 511 Q C 1.989 177.963 176.000 -0.045 0.000 0.974 511 Q CA 1.590 57.364 55.803 -0.049 0.000 0.840 511 Q CB -0.042 28.668 28.738 -0.047 0.000 0.898 511 Q HN 0.505 nan 8.270 nan 0.000 0.430 512 A N 0.419 123.205 122.820 -0.056 0.000 2.015 512 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 512 A C 1.676 179.239 177.584 -0.035 0.000 1.163 512 A CA 1.330 53.342 52.037 -0.042 0.000 0.646 512 A CB -0.297 18.675 19.000 -0.046 0.000 0.806 512 A HN 0.399 nan 8.150 nan 0.000 0.448 513 E N -0.660 119.515 120.200 -0.041 0.000 2.028 513 E HA -0.198 4.152 4.350 -0.000 0.000 0.190 513 E C 2.035 178.620 176.600 -0.026 0.000 0.984 513 E CA 1.246 57.628 56.400 -0.030 0.000 0.800 513 E CB -0.128 29.554 29.700 -0.030 0.000 0.758 513 E HN 0.737 nan 8.360 nan 0.000 0.448 514 E N 1.206 121.390 120.200 -0.027 0.000 2.160 514 E HA -0.238 4.112 4.350 -0.000 0.000 0.195 514 E C 1.653 178.241 176.600 -0.021 0.000 0.991 514 E CA 1.330 57.716 56.400 -0.023 0.000 0.810 514 E CB 0.070 29.757 29.700 -0.022 0.000 0.742 514 E HN 0.033 nan 8.360 nan 0.000 0.466 515 E N -0.671 119.516 120.200 -0.021 0.000 2.478 515 E HA 0.078 4.427 4.350 -0.000 0.000 0.194 515 E C 0.500 177.089 176.600 -0.017 0.000 1.045 515 E CA 1.167 57.557 56.400 -0.017 0.000 0.868 515 E CB 0.266 29.956 29.700 -0.016 0.000 0.885 515 E HN 0.288 nan 8.360 nan 0.000 0.505 516 K N -0.363 120.025 120.400 -0.020 0.000 3.160 516 K HA -0.263 4.057 4.320 -0.000 0.000 0.280 516 K C 0.261 176.853 176.600 -0.013 0.000 1.154 516 K CA 1.758 58.033 56.287 -0.020 0.000 0.822 516 K CB -3.012 29.473 32.500 -0.026 0.000 1.239 516 K HN 0.268 nan 8.250 nan 0.000 0.489 517 M N -0.334 119.259 119.600 -0.012 0.000 2.219 517 M HA 0.631 5.111 4.480 -0.000 0.000 0.280 517 M C 1.249 177.546 176.300 -0.004 0.000 1.189 517 M CA -0.154 55.142 55.300 -0.007 0.000 1.010 517 M CB 1.423 34.018 32.600 -0.008 0.000 1.422 517 M HN 0.604 nan 8.290 nan 0.000 0.504 518 A N 1.353 124.174 122.820 0.001 0.000 2.524 518 A HA 0.341 4.661 4.320 -0.000 0.000 0.250 518 A C -0.338 177.250 177.584 0.006 0.000 1.078 518 A CA -0.366 51.675 52.037 0.007 0.000 0.761 518 A CB -0.513 18.494 19.000 0.011 0.000 1.012 518 A HN 0.623 nan 8.150 nan 0.000 0.500 519 L N 4.467 125.697 121.223 0.011 0.000 2.483 519 L HA 0.209 4.549 4.340 -0.000 0.000 0.276 519 L C -1.244 175.650 176.870 0.039 0.000 1.213 519 L CA -0.430 54.416 54.840 0.011 0.000 0.843 519 L CB -0.253 41.823 42.059 0.027 0.000 1.107 519 L HN 0.589 nan 8.230 nan 0.000 0.487 520 P HA 0.054 nan 4.420 nan 0.000 0.272 520 P C -0.624 176.798 177.300 0.202 0.000 1.230 520 P CA -0.607 62.556 63.100 0.106 0.000 0.788 520 P CB 0.475 32.231 31.700 0.093 0.000 0.949 521 E N 0.334 120.626 120.200 0.153 0.000 2.414 521 E HA 0.048 4.398 4.350 -0.000 0.000 0.263 521 E C -0.299 176.371 176.600 0.115 0.000 1.000 521 E CA -0.553 55.913 56.400 0.110 0.000 0.914 521 E CB 0.307 30.037 29.700 0.050 0.000 0.948 521 E HN 0.251 nan 8.360 nan 0.000 0.444 522 L N 4.921 126.143 121.223 -0.002 0.000 2.426 522 L HA 0.158 4.498 4.340 -0.000 0.000 0.271 522 L C -1.068 175.498 176.870 -0.506 0.000 1.169 522 L CA 0.168 54.849 54.840 -0.266 0.000 0.836 522 L CB 1.133 43.119 42.059 -0.122 0.000 1.112 522 L HN 0.260 nan 8.230 nan 0.000 0.465 523 V N 5.909 125.181 119.914 -1.071 0.000 2.656 523 V HA 0.608 4.728 4.120 -0.000 0.000 0.307 523 V C -0.117 175.690 176.094 -0.479 0.000 1.051 523 V CA -0.758 61.153 62.300 -0.648 0.000 0.893 523 V CB 1.894 33.393 31.823 -0.540 0.000 0.999 523 V HN 0.771 nan 8.190 nan 0.000 0.426 524 R N 2.248 122.608 120.500 -0.233 0.000 2.711 524 R HA 0.769 5.109 4.340 -0.000 0.000 0.284 524 R C -0.147 176.108 176.300 -0.075 0.000 0.968 524 R CA -0.694 55.330 56.100 -0.127 0.000 0.924 524 R CB 1.985 32.233 30.300 -0.087 0.000 1.162 524 R HN 0.852 nan 8.270 nan 0.000 0.465 525 A N 2.325 125.123 122.820 -0.038 0.000 2.545 525 A HA -0.062 4.258 4.320 -0.000 0.000 0.253 525 A C -0.058 177.512 177.584 -0.023 0.000 1.074 525 A CA 0.365 52.391 52.037 -0.019 0.000 0.760 525 A CB 0.074 19.071 19.000 -0.004 0.000 1.005 525 A HN 0.598 nan 8.150 nan 0.000 0.506 526 Q N 3.105 122.893 119.800 -0.021 0.000 2.406 526 Q HA 0.386 4.726 4.340 -0.000 0.000 0.242 526 Q C -1.224 174.769 176.000 -0.011 0.000 1.036 526 Q CA -0.190 55.602 55.803 -0.019 0.000 0.904 526 Q CB 0.676 29.401 28.738 -0.022 0.000 1.244 526 Q HN 0.547 nan 8.270 nan 0.000 0.478 527 V N 6.927 126.837 119.914 -0.007 0.000 2.407 527 V HA 0.324 4.444 4.120 -0.000 0.000 0.278 527 V C -2.139 173.960 176.094 0.007 0.000 1.037 527 V CA -1.867 60.431 62.300 -0.004 0.000 0.900 527 V CB 1.281 33.100 31.823 -0.006 0.000 0.983 527 V HN 0.696 nan 8.190 nan 0.000 0.459 528 P HA 0.106 nan 4.420 nan 0.000 0.271 528 P C 0.397 177.721 177.300 0.039 0.000 1.216 528 P CA -0.165 62.949 63.100 0.023 0.000 0.776 528 P CB 0.490 32.191 31.700 0.002 0.000 0.881 529 F N 3.284 123.192 119.950 -0.069 0.000 2.146 529 F HA -0.209 4.318 4.527 -0.000 0.000 0.298 529 F C 2.198 177.956 175.800 -0.069 0.000 1.096 529 F CA 2.169 60.116 58.000 -0.088 0.000 1.275 529 F CB -0.779 38.151 39.000 -0.117 0.000 1.008 529 F HN 0.317 nan 8.300 nan 0.000 0.480 530 S N -0.597 115.012 115.700 -0.151 0.000 2.407 530 S HA -0.257 4.213 4.470 -0.000 0.000 0.235 530 S C 2.093 176.551 174.600 -0.236 0.000 1.036 530 S CA 1.709 59.778 58.200 -0.217 0.000 1.013 530 S CB -1.153 62.013 63.200 -0.057 0.000 0.820 530 S HN 0.446 nan 8.310 nan 0.000 0.476 531 S N 0.942 116.540 115.700 -0.170 0.000 2.357 531 S HA -0.035 4.435 4.470 -0.000 0.000 0.221 531 S C 2.206 176.713 174.600 -0.154 0.000 1.031 531 S CA 0.986 59.111 58.200 -0.124 0.000 0.982 531 S CB -0.833 62.325 63.200 -0.070 0.000 0.853 531 S HN 0.762 nan 8.310 nan 0.000 0.458 532 C N 1.639 120.814 119.300 -0.209 0.000 2.413 532 C HA -0.032 4.428 4.460 -0.000 0.000 0.276 532 C C 2.499 177.348 174.990 -0.236 0.000 1.236 532 C CA 0.419 59.319 59.018 -0.197 0.000 1.735 532 C CB -1.505 26.118 27.740 -0.195 0.000 2.031 532 C HN 0.510 nan 8.230 nan 0.000 0.474 533 L N 0.450 121.380 121.223 -0.489 0.000 2.017 533 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 533 L C 2.710 179.508 176.870 -0.121 0.000 1.073 533 L CA 1.782 56.390 54.840 -0.387 0.000 0.745 533 L CB -0.700 40.988 42.059 -0.619 0.000 0.894 533 L HN 0.484 nan 8.230 nan 0.000 0.432 534 E N -0.317 119.801 120.200 -0.137 0.000 2.049 534 E HA -0.274 4.076 4.350 -0.000 0.000 0.198 534 E C 2.164 178.755 176.600 -0.015 0.000 1.007 534 E CA 1.523 57.890 56.400 -0.056 0.000 0.809 534 E CB -0.172 29.489 29.700 -0.064 0.000 0.749 534 E HN 0.553 nan 8.360 nan 0.000 0.450 535 A N 0.372 123.178 122.820 -0.024 0.000 1.948 535 A HA -0.254 4.066 4.320 -0.000 0.000 0.220 535 A C 2.022 179.623 177.584 0.027 0.000 1.177 535 A CA 1.665 53.700 52.037 -0.004 0.000 0.636 535 A CB -0.909 18.087 19.000 -0.006 0.000 0.815 535 A HN 0.449 nan 8.150 nan 0.000 0.449 536 Y N 0.513 120.778 120.300 -0.058 0.000 2.081 536 Y HA -0.160 4.390 4.550 -0.000 0.000 0.280 536 Y C 2.528 178.419 175.900 -0.014 0.000 1.163 536 Y CA 1.923 60.006 58.100 -0.027 0.000 1.135 536 Y CB -0.691 37.760 38.460 -0.016 0.000 0.970 536 Y HN 0.244 nan 8.280 nan 0.000 0.498 537 G N -0.367 108.502 108.800 0.115 0.000 2.464 537 G HA2 0.053 4.013 3.960 -0.000 0.000 0.217 537 G HA3 0.053 4.013 3.960 -0.000 0.000 0.217 537 G C 0.636 175.525 174.900 -0.017 0.000 1.138 537 G CA 0.269 45.407 45.100 0.063 0.000 0.793 537 G HN 0.609 nan 8.290 nan 0.000 0.539 538 A N 1.700 124.505 122.820 -0.026 0.000 2.540 538 A HA 0.451 4.771 4.320 -0.000 0.000 0.239 538 A C -1.593 175.956 177.584 -0.059 0.000 1.061 538 A CA -0.712 51.304 52.037 -0.035 0.000 0.758 538 A CB -0.021 18.960 19.000 -0.031 0.000 0.991 538 A HN 0.252 nan 8.150 nan 0.000 0.502 539 P HA 0.136 nan 4.420 nan 0.000 0.269 539 P C -0.493 176.766 177.300 -0.068 0.000 1.209 539 P CA 0.102 63.161 63.100 -0.068 0.000 0.776 539 P CB 0.725 32.390 31.700 -0.058 0.000 0.876 540 E N 1.228 121.379 120.200 -0.081 0.000 2.256 540 E HA 0.144 4.494 4.350 -0.000 0.000 0.268 540 E C -0.897 175.659 176.600 -0.073 0.000 0.877 540 E CA -0.688 55.669 56.400 -0.070 0.000 0.757 540 E CB 1.826 31.479 29.700 -0.079 0.000 1.183 540 E HN 0.381 nan 8.360 nan 0.000 0.418 541 Q N 2.494 122.263 119.800 -0.052 0.000 2.288 541 Q HA 0.340 4.680 4.340 -0.000 0.000 0.254 541 Q C -1.173 174.803 176.000 -0.041 0.000 0.932 541 Q CA -0.346 55.427 55.803 -0.049 0.000 0.902 541 Q CB 1.206 29.927 28.738 -0.028 0.000 1.203 541 Q HN 0.277 nan 8.270 nan 0.000 0.415 542 V N 4.397 124.281 119.914 -0.051 0.000 2.483 542 V HA 0.281 4.401 4.120 -0.000 0.000 0.297 542 V C -0.754 175.360 176.094 0.034 0.000 1.027 542 V CA -0.952 61.337 62.300 -0.019 0.000 0.855 542 V CB 1.846 33.636 31.823 -0.053 0.000 0.995 542 V HN 0.788 nan 8.190 nan 0.000 0.424 543 D N 2.487 122.925 120.400 0.063 0.000 2.332 543 D HA 0.341 4.981 4.640 -0.000 0.000 0.252 543 D C 0.297 176.679 176.300 0.137 0.000 1.050 543 D CA -0.061 53.994 54.000 0.091 0.000 0.970 543 D CB 1.008 41.847 40.800 0.065 0.000 1.141 543 D HN 0.722 nan 8.370 nan 0.000 0.485 544 D N -0.024 120.464 120.400 0.146 0.000 2.705 544 D HA -0.248 4.392 4.640 -0.000 0.000 0.240 544 D C -1.281 175.166 176.300 0.245 0.000 1.137 544 D CA 0.340 54.439 54.000 0.165 0.000 0.677 544 D CB -1.467 39.409 40.800 0.127 0.000 1.049 544 D HN 0.270 nan 8.370 nan 0.000 0.427 545 F N 1.009 121.023 119.950 0.108 0.000 2.427 545 F HA 0.474 5.001 4.527 -0.000 0.000 0.346 545 F C -0.403 175.512 175.800 0.192 0.000 1.120 545 F CA -1.133 56.948 58.000 0.135 0.000 1.033 545 F CB 0.815 39.853 39.000 0.064 0.000 1.126 545 F HN 0.142 nan 8.300 nan 0.000 0.462 546 W N 7.492 128.369 121.300 -0.705 0.000 2.485 546 W HA 0.254 4.914 4.660 -0.000 0.000 0.315 546 W C -0.662 175.179 176.519 -1.130 0.000 1.304 546 W CA -0.357 56.610 57.345 -0.629 0.000 1.345 546 W CB 1.247 30.598 29.460 -0.181 0.000 1.368 546 W HN 0.575 nan 8.180 nan 0.000 0.497 547 S N 4.104 119.088 115.700 -1.195 0.000 2.430 547 S HA 0.079 4.549 4.470 -0.000 0.000 0.289 547 S C 1.494 175.629 174.600 -0.776 0.000 1.143 547 S CA 0.043 57.807 58.200 -0.727 0.000 1.067 547 S CB 0.963 63.993 63.200 -0.283 0.000 0.964 547 S HN 0.576 nan 8.310 nan 0.000 0.485 548 T N 3.262 117.620 114.554 -0.327 0.000 2.962 548 T HA -0.038 4.312 4.350 -0.000 0.000 0.270 548 T C 1.869 176.504 174.700 -0.107 0.000 1.088 548 T CA 0.952 62.992 62.100 -0.100 0.000 1.127 548 T CB -0.383 68.550 68.868 0.108 0.000 0.883 548 T HN 0.636 nan 8.240 nan 0.000 0.493 549 A N 1.572 124.327 122.820 -0.109 0.000 1.873 549 A HA 0.197 4.517 4.320 -0.000 0.000 0.215 549 A C 2.249 179.750 177.584 -0.138 0.000 1.186 549 A CA 1.037 53.027 52.037 -0.078 0.000 0.616 549 A CB -0.746 18.233 19.000 -0.035 0.000 0.823 549 A HN 0.418 nan 8.150 nan 0.000 0.442 550 L N -0.823 120.261 121.223 -0.231 0.000 2.240 550 L HA 0.001 4.341 4.340 -0.000 0.000 0.211 550 L C 0.807 177.466 176.870 -0.352 0.000 1.106 550 L CA 1.384 56.065 54.840 -0.265 0.000 0.793 550 L CB -1.281 40.605 42.059 -0.287 0.000 0.927 550 L HN 0.596 nan 8.230 nan 0.000 0.446 551 Q N -0.965 118.527 119.800 -0.513 0.000 2.452 551 Q HA -0.167 4.173 4.340 -0.000 0.000 0.318 551 Q C -0.126 175.369 176.000 -0.842 0.000 1.386 551 Q CA 0.507 55.971 55.803 -0.566 0.000 0.872 551 Q CB -1.654 27.039 28.738 -0.074 0.000 1.151 551 Q HN 0.495 nan 8.270 nan 0.000 0.417 552 A N 0.032 122.023 122.820 -1.381 0.000 2.594 552 A HA 0.554 4.874 4.320 -0.000 0.000 0.296 552 A C -0.960 176.209 177.584 -0.692 0.000 1.061 552 A CA -1.030 50.522 52.037 -0.808 0.000 0.689 552 A CB 1.179 19.968 19.000 -0.353 0.000 1.280 552 A HN 0.030 nan 8.150 nan 0.000 0.406 553 K N 1.194 121.518 120.400 -0.126 0.000 2.447 553 K HA 0.377 4.696 4.320 -0.000 0.000 0.281 553 K C 0.317 176.896 176.600 -0.035 0.000 1.031 553 K CA 0.532 56.839 56.287 0.034 0.000 1.019 553 K CB 1.066 33.665 32.500 0.165 0.000 0.918 553 K HN 0.733 nan 8.250 nan 0.000 0.476 554 S N 1.341 117.046 115.700 0.008 0.000 3.642 554 S HA 0.554 5.024 4.470 -0.000 0.000 0.312 554 S C -1.325 173.380 174.600 0.175 0.000 1.117 554 S CA -0.672 57.566 58.200 0.064 0.000 1.104 554 S CB 1.155 64.369 63.200 0.023 0.000 1.397 554 S HN 0.203 nan 8.310 nan 0.000 0.756 555 V N 1.352 121.360 119.914 0.157 0.000 2.588 555 V HA 0.848 4.968 4.120 -0.000 0.000 0.304 555 V C -0.075 176.034 176.094 0.024 0.000 1.042 555 V CA -0.233 62.130 62.300 0.106 0.000 0.877 555 V CB 0.986 32.834 31.823 0.041 0.000 0.996 555 V HN 0.980 nan 8.190 nan 0.000 0.425 556 A N 4.448 127.191 122.820 -0.127 0.000 2.330 556 A HA 0.909 5.229 4.320 -0.000 0.000 0.329 556 A C -0.945 176.486 177.584 -0.255 0.000 1.135 556 A CA -0.607 51.191 52.037 -0.397 0.000 0.817 556 A CB 1.842 20.222 19.000 -1.033 0.000 1.269 556 A HN 0.662 nan 8.150 nan 0.000 0.469 557 V N 1.811 121.571 119.914 -0.257 0.000 2.350 557 V HA 0.345 4.465 4.120 -0.000 0.000 0.285 557 V C 0.058 176.026 176.094 -0.211 0.000 1.014 557 V CA -0.450 61.739 62.300 -0.185 0.000 0.831 557 V CB 1.066 32.809 31.823 -0.134 0.000 1.000 557 V HN 0.893 nan 8.190 nan 0.000 0.433 558 K N 2.567 122.855 120.400 -0.186 0.000 2.159 558 K HA 0.687 5.006 4.320 -0.000 0.000 0.266 558 K C -0.409 176.098 176.600 -0.156 0.000 0.975 558 K CA -0.204 55.973 56.287 -0.184 0.000 0.865 558 K CB 1.646 34.048 32.500 -0.163 0.000 1.087 558 K HN 0.713 nan 8.250 nan 0.000 0.446 559 T N 1.349 115.807 114.554 -0.160 0.000 2.903 559 T HA 0.412 4.762 4.350 -0.000 0.000 0.299 559 T C -1.338 173.276 174.700 -0.143 0.000 1.093 559 T CA -0.452 61.566 62.100 -0.138 0.000 1.002 559 T CB 1.601 70.409 68.868 -0.101 0.000 1.127 559 T HN 0.516 nan 8.240 nan 0.000 0.488 560 T N 4.717 119.168 114.554 -0.171 0.000 2.824 560 T HA 0.724 5.074 4.350 -0.000 0.000 0.282 560 T C -0.707 173.943 174.700 -0.083 0.000 0.993 560 T CA -0.827 61.162 62.100 -0.184 0.000 0.967 560 T CB 0.913 69.573 68.868 -0.346 0.000 0.960 560 T HN 0.413 nan 8.240 nan 0.000 0.441 561 R N 1.356 121.843 120.500 -0.022 0.000 2.855 561 R HA 0.487 4.827 4.340 -0.000 0.000 0.266 561 R C -1.374 174.929 176.300 0.006 0.000 1.034 561 R CA -0.893 55.263 56.100 0.092 0.000 0.944 561 R CB 1.178 31.555 30.300 0.128 0.000 1.219 561 R HN 0.484 nan 8.270 nan 0.000 0.474 562 F N 0.407 120.386 119.950 0.049 0.000 2.424 562 F HA 0.300 4.827 4.527 -0.000 0.000 0.356 562 F C 1.283 176.964 175.800 -0.199 0.000 1.110 562 F CA -0.169 57.765 58.000 -0.109 0.000 1.161 562 F CB 1.382 40.085 39.000 -0.496 0.000 1.115 562 F HN 0.681 nan 8.300 nan 0.000 0.507 563 A N 2.531 125.380 122.820 0.049 0.000 2.278 563 A HA 0.392 4.712 4.320 -0.000 0.000 0.212 563 A C 0.447 178.013 177.584 -0.030 0.000 1.213 563 A CA 0.701 52.738 52.037 0.000 0.000 0.840 563 A CB -0.302 18.712 19.000 0.023 0.000 0.866 563 A HN 0.641 nan 8.150 nan 0.000 0.489 564 S N -1.240 114.413 115.700 -0.078 0.000 2.669 564 S HA 0.524 4.994 4.470 -0.000 0.000 0.304 564 S C -1.408 173.151 174.600 -0.069 0.000 1.021 564 S CA -0.673 57.502 58.200 -0.042 0.000 0.854 564 S CB -0.133 63.143 63.200 0.127 0.000 1.048 564 S HN 0.227 nan 8.310 nan 0.000 0.452 565 F N 3.934 123.981 119.950 0.162 0.000 2.458 565 F HA 0.636 5.163 4.527 -0.000 0.000 0.336 565 F C -1.894 174.001 175.800 0.159 0.000 1.114 565 F CA -1.948 56.091 58.000 0.065 0.000 0.987 565 F CB 2.475 41.461 39.000 -0.023 0.000 1.130 565 F HN 0.413 nan 8.300 nan 0.000 0.458 566 P HA 0.169 nan 4.420 nan 0.000 0.281 566 P C -0.359 177.172 177.300 0.386 0.000 1.264 566 P CA -0.358 62.984 63.100 0.403 0.000 0.824 566 P CB 1.513 33.505 31.700 0.487 0.000 1.092 567 D N -0.634 119.956 120.400 0.316 0.000 2.144 567 D HA -0.094 4.546 4.640 -0.000 0.000 0.199 567 D C 0.024 176.442 176.300 0.197 0.000 0.984 567 D CA 1.923 56.054 54.000 0.220 0.000 0.834 567 D CB -0.255 40.682 40.800 0.229 0.000 0.955 567 D HN 0.450 nan 8.370 nan 0.000 0.465 568 Y N -0.361 120.125 120.300 0.309 0.000 2.338 568 Y HA 0.345 4.895 4.550 -0.000 0.000 0.333 568 Y C -0.351 175.817 175.900 0.447 0.000 0.968 568 Y CA -1.248 57.081 58.100 0.381 0.000 1.123 568 Y CB 1.809 40.492 38.460 0.371 0.000 1.165 568 Y HN -0.233 nan 8.280 nan 0.000 0.452 569 L N 4.825 126.232 121.223 0.307 0.000 2.289 569 L HA 0.638 4.978 4.340 -0.000 0.000 0.285 569 L C -1.032 175.926 176.870 0.148 0.000 1.049 569 L CA -0.530 54.351 54.840 0.068 0.000 0.804 569 L CB 1.019 42.742 42.059 -0.561 0.000 1.195 569 L HN 0.402 nan 8.230 nan 0.000 0.428 570 V N 6.885 126.866 119.914 0.112 0.000 2.394 570 V HA 0.462 4.582 4.120 -0.000 0.000 0.282 570 V C 0.120 176.152 176.094 -0.102 0.000 1.031 570 V CA -0.383 61.814 62.300 -0.172 0.000 0.881 570 V CB 1.307 32.925 31.823 -0.342 0.000 0.982 570 V HN 0.592 nan 8.190 nan 0.000 0.451 571 I N 4.432 124.920 120.570 -0.137 0.000 2.436 571 I HA 0.438 4.608 4.170 -0.000 0.000 0.289 571 I C -0.215 175.881 176.117 -0.035 0.000 1.010 571 I CA -0.414 60.870 61.300 -0.027 0.000 1.098 571 I CB 1.857 39.874 38.000 0.027 0.000 1.266 571 I HN 0.594 nan 8.210 nan 0.000 0.434 572 Q N 6.333 126.123 119.800 -0.016 0.000 2.290 572 Q HA 0.425 4.765 4.340 -0.000 0.000 0.259 572 Q C -0.878 175.158 176.000 0.059 0.000 0.941 572 Q CA -0.808 54.983 55.803 -0.020 0.000 0.912 572 Q CB 1.451 30.185 28.738 -0.007 0.000 1.244 572 Q HN 0.512 nan 8.270 nan 0.000 0.441 573 I N 4.407 125.049 120.570 0.120 0.000 2.379 573 I HA 0.063 4.233 4.170 -0.000 0.000 0.290 573 I C 0.345 176.431 176.117 -0.051 0.000 1.063 573 I CA 0.155 61.505 61.300 0.084 0.000 1.351 573 I CB 0.665 38.763 38.000 0.164 0.000 1.410 573 I HN 0.597 nan 8.210 nan 0.000 0.505 574 K N 6.208 126.507 120.400 -0.169 0.000 2.989 574 K HA -0.002 4.318 4.320 -0.000 0.000 0.264 574 K C 0.557 176.713 176.600 -0.739 0.000 1.228 574 K CA -0.009 55.963 56.287 -0.524 0.000 1.186 574 K CB -0.310 32.103 32.500 -0.144 0.000 1.409 574 K HN 0.469 nan 8.250 nan 0.000 0.271 575 K N 1.327 121.300 120.400 -0.712 0.000 3.000 575 K HA 0.075 4.395 4.320 -0.000 0.000 0.265 575 K C -0.681 175.656 176.600 -0.438 0.000 1.260 575 K CA -0.175 55.853 56.287 -0.431 0.000 1.209 575 K CB -0.550 31.834 32.500 -0.194 0.000 1.484 575 K HN 0.025 nan 8.250 nan 0.000 0.283 576 F N -2.702 117.230 119.950 -0.029 0.000 2.668 576 F HA 0.719 5.245 4.527 -0.000 0.000 0.309 576 F C -0.571 175.176 175.800 -0.088 0.000 1.117 576 F CA -1.245 56.705 58.000 -0.083 0.000 0.951 576 F CB 1.469 40.392 39.000 -0.128 0.000 1.323 576 F HN -0.021 nan 8.300 nan 0.000 0.451 577 T N -0.068 114.569 114.554 0.140 0.000 2.718 577 T HA 0.572 4.922 4.350 -0.000 0.000 0.306 577 T C -2.033 172.621 174.700 -0.078 0.000 1.485 577 T CA -0.779 61.344 62.100 0.039 0.000 0.997 577 T CB 0.830 69.754 68.868 0.094 0.000 1.504 577 T HN 0.510 nan 8.240 nan 0.000 0.497 578 F N 1.469 121.514 119.950 0.159 0.000 2.410 578 F HA 0.565 5.092 4.527 -0.000 0.000 0.348 578 F C 1.385 177.206 175.800 0.036 0.000 1.106 578 F CA 0.040 58.130 58.000 0.150 0.000 1.163 578 F CB 1.209 40.395 39.000 0.308 0.000 1.129 578 F HN 0.675 nan 8.300 nan 0.000 0.516 579 G N 3.186 112.123 108.800 0.228 0.000 2.510 579 G HA2 0.513 4.473 3.960 -0.000 0.000 0.280 579 G HA3 0.513 4.473 3.960 -0.000 0.000 0.280 579 G C -0.471 174.406 174.900 -0.037 0.000 1.386 579 G CA -0.911 44.235 45.100 0.077 0.000 1.047 579 G HN 0.506 nan 8.290 nan 0.000 0.527 580 L N -0.477 120.699 121.223 -0.079 0.000 2.473 580 L HA 0.165 4.505 4.340 -0.000 0.000 0.268 580 L C 0.609 177.395 176.870 -0.140 0.000 1.215 580 L CA 0.014 54.754 54.840 -0.167 0.000 0.823 580 L CB 0.322 42.316 42.059 -0.107 0.000 1.099 580 L HN 0.493 nan 8.230 nan 0.000 0.483 581 D N 0.426 120.696 120.400 -0.217 0.000 2.955 581 D HA -0.273 4.367 4.640 -0.000 0.000 0.226 581 D C -0.133 176.210 176.300 0.072 0.000 1.178 581 D CA 1.194 55.142 54.000 -0.087 0.000 0.808 581 D CB -1.072 39.732 40.800 0.007 0.000 1.099 581 D HN 0.711 nan 8.370 nan 0.000 0.421 582 W N -2.725 118.577 121.300 0.003 0.000 4.435 582 W HA -0.267 4.393 4.660 -0.000 0.000 0.351 582 W C 0.660 177.295 176.519 0.194 0.000 1.319 582 W CA 0.314 57.650 57.345 -0.014 0.000 0.791 582 W CB -2.083 27.248 29.460 -0.215 0.000 2.419 582 W HN 0.244 nan 8.180 nan 0.000 1.406 583 V N -0.840 119.275 119.914 0.335 0.000 2.546 583 V HA 0.670 4.790 4.120 -0.000 0.000 0.284 583 V C -1.653 174.619 176.094 0.295 0.000 1.050 583 V CA -2.453 60.012 62.300 0.275 0.000 0.981 583 V CB 1.132 33.042 31.823 0.144 0.000 0.990 583 V HN -0.139 nan 8.190 nan 0.000 0.474 584 P HA 0.353 nan 4.420 nan 0.000 0.276 584 P C -0.922 176.392 177.300 0.023 0.000 1.235 584 P CA -0.029 63.080 63.100 0.015 0.000 0.772 584 P CB 0.367 32.014 31.700 -0.089 0.000 0.871 585 K N 2.606 123.017 120.400 0.018 0.000 2.235 585 K HA 0.250 4.570 4.320 -0.000 0.000 0.266 585 K C 0.157 176.784 176.600 0.046 0.000 0.980 585 K CA -0.851 55.459 56.287 0.039 0.000 0.849 585 K CB 1.363 33.894 32.500 0.051 0.000 1.098 585 K HN 0.295 nan 8.250 nan 0.000 0.445 586 K N 4.179 124.601 120.400 0.037 0.000 2.368 586 K HA 0.092 4.412 4.320 -0.000 0.000 0.282 586 K C -0.583 176.033 176.600 0.026 0.000 1.035 586 K CA -0.230 56.076 56.287 0.032 0.000 0.973 586 K CB 0.400 32.910 32.500 0.016 0.000 0.957 586 K HN 0.501 nan 8.250 nan 0.000 0.474 587 L N 4.566 125.791 121.223 0.005 0.000 2.363 587 L HA 0.077 4.416 4.340 -0.000 0.000 0.286 587 L C 0.099 176.965 176.870 -0.007 0.000 1.106 587 L CA -0.421 54.417 54.840 -0.003 0.000 0.859 587 L CB 0.402 42.447 42.059 -0.024 0.000 1.223 587 L HN 0.655 nan 8.230 nan 0.000 0.446 588 D N 3.841 124.247 120.400 0.011 0.000 2.435 588 D HA 0.230 4.870 4.640 -0.000 0.000 0.230 588 D C -0.788 175.511 176.300 -0.002 0.000 1.215 588 D CA 0.199 54.205 54.000 0.011 0.000 0.947 588 D CB 0.856 41.669 40.800 0.022 0.000 1.048 588 D HN 0.088 nan 8.370 nan 0.000 0.512 589 V N 2.199 122.112 119.914 -0.003 0.000 2.914 589 V HA 0.512 4.632 4.120 -0.000 0.000 0.314 589 V C -0.689 175.402 176.094 -0.005 0.000 1.084 589 V CA -0.764 61.531 62.300 -0.008 0.000 0.963 589 V CB 2.305 34.123 31.823 -0.009 0.000 1.025 589 V HN 0.463 nan 8.190 nan 0.000 0.432 590 S N 5.516 121.208 115.700 -0.014 0.000 2.594 590 S HA 0.662 5.132 4.470 -0.000 0.000 0.322 590 S C -0.962 173.630 174.600 -0.013 0.000 1.085 590 S CA -0.493 57.698 58.200 -0.016 0.000 1.116 590 S CB 0.179 63.360 63.200 -0.031 0.000 0.979 590 S HN 0.498 nan 8.310 nan 0.000 0.465 591 I N 3.728 124.291 120.570 -0.011 0.000 2.448 591 I HA 0.297 4.467 4.170 -0.000 0.000 0.281 591 I C -0.287 175.795 176.117 -0.058 0.000 1.027 591 I CA -0.641 60.653 61.300 -0.010 0.000 1.111 591 I CB 1.703 39.708 38.000 0.007 0.000 1.236 591 I HN 0.518 nan 8.210 nan 0.000 0.452 592 E N 7.432 127.598 120.200 -0.057 0.000 1.985 592 E HA 0.138 4.488 4.350 -0.000 0.000 0.268 592 E C -0.345 176.131 176.600 -0.206 0.000 1.219 592 E CA -0.063 56.269 56.400 -0.115 0.000 0.942 592 E CB 0.313 29.966 29.700 -0.077 0.000 1.045 592 E HN 0.305 nan 8.360 nan 0.000 0.413 593 M N 5.983 125.383 119.600 -0.333 0.000 2.219 593 M HA 0.224 4.704 4.480 -0.000 0.000 0.353 593 M C -2.005 174.063 176.300 -0.386 0.000 1.304 593 M CA -2.077 52.890 55.300 -0.554 0.000 1.115 593 M CB 0.331 32.495 32.600 -0.728 0.000 1.664 593 M HN 0.268 nan 8.290 nan 0.000 0.459 594 P HA 0.113 nan 4.420 nan 0.000 0.272 594 P C 0.280 177.582 177.300 0.003 0.000 1.223 594 P CA -0.169 62.796 63.100 -0.226 0.000 0.784 594 P CB 0.633 32.162 31.700 -0.285 0.000 0.923 595 E N 0.355 120.583 120.200 0.046 0.000 2.274 595 E HA -0.068 4.282 4.350 -0.000 0.000 0.194 595 E C -0.054 176.659 176.600 0.188 0.000 0.996 595 E CA 1.015 57.502 56.400 0.146 0.000 0.840 595 E CB 0.296 30.077 29.700 0.135 0.000 0.772 595 E HN 0.580 nan 8.360 nan 0.000 0.491 596 E N 0.776 121.041 120.200 0.108 0.000 2.224 596 E HA 0.385 4.735 4.350 -0.000 0.000 0.265 596 E C -0.861 175.746 176.600 0.011 0.000 0.878 596 E CA -0.319 56.132 56.400 0.084 0.000 0.759 596 E CB 2.452 32.178 29.700 0.043 0.000 1.164 596 E HN -0.018 nan 8.360 nan 0.000 0.414 597 L N 2.908 124.130 121.223 -0.001 0.000 2.349 597 L HA 0.335 4.675 4.340 -0.000 0.000 0.278 597 L C -1.146 175.680 176.870 -0.072 0.000 0.996 597 L CA -0.754 54.015 54.840 -0.119 0.000 0.825 597 L CB 1.524 43.349 42.059 -0.390 0.000 1.243 597 L HN 0.466 nan 8.230 nan 0.000 0.412 598 D N 4.761 125.116 120.400 -0.075 0.000 2.392 598 D HA 0.250 4.890 4.640 -0.000 0.000 0.228 598 D C 0.060 176.278 176.300 -0.135 0.000 1.074 598 D CA -0.006 53.928 54.000 -0.110 0.000 0.838 598 D CB 1.418 42.171 40.800 -0.078 0.000 1.067 598 D HN 0.467 nan 8.370 nan 0.000 0.511 599 I N 2.660 123.076 120.570 -0.256 0.000 3.936 599 I HA -0.019 4.151 4.170 -0.000 0.000 0.330 599 I C 1.469 177.428 176.117 -0.263 0.000 1.509 599 I CA 0.170 61.305 61.300 -0.276 0.000 1.126 599 I CB 0.184 37.948 38.000 -0.394 0.000 1.115 599 I HN 0.339 nan 8.210 nan 0.000 0.424 600 S N -0.319 115.247 115.700 -0.223 0.000 2.406 600 S HA -0.171 4.299 4.470 -0.000 0.000 0.228 600 S C 2.137 176.823 174.600 0.142 0.000 1.020 600 S CA 1.090 59.262 58.200 -0.046 0.000 0.965 600 S CB -0.543 62.612 63.200 -0.075 0.000 0.798 600 S HN 0.531 nan 8.310 nan 0.000 0.488 601 Q N 0.564 120.412 119.800 0.079 0.000 2.449 601 Q HA 0.174 4.514 4.340 -0.000 0.000 0.214 601 Q C 1.829 177.928 176.000 0.165 0.000 0.986 601 Q CA 1.407 57.270 55.803 0.100 0.000 0.893 601 Q CB -0.944 27.830 28.738 0.060 0.000 0.940 601 Q HN 0.548 nan 8.270 nan 0.000 0.477 602 L N -0.423 120.955 121.223 0.258 0.000 2.667 602 L HA 0.290 4.630 4.340 -0.000 0.000 0.232 602 L C 0.769 177.898 176.870 0.433 0.000 1.138 602 L CA -0.110 54.947 54.840 0.361 0.000 0.921 602 L CB 0.591 42.911 42.059 0.435 0.000 1.180 602 L HN 0.445 nan 8.230 nan 0.000 0.487 603 R N 0.118 120.843 120.500 0.376 0.000 2.442 603 R HA 0.442 4.782 4.340 -0.000 0.000 0.291 603 R C 0.489 176.868 176.300 0.132 0.000 1.069 603 R CA 0.219 56.433 56.100 0.191 0.000 1.022 603 R CB 0.469 30.888 30.300 0.198 0.000 0.976 603 R HN 0.154 nan 8.270 nan 0.000 0.443 604 G N 1.195 110.046 108.800 0.086 0.000 2.569 604 G HA2 0.192 4.152 3.960 -0.000 0.000 0.249 604 G HA3 0.192 4.152 3.960 -0.000 0.000 0.249 604 G C -0.111 174.815 174.900 0.043 0.000 1.216 604 G CA -0.402 44.748 45.100 0.084 0.000 0.845 604 G HN 0.667 nan 8.290 nan 0.000 0.568 605 T N -0.223 114.352 114.554 0.034 0.000 3.004 605 T HA 0.453 4.803 4.350 -0.000 0.000 0.266 605 T C 1.081 175.710 174.700 -0.117 0.000 0.986 605 T CA 1.243 63.334 62.100 -0.013 0.000 0.902 605 T CB -0.462 68.419 68.868 0.021 0.000 1.118 605 T HN 1.797 nan 8.240 nan 0.000 0.522 606 G N 1.833 110.498 108.800 -0.225 0.000 2.796 606 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.226 606 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.226 606 G C -0.516 173.784 174.900 -1.000 0.000 1.381 606 G CA -0.446 44.306 45.100 -0.579 0.000 0.867 606 G HN 0.508 nan 8.290 nan 0.000 0.552 607 L N 0.406 120.978 121.223 -1.084 0.000 2.514 607 L HA 0.443 4.783 4.340 -0.000 0.000 0.280 607 L C 0.657 177.380 176.870 -0.245 0.000 1.223 607 L CA 0.512 54.987 54.840 -0.609 0.000 0.864 607 L CB 0.579 42.484 42.059 -0.255 0.000 1.118 607 L HN 0.699 nan 8.230 nan 0.000 0.494 608 Q N 4.573 124.324 119.800 -0.081 0.000 2.387 608 Q HA 0.513 4.853 4.340 -0.000 0.000 0.273 608 Q C -2.369 173.630 176.000 -0.002 0.000 1.089 608 Q CA -1.966 53.817 55.803 -0.032 0.000 0.824 608 Q CB 1.359 30.100 28.738 0.005 0.000 1.367 608 Q HN 0.484 nan 8.270 nan 0.000 0.443 609 P HA 0.112 nan 4.420 nan 0.000 0.268 609 P C 0.656 177.965 177.300 0.015 0.000 1.204 609 P CA 0.979 64.082 63.100 0.006 0.000 0.768 609 P CB 0.472 32.173 31.700 0.002 0.000 0.842 610 G N 2.091 110.902 108.800 0.019 0.000 2.358 610 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.224 610 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.224 610 G C 0.052 174.970 174.900 0.030 0.000 1.073 610 G CA -0.396 44.717 45.100 0.021 0.000 0.635 610 G HN 0.560 nan 8.290 nan 0.000 0.509 611 E N 1.991 122.217 120.200 0.042 0.000 2.324 611 E HA 0.384 4.734 4.350 -0.000 0.000 0.271 611 E C -0.079 176.556 176.600 0.059 0.000 1.028 611 E CA 0.098 56.535 56.400 0.061 0.000 0.890 611 E CB 0.538 30.301 29.700 0.104 0.000 1.004 611 E HN 0.570 nan 8.360 nan 0.000 0.431 612 E N 2.659 122.891 120.200 0.053 0.000 2.204 612 E HA 0.160 4.510 4.350 -0.000 0.000 0.276 612 E C -0.579 176.058 176.600 0.062 0.000 0.974 612 E CA -0.460 55.970 56.400 0.049 0.000 0.815 612 E CB 1.609 31.329 29.700 0.035 0.000 1.119 612 E HN 0.410 nan 8.360 nan 0.000 0.393 613 E N 2.192 122.432 120.200 0.067 0.000 2.313 613 E HA 0.190 4.540 4.350 -0.000 0.000 0.272 613 E C -0.760 175.881 176.600 0.069 0.000 1.038 613 E CA -0.488 55.960 56.400 0.079 0.000 0.863 613 E CB 0.777 30.526 29.700 0.083 0.000 1.060 613 E HN 0.331 nan 8.360 nan 0.000 0.402 614 L N 5.958 127.228 121.223 0.078 0.000 2.416 614 L HA 0.233 4.573 4.340 -0.000 0.000 0.272 614 L C -1.945 174.978 176.870 0.087 0.000 1.161 614 L CA -1.683 53.208 54.840 0.084 0.000 0.845 614 L CB 0.392 42.523 42.059 0.120 0.000 1.119 614 L HN 0.514 nan 8.230 nan 0.000 0.464 615 P HA 0.110 nan 4.420 nan 0.000 0.270 615 P C -1.461 175.903 177.300 0.107 0.000 1.223 615 P CA -0.323 62.827 63.100 0.083 0.000 0.785 615 P CB 0.616 32.359 31.700 0.072 0.000 0.923 616 D N 0.560 121.024 120.400 0.108 0.000 2.808 616 D HA 0.566 5.206 4.640 -0.000 0.000 0.249 616 D C 0.222 176.600 176.300 0.131 0.000 1.151 616 D CA -0.647 53.430 54.000 0.129 0.000 1.089 616 D CB -0.384 40.488 40.800 0.120 0.000 1.295 616 D HN 0.240 nan 8.370 nan 0.000 0.631 635 S N 0.115 115.818 115.700 0.005 0.000 2.470 635 S HA -0.022 4.448 4.470 -0.000 0.000 0.225 635 S C 1.485 176.095 174.600 0.016 0.000 1.006 635 S CA 0.959 59.165 58.200 0.010 0.000 0.934 635 S CB 0.249 63.454 63.200 0.008 0.000 0.778 635 S HN 0.335 nan 8.310 nan 0.000 0.517 636 V N 1.832 121.754 119.914 0.013 0.000 2.283 636 V HA -0.075 4.045 4.120 -0.000 0.000 0.243 636 V C 2.172 178.285 176.094 0.032 0.000 1.039 636 V CA 1.619 63.931 62.300 0.020 0.000 1.016 636 V CB -0.587 31.240 31.823 0.008 0.000 0.650 636 V HN 0.465 nan 8.190 nan 0.000 0.449 637 I N 0.735 121.320 120.570 0.023 0.000 2.194 637 I HA -0.300 3.870 4.170 -0.000 0.000 0.246 637 I C 2.401 178.547 176.117 0.049 0.000 1.093 637 I CA 2.331 63.651 61.300 0.034 0.000 1.355 637 I CB -0.454 37.556 38.000 0.017 0.000 1.046 637 I HN 0.431 nan 8.210 nan 0.000 0.413 638 I N -1.094 119.499 120.570 0.038 0.000 2.286 638 I HA -0.302 3.868 4.170 -0.000 0.000 0.248 638 I C 2.487 178.635 176.117 0.052 0.000 1.115 638 I CA 1.593 62.916 61.300 0.039 0.000 1.392 638 I CB -0.601 37.414 38.000 0.026 0.000 1.065 638 I HN 0.259 nan 8.210 nan 0.000 0.418 639 Q N 0.986 120.820 119.800 0.057 0.000 2.172 639 Q HA -0.068 4.272 4.340 -0.000 0.000 0.200 639 Q C 2.283 178.348 176.000 0.108 0.000 0.964 639 Q CA 1.359 57.203 55.803 0.068 0.000 0.855 639 Q CB 0.016 28.790 28.738 0.060 0.000 0.918 639 Q HN 0.668 nan 8.270 nan 0.000 0.444 640 L N -0.049 121.259 121.223 0.142 0.000 2.095 640 L HA -0.103 4.237 4.340 -0.000 0.000 0.204 640 L C 2.475 179.508 176.870 0.272 0.000 1.080 640 L CA 0.824 55.824 54.840 0.266 0.000 0.759 640 L CB -0.562 41.630 42.059 0.221 0.000 0.914 640 L HN 0.227 nan 8.230 nan 0.000 0.439 641 V N -2.997 117.015 119.914 0.162 0.000 2.490 641 V HA -0.167 3.953 4.120 -0.000 0.000 0.250 641 V C 2.298 178.431 176.094 0.065 0.000 1.061 641 V CA 1.317 63.688 62.300 0.118 0.000 1.064 641 V CB -0.616 31.254 31.823 0.079 0.000 0.670 641 V HN 0.365 nan 8.190 nan 0.000 0.461 642 E N 0.537 120.771 120.200 0.056 0.000 2.051 642 E HA -0.189 4.161 4.350 -0.000 0.000 0.192 642 E C 2.226 178.822 176.600 -0.006 0.000 0.991 642 E CA 2.003 58.418 56.400 0.024 0.000 0.799 642 E CB -0.436 29.281 29.700 0.029 0.000 0.748 642 E HN 0.639 nan 8.360 nan 0.000 0.449 643 M N -1.014 118.588 119.600 0.002 0.000 2.267 643 M HA -0.117 4.363 4.480 -0.000 0.000 0.263 643 M C 1.377 177.519 176.300 -0.264 0.000 1.063 643 M CA 1.661 56.904 55.300 -0.094 0.000 1.090 643 M CB 0.059 32.641 32.600 -0.031 0.000 1.392 643 M HN 0.361 nan 8.290 nan 0.000 0.422 644 G N -1.003 107.656 108.800 -0.235 0.000 2.273 644 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.162 644 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.162 644 G C -0.165 174.593 174.900 -0.235 0.000 1.006 644 G CA -0.791 44.158 45.100 -0.250 0.000 0.704 644 G HN 0.251 nan 8.290 nan 0.000 0.487 645 F N 2.888 122.857 119.950 0.032 0.000 2.429 645 F HA 0.485 5.012 4.527 -0.000 0.000 0.348 645 F C -1.109 174.715 175.800 0.040 0.000 1.109 645 F CA -2.250 55.775 58.000 0.042 0.000 1.232 645 F CB 0.400 39.437 39.000 0.062 0.000 1.157 645 F HN -0.124 nan 8.300 nan 0.000 0.564 646 P HA -0.027 nan 4.420 nan 0.000 0.271 646 P C 0.595 177.973 177.300 0.131 0.000 1.216 646 P CA -0.259 62.924 63.100 0.138 0.000 0.776 646 P CB 0.795 32.562 31.700 0.111 0.000 0.881 647 M N 3.964 123.617 119.600 0.089 0.000 2.106 647 M HA -0.228 4.252 4.480 -0.000 0.000 0.259 647 M C 1.957 178.294 176.300 0.062 0.000 1.068 647 M CA 2.919 58.261 55.300 0.070 0.000 1.100 647 M CB -1.656 30.970 32.600 0.044 0.000 1.351 647 M HN 0.496 nan 8.290 nan 0.000 0.404 648 D N -0.947 119.488 120.400 0.058 0.000 2.097 648 D HA 0.018 4.658 4.640 -0.000 0.000 0.195 648 D C 2.029 178.376 176.300 0.078 0.000 0.989 648 D CA 2.154 56.184 54.000 0.050 0.000 0.827 648 D CB -1.162 39.662 40.800 0.039 0.000 0.966 648 D HN 0.707 nan 8.370 nan 0.000 0.456 649 A N -0.475 122.414 122.820 0.115 0.000 1.902 649 A HA -0.023 4.297 4.320 -0.000 0.000 0.217 649 A C 2.556 180.243 177.584 0.172 0.000 1.181 649 A CA 1.884 54.035 52.037 0.190 0.000 0.623 649 A CB -0.990 18.122 19.000 0.186 0.000 0.818 649 A HN 0.632 nan 8.150 nan 0.000 0.443 650 C N -1.019 118.349 119.300 0.114 0.000 2.425 650 C HA -0.085 4.375 4.460 -0.000 0.000 0.277 650 C C 2.902 177.902 174.990 0.016 0.000 1.280 650 C CA 1.095 60.154 59.018 0.068 0.000 1.744 650 C CB -1.331 26.466 27.740 0.095 0.000 1.989 650 C HN 0.593 nan 8.230 nan 0.000 0.491 651 R N 0.900 121.407 120.500 0.012 0.000 2.062 651 R HA -0.105 4.235 4.340 -0.000 0.000 0.231 651 R C 2.206 178.467 176.300 -0.066 0.000 1.136 651 R CA 1.266 57.350 56.100 -0.026 0.000 0.948 651 R CB -0.303 29.980 30.300 -0.028 0.000 0.845 651 R HN 0.557 nan 8.270 nan 0.000 0.430 652 K N 0.291 120.656 120.400 -0.058 0.000 2.281 652 K HA -0.093 4.227 4.320 -0.000 0.000 0.203 652 K C 1.950 178.204 176.600 -0.577 0.000 1.046 652 K CA 1.133 57.351 56.287 -0.115 0.000 0.938 652 K CB -0.025 32.483 32.500 0.013 0.000 0.737 652 K HN 0.185 nan 8.250 nan 0.000 0.458 653 A N 0.694 123.211 122.820 -0.504 0.000 1.898 653 A HA -0.062 4.258 4.320 -0.000 0.000 0.214 653 A C 2.291 179.630 177.584 -0.409 0.000 1.183 653 A CA 0.958 52.633 52.037 -0.604 0.000 0.622 653 A CB -0.321 18.655 19.000 -0.040 0.000 0.824 653 A HN 0.056 nan 8.150 nan 0.000 0.444 654 V N -1.392 118.398 119.914 -0.208 0.000 2.453 654 V HA -0.226 3.894 4.120 -0.000 0.000 0.247 654 V C 2.334 178.335 176.094 -0.155 0.000 1.048 654 V CA 1.906 64.125 62.300 -0.134 0.000 1.049 654 V CB -0.996 30.789 31.823 -0.064 0.000 0.672 654 V HN 0.691 nan 8.190 nan 0.000 0.457 655 Y N -0.007 120.107 120.300 -0.310 0.000 2.200 655 Y HA -0.213 4.337 4.550 -0.000 0.000 0.290 655 Y C 2.190 177.811 175.900 -0.464 0.000 1.137 655 Y CA 1.590 59.466 58.100 -0.374 0.000 1.163 655 Y CB -0.275 37.931 38.460 -0.424 0.000 0.988 655 Y HN 0.308 nan 8.280 nan 0.000 0.518 656 Y N -0.631 119.360 120.300 -0.514 0.000 2.511 656 Y HA -0.011 4.539 4.550 -0.000 0.000 0.279 656 Y C 2.160 177.814 175.900 -0.410 0.000 1.157 656 Y CA 1.059 58.833 58.100 -0.543 0.000 1.300 656 Y CB -0.058 38.032 38.460 -0.617 0.000 1.052 656 Y HN 0.219 nan 8.280 nan 0.000 0.529 657 T N -4.266 110.126 114.554 -0.270 0.000 3.069 657 T HA 0.304 4.653 4.350 -0.000 0.000 0.252 657 T C 1.465 176.083 174.700 -0.138 0.000 1.053 657 T CA 0.266 62.290 62.100 -0.128 0.000 0.964 657 T CB 0.017 68.845 68.868 -0.067 0.000 1.005 657 T HN 0.329 nan 8.240 nan 0.000 0.532 658 G N 2.478 111.143 108.800 -0.225 0.000 2.333 658 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.296 658 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.296 658 G C 0.021 174.844 174.900 -0.129 0.000 1.059 658 G CA -0.146 44.829 45.100 -0.208 0.000 1.050 658 G HN 0.695 nan 8.290 nan 0.000 0.508 659 N N -1.415 117.216 118.700 -0.115 0.000 2.667 659 N HA -0.177 4.563 4.740 -0.000 0.000 0.263 659 N C 0.973 176.453 175.510 -0.049 0.000 1.038 659 N CA 1.301 54.309 53.050 -0.070 0.000 0.749 659 N CB -0.818 37.635 38.487 -0.057 0.000 0.892 659 N HN 0.502 nan 8.380 nan 0.000 0.546 660 S N -0.144 115.531 115.700 -0.042 0.000 2.575 660 S HA 0.516 4.986 4.470 -0.000 0.000 0.237 660 S C 1.009 175.604 174.600 -0.009 0.000 0.975 660 S CA 0.056 58.242 58.200 -0.023 0.000 0.960 660 S CB 0.566 63.756 63.200 -0.017 0.000 0.822 660 S HN 1.022 nan 8.310 nan 0.000 0.472 661 G N 1.016 109.810 108.800 -0.010 0.000 2.663 661 G HA2 0.092 4.052 3.960 -0.000 0.000 0.686 661 G HA3 0.092 4.052 3.960 -0.000 0.000 0.686 661 G C 0.568 175.474 174.900 0.009 0.000 1.288 661 G CA -0.490 44.611 45.100 0.001 0.000 0.836 661 G HN 0.387 nan 8.290 nan 0.000 0.584 662 A N -0.426 122.405 122.820 0.018 0.000 1.883 662 A HA -0.009 4.311 4.320 -0.000 0.000 0.217 662 A C 2.086 179.692 177.584 0.037 0.000 1.186 662 A CA 2.454 54.508 52.037 0.030 0.000 0.624 662 A CB -0.590 18.433 19.000 0.038 0.000 0.822 662 A HN 0.872 nan 8.150 nan 0.000 0.444 663 E N -0.522 119.700 120.200 0.036 0.000 2.033 663 E HA -0.242 4.108 4.350 -0.000 0.000 0.199 663 E C 2.373 179.001 176.600 0.047 0.000 1.011 663 E CA 1.337 57.763 56.400 0.042 0.000 0.815 663 E CB -0.323 29.398 29.700 0.036 0.000 0.755 663 E HN 0.599 nan 8.360 nan 0.000 0.451 664 A N 1.033 123.879 122.820 0.044 0.000 1.972 664 A HA -0.113 4.207 4.320 -0.000 0.000 0.219 664 A C 2.292 179.930 177.584 0.090 0.000 1.169 664 A CA 1.817 53.891 52.037 0.062 0.000 0.635 664 A CB -0.436 18.591 19.000 0.045 0.000 0.810 664 A HN 0.323 nan 8.150 nan 0.000 0.446 665 A N -0.809 122.044 122.820 0.053 0.000 1.968 665 A HA 0.002 4.322 4.320 -0.000 0.000 0.217 665 A C 2.207 179.814 177.584 0.039 0.000 1.169 665 A CA 1.563 53.630 52.037 0.049 0.000 0.638 665 A CB -0.479 18.520 19.000 -0.002 0.000 0.812 665 A HN 0.616 nan 8.150 nan 0.000 0.446 666 M N 0.126 119.731 119.600 0.009 0.000 2.117 666 M HA -0.194 4.286 4.480 -0.000 0.000 0.262 666 M C 1.687 177.956 176.300 -0.050 0.000 1.065 666 M CA 2.092 57.358 55.300 -0.056 0.000 1.114 666 M CB -0.459 32.170 32.600 0.049 0.000 1.361 666 M HN 0.566 nan 8.290 nan 0.000 0.408 667 N N -0.927 117.798 118.700 0.041 0.000 2.120 667 N HA -0.218 4.522 4.740 -0.000 0.000 0.188 667 N C 1.429 176.981 175.510 0.069 0.000 1.024 667 N CA 1.529 54.609 53.050 0.050 0.000 0.852 667 N CB -0.274 38.257 38.487 0.073 0.000 1.003 667 N HN 0.505 nan 8.380 nan 0.000 0.424 668 W N 2.193 123.477 121.300 -0.027 0.000 2.354 668 W HA -0.193 4.467 4.660 0.000 0.000 0.315 668 W C 2.229 178.749 176.519 0.001 0.000 1.206 668 W CA 1.462 58.837 57.345 0.049 0.000 1.290 668 W CB -0.387 29.096 29.460 0.038 0.000 1.152 668 W HN -0.152 nan 8.180 nan 0.000 0.489 669 V N -0.923 119.104 119.914 0.188 0.000 2.469 669 V HA -0.351 3.769 4.120 -0.000 0.000 0.251 669 V C 2.005 177.977 176.094 -0.203 0.000 1.064 669 V CA 2.189 64.449 62.300 -0.067 0.000 1.066 669 V CB -1.220 30.307 31.823 -0.493 0.000 0.667 669 V HN 0.287 nan 8.190 nan 0.000 0.461 670 M N 0.806 120.284 119.600 -0.203 0.000 2.159 670 M HA -0.120 4.360 4.480 -0.000 0.000 0.263 670 M C 2.406 178.611 176.300 -0.158 0.000 1.063 670 M CA 2.033 57.282 55.300 -0.085 0.000 1.110 670 M CB -0.437 32.157 32.600 -0.010 0.000 1.374 670 M HN 0.483 nan 8.290 nan 0.000 0.411 671 S N -1.305 114.219 115.700 -0.294 0.000 2.414 671 S HA -0.046 4.424 4.470 -0.000 0.000 0.227 671 S C 1.376 175.557 174.600 -0.697 0.000 1.022 671 S CA 0.734 58.618 58.200 -0.526 0.000 0.958 671 S CB -0.169 62.575 63.200 -0.760 0.000 0.797 671 S HN 0.498 nan 8.310 nan 0.000 0.493 672 H N 0.329 119.066 119.070 -0.556 0.000 3.058 672 H HA 0.293 4.849 4.556 0.000 0.000 0.266 672 H C 1.692 176.787 175.328 -0.390 0.000 1.135 672 H CA 0.159 55.795 56.048 -0.687 0.000 1.174 672 H CB -0.029 28.734 29.762 -1.666 0.000 1.581 672 H HN 0.480 nan 8.280 nan 0.000 0.553 673 M N -0.538 118.990 119.600 -0.120 0.000 2.279 673 M HA -0.034 4.445 4.480 -0.000 0.000 0.264 673 M C 0.386 176.678 176.300 -0.014 0.000 1.062 673 M CA 1.645 56.946 55.300 0.002 0.000 1.099 673 M CB -0.022 32.626 32.600 0.080 0.000 1.394 673 M HN -0.214 nan 8.290 nan 0.000 0.426 674 D N 1.256 121.629 120.400 -0.044 0.000 2.349 674 D HA 0.072 4.712 4.640 -0.000 0.000 0.215 674 D C -0.226 176.023 176.300 -0.085 0.000 1.016 674 D CA 0.336 54.314 54.000 -0.037 0.000 0.870 674 D CB -0.150 40.641 40.800 -0.016 0.000 0.917 674 D HN 0.402 nan 8.370 nan 0.000 0.524 675 D N 1.607 121.921 120.400 -0.143 0.000 2.419 675 D HA 0.082 4.722 4.640 -0.000 0.000 0.236 675 D C -2.095 173.931 176.300 -0.457 0.000 1.165 675 D CA -0.776 53.013 54.000 -0.351 0.000 0.882 675 D CB 0.229 40.833 40.800 -0.325 0.000 1.201 675 D HN 0.031 nan 8.370 nan 0.000 0.443 676 P HA 0.113 nan 4.420 nan 0.000 0.275 676 P C 0.203 177.130 177.300 -0.622 0.000 1.228 676 P CA -0.377 62.335 63.100 -0.647 0.000 0.786 676 P CB 0.650 31.817 31.700 -0.888 0.000 0.927 677 D N 1.151 121.383 120.400 -0.281 0.000 2.149 677 D HA -0.205 4.435 4.640 -0.000 0.000 0.194 677 D C 1.431 177.631 176.300 -0.167 0.000 1.001 677 D CA 1.621 55.532 54.000 -0.148 0.000 0.849 677 D CB -0.704 40.088 40.800 -0.014 0.000 0.939 677 D HN 0.576 nan 8.370 nan 0.000 0.449 678 F N -0.492 119.357 119.950 -0.169 0.000 2.699 678 F HA 0.299 4.826 4.527 -0.000 0.000 0.298 678 F C 1.931 177.633 175.800 -0.163 0.000 1.154 678 F CA 0.421 58.341 58.000 -0.133 0.000 1.457 678 F CB -0.439 38.491 39.000 -0.117 0.000 1.106 678 F HN -0.085 nan 8.300 nan 0.000 0.585 679 A N 0.524 122.814 122.820 -0.883 0.000 2.021 679 A HA 0.077 4.397 4.320 -0.000 0.000 0.216 679 A C 0.817 178.229 177.584 -0.287 0.000 1.163 679 A CA 0.579 52.203 52.037 -0.687 0.000 0.676 679 A CB -0.341 17.977 19.000 -1.137 0.000 0.818 679 A HN 0.478 nan 8.150 nan 0.000 0.453 680 N N 0.505 119.063 118.700 -0.236 0.000 2.726 680 N HA 0.230 4.970 4.740 -0.000 0.000 0.253 680 N C -3.303 172.253 175.510 0.076 0.000 1.530 680 N CA -0.745 52.194 53.050 -0.184 0.000 0.772 680 N CB 1.567 39.909 38.487 -0.241 0.000 1.220 680 N HN 0.226 nan 8.380 nan 0.000 0.508 681 P HA 0.310 nan 4.420 nan 0.000 0.282 681 P C -0.408 176.972 177.300 0.133 0.000 1.249 681 P CA -0.520 62.656 63.100 0.126 0.000 0.806 681 P CB 1.400 33.164 31.700 0.108 0.000 0.984 682 L N 1.208 122.428 121.223 -0.004 0.000 2.439 682 L HA 0.446 4.786 4.340 -0.000 0.000 0.270 682 L C 0.624 177.404 176.870 -0.151 0.000 0.972 682 L CA -1.081 53.645 54.840 -0.189 0.000 0.836 682 L CB 1.470 43.284 42.059 -0.408 0.000 1.255 682 L HN 0.126 nan 8.230 nan 0.000 0.404 683 I N 2.445 122.925 120.570 -0.149 0.000 2.916 683 I HA 0.050 4.219 4.170 -0.000 0.000 0.267 683 I C 0.986 177.046 176.117 -0.094 0.000 1.263 683 I CA 0.110 61.356 61.300 -0.090 0.000 1.471 683 I CB -1.358 36.605 38.000 -0.062 0.000 1.089 683 I HN 0.760 nan 8.210 nan 0.000 0.468 699 P HA 0.744 nan 4.420 nan 0.000 0.292 699 P C -2.776 174.504 177.300 -0.033 0.000 1.308 699 P CA -1.513 61.560 63.100 -0.045 0.000 0.933 699 P CB 0.389 32.056 31.700 -0.055 0.000 1.217 700 P HA 0.400 nan 4.420 nan 0.000 0.296 700 P C 0.264 177.554 177.300 -0.016 0.000 1.301 700 P CA -0.456 62.632 63.100 -0.020 0.000 0.862 700 P CB 1.411 33.101 31.700 -0.017 0.000 1.046 701 E N 0.899 121.093 120.200 -0.010 0.000 2.299 701 E HA -0.107 4.243 4.350 -0.000 0.000 0.193 701 E C 1.190 177.791 176.600 0.001 0.000 0.998 701 E CA 0.731 57.127 56.400 -0.005 0.000 0.851 701 E CB -0.095 29.603 29.700 -0.004 0.000 0.795 701 E HN 0.642 nan 8.360 nan 0.000 0.492 702 D N -0.030 120.371 120.400 0.002 0.000 2.178 702 D HA -0.137 4.503 4.640 -0.000 0.000 0.202 702 D C 1.879 178.185 176.300 0.011 0.000 0.974 702 D CA 0.537 54.542 54.000 0.009 0.000 0.841 702 D CB -0.445 40.361 40.800 0.009 0.000 0.953 702 D HN 0.084 nan 8.370 nan 0.000 0.478 703 C N 0.603 119.905 119.300 0.003 0.000 2.473 703 C HA -0.080 4.380 4.460 -0.000 0.000 0.279 703 C C 3.087 178.079 174.990 0.003 0.000 1.250 703 C CA 0.471 59.489 59.018 0.001 0.000 1.713 703 C CB -0.834 26.898 27.740 -0.013 0.000 2.066 703 C HN 0.238 nan 8.230 nan 0.000 0.474 704 V N 1.690 121.601 119.914 -0.005 0.000 2.231 704 V HA -0.305 3.815 4.120 -0.000 0.000 0.250 704 V C 2.683 178.789 176.094 0.020 0.000 1.058 704 V CA 2.890 65.189 62.300 -0.002 0.000 1.022 704 V CB -1.619 30.200 31.823 -0.006 0.000 0.640 704 V HN 0.823 nan 8.190 nan 0.000 0.445 705 T N -2.586 111.981 114.554 0.023 0.000 2.881 705 T HA -0.212 4.138 4.350 -0.000 0.000 0.270 705 T C 1.682 176.412 174.700 0.051 0.000 1.068 705 T CA 1.964 64.085 62.100 0.035 0.000 1.131 705 T CB -0.795 68.090 68.868 0.028 0.000 0.871 705 T HN 0.537 nan 8.240 nan 0.000 0.479 706 T N 2.190 116.773 114.554 0.048 0.000 2.777 706 T HA 0.114 4.464 4.350 -0.000 0.000 0.266 706 T C 1.933 176.688 174.700 0.093 0.000 1.040 706 T CA 1.253 63.391 62.100 0.063 0.000 1.141 706 T CB -0.383 68.517 68.868 0.052 0.000 0.868 706 T HN 0.413 nan 8.240 nan 0.000 0.444 707 I N 0.912 121.531 120.570 0.081 0.000 2.163 707 I HA -0.124 4.045 4.170 -0.000 0.000 0.240 707 I C 2.503 178.745 176.117 0.209 0.000 1.081 707 I CA 0.869 62.234 61.300 0.108 0.000 1.353 707 I CB -0.549 37.454 38.000 0.004 0.000 1.054 707 I HN 0.055 nan 8.210 nan 0.000 0.407 708 V N 0.221 120.224 119.914 0.148 0.000 2.453 708 V HA -0.298 3.822 4.120 -0.000 0.000 0.252 708 V C 2.472 178.644 176.094 0.131 0.000 1.068 708 V CA 2.062 64.454 62.300 0.153 0.000 1.070 708 V CB -0.696 31.180 31.823 0.088 0.000 0.664 708 V HN 0.372 nan 8.190 nan 0.000 0.461 709 S N -0.744 115.025 115.700 0.115 0.000 2.447 709 S HA -0.037 4.433 4.470 -0.000 0.000 0.233 709 S C 1.728 176.395 174.600 0.113 0.000 1.006 709 S CA 1.219 59.476 58.200 0.094 0.000 0.957 709 S CB -0.295 62.955 63.200 0.083 0.000 0.773 709 S HN 0.553 nan 8.310 nan 0.000 0.507 710 M N 0.109 119.823 119.600 0.190 0.000 2.595 710 M HA 0.145 4.625 4.480 -0.000 0.000 0.248 710 M C 1.224 177.542 176.300 0.031 0.000 1.119 710 M CA 0.553 55.992 55.300 0.231 0.000 1.079 710 M CB 0.290 33.159 32.600 0.449 0.000 1.472 710 M HN 0.403 nan 8.290 nan 0.000 0.501 711 G N 0.476 109.233 108.800 -0.071 0.000 2.186 711 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.130 711 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.130 711 G C -0.441 174.088 174.900 -0.618 0.000 1.031 711 G CA -0.811 44.089 45.100 -0.334 0.000 0.697 711 G HN 0.324 nan 8.290 nan 0.000 0.494 712 F N 0.754 120.677 119.950 -0.044 0.000 2.639 712 F HA 0.819 5.346 4.527 -0.000 0.000 0.339 712 F C 1.017 176.803 175.800 -0.024 0.000 1.071 712 F CA -0.376 57.594 58.000 -0.051 0.000 0.994 712 F CB 1.448 40.405 39.000 -0.072 0.000 1.341 712 F HN 0.245 nan 8.300 nan 0.000 0.498 713 S N 0.120 115.935 115.700 0.191 0.000 2.681 713 S HA 0.352 4.822 4.470 -0.000 0.000 0.270 713 S C 1.108 175.762 174.600 0.089 0.000 1.209 713 S CA -0.524 57.736 58.200 0.101 0.000 0.988 713 S CB 1.334 64.578 63.200 0.072 0.000 1.006 713 S HN 0.766 nan 8.310 nan 0.000 0.558 714 R N 0.205 120.736 120.500 0.051 0.000 2.073 714 R HA -0.086 4.254 4.340 -0.000 0.000 0.229 714 R C 1.791 178.101 176.300 0.017 0.000 1.120 714 R CA 1.895 58.013 56.100 0.030 0.000 0.967 714 R CB -0.850 29.461 30.300 0.018 0.000 0.862 714 R HN 0.879 nan 8.270 nan 0.000 0.436 715 D N -0.046 120.367 120.400 0.021 0.000 2.123 715 D HA -0.199 4.441 4.640 -0.000 0.000 0.196 715 D C 1.832 178.140 176.300 0.014 0.000 0.992 715 D CA 1.565 55.573 54.000 0.012 0.000 0.833 715 D CB 0.086 40.899 40.800 0.021 0.000 0.954 715 D HN 0.355 nan 8.370 nan 0.000 0.455 716 Q N -0.378 119.449 119.800 0.045 0.000 2.084 716 Q HA -0.086 4.254 4.340 -0.000 0.000 0.202 716 Q C 2.271 178.263 176.000 -0.014 0.000 0.978 716 Q CA 1.451 57.289 55.803 0.057 0.000 0.844 716 Q CB -0.193 28.621 28.738 0.125 0.000 0.898 716 Q HN 0.377 nan 8.270 nan 0.000 0.426 717 A N 0.718 123.524 122.820 -0.022 0.000 1.902 717 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 717 A C 2.051 179.573 177.584 -0.103 0.000 1.181 717 A CA 1.068 53.064 52.037 -0.068 0.000 0.623 717 A CB -0.654 18.333 19.000 -0.023 0.000 0.818 717 A HN 0.289 nan 8.150 nan 0.000 0.443 718 L N -0.774 120.398 121.223 -0.085 0.000 2.046 718 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 718 L C 2.621 179.378 176.870 -0.187 0.000 1.077 718 L CA 1.755 56.528 54.840 -0.111 0.000 0.747 718 L CB -0.412 41.602 42.059 -0.075 0.000 0.896 718 L HN 0.357 nan 8.230 nan 0.000 0.432 719 K N -0.110 120.173 120.400 -0.195 0.000 2.032 719 K HA -0.198 4.122 4.320 -0.000 0.000 0.209 719 K C 2.225 178.391 176.600 -0.723 0.000 1.048 719 K CA 1.489 57.578 56.287 -0.330 0.000 0.927 719 K CB -0.321 32.081 32.500 -0.163 0.000 0.712 719 K HN 0.306 nan 8.250 nan 0.000 0.441 720 A N 1.426 123.861 122.820 -0.642 0.000 1.865 720 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 720 A C 2.171 179.376 177.584 -0.631 0.000 1.191 720 A CA 1.498 53.063 52.037 -0.786 0.000 0.623 720 A CB -0.809 18.071 19.000 -0.199 0.000 0.826 720 A HN 0.175 nan 8.150 nan 0.000 0.444 721 L N -1.290 119.716 121.223 -0.361 0.000 2.046 721 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 721 L C 2.784 179.486 176.870 -0.281 0.000 1.077 721 L CA 1.657 56.344 54.840 -0.256 0.000 0.747 721 L CB -0.427 41.535 42.059 -0.161 0.000 0.896 721 L HN 0.362 nan 8.230 nan 0.000 0.432 722 R N -0.157 120.155 120.500 -0.314 0.000 2.237 722 R HA -0.076 4.264 4.340 -0.000 0.000 0.219 722 R C 2.075 178.178 176.300 -0.329 0.000 1.080 722 R CA 0.979 56.918 56.100 -0.268 0.000 0.995 722 R CB -0.034 30.131 30.300 -0.224 0.000 0.875 722 R HN 0.377 nan 8.270 nan 0.000 0.462 723 A N -0.216 122.274 122.820 -0.550 0.000 2.030 723 A HA -0.030 4.290 4.320 -0.000 0.000 0.215 723 A C 1.412 178.769 177.584 -0.378 0.000 1.164 723 A CA 1.129 52.822 52.037 -0.574 0.000 0.697 723 A CB 0.152 18.421 19.000 -1.217 0.000 0.827 723 A HN 0.362 nan 8.150 nan 0.000 0.457 724 T N -3.539 110.800 114.554 -0.357 0.000 3.275 724 T HA 0.226 4.576 4.350 -0.000 0.000 0.265 724 T C 0.321 174.950 174.700 -0.119 0.000 0.978 724 T CA -0.091 61.902 62.100 -0.178 0.000 0.923 724 T CB -0.465 68.319 68.868 -0.139 0.000 1.126 724 T HN 0.261 nan 8.240 nan 0.000 0.538 725 N N 2.806 121.434 118.700 -0.120 0.000 2.701 725 N HA -0.264 4.476 4.740 -0.000 0.000 0.250 725 N C 0.077 175.542 175.510 -0.076 0.000 1.046 725 N CA 1.145 54.145 53.050 -0.084 0.000 0.733 725 N CB -2.140 36.314 38.487 -0.055 0.000 0.973 725 N HN 0.911 nan 8.380 nan 0.000 0.541 726 N N -2.257 116.384 118.700 -0.097 0.000 2.741 726 N HA -0.234 4.506 4.740 -0.000 0.000 0.251 726 N C -0.949 174.527 175.510 -0.058 0.000 1.112 726 N CA 0.905 53.906 53.050 -0.080 0.000 0.750 726 N CB -0.856 37.592 38.487 -0.064 0.000 1.119 726 N HN 0.489 nan 8.380 nan 0.000 0.561 727 S N 0.313 115.981 115.700 -0.054 0.000 2.452 727 S HA 0.335 4.805 4.470 -0.000 0.000 0.284 727 S C 1.049 175.636 174.600 -0.021 0.000 1.171 727 S CA -0.860 57.323 58.200 -0.029 0.000 1.064 727 S CB 1.364 64.554 63.200 -0.018 0.000 0.967 727 S HN 0.322 nan 8.310 nan 0.000 0.484 728 L N 5.221 126.438 121.223 -0.010 0.000 1.970 728 L HA -0.022 4.318 4.340 -0.000 0.000 0.212 728 L C 2.310 179.194 176.870 0.022 0.000 1.071 728 L CA 2.071 56.912 54.840 0.002 0.000 0.751 728 L CB -1.050 41.015 42.059 0.009 0.000 0.889 728 L HN 0.724 nan 8.230 nan 0.000 0.432 729 E N 0.013 120.229 120.200 0.027 0.000 2.070 729 E HA -0.252 4.098 4.350 -0.000 0.000 0.197 729 E C 2.378 179.014 176.600 0.059 0.000 1.004 729 E CA 1.555 57.979 56.400 0.040 0.000 0.805 729 E CB -0.436 29.282 29.700 0.031 0.000 0.744 729 E HN 0.539 nan 8.360 nan 0.000 0.451 730 R N 0.355 120.886 120.500 0.053 0.000 2.092 730 R HA -0.010 4.330 4.340 -0.000 0.000 0.231 730 R C 2.366 178.742 176.300 0.126 0.000 1.119 730 R CA 1.113 57.264 56.100 0.083 0.000 0.970 730 R CB -0.329 30.006 30.300 0.058 0.000 0.864 730 R HN 0.159 nan 8.270 nan 0.000 0.440 731 A N 0.669 123.526 122.820 0.062 0.000 1.908 731 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 731 A C 2.328 179.988 177.584 0.128 0.000 1.181 731 A CA 1.481 53.545 52.037 0.047 0.000 0.627 731 A CB -0.598 18.371 19.000 -0.052 0.000 0.818 731 A HN 0.119 nan 8.150 nan 0.000 0.445 732 V N 0.638 120.619 119.914 0.112 0.000 2.287 732 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 732 V C 2.208 178.477 176.094 0.291 0.000 1.053 732 V CA 2.351 64.758 62.300 0.179 0.000 1.027 732 V CB -0.820 31.105 31.823 0.170 0.000 0.646 732 V HN 0.503 nan 8.190 nan 0.000 0.447 733 D N -1.518 119.012 120.400 0.218 0.000 2.149 733 D HA -0.217 4.423 4.640 -0.000 0.000 0.198 733 D C 1.706 178.165 176.300 0.264 0.000 0.990 733 D CA 1.313 55.437 54.000 0.207 0.000 0.839 733 D CB -0.184 40.701 40.800 0.142 0.000 0.948 733 D HN 0.652 nan 8.370 nan 0.000 0.460 734 W N 1.410 122.777 121.300 0.112 0.000 2.353 734 W HA -0.163 4.497 4.660 -0.000 0.000 0.319 734 W C 2.208 178.844 176.519 0.196 0.000 1.207 734 W CA 1.484 58.932 57.345 0.171 0.000 1.291 734 W CB -0.299 29.175 29.460 0.024 0.000 1.159 734 W HN -0.083 nan 8.180 nan 0.000 0.478 735 I N -1.441 119.316 120.570 0.312 0.000 2.315 735 I HA -0.234 3.936 4.170 -0.000 0.000 0.248 735 I C 2.119 178.156 176.117 -0.134 0.000 1.117 735 I CA 1.298 62.587 61.300 -0.018 0.000 1.404 735 I CB -1.249 36.408 38.000 -0.571 0.000 1.071 735 I HN -0.118 nan 8.210 nan 0.000 0.419 736 F N 1.757 121.698 119.950 -0.015 0.000 2.134 736 F HA -0.211 4.316 4.527 -0.000 0.000 0.299 736 F C 2.842 178.635 175.800 -0.011 0.000 1.097 736 F CA 1.871 59.911 58.000 0.067 0.000 1.264 736 F CB -0.401 38.647 39.000 0.079 0.000 1.001 736 F HN 0.162 nan 8.300 nan 0.000 0.479 737 S N -2.096 113.645 115.700 0.068 0.000 2.527 737 S HA -0.089 4.381 4.470 -0.000 0.000 0.222 737 S C 1.221 175.584 174.600 -0.395 0.000 0.985 737 S CA 0.851 58.961 58.200 -0.151 0.000 0.921 737 S CB -0.598 62.467 63.200 -0.224 0.000 0.772 737 S HN 0.472 nan 8.310 nan 0.000 0.529 738 H N 0.765 119.631 119.070 -0.340 0.000 2.729 738 H HA 0.402 4.958 4.556 -0.000 0.000 0.263 738 H C 1.848 177.036 175.328 -0.233 0.000 0.961 738 H CA 0.490 56.261 56.048 -0.461 0.000 1.217 738 H CB -0.033 29.075 29.762 -1.089 0.000 1.447 738 H HN 0.435 nan 8.280 nan 0.000 0.496 739 I N 0.050 120.610 120.570 -0.017 0.000 2.151 739 I HA -0.283 3.886 4.170 -0.000 0.000 0.243 739 I C 1.491 177.625 176.117 0.029 0.000 1.080 739 I CA 1.666 62.996 61.300 0.050 0.000 1.339 739 I CB -0.291 37.782 38.000 0.122 0.000 1.039 739 I HN 0.084 nan 8.210 nan 0.000 0.409 740 D N 1.298 121.702 120.400 0.006 0.000 2.182 740 D HA -0.183 4.457 4.640 -0.000 0.000 0.201 740 D C 1.776 178.072 176.300 -0.007 0.000 0.986 740 D CA 1.624 55.623 54.000 -0.001 0.000 0.847 740 D CB -0.393 40.399 40.800 -0.013 0.000 0.942 740 D HN 0.500 nan 8.370 nan 0.000 0.467 741 D N 0.267 120.655 120.400 -0.020 0.000 2.123 741 D HA -0.019 4.621 4.640 -0.000 0.000 0.200 741 D C 2.413 178.725 176.300 0.020 0.000 0.976 741 D CA 0.237 54.233 54.000 -0.006 0.000 0.831 741 D CB -0.259 40.531 40.800 -0.016 0.000 0.974 741 D HN 0.224 nan 8.370 nan 0.000 0.469 742 L N 0.886 122.128 121.223 0.032 0.000 2.131 742 L HA -0.147 4.193 4.340 -0.000 0.000 0.210 742 L C 1.734 178.631 176.870 0.045 0.000 1.092 742 L CA 0.913 55.785 54.840 0.053 0.000 0.759 742 L CB -0.313 41.794 42.059 0.080 0.000 0.903 742 L HN -0.077 nan 8.230 nan 0.000 0.435 743 D N 0.509 120.930 120.400 0.036 0.000 2.178 743 D HA -0.114 4.526 4.640 -0.000 0.000 0.202 743 D C 2.180 178.492 176.300 0.021 0.000 0.974 743 D CA 1.389 55.406 54.000 0.027 0.000 0.841 743 D CB 0.087 40.899 40.800 0.020 0.000 0.953 743 D HN 0.306 nan 8.370 nan 0.000 0.478 744 A N 0.469 123.300 122.820 0.019 0.000 2.119 744 A HA -0.083 4.237 4.320 -0.000 0.000 0.216 744 A C 1.936 179.533 177.584 0.021 0.000 1.152 744 A CA 0.769 52.816 52.037 0.017 0.000 0.708 744 A CB -0.196 18.812 19.000 0.013 0.000 0.805 744 A HN 0.128 nan 8.150 nan 0.000 0.460 745 E N -0.468 119.747 120.200 0.027 0.000 2.250 745 E HA 0.095 4.445 4.350 -0.000 0.000 0.192 745 E C 2.179 178.795 176.600 0.026 0.000 0.986 745 E CA 0.570 56.987 56.400 0.029 0.000 0.849 745 E CB -0.083 29.640 29.700 0.037 0.000 0.797 745 E HN 0.597 nan 8.360 nan 0.000 0.482 746 A N 1.276 124.112 122.820 0.026 0.000 1.930 746 A HA -0.045 4.274 4.320 -0.000 0.000 0.217 746 A C 2.319 179.913 177.584 0.017 0.000 1.175 746 A CA 1.481 53.531 52.037 0.022 0.000 0.627 746 A CB -0.415 18.599 19.000 0.023 0.000 0.815 746 A HN 0.274 nan 8.150 nan 0.000 0.443 747 A N -1.403 121.427 122.820 0.016 0.000 2.014 747 A HA 0.177 4.497 4.320 -0.000 0.000 0.218 747 A C 1.292 178.883 177.584 0.013 0.000 1.163 747 A CA 1.154 53.198 52.037 0.012 0.000 0.652 747 A CB -0.403 18.604 19.000 0.011 0.000 0.808 747 A HN 0.505 nan 8.150 nan 0.000 0.449 748 M N 1.947 121.556 119.600 0.015 0.000 2.266 748 M HA 0.264 4.744 4.480 -0.000 0.000 0.340 748 M C -1.449 174.859 176.300 0.014 0.000 1.486 748 M CA -0.052 55.257 55.300 0.015 0.000 1.209 748 M CB -0.177 32.434 32.600 0.018 0.000 1.714 748 M HN 0.190 nan 8.290 nan 0.000 0.459 770 K N 0.596 121.015 120.400 0.032 0.000 2.379 770 K HA 0.631 4.951 4.320 -0.000 0.000 0.284 770 K C 0.330 176.961 176.600 0.053 0.000 1.044 770 K CA 0.090 56.399 56.287 0.037 0.000 0.974 770 K CB 0.347 32.867 32.500 0.034 0.000 0.962 770 K HN 1.056 nan 8.250 nan 0.000 0.474 771 V N -0.662 119.287 119.914 0.059 0.000 2.876 771 V HA 0.752 4.872 4.120 -0.000 0.000 0.312 771 V C -0.568 175.582 176.094 0.093 0.000 1.085 771 V CA -1.437 60.917 62.300 0.089 0.000 0.945 771 V CB 2.009 33.890 31.823 0.097 0.000 1.017 771 V HN 0.808 nan 8.190 nan 0.000 0.428 772 R N 2.449 123.021 120.500 0.120 0.000 2.265 772 R HA 0.550 4.890 4.340 -0.000 0.000 0.314 772 R C -0.587 175.791 176.300 0.130 0.000 1.053 772 R CA -0.188 55.978 56.100 0.109 0.000 0.931 772 R CB 0.863 31.231 30.300 0.112 0.000 1.024 772 R HN 0.940 nan 8.270 nan 0.000 0.457 773 D N 0.653 121.115 120.400 0.102 0.000 2.442 773 D HA 0.760 5.400 4.640 -0.000 0.000 0.254 773 D C -0.152 176.209 176.300 0.102 0.000 1.069 773 D CA -0.172 53.896 54.000 0.114 0.000 1.017 773 D CB 1.874 42.725 40.800 0.084 0.000 1.172 773 D HN 0.580 nan 8.370 nan 0.000 0.561 774 G N -0.208 108.665 108.800 0.122 0.000 2.322 774 G HA2 0.363 4.323 3.960 -0.000 0.000 0.295 774 G HA3 0.363 4.323 3.960 -0.000 0.000 0.295 774 G C -2.982 171.977 174.900 0.098 0.000 1.369 774 G CA -0.881 44.260 45.100 0.069 0.000 0.821 774 G HN 0.369 nan 8.290 nan 0.000 0.536 775 P HA 0.357 nan 4.420 nan 0.000 0.272 775 P C 0.545 177.635 177.300 -0.349 0.000 1.223 775 P CA 0.155 63.195 63.100 -0.100 0.000 0.784 775 P CB 0.907 32.508 31.700 -0.164 0.000 0.923 776 G N 2.155 110.538 108.800 -0.695 0.000 3.636 776 G HA2 0.129 4.089 3.960 -0.000 0.000 0.260 776 G HA3 0.129 4.089 3.960 -0.000 0.000 0.260 776 G C -0.043 174.384 174.900 -0.788 0.000 1.014 776 G CA -0.053 44.216 45.100 -1.384 0.000 1.797 776 G HN 0.241 nan 8.290 nan 0.000 0.637 777 K N 1.147 121.068 120.400 -0.799 0.000 2.545 777 K HA 0.424 4.744 4.320 -0.000 0.000 0.252 777 K C -1.548 174.686 176.600 -0.609 0.000 0.948 777 K CA -0.553 55.443 56.287 -0.485 0.000 0.827 777 K CB 1.573 33.875 32.500 -0.330 0.000 1.128 777 K HN 0.294 nan 8.250 nan 0.000 0.429 778 Y N 0.657 120.863 120.300 -0.157 0.000 2.602 778 Y HA 0.375 4.925 4.550 -0.000 0.000 0.342 778 Y C 0.024 175.972 175.900 0.080 0.000 1.029 778 Y CA -0.787 57.286 58.100 -0.044 0.000 1.080 778 Y CB 2.287 40.730 38.460 -0.028 0.000 1.284 778 Y HN 0.340 nan 8.280 nan 0.000 0.485 779 Q N 1.344 121.349 119.800 0.342 0.000 2.356 779 Q HA 0.405 4.745 4.340 -0.000 0.000 0.270 779 Q C -1.518 174.680 176.000 0.331 0.000 1.058 779 Q CA -1.293 54.691 55.803 0.302 0.000 0.802 779 Q CB 3.016 31.851 28.738 0.160 0.000 1.303 779 Q HN 0.564 nan 8.270 nan 0.000 0.444 780 L N 2.532 123.883 121.223 0.215 0.000 2.499 780 L HA 0.009 4.349 4.340 -0.000 0.000 0.273 780 L C -0.299 176.707 176.870 0.227 0.000 1.195 780 L CA 0.950 55.728 54.840 -0.104 0.000 0.882 780 L CB 0.145 42.213 42.059 0.015 0.000 1.133 780 L HN 0.781 nan 8.230 nan 0.000 0.483 781 F N 4.662 124.662 119.950 0.085 0.000 2.549 781 F HA 0.681 5.208 4.527 -0.000 0.000 0.275 781 F C 0.406 176.328 175.800 0.203 0.000 0.990 781 F CA 0.436 58.504 58.000 0.114 0.000 1.274 781 F CB 0.238 39.366 39.000 0.214 0.000 1.064 781 F HN 0.553 nan 8.300 nan 0.000 0.715 782 A N 0.157 123.173 122.820 0.327 0.000 2.594 782 A HA 0.626 4.946 4.320 -0.000 0.000 0.295 782 A C -1.875 176.017 177.584 0.513 0.000 1.071 782 A CA -0.341 51.842 52.037 0.242 0.000 0.685 782 A CB 0.601 19.454 19.000 -0.245 0.000 1.285 782 A HN 0.495 nan 8.150 nan 0.000 0.405 783 F N -0.553 119.476 119.950 0.131 0.000 2.619 783 F HA 0.839 5.366 4.527 -0.000 0.000 0.308 783 F C -1.185 174.608 175.800 -0.012 0.000 1.097 783 F CA -1.090 56.856 58.000 -0.089 0.000 0.953 783 F CB 1.279 39.839 39.000 -0.732 0.000 1.287 783 F HN 0.389 nan 8.300 nan 0.000 0.446 784 I N 2.695 123.329 120.570 0.107 0.000 2.354 784 I HA 0.445 4.615 4.170 -0.000 0.000 0.292 784 I C -0.683 175.607 176.117 0.288 0.000 0.989 784 I CA -0.625 60.758 61.300 0.139 0.000 1.188 784 I CB 2.019 40.109 38.000 0.150 0.000 1.342 784 I HN 0.685 nan 8.210 nan 0.000 0.457 785 S N 4.749 120.649 115.700 0.334 0.000 2.478 785 S HA 0.334 4.804 4.470 -0.000 0.000 0.312 785 S C -0.646 174.151 174.600 0.329 0.000 1.094 785 S CA -0.649 57.763 58.200 0.352 0.000 1.081 785 S CB 1.175 64.541 63.200 0.277 0.000 1.007 785 S HN 0.541 nan 8.310 nan 0.000 0.475 786 H N 4.020 123.172 119.070 0.138 0.000 2.556 786 H HA 0.448 5.004 4.556 -0.000 0.000 0.310 786 H C -1.093 174.134 175.328 -0.169 0.000 1.057 786 H CA -0.531 55.343 56.048 -0.291 0.000 1.264 786 H CB 0.367 29.889 29.762 -0.401 0.000 1.404 786 H HN 0.545 nan 8.280 nan 0.000 0.462 787 M N 4.247 123.493 119.600 -0.591 0.000 2.264 787 M HA 0.390 4.870 4.480 -0.000 0.000 0.352 787 M C 0.389 176.425 176.300 -0.440 0.000 1.173 787 M CA 0.100 55.202 55.300 -0.331 0.000 1.075 787 M CB 2.072 34.596 32.600 -0.127 0.000 1.621 787 M HN 0.952 nan 8.290 nan 0.000 0.457 788 G N 0.727 109.407 108.800 -0.201 0.000 2.353 788 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.424 788 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.424 788 G C -0.076 174.820 174.900 -0.006 0.000 1.320 788 G CA -0.198 44.838 45.100 -0.106 0.000 0.995 788 G HN 0.699 nan 8.290 nan 0.000 0.580 789 T N -2.697 111.873 114.554 0.026 0.000 3.023 789 T HA 0.546 4.896 4.350 -0.000 0.000 0.253 789 T C 1.165 175.904 174.700 0.064 0.000 1.038 789 T CA 1.204 63.335 62.100 0.051 0.000 0.962 789 T CB 0.491 69.390 68.868 0.052 0.000 1.018 789 T HN 1.374 nan 8.240 nan 0.000 0.521 790 S N 0.269 116.014 115.700 0.074 0.000 2.578 790 S HA 0.389 4.858 4.470 -0.000 0.000 0.283 790 S C 1.237 175.887 174.600 0.083 0.000 1.195 790 S CA -0.457 57.781 58.200 0.064 0.000 1.050 790 S CB 1.267 64.491 63.200 0.040 0.000 1.012 790 S HN 0.216 nan 8.310 nan 0.000 0.511 791 T N 4.196 118.761 114.554 0.020 0.000 2.951 791 T HA 0.039 4.388 4.350 -0.000 0.000 0.268 791 T C 1.530 176.210 174.700 -0.033 0.000 1.073 791 T CA 1.255 63.332 62.100 -0.039 0.000 1.134 791 T CB -0.174 68.670 68.868 -0.041 0.000 0.884 791 T HN 0.611 nan 8.240 nan 0.000 0.479 792 M N -0.620 118.975 119.600 -0.007 0.000 2.516 792 M HA 0.209 4.689 4.480 -0.000 0.000 0.259 792 M C 0.239 176.521 176.300 -0.031 0.000 1.146 792 M CA 0.231 55.512 55.300 -0.032 0.000 1.122 792 M CB 0.562 33.134 32.600 -0.048 0.000 1.341 792 M HN 0.194 nan 8.290 nan 0.000 0.478 793 c N -0.343 118.262 118.600 0.007 0.000 3.154 793 c HA 0.950 5.520 4.570 -0.000 0.000 0.312 793 c C 0.457 174.581 174.090 0.057 0.000 1.349 793 c CA -0.775 55.552 56.329 -0.003 0.000 1.518 793 c CB 1.507 43.984 42.510 -0.056 0.000 1.934 793 c HN 0.642 nan 8.230 nan 0.000 0.462 794 G N -0.053 108.740 108.800 -0.012 0.000 2.320 794 G HA2 0.483 4.443 3.960 -0.000 0.000 0.297 794 G HA3 0.483 4.443 3.960 -0.000 0.000 0.297 794 G C -2.364 172.460 174.900 -0.127 0.000 1.344 794 G CA -0.548 44.426 45.100 -0.211 0.000 0.851 794 G HN 0.942 nan 8.290 nan 0.000 0.567 795 H N -1.146 117.713 119.070 -0.352 0.000 2.637 795 H HA 0.744 5.300 4.556 -0.000 0.000 0.363 795 H C -1.506 173.672 175.328 -0.250 0.000 1.131 795 H CA -0.623 55.316 56.048 -0.182 0.000 1.183 795 H CB 1.535 31.238 29.762 -0.099 0.000 1.637 795 H HN 0.495 nan 8.280 nan 0.000 0.531 796 Y N 3.784 123.797 120.300 -0.479 0.000 2.360 796 Y HA 0.466 5.016 4.550 -0.000 0.000 0.337 796 Y C -0.194 175.496 175.900 -0.349 0.000 1.039 796 Y CA -0.505 57.449 58.100 -0.244 0.000 1.109 796 Y CB 1.662 40.091 38.460 -0.052 0.000 1.201 796 Y HN 0.529 nan 8.280 nan 0.000 0.458 797 V N 0.034 119.987 119.914 0.066 0.000 3.160 797 V HA 0.837 4.957 4.120 -0.000 0.000 0.310 797 V C -0.708 175.386 176.094 -0.001 0.000 1.181 797 V CA -1.395 60.906 62.300 0.001 0.000 1.047 797 V CB 1.433 33.254 31.823 -0.004 0.000 1.068 797 V HN 0.965 nan 8.190 nan 0.000 0.441 798 C N 0.745 119.981 119.300 -0.106 0.000 2.802 798 C HA 0.898 5.358 4.460 -0.000 0.000 0.307 798 C C -0.672 174.115 174.990 -0.339 0.000 1.222 798 C CA -0.360 58.551 59.018 -0.178 0.000 1.580 798 C CB 0.582 28.229 27.740 -0.155 0.000 2.119 798 C HN 1.096 nan 8.230 nan 0.000 0.479 799 H N 1.025 119.804 119.070 -0.484 0.000 2.466 799 H HA 0.792 5.348 4.556 -0.000 0.000 0.338 799 H C -0.348 174.946 175.328 -0.058 0.000 1.091 799 H CA -0.337 55.508 56.048 -0.338 0.000 1.207 799 H CB 1.192 30.482 29.762 -0.787 0.000 1.466 799 H HN 0.692 nan 8.280 nan 0.000 0.493 800 I N 2.167 122.879 120.570 0.236 0.000 2.533 800 I HA 0.238 4.408 4.170 -0.000 0.000 0.290 800 I C -0.446 175.489 176.117 -0.303 0.000 1.056 800 I CA -1.015 60.223 61.300 -0.104 0.000 1.057 800 I CB 2.112 39.964 38.000 -0.246 0.000 1.240 800 I HN 0.372 nan 8.210 nan 0.000 0.423 801 K N 6.815 126.634 120.400 -0.969 0.000 2.285 801 K HA 0.404 4.724 4.320 -0.000 0.000 0.286 801 K C -1.036 175.238 176.600 -0.545 0.000 1.072 801 K CA -0.210 55.385 56.287 -1.154 0.000 0.913 801 K CB 0.649 32.132 32.500 -1.695 0.000 1.067 801 K HN 0.484 nan 8.250 nan 0.000 0.479 802 K N 3.701 123.924 120.400 -0.294 0.000 2.422 802 K HA 0.158 4.478 4.320 -0.000 0.000 0.251 802 K C -0.703 175.884 176.600 -0.023 0.000 0.933 802 K CA -0.947 55.282 56.287 -0.097 0.000 0.798 802 K CB 1.824 34.317 32.500 -0.011 0.000 1.238 802 K HN 0.581 nan 8.250 nan 0.000 0.428 803 E N 0.542 120.752 120.200 0.017 0.000 2.494 803 E HA -0.277 4.073 4.350 -0.000 0.000 0.249 803 E C 0.689 177.285 176.600 -0.007 0.000 1.184 803 E CA 1.308 57.726 56.400 0.030 0.000 0.727 803 E CB -1.449 28.295 29.700 0.074 0.000 1.281 803 E HN 1.104 nan 8.360 nan 0.000 0.405 804 G N -0.791 107.979 108.800 -0.049 0.000 2.205 804 G HA2 -0.405 3.555 3.960 -0.000 0.000 0.261 804 G HA3 -0.405 3.555 3.960 -0.000 0.000 0.261 804 G C 0.257 175.099 174.900 -0.096 0.000 0.980 804 G CA 0.416 45.478 45.100 -0.063 0.000 0.632 804 G HN 0.433 nan 8.290 nan 0.000 0.533 805 R N -0.385 120.049 120.500 -0.108 0.000 2.686 805 R HA 0.486 4.826 4.340 -0.000 0.000 0.286 805 R C -0.871 175.371 176.300 -0.097 0.000 0.969 805 R CA -1.071 54.991 56.100 -0.062 0.000 0.898 805 R CB 0.875 31.181 30.300 0.011 0.000 1.183 805 R HN 0.119 nan 8.270 nan 0.000 0.456 806 W N 2.741 124.067 121.300 0.043 0.000 2.190 806 W HA 0.353 5.013 4.660 -0.000 0.000 0.330 806 W C -0.196 176.343 176.519 0.032 0.000 1.299 806 W CA -0.072 57.305 57.345 0.053 0.000 1.215 806 W CB 1.203 30.714 29.460 0.084 0.000 1.147 806 W HN 0.128 nan 8.180 nan 0.000 0.563 807 V N 5.696 125.809 119.914 0.333 0.000 2.686 807 V HA 0.350 4.470 4.120 -0.000 0.000 0.306 807 V C -0.563 175.525 176.094 -0.011 0.000 1.065 807 V CA -1.285 61.064 62.300 0.081 0.000 0.894 807 V CB 1.766 33.596 31.823 0.012 0.000 1.004 807 V HN 0.453 nan 8.190 nan 0.000 0.424 808 I N 4.210 124.644 120.570 -0.227 0.000 2.385 808 I HA 0.534 4.704 4.170 -0.000 0.000 0.294 808 I C -1.420 174.423 176.117 -0.456 0.000 0.988 808 I CA -0.416 60.606 61.300 -0.463 0.000 1.265 808 I CB 1.132 38.830 38.000 -0.504 0.000 1.388 808 I HN 0.650 nan 8.210 nan 0.000 0.480 809 Y N 6.285 126.414 120.300 -0.284 0.000 2.464 809 Y HA 0.341 4.891 4.550 -0.000 0.000 0.326 809 Y C -0.078 175.729 175.900 -0.156 0.000 0.969 809 Y CA -0.738 57.253 58.100 -0.181 0.000 1.270 809 Y CB 0.633 38.993 38.460 -0.167 0.000 1.103 809 Y HN 0.478 nan 8.280 nan 0.000 0.491 810 N N 4.028 122.721 118.700 -0.011 0.000 2.699 810 N HA 0.168 4.908 4.740 -0.000 0.000 0.232 810 N C -0.158 175.389 175.510 0.061 0.000 1.027 810 N CA 0.090 53.165 53.050 0.041 0.000 0.920 810 N CB 0.125 38.635 38.487 0.040 0.000 1.148 810 N HN 0.701 nan 8.380 nan 0.000 0.509 811 D N 0.963 121.400 120.400 0.061 0.000 4.056 811 D HA -0.350 4.290 4.640 -0.000 0.000 0.169 811 D C 0.908 177.220 176.300 0.020 0.000 0.744 811 D CA 1.739 55.761 54.000 0.037 0.000 1.006 811 D CB -0.465 40.377 40.800 0.071 0.000 0.448 811 D HN 0.646 nan 8.370 nan 0.000 0.412 812 Q N 0.478 120.284 119.800 0.010 0.000 2.378 812 Q HA -0.021 4.319 4.340 -0.000 0.000 0.205 812 Q C 0.160 176.149 176.000 -0.018 0.000 0.954 812 Q CA 1.068 56.867 55.803 -0.005 0.000 0.901 812 Q CB 0.288 29.022 28.738 -0.006 0.000 0.981 812 Q HN 0.083 nan 8.270 nan 0.000 0.483 813 K N 0.099 120.482 120.400 -0.028 0.000 2.248 813 K HA 0.377 4.697 4.320 -0.000 0.000 0.281 813 K C -1.418 175.099 176.600 -0.137 0.000 1.054 813 K CA -0.305 55.938 56.287 -0.073 0.000 0.903 813 K CB 1.321 33.785 32.500 -0.060 0.000 1.077 813 K HN 0.057 nan 8.250 nan 0.000 0.474 814 V N 4.628 124.411 119.914 -0.219 0.000 2.376 814 V HA 0.483 4.603 4.120 -0.000 0.000 0.287 814 V C -0.546 175.316 176.094 -0.385 0.000 1.015 814 V CA -0.869 61.203 62.300 -0.379 0.000 0.834 814 V CB 1.137 32.733 31.823 -0.378 0.000 1.001 814 V HN 1.052 nan 8.190 nan 0.000 0.428 815 C N 3.106 122.194 119.300 -0.355 0.000 2.797 815 C HA 0.844 5.304 4.460 -0.000 0.000 0.306 815 C C 0.729 175.595 174.990 -0.206 0.000 1.207 815 C CA -1.154 57.706 59.018 -0.262 0.000 1.507 815 C CB 1.610 29.245 27.740 -0.175 0.000 2.028 815 C HN 0.957 nan 8.230 nan 0.000 0.475 816 A N 2.218 124.944 122.820 -0.157 0.000 2.492 816 A HA 0.516 4.836 4.320 -0.000 0.000 0.254 816 A C 0.467 178.046 177.584 -0.008 0.000 1.091 816 A CA 0.347 52.344 52.037 -0.066 0.000 0.768 816 A CB -0.011 18.949 19.000 -0.067 0.000 1.028 816 A HN 1.308 nan 8.150 nan 0.000 0.498 817 S N 1.887 117.632 115.700 0.075 0.000 2.501 817 S HA 0.524 4.994 4.470 -0.000 0.000 0.301 817 S C 0.181 174.856 174.600 0.126 0.000 1.096 817 S CA -0.598 57.664 58.200 0.102 0.000 1.063 817 S CB 1.541 64.846 63.200 0.175 0.000 1.042 817 S HN 0.614 nan 8.310 nan 0.000 0.494 818 E N 1.232 121.478 120.200 0.076 0.000 2.307 818 E HA 0.068 4.418 4.350 -0.000 0.000 0.195 818 E C 0.273 176.899 176.600 0.043 0.000 0.975 818 E CA 0.568 57.013 56.400 0.075 0.000 0.878 818 E CB 0.144 29.873 29.700 0.047 0.000 0.845 818 E HN 0.780 nan 8.360 nan 0.000 0.488 819 K N 1.397 121.798 120.400 0.003 0.000 2.901 819 K HA 0.331 4.651 4.320 -0.000 0.000 0.199 819 K C -2.817 173.712 176.600 -0.118 0.000 1.140 819 K CA -2.178 54.081 56.287 -0.047 0.000 1.030 819 K CB 0.036 32.518 32.500 -0.029 0.000 1.437 819 K HN -0.208 nan 8.250 nan 0.000 0.552 820 P HA 0.123 nan 4.420 nan 0.000 0.267 820 P C -2.316 174.789 177.300 -0.325 0.000 1.209 820 P CA -1.022 61.841 63.100 -0.394 0.000 0.763 820 P CB 0.168 31.411 31.700 -0.761 0.000 0.816 821 P HA 0.051 nan 4.420 nan 0.000 0.226 821 P C 0.366 177.529 177.300 -0.229 0.000 1.783 821 P CA -0.180 62.821 63.100 -0.165 0.000 0.980 821 P CB -0.280 31.379 31.700 -0.068 0.000 1.967 822 K N 0.511 120.644 120.400 -0.445 0.000 2.616 822 K HA -0.089 4.231 4.320 -0.000 0.000 0.192 822 K C 0.531 176.926 176.600 -0.342 0.000 1.031 822 K CA 0.742 56.556 56.287 -0.788 0.000 1.004 822 K CB -0.284 31.779 32.500 -0.727 0.000 0.810 822 K HN 0.212 nan 8.250 nan 0.000 0.497 823 D N 0.055 120.345 120.400 -0.183 0.000 2.417 823 D HA -0.039 4.601 4.640 -0.000 0.000 0.207 823 D C 1.168 177.471 176.300 0.005 0.000 1.075 823 D CA -0.114 53.837 54.000 -0.080 0.000 0.851 823 D CB 0.189 40.940 40.800 -0.082 0.000 0.976 823 D HN 0.125 nan 8.370 nan 0.000 0.505 824 L N 1.148 122.388 121.223 0.028 0.000 2.693 824 L HA 0.363 4.703 4.340 -0.000 0.000 0.235 824 L C 1.432 178.412 176.870 0.183 0.000 1.127 824 L CA -0.169 54.723 54.840 0.087 0.000 0.914 824 L CB -0.244 41.851 42.059 0.061 0.000 1.193 824 L HN -0.051 nan 8.230 nan 0.000 0.502 825 G N -1.697 107.246 108.800 0.238 0.000 2.667 825 G HA2 0.062 4.022 3.960 -0.000 0.000 0.250 825 G HA3 0.062 4.022 3.960 -0.000 0.000 0.250 825 G C 0.190 175.349 174.900 0.433 0.000 1.212 825 G CA 0.071 45.322 45.100 0.253 0.000 0.874 825 G HN 0.149 nan 8.290 nan 0.000 0.561 826 Y N -0.261 120.162 120.300 0.205 0.000 2.697 826 Y HA 0.422 4.972 4.550 -0.000 0.000 0.268 826 Y C 0.778 176.821 175.900 0.238 0.000 1.092 826 Y CA -0.240 58.008 58.100 0.247 0.000 1.304 826 Y CB 0.192 38.826 38.460 0.290 0.000 1.446 826 Y HN 0.276 nan 8.280 nan 0.000 0.491 827 I N 1.708 122.268 120.570 -0.017 0.000 2.362 827 I HA 0.229 4.399 4.170 -0.000 0.000 0.289 827 I C -1.524 174.518 176.117 -0.124 0.000 0.994 827 I CA -0.778 60.411 61.300 -0.185 0.000 1.158 827 I CB 1.162 38.926 38.000 -0.393 0.000 1.315 827 I HN -0.011 nan 8.210 nan 0.000 0.451 828 Y N 5.456 125.660 120.300 -0.159 0.000 2.387 828 Y HA 0.544 5.093 4.550 -0.000 0.000 0.336 828 Y C -0.593 175.175 175.900 -0.221 0.000 1.067 828 Y CA -0.594 57.508 58.100 0.004 0.000 1.114 828 Y CB 1.583 40.105 38.460 0.103 0.000 1.208 828 Y HN 0.294 nan 8.280 nan 0.000 0.458 829 F N 2.521 122.622 119.950 0.252 0.000 2.460 829 F HA 0.410 4.937 4.527 -0.000 0.000 0.341 829 F C -1.153 174.794 175.800 0.246 0.000 1.130 829 F CA -1.171 57.021 58.000 0.320 0.000 0.962 829 F CB 0.775 40.039 39.000 0.441 0.000 1.171 829 F HN 0.334 nan 8.300 nan 0.000 0.436 830 Y N 2.227 122.750 120.300 0.372 0.000 2.328 830 Y HA 0.336 4.886 4.550 -0.000 0.000 0.337 830 Y C 0.088 176.101 175.900 0.188 0.000 0.966 830 Y CA -0.696 57.542 58.100 0.229 0.000 1.136 830 Y CB 1.596 39.996 38.460 -0.099 0.000 1.170 830 Y HN 0.493 nan 8.280 nan 0.000 0.470 831 Q N 4.535 124.445 119.800 0.183 0.000 2.243 831 Q HA 0.308 4.648 4.340 -0.000 0.000 0.252 831 Q C -0.300 175.664 176.000 -0.059 0.000 0.909 831 Q CA -0.865 54.714 55.803 -0.374 0.000 0.922 831 Q CB 0.970 29.403 28.738 -0.508 0.000 1.215 831 Q HN 0.672 nan 8.270 nan 0.000 0.427 832 R N 2.200 122.558 120.500 -0.236 0.000 2.543 832 R HA 0.150 4.490 4.340 -0.000 0.000 0.277 832 R C -0.260 175.874 176.300 -0.277 0.000 1.074 832 R CA -0.112 55.754 56.100 -0.390 0.000 1.076 832 R CB 0.660 30.736 30.300 -0.373 0.000 0.993 832 R HN 0.589 nan 8.270 nan 0.000 0.459 833 V N 1.818 121.563 119.914 -0.281 0.000 2.732 833 V HA 0.524 4.644 4.120 -0.000 0.000 0.297 833 V C 0.638 176.645 176.094 -0.145 0.000 1.060 833 V CA -0.449 61.752 62.300 -0.166 0.000 1.038 833 V CB 1.051 32.797 31.823 -0.130 0.000 1.003 833 V HN 0.976 nan 8.190 nan 0.000 0.481 834 A N 0.000 122.763 122.820 -0.094 0.000 2.254 834 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 834 A CA 0.000 51.995 52.037 -0.070 0.000 0.836 834 A CB 0.000 18.973 19.000 -0.045 0.000 0.831 834 A HN 0.000 nan 8.150 nan 0.000 0.486