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 1jmu_1_F DATA FIRST_RESID 43 DATA SEQUENCE PGGVPWIAIG DETSVTSPGA LRRMTSKDIX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXDEPLVV VTEHAIANFT KAEMALEFNR EFLDKLRVLS VSPKYSDLLT DATA SEQUENCE YVDCYVGVSA RQALNNFQKQ VPVITPTRQT MYVDSIQAAL KALEKWEIDL DATA SEQUENCE RVAQTLLPTN VPIGEVSCPM QSVVKLLDDQ LPDDSLIRRY PKEAAVALAK DATA SEQUENCE RNGGIQWMDV SEGTVMNEAV NAVAASALAP SASAPPLEEK SKLTEQAMDL DATA SEQUENCE VTAAEPEIIA SLVPVPAPVF AIPPKPADYN VRTLKIDEAT WLRMIPKTMG DATA SEQUENCE TLFQIQVTDN TGTNWHFNLR GGTRVVNLDQ IAPMRFVLDL GGKSYKETSW DATA SEQUENCE DPNGKKVGFI VFQSKIPFEL WTAASQIGQA TVVNYVQLYA EDSSFTAQSI DATA SEQUENCE IATTSLAYNY EPEQLNKTDP EMNYYLLATF IDSAAITPTN MTQPDVWDAL DATA SEQUENCE LTMSPLSAGE VTVKGAVVSE VVPAELIGSY TPESLNASLP NDAARCMIDR DATA SEQUENCE ASKIAEAIKI DDDAGPDEYS PNSVPIQGQL AISQLETGYG VRIFNPKGIL DATA SEQUENCE SKIASRAMQA FIGDPSTIIT QAAPVLSDKN NWIALAQGVK TSLRTKSLSA DATA SEQUENCE GVKTAVSKLS SSESIQNWTQ GFLDKVSTHF PAP 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 43 P HA 0.000 nan 4.420 nan 0.000 0.216 43 P C 0.000 177.321 177.300 0.035 0.000 1.155 43 P CA 0.000 63.119 63.100 0.032 0.000 0.800 43 P CB 0.000 31.711 31.700 0.018 0.000 0.726 44 G N -1.250 107.570 108.800 0.033 0.000 2.596 44 G HA2 0.743 4.703 3.960 -0.000 0.000 0.296 44 G HA3 0.743 4.703 3.960 -0.000 0.000 0.296 44 G C -0.447 174.483 174.900 0.049 0.000 1.513 44 G CA 0.762 45.884 45.100 0.036 0.000 0.851 44 G HN 1.319 nan 8.290 nan 0.000 0.548 45 G N -1.316 107.511 108.800 0.045 0.000 2.348 45 G HA2 0.395 4.355 3.960 -0.000 0.000 0.199 45 G HA3 0.395 4.355 3.960 -0.000 0.000 0.199 45 G C -1.203 173.719 174.900 0.037 0.000 1.235 45 G CA 0.526 45.669 45.100 0.071 0.000 1.264 45 G HN 1.805 nan 8.290 nan 0.000 0.543 46 V N 1.958 121.908 119.914 0.060 0.000 3.007 46 V HA 0.681 4.801 4.120 -0.000 0.000 0.311 46 V C -2.409 173.582 176.094 -0.173 0.000 1.120 46 V CA -1.247 60.987 62.300 -0.110 0.000 0.980 46 V CB 2.660 34.343 31.823 -0.233 0.000 1.033 46 V HN 0.608 nan 8.190 nan 0.000 0.429 47 P HA 0.284 nan 4.420 nan 0.000 0.282 47 P C -1.589 175.517 177.300 -0.323 0.000 1.262 47 P CA -0.101 62.888 63.100 -0.185 0.000 0.773 47 P CB 0.321 31.928 31.700 -0.155 0.000 0.879 48 W N 4.033 125.371 121.300 0.063 0.000 2.632 48 W HA 0.626 5.286 4.660 -0.000 0.000 0.328 48 W C -0.224 176.405 176.519 0.184 0.000 1.044 48 W CA -0.466 56.935 57.345 0.094 0.000 1.225 48 W CB 1.436 30.946 29.460 0.083 0.000 1.396 48 W HN 0.199 nan 8.180 nan 0.000 0.499 49 I N 2.434 123.211 120.570 0.345 0.000 2.603 49 I HA 0.672 4.842 4.170 -0.000 0.000 0.300 49 I C 0.071 176.332 176.117 0.240 0.000 1.017 49 I CA -1.111 60.370 61.300 0.303 0.000 1.098 49 I CB 1.536 39.639 38.000 0.171 0.000 1.279 49 I HN 0.552 nan 8.210 nan 0.000 0.437 50 A N 6.960 129.925 122.820 0.242 0.000 2.505 50 A HA 0.067 4.387 4.320 -0.000 0.000 0.271 50 A C 1.282 178.922 177.584 0.093 0.000 1.112 50 A CA 0.181 52.292 52.037 0.124 0.000 0.781 50 A CB -0.197 18.898 19.000 0.158 0.000 1.059 50 A HN 0.946 nan 8.150 nan 0.000 0.508 51 I N 2.125 122.733 120.570 0.063 0.000 2.182 51 I HA -0.322 3.848 4.170 -0.000 0.000 0.248 51 I C 1.538 177.683 176.117 0.046 0.000 1.073 51 I CA 2.611 63.944 61.300 0.055 0.000 1.335 51 I CB 0.156 38.178 38.000 0.037 0.000 1.031 51 I HN 0.683 nan 8.210 nan 0.000 0.420 52 G N -1.659 107.165 108.800 0.040 0.000 2.509 52 G HA2 0.042 4.002 3.960 -0.000 0.000 0.175 52 G HA3 0.042 4.002 3.960 -0.000 0.000 0.175 52 G C -0.577 174.344 174.900 0.036 0.000 1.539 52 G CA -0.137 44.984 45.100 0.035 0.000 0.665 52 G HN 0.263 nan 8.290 nan 0.000 1.105 53 D N 2.714 123.134 120.400 0.033 0.000 2.412 53 D HA 0.403 5.043 4.640 -0.000 0.000 0.224 53 D C -0.243 176.084 176.300 0.046 0.000 1.093 53 D CA -0.262 53.757 54.000 0.031 0.000 0.850 53 D CB 1.326 42.137 40.800 0.017 0.000 1.046 53 D HN 0.052 nan 8.370 nan 0.000 0.507 54 E N 1.572 121.801 120.200 0.049 0.000 2.585 54 E HA -0.005 4.345 4.350 -0.000 0.000 0.252 54 E C 0.853 177.479 176.600 0.044 0.000 0.981 54 E CA 0.468 56.903 56.400 0.058 0.000 0.943 54 E CB 0.302 30.026 29.700 0.040 0.000 0.923 54 E HN 0.505 nan 8.360 nan 0.000 0.486 55 T N 0.689 115.283 114.554 0.066 0.000 11.175 55 T HA -0.296 4.054 4.350 -0.000 0.000 0.406 55 T C 1.120 175.843 174.700 0.039 0.000 1.540 55 T CA 2.070 64.196 62.100 0.044 0.000 2.506 55 T CB -1.318 67.542 68.868 -0.013 0.000 2.817 55 T HN 0.556 nan 8.240 nan 0.000 0.982 56 S N 1.657 117.371 115.700 0.024 0.000 2.954 56 S HA 0.376 4.846 4.470 -0.000 0.000 0.234 56 S C 0.565 175.164 174.600 -0.001 0.000 0.978 56 S CA -0.219 57.987 58.200 0.009 0.000 1.045 56 S CB -0.641 62.563 63.200 0.005 0.000 0.807 56 S HN 0.624 nan 8.310 nan 0.000 0.508 57 V N 2.413 122.327 119.914 0.000 0.000 2.508 57 V HA 0.347 4.467 4.120 -0.000 0.000 0.281 57 V C 1.274 177.331 176.094 -0.062 0.000 1.041 57 V CA 0.212 62.479 62.300 -0.056 0.000 1.016 57 V CB 0.390 32.126 31.823 -0.146 0.000 0.984 57 V HN 0.702 nan 8.190 nan 0.000 0.478 58 T N -0.091 114.420 114.554 -0.072 0.000 3.313 58 T HA 0.148 4.498 4.350 -0.000 0.000 0.266 58 T C 0.846 175.500 174.700 -0.077 0.000 0.987 58 T CA 0.518 62.582 62.100 -0.059 0.000 1.086 58 T CB 0.213 69.059 68.868 -0.036 0.000 1.159 58 T HN 0.750 nan 8.240 nan 0.000 0.450 59 S N 2.119 117.771 115.700 -0.079 0.000 2.687 59 S HA 0.514 4.984 4.470 -0.000 0.000 0.283 59 S C -2.192 172.334 174.600 -0.123 0.000 1.170 59 S CA -1.224 56.925 58.200 -0.085 0.000 1.008 59 S CB 1.435 64.597 63.200 -0.063 0.000 1.026 59 S HN -0.047 nan 8.310 nan 0.000 0.541 60 P HA 0.077 nan 4.420 nan 0.000 0.222 60 P C 1.499 178.703 177.300 -0.158 0.000 1.147 60 P CA 1.191 64.176 63.100 -0.192 0.000 0.790 60 P CB -0.359 31.230 31.700 -0.184 0.000 0.780 61 G N 0.246 108.987 108.800 -0.099 0.000 2.443 61 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.219 61 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.219 61 G C 1.458 176.329 174.900 -0.048 0.000 1.131 61 G CA 0.600 45.665 45.100 -0.059 0.000 0.775 61 G HN 0.317 nan 8.290 nan 0.000 0.547 62 A N -0.423 122.353 122.820 -0.072 0.000 2.248 62 A HA 0.466 4.786 4.320 -0.000 0.000 0.210 62 A C 0.860 178.409 177.584 -0.059 0.000 1.174 62 A CA 0.256 52.256 52.037 -0.062 0.000 0.750 62 A CB -0.179 18.772 19.000 -0.081 0.000 0.780 62 A HN 0.333 nan 8.150 nan 0.000 0.478 63 L N -0.500 120.687 121.223 -0.059 0.000 2.319 63 L HA 0.650 4.990 4.340 -0.000 0.000 0.267 63 L C 0.157 177.148 176.870 0.202 0.000 1.011 63 L CA -1.078 53.777 54.840 0.025 0.000 0.818 63 L CB 1.894 43.893 42.059 -0.100 0.000 1.316 63 L HN 0.491 nan 8.230 nan 0.000 0.432 64 R N 0.347 121.058 120.500 0.353 0.000 2.668 64 R HA 0.499 4.839 4.340 -0.000 0.000 0.272 64 R C -1.179 175.252 176.300 0.219 0.000 1.019 64 R CA -1.090 55.209 56.100 0.333 0.000 0.894 64 R CB 1.246 31.634 30.300 0.145 0.000 1.228 64 R HN 0.345 nan 8.270 nan 0.000 0.460 65 R N 2.675 123.111 120.500 -0.107 0.000 2.483 65 R HA -0.025 4.315 4.340 -0.000 0.000 0.329 65 R C 0.147 176.288 176.300 -0.266 0.000 0.961 65 R CA 0.234 56.005 56.100 -0.548 0.000 1.041 65 R CB 0.020 30.019 30.300 -0.501 0.000 0.930 65 R HN 0.707 nan 8.270 nan 0.000 0.413 66 M N 2.895 122.342 119.600 -0.255 0.000 2.269 66 M HA -0.053 4.427 4.480 -0.000 0.000 0.350 66 M C 0.436 176.652 176.300 -0.141 0.000 1.429 66 M CA 0.723 55.948 55.300 -0.124 0.000 1.063 66 M CB 0.507 33.053 32.600 -0.090 0.000 1.841 66 M HN 0.695 nan 8.290 nan 0.000 0.455 67 T N 0.411 114.911 114.554 -0.089 0.000 2.919 67 T HA 0.416 4.766 4.350 -0.000 0.000 0.282 67 T C 1.061 175.722 174.700 -0.066 0.000 1.020 67 T CA -0.269 61.781 62.100 -0.084 0.000 0.994 67 T CB 1.183 70.013 68.868 -0.064 0.000 1.180 67 T HN 0.751 nan 8.240 nan 0.000 0.566 68 S N -0.333 115.330 115.700 -0.061 0.000 2.419 68 S HA -0.099 4.371 4.470 -0.000 0.000 0.233 68 S C 1.613 176.190 174.600 -0.037 0.000 1.016 68 S CA 0.838 59.007 58.200 -0.052 0.000 0.974 68 S CB -0.694 62.476 63.200 -0.049 0.000 0.786 68 S HN 0.767 nan 8.310 nan 0.000 0.492 69 K N 1.097 121.478 120.400 -0.031 0.000 2.611 69 K HA -0.007 4.313 4.320 -0.000 0.000 0.193 69 K C -0.314 176.278 176.600 -0.014 0.000 1.026 69 K CA 0.677 56.952 56.287 -0.020 0.000 1.063 69 K CB -0.108 32.383 32.500 -0.016 0.000 0.839 69 K HN 0.304 nan 8.250 nan 0.000 0.505 70 D N -0.346 120.044 120.400 -0.018 0.000 2.469 70 D HA 0.193 4.833 4.640 -0.000 0.000 0.215 70 D C -0.514 175.781 176.300 -0.009 0.000 1.154 70 D CA 0.018 54.013 54.000 -0.007 0.000 0.832 70 D CB 0.490 41.287 40.800 -0.005 0.000 1.008 70 D HN 0.058 nan 8.370 nan 0.000 0.506 98 E N 0.719 120.894 120.200 -0.041 0.000 2.392 98 E HA 0.331 4.681 4.350 -0.000 0.000 0.259 98 E C -2.268 174.291 176.600 -0.067 0.000 1.108 98 E CA -1.383 54.988 56.400 -0.049 0.000 0.916 98 E CB 0.783 30.453 29.700 -0.048 0.000 0.989 98 E HN 0.130 nan 8.360 nan 0.000 0.432 99 P HA 0.158 nan 4.420 nan 0.000 0.276 99 P C -0.744 176.483 177.300 -0.122 0.000 1.261 99 P CA -0.200 62.832 63.100 -0.114 0.000 0.800 99 P CB 0.643 32.270 31.700 -0.122 0.000 1.066 100 L N -0.246 120.881 121.223 -0.160 0.000 2.313 100 L HA 0.686 5.026 4.340 -0.000 0.000 0.268 100 L C -0.567 176.206 176.870 -0.163 0.000 1.010 100 L CA -1.065 53.684 54.840 -0.152 0.000 0.814 100 L CB 1.790 43.757 42.059 -0.154 0.000 1.304 100 L HN 0.028 nan 8.230 nan 0.000 0.441 101 V N 1.044 120.876 119.914 -0.137 0.000 2.841 101 V HA 0.314 4.434 4.120 -0.000 0.000 0.310 101 V C -0.322 175.706 176.094 -0.110 0.000 1.090 101 V CA -0.741 61.491 62.300 -0.114 0.000 0.930 101 V CB 2.567 34.341 31.823 -0.081 0.000 1.014 101 V HN 0.373 nan 8.190 nan 0.000 0.425 102 V N 4.660 124.523 119.914 -0.084 0.000 2.470 102 V HA 0.172 4.292 4.120 -0.000 0.000 0.276 102 V C 0.196 176.257 176.094 -0.055 0.000 1.040 102 V CA -0.207 62.047 62.300 -0.077 0.000 1.008 102 V CB 1.378 33.178 31.823 -0.039 0.000 0.990 102 V HN 0.595 nan 8.190 nan 0.000 0.477 103 V N 5.884 125.747 119.914 -0.086 0.000 2.389 103 V HA 0.199 4.319 4.120 -0.000 0.000 0.264 103 V C 0.914 177.020 176.094 0.020 0.000 1.049 103 V CA -0.326 61.955 62.300 -0.031 0.000 0.932 103 V CB 1.242 33.003 31.823 -0.103 0.000 1.011 103 V HN 1.077 nan 8.190 nan 0.000 0.475 104 T N 1.930 116.534 114.554 0.082 0.000 2.856 104 T HA 0.097 4.447 4.350 -0.000 0.000 0.306 104 T C 1.360 176.147 174.700 0.145 0.000 1.062 104 T CA -0.029 62.134 62.100 0.105 0.000 1.083 104 T CB 0.907 69.847 68.868 0.120 0.000 0.984 104 T HN 0.779 nan 8.240 nan 0.000 0.542 105 E N 1.355 121.633 120.200 0.130 0.000 2.097 105 E HA -0.337 4.013 4.350 -0.000 0.000 0.196 105 E C 1.718 178.415 176.600 0.162 0.000 1.000 105 E CA 1.874 58.352 56.400 0.131 0.000 0.804 105 E CB -0.969 28.794 29.700 0.106 0.000 0.740 105 E HN 0.898 nan 8.360 nan 0.000 0.454 106 H N 1.460 120.580 119.070 0.084 0.000 2.293 106 H HA 0.021 4.577 4.556 -0.000 0.000 0.300 106 H C 2.100 177.496 175.328 0.113 0.000 1.082 106 H CA 2.270 58.365 56.048 0.077 0.000 1.308 106 H CB -0.240 29.557 29.762 0.059 0.000 1.375 106 H HN 0.277 nan 8.280 nan 0.000 0.495 107 A N 1.270 124.319 122.820 0.382 0.000 1.948 107 A HA -0.157 4.163 4.320 -0.000 0.000 0.220 107 A C 2.850 180.690 177.584 0.427 0.000 1.177 107 A CA 1.683 53.986 52.037 0.444 0.000 0.636 107 A CB -0.863 18.392 19.000 0.425 0.000 0.815 107 A HN 0.477 nan 8.150 nan 0.000 0.449 108 I N -0.508 120.265 120.570 0.337 0.000 2.142 108 I HA -0.283 3.887 4.170 -0.000 0.000 0.240 108 I C 3.026 179.275 176.117 0.220 0.000 1.078 108 I CA 1.115 62.627 61.300 0.353 0.000 1.343 108 I CB -0.486 37.668 38.000 0.257 0.000 1.046 108 I HN 0.372 nan 8.210 nan 0.000 0.405 109 A N 1.004 123.894 122.820 0.115 0.000 1.908 109 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 109 A C 1.992 179.570 177.584 -0.011 0.000 1.181 109 A CA 2.521 54.577 52.037 0.031 0.000 0.627 109 A CB -0.929 18.043 19.000 -0.048 0.000 0.818 109 A HN 0.474 nan 8.150 nan 0.000 0.445 110 N N -1.362 117.300 118.700 -0.063 0.000 2.207 110 N HA 0.025 4.765 4.740 -0.000 0.000 0.182 110 N C 1.275 176.691 175.510 -0.156 0.000 1.020 110 N CA 1.274 54.236 53.050 -0.148 0.000 0.858 110 N CB -0.340 38.004 38.487 -0.239 0.000 0.991 110 N HN 0.458 nan 8.380 nan 0.000 0.427 111 F N 0.748 120.632 119.950 -0.109 0.000 2.293 111 F HA -0.088 4.439 4.527 -0.000 0.000 0.300 111 F C 2.272 178.051 175.800 -0.036 0.000 1.086 111 F CA 0.852 58.761 58.000 -0.153 0.000 1.375 111 F CB -0.450 38.229 39.000 -0.534 0.000 1.045 111 F HN 0.022 nan 8.300 nan 0.000 0.516 112 T N -0.422 114.227 114.554 0.158 0.000 2.777 112 T HA -0.156 4.194 4.350 -0.000 0.000 0.266 112 T C 1.891 176.667 174.700 0.126 0.000 1.040 112 T CA 1.103 63.308 62.100 0.175 0.000 1.141 112 T CB -0.159 68.803 68.868 0.156 0.000 0.868 112 T HN 0.208 nan 8.240 nan 0.000 0.444 113 K N 1.061 121.503 120.400 0.069 0.000 2.283 113 K HA 0.119 4.439 4.320 -0.000 0.000 0.202 113 K C 2.573 179.206 176.600 0.055 0.000 1.048 113 K CA 0.832 57.151 56.287 0.054 0.000 0.948 113 K CB -0.161 32.343 32.500 0.007 0.000 0.742 113 K HN 0.275 nan 8.250 nan 0.000 0.458 114 A N 1.780 124.621 122.820 0.035 0.000 1.873 114 A HA -0.197 4.123 4.320 -0.000 0.000 0.215 114 A C 1.873 179.502 177.584 0.075 0.000 1.186 114 A CA 1.362 53.413 52.037 0.024 0.000 0.616 114 A CB -0.346 18.656 19.000 0.002 0.000 0.823 114 A HN 0.268 nan 8.150 nan 0.000 0.442 115 E N -0.493 119.779 120.200 0.121 0.000 2.097 115 E HA -0.232 4.118 4.350 -0.000 0.000 0.196 115 E C 2.075 178.757 176.600 0.136 0.000 1.000 115 E CA 1.589 58.066 56.400 0.129 0.000 0.804 115 E CB -0.302 29.504 29.700 0.176 0.000 0.740 115 E HN 0.508 nan 8.360 nan 0.000 0.454 116 M N 0.229 119.923 119.600 0.157 0.000 2.144 116 M HA -0.186 4.294 4.480 -0.000 0.000 0.260 116 M C 2.490 179.006 176.300 0.360 0.000 1.067 116 M CA 1.458 56.893 55.300 0.225 0.000 1.095 116 M CB -1.260 31.494 32.600 0.258 0.000 1.365 116 M HN 0.139 nan 8.290 nan 0.000 0.406 117 A N 0.701 123.660 122.820 0.231 0.000 1.958 117 A HA -0.170 4.150 4.320 -0.000 0.000 0.221 117 A C 2.345 180.055 177.584 0.210 0.000 1.178 117 A CA 1.632 53.767 52.037 0.165 0.000 0.642 117 A CB -0.922 18.107 19.000 0.048 0.000 0.816 117 A HN 0.527 nan 8.150 nan 0.000 0.453 118 L N -1.177 120.147 121.223 0.169 0.000 2.068 118 L HA -0.073 4.267 4.340 -0.000 0.000 0.204 118 L C 2.334 179.304 176.870 0.167 0.000 1.076 118 L CA 0.883 55.807 54.840 0.140 0.000 0.753 118 L CB -0.673 41.433 42.059 0.079 0.000 0.910 118 L HN 0.228 nan 8.230 nan 0.000 0.439 119 E N 0.183 120.477 120.200 0.156 0.000 2.331 119 E HA -0.177 4.173 4.350 -0.000 0.000 0.199 119 E C 1.964 178.612 176.600 0.081 0.000 1.008 119 E CA 1.057 57.510 56.400 0.088 0.000 0.843 119 E CB -0.277 29.441 29.700 0.030 0.000 0.761 119 E HN 0.402 nan 8.360 nan 0.000 0.507 120 F N 1.132 121.132 119.950 0.082 0.000 2.451 120 F HA -0.064 4.463 4.527 0.000 0.000 0.299 120 F C 1.190 177.083 175.800 0.155 0.000 1.101 120 F CA 0.841 58.904 58.000 0.105 0.000 1.436 120 F CB 0.250 39.310 39.000 0.099 0.000 1.074 120 F HN -0.007 nan 8.300 nan 0.000 0.553 121 N N -0.544 118.345 118.700 0.314 0.000 2.433 121 N HA 0.070 4.810 4.740 -0.000 0.000 0.270 121 N C 1.357 176.933 175.510 0.110 0.000 1.354 121 N CA -0.033 53.187 53.050 0.283 0.000 0.889 121 N CB 0.425 39.125 38.487 0.356 0.000 1.285 121 N HN 0.054 nan 8.380 nan 0.000 0.503 122 R N 2.280 122.825 120.500 0.074 0.000 2.083 122 R HA -0.118 4.222 4.340 -0.000 0.000 0.237 122 R C 1.613 177.887 176.300 -0.043 0.000 1.137 122 R CA 1.798 57.900 56.100 0.004 0.000 0.951 122 R CB -0.226 30.076 30.300 0.002 0.000 0.851 122 R HN 0.177 nan 8.270 nan 0.000 0.434 123 E N -0.218 119.978 120.200 -0.008 0.000 2.130 123 E HA -0.227 4.123 4.350 -0.000 0.000 0.196 123 E C 1.975 178.504 176.600 -0.118 0.000 0.998 123 E CA 1.290 57.672 56.400 -0.029 0.000 0.806 123 E CB -0.739 28.982 29.700 0.035 0.000 0.738 123 E HN 0.420 nan 8.360 nan 0.000 0.459 124 F N 1.514 121.243 119.950 -0.368 0.000 2.149 124 F HA 0.013 4.540 4.527 -0.000 0.000 0.294 124 F C 2.274 177.733 175.800 -0.568 0.000 1.095 124 F CA 0.716 58.275 58.000 -0.736 0.000 1.276 124 F CB -0.403 37.678 39.000 -1.531 0.000 1.023 124 F HN -0.123 nan 8.300 nan 0.000 0.480 125 L N 0.191 121.109 121.223 -0.508 0.000 2.051 125 L HA -0.297 4.043 4.340 -0.000 0.000 0.214 125 L C 2.206 178.824 176.870 -0.420 0.000 1.076 125 L CA 1.818 56.380 54.840 -0.464 0.000 0.758 125 L CB -0.748 41.194 42.059 -0.196 0.000 0.890 125 L HN 0.172 nan 8.230 nan 0.000 0.433 126 D N -0.374 119.846 120.400 -0.300 0.000 2.103 126 D HA -0.186 4.454 4.640 -0.000 0.000 0.199 126 D C 2.058 178.203 176.300 -0.257 0.000 0.978 126 D CA 1.016 54.883 54.000 -0.221 0.000 0.829 126 D CB -0.064 40.654 40.800 -0.136 0.000 0.981 126 D HN 0.040 nan 8.370 nan 0.000 0.464 127 K N 0.392 120.606 120.400 -0.310 0.000 2.520 127 K HA -0.088 4.232 4.320 -0.000 0.000 0.197 127 K C 1.444 177.828 176.600 -0.360 0.000 1.043 127 K CA 0.321 56.455 56.287 -0.255 0.000 0.944 127 K CB -0.161 32.218 32.500 -0.201 0.000 0.770 127 K HN 0.027 nan 8.250 nan 0.000 0.480 128 L N 0.177 121.068 121.223 -0.553 0.000 2.640 128 L HA 0.289 4.629 4.340 -0.000 0.000 0.230 128 L C -0.490 176.199 176.870 -0.301 0.000 1.123 128 L CA 0.377 54.892 54.840 -0.542 0.000 0.900 128 L CB -0.010 41.503 42.059 -0.910 0.000 1.146 128 L HN 0.109 nan 8.230 nan 0.000 0.484 129 R N -0.727 119.630 120.500 -0.238 0.000 3.264 129 R HA -0.148 4.192 4.340 -0.000 0.000 0.251 129 R C -0.741 175.477 176.300 -0.137 0.000 0.971 129 R CA 0.811 56.821 56.100 -0.151 0.000 0.658 129 R CB -1.990 28.247 30.300 -0.105 0.000 1.095 129 R HN 0.167 nan 8.270 nan 0.000 0.443 130 V N 0.751 120.571 119.914 -0.158 0.000 2.932 130 V HA 0.404 4.524 4.120 -0.000 0.000 0.307 130 V C 0.210 176.241 176.094 -0.105 0.000 1.147 130 V CA -0.551 61.676 62.300 -0.121 0.000 0.951 130 V CB 1.923 33.667 31.823 -0.133 0.000 1.031 130 V HN 0.444 nan 8.190 nan 0.000 0.426 131 L N 5.277 126.458 121.223 -0.069 0.000 3.887 131 L HA -0.188 4.152 4.340 -0.000 0.000 0.546 131 L C 1.387 178.227 176.870 -0.049 0.000 1.196 131 L CA 1.177 55.988 54.840 -0.049 0.000 0.777 131 L CB -0.129 41.904 42.059 -0.043 0.000 1.346 131 L HN 1.103 nan 8.230 nan 0.000 0.810 132 S N -1.478 114.194 115.700 -0.047 0.000 2.496 132 S HA 0.090 4.560 4.470 -0.000 0.000 0.224 132 S C 0.732 175.320 174.600 -0.020 0.000 0.996 132 S CA 0.479 58.654 58.200 -0.042 0.000 0.927 132 S CB 0.203 63.376 63.200 -0.044 0.000 0.774 132 S HN 0.360 nan 8.310 nan 0.000 0.524 133 V N 4.273 124.180 119.914 -0.011 0.000 2.222 133 V HA 0.269 4.389 4.120 -0.000 0.000 0.253 133 V C 0.493 176.600 176.094 0.022 0.000 1.210 133 V CA -0.438 61.867 62.300 0.007 0.000 1.079 133 V CB -0.657 31.172 31.823 0.010 0.000 1.265 133 V HN 0.579 nan 8.190 nan 0.000 0.494 134 S N 4.369 120.085 115.700 0.027 0.000 2.589 134 S HA 0.107 4.577 4.470 -0.000 0.000 0.306 134 S C -0.993 173.659 174.600 0.086 0.000 1.221 134 S CA -0.741 57.487 58.200 0.047 0.000 1.159 134 S CB 0.293 63.521 63.200 0.046 0.000 0.990 134 S HN 0.516 nan 8.310 nan 0.000 0.514 135 P HA -0.300 nan 4.420 nan 0.000 0.232 135 P C 0.250 177.732 177.300 0.303 0.000 1.135 135 P CA 2.031 65.254 63.100 0.205 0.000 0.969 135 P CB -0.247 31.544 31.700 0.150 0.000 0.777 136 K N -3.357 117.210 120.400 0.278 0.000 5.502 136 K HA -0.277 4.043 4.320 -0.000 0.000 0.379 136 K C 0.579 177.306 176.600 0.212 0.000 0.908 136 K CA 0.088 56.510 56.287 0.224 0.000 1.130 136 K CB -1.233 31.342 32.500 0.126 0.000 1.893 136 K HN 0.051 nan 8.250 nan 0.000 0.379 137 Y N 2.200 122.519 120.300 0.031 0.000 2.097 137 Y HA -0.290 4.260 4.550 -0.000 0.000 0.282 137 Y C 2.333 178.107 175.900 -0.211 0.000 1.152 137 Y CA 2.487 60.372 58.100 -0.359 0.000 1.136 137 Y CB -0.529 37.693 38.460 -0.397 0.000 0.975 137 Y HN 0.721 nan 8.280 nan 0.000 0.498 138 S N -0.716 114.966 115.700 -0.031 0.000 2.462 138 S HA -0.209 4.261 4.470 -0.000 0.000 0.243 138 S C 1.628 176.186 174.600 -0.069 0.000 1.003 138 S CA 1.605 59.769 58.200 -0.060 0.000 0.970 138 S CB -0.523 62.712 63.200 0.057 0.000 0.762 138 S HN 0.489 nan 8.310 nan 0.000 0.510 139 D N 1.604 121.966 120.400 -0.063 0.000 2.123 139 D HA 0.074 4.714 4.640 -0.000 0.000 0.200 139 D C 1.584 177.826 176.300 -0.098 0.000 0.976 139 D CA 0.808 54.782 54.000 -0.043 0.000 0.831 139 D CB -0.336 40.463 40.800 -0.001 0.000 0.974 139 D HN 0.371 nan 8.370 nan 0.000 0.469 140 L N 0.247 121.356 121.223 -0.191 0.000 2.478 140 L HA 0.058 4.398 4.340 -0.000 0.000 0.223 140 L C 0.791 177.481 176.870 -0.300 0.000 1.140 140 L CA 0.390 55.096 54.840 -0.224 0.000 0.842 140 L CB -0.525 41.384 42.059 -0.250 0.000 0.953 140 L HN -0.012 nan 8.230 nan 0.000 0.452 141 L N -0.358 120.639 121.223 -0.377 0.000 2.439 141 L HA 0.190 4.530 4.340 -0.000 0.000 0.269 141 L C 0.023 176.724 176.870 -0.282 0.000 1.179 141 L CA 0.211 54.794 54.840 -0.428 0.000 0.828 141 L CB 0.314 42.063 42.059 -0.518 0.000 1.106 141 L HN 0.012 nan 8.230 nan 0.000 0.467 142 T N 1.484 115.826 114.554 -0.354 0.000 2.930 142 T HA 0.358 4.708 4.350 -0.000 0.000 0.313 142 T C -0.716 173.815 174.700 -0.282 0.000 1.019 142 T CA -0.502 61.484 62.100 -0.190 0.000 1.004 142 T CB 0.285 69.073 68.868 -0.133 0.000 0.987 142 T HN 0.105 nan 8.240 nan 0.000 0.456 143 Y N 2.029 122.278 120.300 -0.086 0.000 2.377 143 Y HA 0.486 5.036 4.550 0.000 0.000 0.330 143 Y C 0.459 176.319 175.900 -0.068 0.000 1.108 143 Y CA -0.510 57.544 58.100 -0.076 0.000 1.308 143 Y CB 0.495 38.916 38.460 -0.064 0.000 1.216 143 Y HN 0.297 nan 8.280 nan 0.000 0.518 144 V N 3.108 123.023 119.914 0.002 0.000 2.971 144 V HA 0.244 4.364 4.120 -0.000 0.000 0.309 144 V C -0.992 175.058 176.094 -0.072 0.000 1.130 144 V CA -1.280 61.005 62.300 -0.026 0.000 0.964 144 V CB 2.421 34.208 31.823 -0.060 0.000 1.029 144 V HN 0.561 nan 8.190 nan 0.000 0.427 145 D N 2.817 123.177 120.400 -0.068 0.000 2.264 145 D HA 0.712 5.352 4.640 -0.000 0.000 0.250 145 D C -0.226 175.893 176.300 -0.303 0.000 1.113 145 D CA 0.340 54.231 54.000 -0.182 0.000 0.871 145 D CB 1.045 41.871 40.800 0.042 0.000 1.167 145 D HN 0.994 nan 8.370 nan 0.000 0.447 146 C N 0.464 119.298 119.300 -0.777 0.000 3.167 146 C HA 0.433 4.893 4.460 -0.000 0.000 0.348 146 C C -1.497 173.056 174.990 -0.729 0.000 1.394 146 C CA -1.276 57.417 59.018 -0.541 0.000 1.204 146 C CB -0.173 27.491 27.740 -0.127 0.000 1.467 146 C HN 0.487 nan 8.230 nan 0.000 0.446 147 Y N 0.518 120.779 120.300 -0.064 0.000 2.304 147 Y HA 0.620 5.170 4.550 -0.000 0.000 0.328 147 Y C 0.585 176.568 175.900 0.138 0.000 1.123 147 Y CA -0.258 57.888 58.100 0.076 0.000 1.218 147 Y CB 1.155 39.742 38.460 0.212 0.000 1.207 147 Y HN 0.597 nan 8.280 nan 0.000 0.495 148 V N 2.273 122.325 119.914 0.230 0.000 2.604 148 V HA 0.952 5.072 4.120 -0.000 0.000 0.305 148 V C 0.108 176.343 176.094 0.235 0.000 1.043 148 V CA -0.522 61.916 62.300 0.229 0.000 0.888 148 V CB 1.505 33.373 31.823 0.076 0.000 0.995 148 V HN 0.973 nan 8.190 nan 0.000 0.429 149 G N 2.192 111.187 108.800 0.325 0.000 2.340 149 G HA2 0.361 4.321 3.960 -0.000 0.000 0.298 149 G HA3 0.361 4.321 3.960 -0.000 0.000 0.298 149 G C -0.238 174.882 174.900 0.365 0.000 1.498 149 G CA -0.015 45.227 45.100 0.236 0.000 0.847 149 G HN 0.392 nan 8.290 nan 0.000 0.594 150 V N 0.258 120.300 119.914 0.215 0.000 2.591 150 V HA 0.141 4.261 4.120 -0.000 0.000 0.249 150 V C 1.742 177.998 176.094 0.270 0.000 1.053 150 V CA 2.191 64.621 62.300 0.217 0.000 1.068 150 V CB -0.030 31.862 31.823 0.114 0.000 0.689 150 V HN 1.088 nan 8.190 nan 0.000 0.462 151 S N -0.985 114.785 115.700 0.118 0.000 2.726 151 S HA 0.734 5.204 4.470 -0.000 0.000 0.308 151 S C 0.893 175.207 174.600 -0.478 0.000 1.115 151 S CA -0.020 58.155 58.200 -0.042 0.000 0.965 151 S CB 1.954 65.113 63.200 -0.069 0.000 1.145 151 S HN 0.188 nan 8.310 nan 0.000 0.532 152 A N 1.153 123.542 122.820 -0.718 0.000 1.854 152 A HA 0.037 4.357 4.320 -0.000 0.000 0.214 152 A C 2.222 179.466 177.584 -0.567 0.000 1.192 152 A CA 1.471 52.878 52.037 -1.050 0.000 0.611 152 A CB -1.123 17.430 19.000 -0.745 0.000 0.832 152 A HN 0.958 nan 8.150 nan 0.000 0.442 153 R N -0.277 120.024 120.500 -0.332 0.000 2.115 153 R HA -0.275 4.065 4.340 -0.000 0.000 0.239 153 R C 2.465 178.668 176.300 -0.162 0.000 1.133 153 R CA 2.340 58.318 56.100 -0.203 0.000 0.935 153 R CB -0.503 29.719 30.300 -0.130 0.000 0.853 153 R HN 0.706 nan 8.270 nan 0.000 0.433 154 Q N -0.247 119.470 119.800 -0.139 0.000 2.030 154 Q HA -0.225 4.115 4.340 -0.000 0.000 0.204 154 Q C 2.017 177.980 176.000 -0.062 0.000 0.986 154 Q CA 2.130 57.890 55.803 -0.071 0.000 0.843 154 Q CB -0.305 28.413 28.738 -0.034 0.000 0.904 154 Q HN 0.520 nan 8.270 nan 0.000 0.420 155 A N 1.034 123.768 122.820 -0.143 0.000 1.917 155 A HA -0.224 4.096 4.320 -0.000 0.000 0.219 155 A C 2.042 179.642 177.584 0.027 0.000 1.182 155 A CA 1.568 53.562 52.037 -0.071 0.000 0.633 155 A CB -0.980 17.792 19.000 -0.380 0.000 0.819 155 A HN 0.535 nan 8.150 nan 0.000 0.448 156 L N 0.546 121.688 121.223 -0.135 0.000 2.089 156 L HA -0.180 4.160 4.340 -0.000 0.000 0.213 156 L C 0.917 177.838 176.870 0.085 0.000 1.079 156 L CA 2.067 56.837 54.840 -0.117 0.000 0.758 156 L CB -0.660 41.291 42.059 -0.181 0.000 0.891 156 L HN 0.478 nan 8.230 nan 0.000 0.433 157 N N -0.216 118.534 118.700 0.084 0.000 2.380 157 N HA 0.069 4.809 4.740 -0.000 0.000 0.255 157 N C -0.364 175.231 175.510 0.141 0.000 1.158 157 N CA 0.080 53.198 53.050 0.113 0.000 0.878 157 N CB -0.024 38.494 38.487 0.052 0.000 1.138 157 N HN 0.301 nan 8.380 nan 0.000 0.509 158 N N 0.726 119.552 118.700 0.210 0.000 2.722 158 N HA 0.114 4.854 4.740 -0.000 0.000 0.242 158 N C -1.640 173.974 175.510 0.174 0.000 1.398 158 N CA -0.428 52.720 53.050 0.163 0.000 0.755 158 N CB 0.170 38.720 38.487 0.105 0.000 1.268 158 N HN -0.018 nan 8.380 nan 0.000 0.522 159 F N 1.717 121.667 119.950 -0.000 0.000 2.399 159 F HA 0.503 5.030 4.527 0.000 0.000 0.342 159 F C -0.207 175.534 175.800 -0.098 0.000 1.106 159 F CA 0.273 58.158 58.000 -0.192 0.000 1.196 159 F CB 0.769 39.555 39.000 -0.357 0.000 1.163 159 F HN 0.252 nan 8.300 nan 0.000 0.547 160 Q N 4.873 124.225 119.800 -0.746 0.000 2.397 160 Q HA 0.361 4.701 4.340 -0.000 0.000 0.275 160 Q C -1.298 174.423 176.000 -0.465 0.000 1.090 160 Q CA -1.051 54.523 55.803 -0.381 0.000 0.809 160 Q CB 2.618 31.226 28.738 -0.217 0.000 1.362 160 Q HN 0.638 nan 8.270 nan 0.000 0.431 161 K N 1.967 122.277 120.400 -0.150 0.000 2.206 161 K HA 0.273 4.593 4.320 -0.000 0.000 0.264 161 K C -0.551 176.035 176.600 -0.023 0.000 0.967 161 K CA -0.557 55.694 56.287 -0.060 0.000 0.844 161 K CB 1.023 33.550 32.500 0.045 0.000 1.099 161 K HN 0.378 nan 8.250 nan 0.000 0.441 162 Q N -0.126 119.678 119.800 0.006 0.000 2.459 162 Q HA -0.135 4.205 4.340 -0.000 0.000 0.314 162 Q C -0.928 175.159 176.000 0.145 0.000 1.432 162 Q CA 0.348 56.219 55.803 0.113 0.000 0.823 162 Q CB -1.939 26.857 28.738 0.096 0.000 1.124 162 Q HN 0.384 nan 8.270 nan 0.000 0.392 163 V N 1.555 121.474 119.914 0.008 0.000 2.406 163 V HA 0.266 4.386 4.120 -0.000 0.000 0.272 163 V C -1.791 174.173 176.094 -0.217 0.000 1.043 163 V CA -1.437 60.822 62.300 -0.069 0.000 0.915 163 V CB 1.388 33.144 31.823 -0.113 0.000 0.988 163 V HN 0.149 nan 8.190 nan 0.000 0.466 164 P HA 0.209 nan 4.420 nan 0.000 0.267 164 P C -0.748 176.311 177.300 -0.402 0.000 1.209 164 P CA 0.322 63.019 63.100 -0.671 0.000 0.763 164 P CB 0.673 32.087 31.700 -0.477 0.000 0.816 165 V N 5.468 125.134 119.914 -0.414 0.000 2.962 165 V HA 0.618 4.738 4.120 -0.000 0.000 0.313 165 V C -0.137 175.797 176.094 -0.267 0.000 1.099 165 V CA -0.695 61.442 62.300 -0.272 0.000 0.971 165 V CB 2.518 34.216 31.823 -0.208 0.000 1.028 165 V HN 0.451 nan 8.190 nan 0.000 0.430 166 I N 1.610 122.055 120.570 -0.207 0.000 2.882 166 I HA 0.519 4.689 4.170 -0.000 0.000 0.298 166 I C -0.301 175.735 176.117 -0.134 0.000 1.462 166 I CA -0.221 60.966 61.300 -0.188 0.000 1.000 166 I CB 2.852 40.714 38.000 -0.230 0.000 1.340 166 I HN 0.845 nan 8.210 nan 0.000 0.462 167 T N 2.386 116.874 114.554 -0.111 0.000 2.909 167 T HA 0.449 4.799 4.350 -0.000 0.000 0.289 167 T C -2.204 172.458 174.700 -0.064 0.000 1.005 167 T CA -1.547 60.502 62.100 -0.084 0.000 1.084 167 T CB 1.452 70.279 68.868 -0.069 0.000 0.975 167 T HN 0.341 nan 8.240 nan 0.000 0.509 168 P HA -0.141 nan 4.420 nan 0.000 0.215 168 P C 1.730 179.019 177.300 -0.018 0.000 1.163 168 P CA 1.442 64.522 63.100 -0.032 0.000 0.894 168 P CB -0.278 31.405 31.700 -0.029 0.000 0.791 169 T N -1.013 113.529 114.554 -0.019 0.000 2.737 169 T HA -0.216 4.134 4.350 -0.000 0.000 0.269 169 T C 1.891 176.591 174.700 0.001 0.000 1.040 169 T CA 1.483 63.578 62.100 -0.008 0.000 1.142 169 T CB -0.473 68.388 68.868 -0.013 0.000 0.861 169 T HN 0.157 nan 8.240 nan 0.000 0.456 170 R N 0.350 120.843 120.500 -0.012 0.000 2.093 170 R HA -0.051 4.289 4.340 -0.000 0.000 0.224 170 R C 2.560 178.880 176.300 0.033 0.000 1.101 170 R CA 1.114 57.213 56.100 -0.001 0.000 0.979 170 R CB -0.127 30.148 30.300 -0.042 0.000 0.877 170 R HN 0.236 nan 8.270 nan 0.000 0.441 171 Q N 0.057 119.861 119.800 0.008 0.000 2.050 171 Q HA -0.109 4.231 4.340 -0.000 0.000 0.202 171 Q C 1.618 177.668 176.000 0.084 0.000 0.980 171 Q CA 2.585 58.408 55.803 0.034 0.000 0.840 171 Q CB -0.391 28.333 28.738 -0.022 0.000 0.898 171 Q HN 0.233 nan 8.270 nan 0.000 0.424 172 T N 1.214 115.798 114.554 0.049 0.000 2.674 172 T HA -0.161 4.189 4.350 -0.000 0.000 0.265 172 T C 1.613 176.348 174.700 0.059 0.000 1.039 172 T CA 1.524 63.653 62.100 0.049 0.000 1.150 172 T CB -0.394 68.490 68.868 0.028 0.000 0.864 172 T HN 0.393 nan 8.240 nan 0.000 0.427 173 M N 0.385 120.021 119.600 0.059 0.000 2.144 173 M HA -0.184 4.296 4.480 -0.000 0.000 0.260 173 M C 2.158 178.511 176.300 0.088 0.000 1.067 173 M CA 1.868 57.202 55.300 0.058 0.000 1.095 173 M CB -0.622 32.009 32.600 0.052 0.000 1.365 173 M HN 0.386 nan 8.290 nan 0.000 0.406 174 Y N 1.051 121.359 120.300 0.013 0.000 2.089 174 Y HA -0.198 4.352 4.550 0.000 0.000 0.282 174 Y C 2.136 178.058 175.900 0.037 0.000 1.139 174 Y CA 2.373 60.495 58.100 0.037 0.000 1.123 174 Y CB -0.920 37.583 38.460 0.072 0.000 0.980 174 Y HN 0.049 nan 8.280 nan 0.000 0.493 175 V N 0.957 120.824 119.914 -0.078 0.000 2.392 175 V HA -0.320 3.800 4.120 -0.000 0.000 0.249 175 V C 2.026 178.054 176.094 -0.111 0.000 1.059 175 V CA 2.251 64.475 62.300 -0.125 0.000 1.051 175 V CB -0.719 31.148 31.823 0.073 0.000 0.658 175 V HN 0.450 nan 8.190 nan 0.000 0.455 176 D N 0.217 120.586 120.400 -0.053 0.000 2.263 176 D HA -0.117 4.523 4.640 -0.000 0.000 0.208 176 D C 2.396 178.657 176.300 -0.064 0.000 0.971 176 D CA 1.670 55.647 54.000 -0.039 0.000 0.867 176 D CB -0.009 40.784 40.800 -0.011 0.000 0.929 176 D HN 0.640 nan 8.370 nan 0.000 0.492 177 S N 0.116 115.752 115.700 -0.108 0.000 2.395 177 S HA -0.038 4.432 4.470 -0.000 0.000 0.225 177 S C 2.209 176.733 174.600 -0.128 0.000 1.027 177 S CA 0.217 58.356 58.200 -0.102 0.000 0.965 177 S CB -0.369 62.773 63.200 -0.097 0.000 0.812 177 S HN 0.195 nan 8.310 nan 0.000 0.482 178 I N 1.366 121.806 120.570 -0.217 0.000 2.252 178 I HA -0.142 4.028 4.170 -0.000 0.000 0.245 178 I C 3.043 179.111 176.117 -0.080 0.000 1.102 178 I CA 1.160 62.360 61.300 -0.167 0.000 1.385 178 I CB -0.431 37.429 38.000 -0.233 0.000 1.064 178 I HN 0.350 nan 8.210 nan 0.000 0.414 179 Q N 0.731 120.490 119.800 -0.068 0.000 2.050 179 Q HA -0.161 4.179 4.340 -0.000 0.000 0.202 179 Q C 2.469 178.456 176.000 -0.022 0.000 0.980 179 Q CA 1.836 57.620 55.803 -0.032 0.000 0.840 179 Q CB -0.442 28.284 28.738 -0.020 0.000 0.898 179 Q HN 0.542 nan 8.270 nan 0.000 0.424 180 A N 1.170 123.973 122.820 -0.028 0.000 1.940 180 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 180 A C 2.325 179.900 177.584 -0.014 0.000 1.176 180 A CA 2.020 54.046 52.037 -0.018 0.000 0.631 180 A CB -0.639 18.347 19.000 -0.023 0.000 0.814 180 A HN 0.383 nan 8.150 nan 0.000 0.446 181 A N -0.242 122.566 122.820 -0.020 0.000 1.873 181 A HA -0.014 4.306 4.320 -0.000 0.000 0.215 181 A C 2.156 179.749 177.584 0.015 0.000 1.186 181 A CA 1.432 53.463 52.037 -0.009 0.000 0.616 181 A CB -0.653 18.339 19.000 -0.015 0.000 0.823 181 A HN 0.466 nan 8.150 nan 0.000 0.442 182 L N -0.532 120.699 121.223 0.014 0.000 2.079 182 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 182 L C 2.594 179.487 176.870 0.038 0.000 1.081 182 L CA 1.852 56.711 54.840 0.030 0.000 0.752 182 L CB -0.421 41.645 42.059 0.012 0.000 0.896 182 L HN 0.423 nan 8.230 nan 0.000 0.433 183 K N 0.889 121.303 120.400 0.024 0.000 2.147 183 K HA -0.142 4.178 4.320 -0.000 0.000 0.205 183 K C 1.927 178.554 176.600 0.044 0.000 1.049 183 K CA 1.647 57.951 56.287 0.028 0.000 0.936 183 K CB -0.277 32.232 32.500 0.015 0.000 0.722 183 K HN 0.225 nan 8.250 nan 0.000 0.446 184 A N 0.406 123.252 122.820 0.044 0.000 1.929 184 A HA 0.037 4.357 4.320 -0.000 0.000 0.216 184 A C 2.048 179.707 177.584 0.127 0.000 1.176 184 A CA 1.184 53.256 52.037 0.058 0.000 0.628 184 A CB -0.458 18.551 19.000 0.015 0.000 0.816 184 A HN 0.314 nan 8.150 nan 0.000 0.444 185 L N -0.692 120.613 121.223 0.137 0.000 2.552 185 L HA -0.066 4.274 4.340 -0.000 0.000 0.227 185 L C 2.081 179.062 176.870 0.186 0.000 1.146 185 L CA 0.652 55.623 54.840 0.218 0.000 0.858 185 L CB -0.440 41.742 42.059 0.205 0.000 0.969 185 L HN 0.551 nan 8.230 nan 0.000 0.451 186 E N 1.122 121.393 120.200 0.118 0.000 2.164 186 E HA -0.396 3.954 4.350 -0.000 0.000 0.233 186 E C 2.149 178.795 176.600 0.076 0.000 1.073 186 E CA 2.465 58.912 56.400 0.079 0.000 0.941 186 E CB -0.019 29.719 29.700 0.063 0.000 0.820 186 E HN 0.340 nan 8.360 nan 0.000 0.486 187 K N -0.086 120.372 120.400 0.098 0.000 2.031 187 K HA -0.152 4.168 4.320 -0.000 0.000 0.205 187 K C 2.186 178.821 176.600 0.057 0.000 1.049 187 K CA 1.119 57.449 56.287 0.072 0.000 0.939 187 K CB -0.499 32.054 32.500 0.090 0.000 0.717 187 K HN 0.465 nan 8.250 nan 0.000 0.438 188 W N 2.622 123.842 121.300 -0.134 0.000 2.308 188 W HA -0.304 4.356 4.660 -0.000 0.000 0.301 188 W C 1.533 177.935 176.519 -0.195 0.000 1.220 188 W CA 2.284 59.444 57.345 -0.309 0.000 1.240 188 W CB -0.114 28.972 29.460 -0.623 0.000 1.142 188 W HN 0.264 nan 8.180 nan 0.000 0.521 189 E N 0.690 120.881 120.200 -0.016 0.000 2.058 189 E HA -0.233 4.117 4.350 -0.000 0.000 0.194 189 E C 2.075 178.579 176.600 -0.160 0.000 0.997 189 E CA 2.537 58.885 56.400 -0.086 0.000 0.801 189 E CB -0.920 28.785 29.700 0.008 0.000 0.746 189 E HN 0.389 nan 8.360 nan 0.000 0.450 190 I N 0.718 121.220 120.570 -0.113 0.000 2.193 190 I HA -0.213 3.957 4.170 -0.000 0.000 0.240 190 I C 1.790 177.813 176.117 -0.157 0.000 1.084 190 I CA 1.329 62.564 61.300 -0.108 0.000 1.365 190 I CB -0.379 37.585 38.000 -0.060 0.000 1.064 190 I HN 0.134 nan 8.210 nan 0.000 0.410 191 D N 0.759 121.044 120.400 -0.192 0.000 2.182 191 D HA -0.179 4.461 4.640 -0.000 0.000 0.201 191 D C 2.031 178.138 176.300 -0.322 0.000 0.986 191 D CA 1.208 55.073 54.000 -0.224 0.000 0.847 191 D CB -0.129 40.540 40.800 -0.218 0.000 0.942 191 D HN 0.183 nan 8.370 nan 0.000 0.467 192 L N 0.735 121.670 121.223 -0.480 0.000 2.156 192 L HA -0.032 4.308 4.340 -0.000 0.000 0.208 192 L C 2.210 178.919 176.870 -0.267 0.000 1.095 192 L CA 1.338 55.879 54.840 -0.498 0.000 0.770 192 L CB -0.090 41.538 42.059 -0.718 0.000 0.914 192 L HN -0.174 nan 8.230 nan 0.000 0.439 193 R N -1.796 118.579 120.500 -0.208 0.000 2.090 193 R HA -0.036 4.304 4.340 -0.000 0.000 0.228 193 R C 2.111 178.348 176.300 -0.104 0.000 1.110 193 R CA 1.168 57.189 56.100 -0.132 0.000 0.973 193 R CB -0.338 29.896 30.300 -0.110 0.000 0.869 193 R HN 0.210 nan 8.270 nan 0.000 0.440 194 V N 1.007 120.853 119.914 -0.113 0.000 2.407 194 V HA -0.242 3.878 4.120 -0.000 0.000 0.248 194 V C 2.315 178.364 176.094 -0.075 0.000 1.055 194 V CA 2.006 64.257 62.300 -0.083 0.000 1.049 194 V CB -0.563 31.211 31.823 -0.082 0.000 0.662 194 V HN 0.404 nan 8.190 nan 0.000 0.455 195 A N -0.849 121.911 122.820 -0.100 0.000 1.968 195 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 195 A C 2.102 179.659 177.584 -0.046 0.000 1.169 195 A CA 1.228 53.220 52.037 -0.075 0.000 0.638 195 A CB -0.316 18.624 19.000 -0.101 0.000 0.812 195 A HN 0.628 nan 8.150 nan 0.000 0.446 196 Q N -0.583 119.184 119.800 -0.054 0.000 2.451 196 Q HA -0.028 4.312 4.340 -0.000 0.000 0.206 196 Q C 1.362 177.353 176.000 -0.015 0.000 0.947 196 Q CA 1.327 57.113 55.803 -0.028 0.000 0.937 196 Q CB 0.023 28.739 28.738 -0.036 0.000 1.025 196 Q HN 0.830 nan 8.270 nan 0.000 0.511 197 T N -3.356 111.186 114.554 -0.020 0.000 3.004 197 T HA 0.100 4.450 4.350 -0.000 0.000 0.266 197 T C 1.437 176.138 174.700 0.002 0.000 0.986 197 T CA -0.321 61.774 62.100 -0.009 0.000 0.902 197 T CB 0.062 68.916 68.868 -0.022 0.000 1.118 197 T HN 0.016 nan 8.240 nan 0.000 0.522 198 L N 1.880 123.103 121.223 0.001 0.000 2.042 198 L HA 0.339 4.679 4.340 -0.000 0.000 0.210 198 L C 0.657 177.560 176.870 0.056 0.000 1.076 198 L CA 1.455 56.303 54.840 0.014 0.000 0.749 198 L CB -0.349 41.709 42.059 -0.001 0.000 0.893 198 L HN 0.654 nan 8.230 nan 0.000 0.432 199 L N -4.835 116.433 121.223 0.075 0.000 2.350 199 L HA 0.636 4.976 4.340 -0.000 0.000 0.260 199 L C -2.557 174.384 176.870 0.119 0.000 1.015 199 L CA -2.083 52.861 54.840 0.173 0.000 0.821 199 L CB 1.053 43.224 42.059 0.187 0.000 1.370 199 L HN -0.329 nan 8.230 nan 0.000 0.416 200 P HA 0.110 nan 4.420 nan 0.000 0.262 200 P C -0.129 177.217 177.300 0.076 0.000 1.199 200 P CA 0.254 63.422 63.100 0.113 0.000 0.763 200 P CB 0.795 32.586 31.700 0.151 0.000 0.790 201 T N 1.409 115.993 114.554 0.050 0.000 3.023 201 T HA 0.150 4.500 4.350 -0.000 0.000 0.253 201 T C 0.465 175.180 174.700 0.025 0.000 1.038 201 T CA 0.413 62.529 62.100 0.028 0.000 0.962 201 T CB -0.126 68.752 68.868 0.016 0.000 1.018 201 T HN 0.361 nan 8.240 nan 0.000 0.521 202 N N -0.131 118.591 118.700 0.037 0.000 2.902 202 N HA 0.625 5.365 4.740 -0.000 0.000 0.268 202 N C -1.830 173.712 175.510 0.052 0.000 1.450 202 N CA -0.391 52.679 53.050 0.034 0.000 0.819 202 N CB 2.692 41.194 38.487 0.025 0.000 1.540 202 N HN -0.071 nan 8.380 nan 0.000 0.545 203 V N 1.516 121.457 119.914 0.045 0.000 2.891 203 V HA 0.293 4.413 4.120 -0.000 0.000 0.304 203 V C -1.753 174.365 176.094 0.040 0.000 1.171 203 V CA -1.366 60.969 62.300 0.058 0.000 0.943 203 V CB 2.139 33.997 31.823 0.058 0.000 1.037 203 V HN 0.528 nan 8.190 nan 0.000 0.427 204 P HA 0.049 nan 4.420 nan 0.000 0.216 204 P C 0.043 177.355 177.300 0.019 0.000 1.150 204 P CA 1.345 64.458 63.100 0.022 0.000 0.843 204 P CB 0.326 32.037 31.700 0.019 0.000 0.787 205 I N -4.182 116.403 120.570 0.025 0.000 2.908 205 I HA 0.485 4.655 4.170 -0.000 0.000 0.300 205 I C 0.147 176.277 176.117 0.022 0.000 1.385 205 I CA -0.219 61.093 61.300 0.020 0.000 1.004 205 I CB 1.555 39.565 38.000 0.017 0.000 1.309 205 I HN 0.284 nan 8.210 nan 0.000 0.449 206 G N 4.636 113.445 108.800 0.016 0.000 2.539 206 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.256 206 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.256 206 G C -0.580 174.328 174.900 0.013 0.000 1.233 206 G CA 0.557 45.666 45.100 0.015 0.000 0.936 206 G HN 0.996 nan 8.290 nan 0.000 0.571 207 E N -1.516 118.691 120.200 0.012 0.000 2.390 207 E HA 0.605 4.955 4.350 -0.000 0.000 0.277 207 E C -0.630 175.973 176.600 0.006 0.000 0.939 207 E CA -0.434 55.970 56.400 0.006 0.000 0.769 207 E CB 2.283 31.982 29.700 -0.002 0.000 1.251 207 E HN 1.658 nan 8.360 nan 0.000 0.450 208 V N -0.435 119.480 119.914 0.001 0.000 3.114 208 V HA 0.908 5.028 4.120 -0.000 0.000 0.308 208 V C -0.799 175.283 176.094 -0.020 0.000 1.168 208 V CA -0.302 61.996 62.300 -0.004 0.000 1.015 208 V CB 1.430 33.259 31.823 0.009 0.000 1.050 208 V HN 0.795 nan 8.190 nan 0.000 0.433 209 S N 0.611 116.293 115.700 -0.030 0.000 2.618 209 S HA 0.906 5.376 4.470 -0.000 0.000 0.277 209 S C -0.903 173.664 174.600 -0.055 0.000 1.138 209 S CA -0.343 57.830 58.200 -0.044 0.000 0.844 209 S CB 1.597 64.771 63.200 -0.044 0.000 1.127 209 S HN 2.420 nan 8.310 nan 0.000 0.474 210 C N 1.386 120.648 119.300 -0.064 0.000 3.247 210 C HA 0.629 5.089 4.460 -0.000 0.000 0.375 210 C C -3.062 171.888 174.990 -0.067 0.000 1.102 210 C CA -0.953 58.023 59.018 -0.071 0.000 1.227 210 C CB 0.557 28.248 27.740 -0.082 0.000 1.586 210 C HN 0.909 nan 8.230 nan 0.000 0.544 211 P HA 0.087 nan 4.420 nan 0.000 0.256 211 P C 0.820 178.096 177.300 -0.041 0.000 1.189 211 P CA 0.430 63.505 63.100 -0.042 0.000 0.808 211 P CB 0.318 32.003 31.700 -0.025 0.000 0.793 212 M N 3.861 123.426 119.600 -0.059 0.000 2.252 212 M HA -0.285 4.195 4.480 -0.000 0.000 0.257 212 M C 1.500 177.809 176.300 0.015 0.000 1.077 212 M CA 1.952 57.213 55.300 -0.065 0.000 1.066 212 M CB -0.548 31.971 32.600 -0.135 0.000 1.380 212 M HN 0.343 nan 8.290 nan 0.000 0.412 213 Q N -1.565 118.252 119.800 0.029 0.000 2.172 213 Q HA -0.082 4.258 4.340 -0.000 0.000 0.200 213 Q C 2.079 178.107 176.000 0.048 0.000 0.964 213 Q CA 1.640 57.478 55.803 0.058 0.000 0.855 213 Q CB -0.140 28.630 28.738 0.054 0.000 0.918 213 Q HN 0.548 nan 8.270 nan 0.000 0.444 214 S N 0.439 116.155 115.700 0.027 0.000 2.368 214 S HA -0.100 4.370 4.470 -0.000 0.000 0.224 214 S C 2.167 176.738 174.600 -0.048 0.000 1.029 214 S CA 0.944 59.164 58.200 0.034 0.000 0.988 214 S CB -0.150 63.062 63.200 0.020 0.000 0.838 214 S HN 0.133 nan 8.310 nan 0.000 0.462 215 V N 1.581 121.462 119.914 -0.055 0.000 2.287 215 V HA -0.143 3.977 4.120 -0.000 0.000 0.248 215 V C 2.295 178.350 176.094 -0.064 0.000 1.053 215 V CA 1.498 63.750 62.300 -0.080 0.000 1.027 215 V CB -0.714 31.083 31.823 -0.044 0.000 0.646 215 V HN 0.343 nan 8.190 nan 0.000 0.447 216 V N -0.479 119.443 119.914 0.013 0.000 2.515 216 V HA -0.184 3.936 4.120 -0.000 0.000 0.250 216 V C 2.555 178.640 176.094 -0.015 0.000 1.058 216 V CA 1.508 63.832 62.300 0.040 0.000 1.064 216 V CB -0.681 31.212 31.823 0.116 0.000 0.675 216 V HN 0.486 nan 8.190 nan 0.000 0.461 217 K N -0.125 120.265 120.400 -0.018 0.000 2.009 217 K HA -0.177 4.143 4.320 -0.000 0.000 0.210 217 K C 2.152 178.639 176.600 -0.188 0.000 1.049 217 K CA 1.404 57.700 56.287 0.016 0.000 0.929 217 K CB -0.770 31.834 32.500 0.173 0.000 0.714 217 K HN 0.337 nan 8.250 nan 0.000 0.440 218 L N 1.806 122.691 121.223 -0.563 0.000 1.989 218 L HA -0.171 4.169 4.340 -0.000 0.000 0.211 218 L C 2.250 178.897 176.870 -0.372 0.000 1.071 218 L CA 1.505 55.793 54.840 -0.920 0.000 0.749 218 L CB -0.744 40.818 42.059 -0.828 0.000 0.890 218 L HN 0.105 nan 8.230 nan 0.000 0.431 219 L N -0.430 120.670 121.223 -0.206 0.000 2.013 219 L HA -0.284 4.056 4.340 -0.000 0.000 0.212 219 L C 2.402 179.235 176.870 -0.063 0.000 1.073 219 L CA 1.867 56.648 54.840 -0.098 0.000 0.753 219 L CB -0.883 41.148 42.059 -0.048 0.000 0.890 219 L HN 0.405 nan 8.230 nan 0.000 0.432 220 D N -0.218 120.156 120.400 -0.044 0.000 2.182 220 D HA -0.256 4.384 4.640 -0.000 0.000 0.201 220 D C 1.753 178.061 176.300 0.014 0.000 0.986 220 D CA 1.390 55.388 54.000 -0.004 0.000 0.847 220 D CB 0.018 40.828 40.800 0.017 0.000 0.942 220 D HN 0.293 nan 8.370 nan 0.000 0.467 221 D N -1.598 118.810 120.400 0.013 0.000 2.289 221 D HA -0.041 4.599 4.640 -0.000 0.000 0.207 221 D C 1.575 177.903 176.300 0.046 0.000 0.966 221 D CA 0.786 54.832 54.000 0.077 0.000 0.868 221 D CB 0.234 41.174 40.800 0.232 0.000 0.943 221 D HN 0.091 nan 8.370 nan 0.000 0.514 222 Q N -0.553 119.245 119.800 -0.005 0.000 2.369 222 Q HA 0.210 4.550 4.340 -0.000 0.000 0.254 222 Q C 0.514 176.511 176.000 -0.005 0.000 0.858 222 Q CA -0.129 55.675 55.803 0.001 0.000 0.961 222 Q CB 0.733 29.464 28.738 -0.012 0.000 1.119 222 Q HN 0.309 nan 8.270 nan 0.000 0.538 223 L N 3.374 124.587 121.223 -0.016 0.000 2.506 223 L HA 0.032 4.372 4.340 -0.000 0.000 0.281 223 L C -1.928 174.938 176.870 -0.006 0.000 1.228 223 L CA -1.223 53.607 54.840 -0.018 0.000 0.850 223 L CB -0.276 41.768 42.059 -0.025 0.000 1.110 223 L HN -0.122 nan 8.230 nan 0.000 0.496 224 P HA -0.013 nan 4.420 nan 0.000 0.266 224 P C -0.006 177.297 177.300 0.006 0.000 1.195 224 P CA -0.178 62.922 63.100 -0.001 0.000 0.768 224 P CB 0.504 32.201 31.700 -0.005 0.000 0.838 225 D N 1.610 122.017 120.400 0.011 0.000 2.116 225 D HA -0.188 4.452 4.640 -0.000 0.000 0.193 225 D C 1.092 177.405 176.300 0.021 0.000 0.998 225 D CA 1.523 55.532 54.000 0.015 0.000 0.836 225 D CB -0.410 40.399 40.800 0.015 0.000 0.951 225 D HN 0.581 nan 8.370 nan 0.000 0.449 226 D N 0.262 120.676 120.400 0.024 0.000 2.352 226 D HA -0.063 4.577 4.640 -0.000 0.000 0.232 226 D C 0.339 176.666 176.300 0.045 0.000 1.055 226 D CA 0.043 54.065 54.000 0.036 0.000 0.891 226 D CB -0.193 40.627 40.800 0.035 0.000 0.897 226 D HN -0.136 nan 8.370 nan 0.000 0.529 227 S N 0.379 116.096 115.700 0.029 0.000 2.537 227 S HA 0.068 4.538 4.470 -0.000 0.000 0.286 227 S C 1.434 176.078 174.600 0.074 0.000 1.299 227 S CA -0.612 57.600 58.200 0.021 0.000 1.067 227 S CB 0.503 63.696 63.200 -0.012 0.000 0.864 227 S HN 0.236 nan 8.310 nan 0.000 0.494 228 L N 5.465 126.753 121.223 0.109 0.000 2.275 228 L HA -0.059 4.281 4.340 -0.000 0.000 0.215 228 L C 1.980 179.044 176.870 0.325 0.000 1.119 228 L CA 0.755 55.765 54.840 0.284 0.000 0.790 228 L CB -0.337 41.935 42.059 0.356 0.000 0.919 228 L HN 0.756 nan 8.230 nan 0.000 0.443 229 I N -0.455 120.176 120.570 0.101 0.000 2.361 229 I HA -0.285 3.885 4.170 -0.000 0.000 0.251 229 I C 2.497 178.674 176.117 0.100 0.000 1.133 229 I CA 1.202 62.544 61.300 0.070 0.000 1.413 229 I CB -0.299 37.655 38.000 -0.077 0.000 1.073 229 I HN 0.243 nan 8.210 nan 0.000 0.424 230 R N 0.234 120.775 120.500 0.068 0.000 2.189 230 R HA -0.078 4.262 4.340 -0.000 0.000 0.223 230 R C 2.216 178.524 176.300 0.012 0.000 1.092 230 R CA 0.823 56.943 56.100 0.033 0.000 0.989 230 R CB -0.145 30.167 30.300 0.021 0.000 0.876 230 R HN 0.320 nan 8.270 nan 0.000 0.457 231 R N -0.896 119.626 120.500 0.036 0.000 2.223 231 R HA 0.050 4.390 4.340 -0.000 0.000 0.198 231 R C -0.096 175.936 176.300 -0.447 0.000 0.984 231 R CA 0.638 56.626 56.100 -0.187 0.000 1.018 231 R CB 0.625 30.813 30.300 -0.186 0.000 0.945 231 R HN 0.149 nan 8.270 nan 0.000 0.479 232 Y N -1.614 118.787 120.300 0.168 0.000 2.558 232 Y HA 0.295 4.845 4.550 -0.000 0.000 0.316 232 Y C -2.142 173.852 175.900 0.157 0.000 0.967 232 Y CA -2.188 56.020 58.100 0.180 0.000 1.126 232 Y CB 1.152 39.781 38.460 0.283 0.000 1.155 232 Y HN -0.039 nan 8.280 nan 0.000 0.628 233 P HA -0.246 nan 4.420 nan 0.000 0.215 233 P C 1.219 178.496 177.300 -0.039 0.000 1.163 233 P CA 2.156 65.274 63.100 0.030 0.000 0.894 233 P CB 0.382 32.062 31.700 -0.034 0.000 0.791 234 K N -0.674 119.702 120.400 -0.039 0.000 2.097 234 K HA -0.161 4.159 4.320 -0.000 0.000 0.206 234 K C 2.022 178.609 176.600 -0.021 0.000 1.049 234 K CA 1.401 57.620 56.287 -0.113 0.000 0.933 234 K CB -0.372 32.088 32.500 -0.067 0.000 0.717 234 K HN 0.150 nan 8.250 nan 0.000 0.442 235 E N 0.851 121.139 120.200 0.146 0.000 2.106 235 E HA -0.108 4.242 4.350 -0.000 0.000 0.192 235 E C 1.901 178.723 176.600 0.369 0.000 0.984 235 E CA 1.159 57.693 56.400 0.224 0.000 0.806 235 E CB -0.193 29.645 29.700 0.231 0.000 0.750 235 E HN 0.328 nan 8.360 nan 0.000 0.458 236 A N 1.020 124.093 122.820 0.420 0.000 1.933 236 A HA -0.091 4.229 4.320 -0.000 0.000 0.218 236 A C 2.346 179.995 177.584 0.108 0.000 1.175 236 A CA 1.757 53.947 52.037 0.255 0.000 0.628 236 A CB -0.823 18.214 19.000 0.062 0.000 0.814 236 A HN 0.286 nan 8.150 nan 0.000 0.444 237 A N -0.313 122.462 122.820 -0.075 0.000 1.865 237 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 237 A C 2.245 179.885 177.584 0.093 0.000 1.191 237 A CA 2.034 53.896 52.037 -0.292 0.000 0.623 237 A CB -1.148 17.095 19.000 -1.262 0.000 0.826 237 A HN 0.455 nan 8.150 nan 0.000 0.444 238 V N 0.037 119.982 119.914 0.052 0.000 2.255 238 V HA -0.284 3.836 4.120 -0.000 0.000 0.247 238 V C 3.073 179.298 176.094 0.218 0.000 1.051 238 V CA 2.108 64.503 62.300 0.158 0.000 1.018 238 V CB -1.578 30.313 31.823 0.112 0.000 0.641 238 V HN 0.648 nan 8.190 nan 0.000 0.445 239 A N 0.030 123.004 122.820 0.257 0.000 1.903 239 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 239 A C 2.248 179.980 177.584 0.248 0.000 1.191 239 A CA 2.391 54.609 52.037 0.300 0.000 0.638 239 A CB -0.671 18.576 19.000 0.412 0.000 0.823 239 A HN 0.518 nan 8.150 nan 0.000 0.451 240 L N -1.155 120.203 121.223 0.224 0.000 2.005 240 L HA -0.171 4.169 4.340 -0.000 0.000 0.207 240 L C 3.135 180.135 176.870 0.218 0.000 1.072 240 L CA 1.147 56.109 54.840 0.203 0.000 0.744 240 L CB -0.776 41.422 42.059 0.232 0.000 0.895 240 L HN 0.439 nan 8.230 nan 0.000 0.433 241 A N -0.362 122.632 122.820 0.290 0.000 1.986 241 A HA -0.209 4.111 4.320 -0.000 0.000 0.220 241 A C 2.247 179.921 177.584 0.151 0.000 1.171 241 A CA 1.530 53.695 52.037 0.213 0.000 0.640 241 A CB -0.354 18.837 19.000 0.320 0.000 0.811 241 A HN 0.205 nan 8.150 nan 0.000 0.451 242 K N -0.344 120.153 120.400 0.161 0.000 2.283 242 K HA -0.105 4.215 4.320 -0.000 0.000 0.202 242 K C 1.790 178.484 176.600 0.157 0.000 1.048 242 K CA 1.531 57.870 56.287 0.087 0.000 0.948 242 K CB -0.116 32.407 32.500 0.038 0.000 0.742 242 K HN 0.863 nan 8.250 nan 0.000 0.458 243 R N -1.361 119.290 120.500 0.252 0.000 2.487 243 R HA 0.175 4.515 4.340 -0.000 0.000 0.272 243 R C 0.284 176.679 176.300 0.160 0.000 0.928 243 R CA -0.215 56.069 56.100 0.307 0.000 1.077 243 R CB 0.241 30.750 30.300 0.348 0.000 1.265 243 R HN -0.163 nan 8.270 nan 0.000 0.537 244 N N 0.954 119.722 118.700 0.114 0.000 2.573 244 N HA 0.143 4.883 4.740 -0.000 0.000 0.262 244 N C 0.297 175.827 175.510 0.034 0.000 1.029 244 N CA -0.095 52.992 53.050 0.062 0.000 0.882 244 N CB 1.852 40.365 38.487 0.044 0.000 1.204 244 N HN 0.280 nan 8.380 nan 0.000 0.519 245 G N 1.624 110.441 108.800 0.028 0.000 2.479 245 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.220 245 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.220 245 G C 1.168 176.054 174.900 -0.023 0.000 1.115 245 G CA 0.974 46.078 45.100 0.007 0.000 0.757 245 G HN 0.568 nan 8.290 nan 0.000 0.560 246 G N -0.179 108.604 108.800 -0.029 0.000 2.712 246 G HA2 0.234 4.194 3.960 -0.000 0.000 0.212 246 G HA3 0.234 4.194 3.960 -0.000 0.000 0.212 246 G C 0.510 175.343 174.900 -0.112 0.000 1.142 246 G CA -0.255 44.811 45.100 -0.057 0.000 0.789 246 G HN 0.407 nan 8.290 nan 0.000 0.535 247 I N 1.178 121.674 120.570 -0.124 0.000 2.330 247 I HA 0.291 4.461 4.170 -0.000 0.000 0.286 247 I C -0.700 175.209 176.117 -0.346 0.000 1.025 247 I CA -0.290 60.855 61.300 -0.257 0.000 1.197 247 I CB 1.400 39.311 38.000 -0.149 0.000 1.358 247 I HN 0.035 nan 8.210 nan 0.000 0.467 248 Q N 5.612 125.113 119.800 -0.498 0.000 2.337 248 Q HA 0.385 4.725 4.340 -0.000 0.000 0.270 248 Q C -1.746 173.920 176.000 -0.556 0.000 1.043 248 Q CA -0.721 54.847 55.803 -0.391 0.000 0.794 248 Q CB 2.473 31.104 28.738 -0.179 0.000 1.281 248 Q HN 0.463 nan 8.270 nan 0.000 0.446 249 W N 3.381 124.693 121.300 0.020 0.000 2.349 249 W HA 0.431 5.091 4.660 -0.000 0.000 0.309 249 W C 0.140 176.670 176.519 0.018 0.000 1.083 249 W CA -0.694 56.664 57.345 0.021 0.000 1.224 249 W CB 0.929 30.406 29.460 0.029 0.000 1.256 249 W HN 0.422 nan 8.180 nan 0.000 0.461 250 M N 3.840 123.561 119.600 0.202 0.000 2.248 250 M HA -0.012 4.468 4.480 -0.000 0.000 0.345 250 M C 0.234 176.615 176.300 0.135 0.000 1.243 250 M CA 0.365 55.741 55.300 0.126 0.000 1.090 250 M CB 0.473 33.125 32.600 0.087 0.000 1.683 250 M HN 0.344 nan 8.290 nan 0.000 0.450 251 D N 4.257 124.714 120.400 0.095 0.000 2.338 251 D HA 0.114 4.754 4.640 -0.000 0.000 0.255 251 D C 0.918 177.254 176.300 0.060 0.000 1.237 251 D CA -0.285 53.761 54.000 0.076 0.000 0.883 251 D CB 0.947 41.781 40.800 0.058 0.000 1.087 251 D HN 0.507 nan 8.370 nan 0.000 0.485 252 V N 3.558 123.507 119.914 0.058 0.000 2.392 252 V HA -0.256 3.864 4.120 -0.000 0.000 0.249 252 V C 2.385 178.499 176.094 0.034 0.000 1.059 252 V CA 1.770 64.097 62.300 0.045 0.000 1.051 252 V CB -0.697 31.150 31.823 0.039 0.000 0.658 252 V HN 0.500 nan 8.190 nan 0.000 0.455 253 S N 0.356 116.075 115.700 0.031 0.000 2.363 253 S HA -0.209 4.261 4.470 -0.000 0.000 0.218 253 S C 1.617 176.230 174.600 0.023 0.000 1.035 253 S CA 1.832 60.047 58.200 0.024 0.000 1.043 253 S CB -0.309 62.904 63.200 0.022 0.000 0.986 253 S HN 0.676 nan 8.310 nan 0.000 0.423 254 E N 0.266 120.481 120.200 0.025 0.000 2.394 254 E HA 0.365 4.715 4.350 -0.000 0.000 0.191 254 E C 0.967 177.581 176.600 0.023 0.000 1.044 254 E CA 0.253 56.665 56.400 0.021 0.000 0.939 254 E CB -0.194 29.518 29.700 0.019 0.000 1.089 254 E HN 0.499 nan 8.360 nan 0.000 0.456 255 G N 1.554 110.370 108.800 0.027 0.000 2.280 255 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.282 255 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.282 255 G C 0.607 175.522 174.900 0.025 0.000 1.000 255 G CA 1.144 46.260 45.100 0.027 0.000 0.751 255 G HN 0.427 nan 8.290 nan 0.000 0.515 256 T N -2.455 112.116 114.554 0.028 0.000 2.909 256 T HA 0.665 5.015 4.350 -0.000 0.000 0.289 256 T C -0.240 174.479 174.700 0.031 0.000 1.005 256 T CA -0.371 61.744 62.100 0.025 0.000 1.084 256 T CB 2.861 71.743 68.868 0.024 0.000 0.975 256 T HN 0.838 nan 8.240 nan 0.000 0.509 257 V N 4.066 123.992 119.914 0.021 0.000 2.668 257 V HA 0.712 4.832 4.120 -0.000 0.000 0.304 257 V C -0.281 175.816 176.094 0.004 0.000 1.071 257 V CA -0.924 61.385 62.300 0.016 0.000 0.894 257 V CB 1.298 33.120 31.823 -0.001 0.000 1.008 257 V HN 1.222 nan 8.190 nan 0.000 0.425 258 M N 1.623 121.226 119.600 0.006 0.000 2.833 258 M HA 0.596 5.076 4.480 -0.000 0.000 0.270 258 M C -0.996 175.304 176.300 -0.001 0.000 1.209 258 M CA -0.692 54.608 55.300 -0.001 0.000 0.826 258 M CB 1.904 34.508 32.600 0.007 0.000 1.657 258 M HN 0.419 nan 8.290 nan 0.000 0.492 259 N N 1.551 120.248 118.700 -0.005 0.000 2.414 259 N HA 0.005 4.745 4.740 -0.000 0.000 0.268 259 N C -0.391 175.128 175.510 0.014 0.000 1.286 259 N CA 0.648 53.697 53.050 -0.001 0.000 0.896 259 N CB 0.651 39.137 38.487 -0.001 0.000 1.093 259 N HN 0.688 nan 8.380 nan 0.000 0.480 260 E N 1.604 121.820 120.200 0.026 0.000 2.498 260 E HA 0.126 4.476 4.350 -0.000 0.000 0.203 260 E C 0.130 176.746 176.600 0.026 0.000 1.013 260 E CA -0.201 56.221 56.400 0.037 0.000 0.927 260 E CB 0.326 30.071 29.700 0.075 0.000 1.012 260 E HN 0.632 nan 8.360 nan 0.000 0.482 261 A N 1.377 124.215 122.820 0.031 0.000 2.483 261 A HA 0.152 4.472 4.320 -0.000 0.000 0.238 261 A C 1.210 178.800 177.584 0.011 0.000 1.070 261 A CA 0.242 52.301 52.037 0.038 0.000 0.770 261 A CB 0.382 19.414 19.000 0.054 0.000 1.008 261 A HN 0.092 nan 8.150 nan 0.000 0.497 262 V N -0.847 119.066 119.914 -0.003 0.000 3.319 262 V HA 0.223 4.343 4.120 -0.000 0.000 0.317 262 V C 0.255 176.377 176.094 0.047 0.000 1.411 262 V CA 0.581 62.862 62.300 -0.031 0.000 1.112 262 V CB -0.967 30.751 31.823 -0.174 0.000 1.031 262 V HN 0.885 nan 8.190 nan 0.000 0.448 263 N N 0.286 119.040 118.700 0.091 0.000 2.416 263 N HA 0.471 5.211 4.740 -0.000 0.000 0.267 263 N C 1.066 176.616 175.510 0.067 0.000 1.294 263 N CA 0.304 53.419 53.050 0.109 0.000 0.891 263 N CB 0.741 39.327 38.487 0.164 0.000 1.238 263 N HN 0.290 nan 8.380 nan 0.000 0.508 264 A N 0.280 123.127 122.820 0.046 0.000 1.908 264 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 264 A C 1.964 179.565 177.584 0.029 0.000 1.181 264 A CA 1.863 53.919 52.037 0.032 0.000 0.627 264 A CB -0.818 18.195 19.000 0.023 0.000 0.818 264 A HN 0.159 nan 8.150 nan 0.000 0.445 265 V N -0.036 119.896 119.914 0.030 0.000 2.255 265 V HA -0.292 3.828 4.120 -0.000 0.000 0.247 265 V C 3.049 179.158 176.094 0.024 0.000 1.051 265 V CA 2.120 64.435 62.300 0.024 0.000 1.018 265 V CB -1.536 30.301 31.823 0.024 0.000 0.641 265 V HN 0.635 nan 8.190 nan 0.000 0.445 266 A N 0.292 123.131 122.820 0.032 0.000 1.865 266 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 266 A C 2.438 180.035 177.584 0.021 0.000 1.191 266 A CA 2.424 54.478 52.037 0.027 0.000 0.623 266 A CB -1.047 17.975 19.000 0.037 0.000 0.826 266 A HN 0.642 nan 8.150 nan 0.000 0.444 267 A N 0.272 123.107 122.820 0.026 0.000 2.024 267 A HA -0.098 4.222 4.320 -0.000 0.000 0.220 267 A C 2.417 180.010 177.584 0.015 0.000 1.164 267 A CA 2.283 54.332 52.037 0.020 0.000 0.643 267 A CB -0.993 18.022 19.000 0.025 0.000 0.806 267 A HN 1.115 nan 8.150 nan 0.000 0.451 268 S N -0.194 115.515 115.700 0.015 0.000 2.419 268 S HA 0.080 4.550 4.470 -0.000 0.000 0.233 268 S C 1.840 176.445 174.600 0.009 0.000 1.016 268 S CA 1.179 59.386 58.200 0.011 0.000 0.974 268 S CB -0.442 62.765 63.200 0.012 0.000 0.786 268 S HN 0.885 nan 8.310 nan 0.000 0.492 269 A N 1.052 123.877 122.820 0.008 0.000 2.132 269 A HA 0.461 4.781 4.320 -0.000 0.000 0.213 269 A C 1.967 179.553 177.584 0.003 0.000 1.154 269 A CA 0.355 52.395 52.037 0.005 0.000 0.753 269 A CB -0.402 18.601 19.000 0.005 0.000 0.826 269 A HN 0.560 nan 8.150 nan 0.000 0.469 270 L N -0.850 120.375 121.223 0.004 0.000 2.607 270 L HA 0.325 4.665 4.340 -0.000 0.000 0.228 270 L C 0.952 177.823 176.870 0.002 0.000 1.123 270 L CA 0.039 54.880 54.840 0.001 0.000 0.890 270 L CB -0.131 41.928 42.059 0.001 0.000 1.103 270 L HN 0.328 nan 8.230 nan 0.000 0.468 271 A N 0.388 123.211 122.820 0.004 0.000 2.320 271 A HA 0.757 5.077 4.320 -0.000 0.000 0.334 271 A C -2.533 175.054 177.584 0.004 0.000 1.147 271 A CA -1.455 50.585 52.037 0.005 0.000 0.820 271 A CB 0.663 19.667 19.000 0.007 0.000 1.218 271 A HN -0.138 nan 8.150 nan 0.000 0.482 272 P HA 0.350 nan 4.420 nan 0.000 0.281 272 P C -0.129 177.173 177.300 0.004 0.000 1.249 272 P CA -0.282 62.820 63.100 0.003 0.000 0.810 272 P CB 1.361 33.063 31.700 0.003 0.000 1.008 273 S N 0.531 116.233 115.700 0.003 0.000 2.738 273 S HA 0.560 5.030 4.470 -0.000 0.000 0.284 273 S C 1.420 176.022 174.600 0.004 0.000 1.146 273 S CA -0.075 58.127 58.200 0.004 0.000 0.997 273 S CB 0.620 63.822 63.200 0.003 0.000 1.081 273 S HN 0.395 nan 8.310 nan 0.000 0.553 274 A N 0.771 123.593 122.820 0.004 0.000 2.093 274 A HA -0.009 4.311 4.320 -0.000 0.000 0.222 274 A C 1.728 179.313 177.584 0.003 0.000 1.162 274 A CA 1.894 53.934 52.037 0.004 0.000 0.655 274 A CB -1.071 17.931 19.000 0.004 0.000 0.805 274 A HN 1.606 nan 8.150 nan 0.000 0.461 275 S N -3.670 112.031 115.700 0.003 0.000 3.067 275 S HA 0.661 5.131 4.470 -0.000 0.000 0.253 275 S C -0.048 174.552 174.600 0.001 0.000 0.942 275 S CA 0.256 58.456 58.200 0.002 0.000 1.197 275 S CB -0.289 62.913 63.200 0.002 0.000 1.143 275 S HN 1.348 nan 8.310 nan 0.000 0.638 276 A N 1.568 124.388 122.820 0.001 0.000 2.486 276 A HA 0.915 5.235 4.320 -0.000 0.000 0.300 276 A C -3.358 174.226 177.584 -0.001 0.000 1.048 276 A CA -1.839 50.198 52.037 -0.000 0.000 0.696 276 A CB 1.116 20.116 19.000 0.001 0.000 1.278 276 A HN 0.178 nan 8.150 nan 0.000 0.405 277 P HA 0.387 nan 4.420 nan 0.000 0.274 277 P C -2.595 174.704 177.300 -0.002 0.000 1.256 277 P CA -1.178 61.920 63.100 -0.003 0.000 0.795 277 P CB -0.202 31.494 31.700 -0.006 0.000 1.038 278 P HA 0.022 nan 4.420 nan 0.000 0.265 278 P C 0.763 178.062 177.300 -0.002 0.000 1.187 278 P CA 0.477 63.576 63.100 -0.001 0.000 0.766 278 P CB 0.226 31.924 31.700 -0.003 0.000 0.820 279 L N 1.791 123.014 121.223 -0.000 0.000 2.093 279 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 279 L C 2.315 179.185 176.870 -0.001 0.000 1.085 279 L CA 1.469 56.309 54.840 0.000 0.000 0.755 279 L CB -0.519 41.541 42.059 0.002 0.000 0.904 279 L HN 0.518 nan 8.230 nan 0.000 0.435 280 E N 0.448 120.647 120.200 -0.002 0.000 2.110 280 E HA -0.280 4.070 4.350 -0.000 0.000 0.193 280 E C 1.931 178.527 176.600 -0.006 0.000 0.988 280 E CA 1.458 57.856 56.400 -0.004 0.000 0.804 280 E CB 0.151 29.848 29.700 -0.004 0.000 0.745 280 E HN 0.549 nan 8.360 nan 0.000 0.458 281 E N 0.500 120.696 120.200 -0.006 0.000 2.028 281 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 281 E C 2.110 178.706 176.600 -0.007 0.000 0.988 281 E CA 1.089 57.484 56.400 -0.009 0.000 0.799 281 E CB 0.085 29.780 29.700 -0.010 0.000 0.755 281 E HN 0.107 nan 8.360 nan 0.000 0.447 282 K N 0.265 120.662 120.400 -0.005 0.000 2.103 282 K HA -0.151 4.168 4.320 -0.000 0.000 0.207 282 K C 2.427 179.025 176.600 -0.003 0.000 1.048 282 K CA 1.322 57.606 56.287 -0.004 0.000 0.930 282 K CB -0.259 32.240 32.500 -0.003 0.000 0.716 282 K HN 0.026 nan 8.250 nan 0.000 0.444 283 S N 1.183 116.881 115.700 -0.003 0.000 2.345 283 S HA -0.187 4.283 4.470 -0.000 0.000 0.220 283 S C 1.995 176.594 174.600 -0.003 0.000 1.031 283 S CA 1.652 59.851 58.200 -0.002 0.000 0.996 283 S CB -0.088 63.111 63.200 -0.001 0.000 0.882 283 S HN 0.157 nan 8.310 nan 0.000 0.445 284 K N 1.035 121.432 120.400 -0.005 0.000 1.991 284 K HA -0.005 4.315 4.320 -0.000 0.000 0.212 284 K C 2.115 178.710 176.600 -0.007 0.000 1.049 284 K CA 1.832 58.115 56.287 -0.007 0.000 0.932 284 K CB -0.739 31.756 32.500 -0.010 0.000 0.717 284 K HN 0.439 nan 8.250 nan 0.000 0.441 285 L N 0.130 121.348 121.223 -0.008 0.000 2.013 285 L HA -0.243 4.097 4.340 -0.000 0.000 0.212 285 L C 2.345 179.212 176.870 -0.005 0.000 1.073 285 L CA 1.987 56.822 54.840 -0.008 0.000 0.753 285 L CB -0.875 41.178 42.059 -0.009 0.000 0.890 285 L HN 0.342 nan 8.230 nan 0.000 0.432 286 T N -1.229 113.323 114.554 -0.003 0.000 2.833 286 T HA -0.227 4.123 4.350 -0.000 0.000 0.269 286 T C 1.782 176.482 174.700 -0.000 0.000 1.054 286 T CA 1.372 63.472 62.100 -0.001 0.000 1.135 286 T CB -0.120 68.748 68.868 0.000 0.000 0.869 286 T HN 0.382 nan 8.240 nan 0.000 0.466 287 E N 0.969 121.169 120.200 -0.001 0.000 2.072 287 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 287 E C 2.197 178.796 176.600 -0.002 0.000 0.985 287 E CA 0.903 57.302 56.400 -0.001 0.000 0.801 287 E CB -0.004 29.695 29.700 -0.002 0.000 0.750 287 E HN 0.568 nan 8.360 nan 0.000 0.452 288 Q N -0.379 119.419 119.800 -0.004 0.000 2.291 288 Q HA -0.086 4.254 4.340 -0.000 0.000 0.205 288 Q C 1.999 177.998 176.000 -0.002 0.000 0.970 288 Q CA 0.959 56.759 55.803 -0.005 0.000 0.876 288 Q CB 0.052 28.785 28.738 -0.008 0.000 0.935 288 Q HN 0.272 nan 8.270 nan 0.000 0.455 289 A N 0.753 123.573 122.820 0.001 0.000 1.930 289 A HA -0.075 4.245 4.320 -0.000 0.000 0.215 289 A C 2.035 179.624 177.584 0.008 0.000 1.176 289 A CA 0.808 52.848 52.037 0.006 0.000 0.632 289 A CB -0.268 18.737 19.000 0.007 0.000 0.819 289 A HN 0.227 nan 8.150 nan 0.000 0.445 290 M N -0.350 119.252 119.600 0.004 0.000 2.175 290 M HA -0.117 4.363 4.480 -0.000 0.000 0.264 290 M C 1.192 177.495 176.300 0.004 0.000 1.063 290 M CA 1.300 56.603 55.300 0.004 0.000 1.119 290 M CB -0.592 32.009 32.600 0.002 0.000 1.377 290 M HN 0.290 nan 8.290 nan 0.000 0.415 291 D N 0.809 121.210 120.400 0.002 0.000 2.178 291 D HA -0.072 4.568 4.640 -0.000 0.000 0.202 291 D C 2.097 178.399 176.300 0.002 0.000 0.974 291 D CA 1.089 55.090 54.000 0.000 0.000 0.841 291 D CB -0.182 40.617 40.800 -0.003 0.000 0.953 291 D HN 0.339 nan 8.370 nan 0.000 0.478 292 L N 0.323 121.549 121.223 0.005 0.000 2.027 292 L HA -0.140 4.200 4.340 -0.000 0.000 0.206 292 L C 2.505 179.387 176.870 0.020 0.000 1.074 292 L CA 0.624 55.470 54.840 0.010 0.000 0.745 292 L CB -0.205 41.862 42.059 0.013 0.000 0.898 292 L HN -0.066 nan 8.230 nan 0.000 0.433 293 V N -0.786 119.141 119.914 0.020 0.000 2.407 293 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 293 V C 2.497 178.600 176.094 0.016 0.000 1.055 293 V CA 2.260 64.574 62.300 0.023 0.000 1.049 293 V CB -0.760 31.071 31.823 0.013 0.000 0.662 293 V HN 0.481 nan 8.190 nan 0.000 0.455 294 T N 0.421 114.981 114.554 0.009 0.000 2.777 294 T HA -0.108 4.242 4.350 -0.000 0.000 0.266 294 T C 2.010 176.714 174.700 0.007 0.000 1.040 294 T CA 1.532 63.636 62.100 0.006 0.000 1.141 294 T CB -0.355 68.514 68.868 0.003 0.000 0.868 294 T HN 0.567 nan 8.240 nan 0.000 0.444 295 A N 1.009 123.832 122.820 0.005 0.000 2.067 295 A HA 0.321 4.641 4.320 -0.000 0.000 0.219 295 A C 2.492 180.077 177.584 0.002 0.000 1.158 295 A CA 1.453 53.490 52.037 -0.001 0.000 0.661 295 A CB -0.690 18.307 19.000 -0.005 0.000 0.801 295 A HN 0.488 nan 8.150 nan 0.000 0.452 296 A N -0.999 121.832 122.820 0.019 0.000 1.970 296 A HA 0.183 4.503 4.320 -0.000 0.000 0.216 296 A C 0.681 178.288 177.584 0.038 0.000 1.170 296 A CA 0.863 52.922 52.037 0.036 0.000 0.645 296 A CB -0.261 18.785 19.000 0.076 0.000 0.816 296 A HN 0.558 nan 8.150 nan 0.000 0.447 297 E N -1.909 118.310 120.200 0.031 0.000 2.807 297 E HA -0.139 4.211 4.350 -0.000 0.000 0.169 297 E C -2.078 174.552 176.600 0.050 0.000 1.548 297 E CA 0.196 56.616 56.400 0.033 0.000 0.697 297 E CB -1.194 28.524 29.700 0.030 0.000 1.106 297 E HN 0.363 nan 8.360 nan 0.000 0.382 298 P HA -0.222 nan 4.420 nan 0.000 0.216 298 P C 1.021 178.326 177.300 0.008 0.000 1.154 298 P CA 1.346 64.443 63.100 -0.005 0.000 0.865 298 P CB 0.249 31.925 31.700 -0.039 0.000 0.789 299 E N -1.286 118.925 120.200 0.019 0.000 2.150 299 E HA -0.121 4.229 4.350 -0.000 0.000 0.193 299 E C 1.895 178.537 176.600 0.070 0.000 0.985 299 E CA 0.841 57.259 56.400 0.029 0.000 0.814 299 E CB -0.731 28.984 29.700 0.024 0.000 0.752 299 E HN 0.209 nan 8.360 nan 0.000 0.466 300 I N 0.512 121.143 120.570 0.101 0.000 2.296 300 I HA -0.106 4.064 4.170 -0.000 0.000 0.242 300 I C 2.251 178.518 176.117 0.250 0.000 1.087 300 I CA 0.851 62.252 61.300 0.168 0.000 1.393 300 I CB -1.063 37.038 38.000 0.169 0.000 1.093 300 I HN 0.166 nan 8.210 nan 0.000 0.421 301 I N -1.076 119.649 120.570 0.259 0.000 3.176 301 I HA 0.061 4.231 4.170 -0.000 0.000 0.275 301 I C 1.741 178.132 176.117 0.457 0.000 1.298 301 I CA 0.937 62.476 61.300 0.398 0.000 1.445 301 I CB -0.438 37.827 38.000 0.442 0.000 1.075 301 I HN 0.050 nan 8.210 nan 0.000 0.482 302 A N 0.487 123.444 122.820 0.227 0.000 2.508 302 A HA 0.287 4.607 4.320 -0.000 0.000 0.257 302 A C 1.022 178.665 177.584 0.098 0.000 1.226 302 A CA -0.169 51.940 52.037 0.121 0.000 0.947 302 A CB -0.040 18.885 19.000 -0.123 0.000 1.079 302 A HN 0.350 nan 8.150 nan 0.000 0.531 303 S N -0.269 115.500 115.700 0.116 0.000 2.560 303 S HA 0.279 4.749 4.470 -0.000 0.000 0.284 303 S C 0.732 175.370 174.600 0.064 0.000 1.327 303 S CA -0.110 58.135 58.200 0.075 0.000 1.055 303 S CB 0.237 63.483 63.200 0.077 0.000 0.868 303 S HN 0.308 nan 8.310 nan 0.000 0.506 304 L N 5.207 126.454 121.223 0.040 0.000 2.616 304 L HA 0.284 4.624 4.340 -0.000 0.000 0.229 304 L C 0.264 177.144 176.870 0.016 0.000 1.110 304 L CA 0.013 54.872 54.840 0.032 0.000 0.884 304 L CB 0.286 42.361 42.059 0.027 0.000 1.115 304 L HN 0.622 nan 8.230 nan 0.000 0.481 305 V N -5.041 114.881 119.914 0.013 0.000 3.096 305 V HA 0.694 4.814 4.120 -0.000 0.000 0.319 305 V C -2.557 173.534 176.094 -0.006 0.000 1.103 305 V CA -2.711 59.591 62.300 0.004 0.000 1.016 305 V CB 1.069 32.897 31.823 0.008 0.000 1.090 305 V HN -0.180 nan 8.190 nan 0.000 0.449 306 P HA 0.286 nan 4.420 nan 0.000 0.266 306 P C -0.922 176.370 177.300 -0.013 0.000 1.195 306 P CA 0.169 63.253 63.100 -0.026 0.000 0.768 306 P CB 0.657 32.345 31.700 -0.019 0.000 0.838 307 V N 5.648 125.545 119.914 -0.028 0.000 2.531 307 V HA 0.316 4.436 4.120 -0.000 0.000 0.301 307 V C -2.280 173.831 176.094 0.027 0.000 1.034 307 V CA -2.252 60.060 62.300 0.020 0.000 0.865 307 V CB 1.904 33.766 31.823 0.065 0.000 0.995 307 V HN 0.462 nan 8.190 nan 0.000 0.424 308 P HA 0.030 nan 4.420 nan 0.000 0.262 308 P C 0.776 178.130 177.300 0.090 0.000 1.182 308 P CA 0.462 63.593 63.100 0.051 0.000 0.761 308 P CB 0.766 32.495 31.700 0.047 0.000 0.795 309 A N 6.807 129.673 122.820 0.076 0.000 1.884 309 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 309 A C -0.382 177.279 177.584 0.129 0.000 1.197 309 A CA 2.095 54.202 52.037 0.116 0.000 0.637 309 A CB -2.498 16.547 19.000 0.075 0.000 0.827 309 A HN 0.482 nan 8.150 nan 0.000 0.450 310 P HA -0.121 nan 4.420 nan 0.000 0.216 310 P C 1.560 178.897 177.300 0.063 0.000 1.153 310 P CA 1.568 64.702 63.100 0.056 0.000 0.858 310 P CB -0.133 31.588 31.700 0.036 0.000 0.789 311 V N -1.504 118.461 119.914 0.085 0.000 2.453 311 V HA -0.199 3.921 4.120 -0.000 0.000 0.247 311 V C 2.131 178.296 176.094 0.119 0.000 1.048 311 V CA 1.509 63.861 62.300 0.086 0.000 1.049 311 V CB -1.212 30.665 31.823 0.090 0.000 0.672 311 V HN 0.025 nan 8.190 nan 0.000 0.457 312 F N 1.418 121.376 119.950 0.014 0.000 2.163 312 F HA 0.323 4.850 4.527 -0.000 0.000 0.297 312 F C 1.658 177.465 175.800 0.012 0.000 1.094 312 F CA 0.106 58.117 58.000 0.018 0.000 1.290 312 F CB -0.487 38.525 39.000 0.020 0.000 1.017 312 F HN 0.070 nan 8.300 nan 0.000 0.483 313 A N 1.194 124.017 122.820 0.006 0.000 2.492 313 A HA 0.419 4.739 4.320 -0.000 0.000 0.236 313 A C 0.004 177.507 177.584 -0.134 0.000 1.078 313 A CA 0.429 52.416 52.037 -0.084 0.000 0.773 313 A CB -0.513 18.500 19.000 0.022 0.000 1.023 313 A HN 0.519 nan 8.150 nan 0.000 0.504 314 I N -2.684 117.807 120.570 -0.132 0.000 3.191 314 I HA 0.600 4.770 4.170 -0.000 0.000 0.313 314 I C -2.911 173.161 176.117 -0.076 0.000 1.193 314 I CA -2.968 58.268 61.300 -0.107 0.000 0.968 314 I CB 1.781 39.700 38.000 -0.135 0.000 1.262 314 I HN 0.266 nan 8.210 nan 0.000 0.456 315 P HA 0.146 nan 4.420 nan 0.000 0.257 315 P C -2.306 174.961 177.300 -0.054 0.000 1.189 315 P CA -0.121 62.949 63.100 -0.051 0.000 0.780 315 P CB -0.281 31.392 31.700 -0.045 0.000 0.772 316 P HA 0.281 nan 4.420 nan 0.000 0.276 316 P C -0.626 176.645 177.300 -0.048 0.000 1.261 316 P CA -0.300 62.770 63.100 -0.049 0.000 0.800 316 P CB 1.483 33.156 31.700 -0.045 0.000 1.066 317 K N 0.360 120.731 120.400 -0.048 0.000 2.340 317 K HA 0.578 4.898 4.320 -0.000 0.000 0.244 317 K C -2.394 174.176 176.600 -0.050 0.000 0.973 317 K CA -1.897 54.361 56.287 -0.048 0.000 0.828 317 K CB 1.119 33.589 32.500 -0.049 0.000 1.226 317 K HN 0.303 nan 8.250 nan 0.000 0.437 318 P HA 0.219 nan 4.420 nan 0.000 0.274 318 P C -1.515 175.744 177.300 -0.069 0.000 1.256 318 P CA -0.479 62.590 63.100 -0.051 0.000 0.795 318 P CB 0.800 32.476 31.700 -0.040 0.000 1.038 319 A N 0.549 123.321 122.820 -0.081 0.000 2.539 319 A HA 0.616 4.936 4.320 -0.000 0.000 0.296 319 A C -1.420 175.973 177.584 -0.318 0.000 1.073 319 A CA -0.495 51.412 52.037 -0.216 0.000 0.700 319 A CB 1.123 19.985 19.000 -0.230 0.000 1.296 319 A HN 0.398 nan 8.150 nan 0.000 0.405 320 D N -0.012 120.105 120.400 -0.471 0.000 2.252 320 D HA 0.734 5.374 4.640 -0.000 0.000 0.245 320 D C -1.297 174.663 176.300 -0.568 0.000 1.009 320 D CA 0.573 54.382 54.000 -0.319 0.000 0.870 320 D CB 1.327 42.054 40.800 -0.121 0.000 1.251 320 D HN 0.389 nan 8.370 nan 0.000 0.460 321 Y N -0.256 120.123 120.300 0.132 0.000 2.638 321 Y HA 0.333 4.883 4.550 -0.000 0.000 0.335 321 Y C -0.040 175.957 175.900 0.162 0.000 1.155 321 Y CA -1.118 57.076 58.100 0.156 0.000 1.046 321 Y CB 1.445 40.052 38.460 0.245 0.000 1.303 321 Y HN 0.128 nan 8.280 nan 0.000 0.460 322 N N 0.876 119.760 118.700 0.307 0.000 2.746 322 N HA 0.181 4.921 4.740 -0.000 0.000 0.250 322 N C 0.264 175.882 175.510 0.179 0.000 1.146 322 N CA -0.018 53.172 53.050 0.233 0.000 0.828 322 N CB 1.368 39.949 38.487 0.156 0.000 1.158 322 N HN 0.586 nan 8.380 nan 0.000 0.519 323 V N 2.629 122.651 119.914 0.179 0.000 2.495 323 V HA -0.298 3.822 4.120 -0.000 0.000 0.260 323 V C 2.471 178.521 176.094 -0.073 0.000 1.097 323 V CA 2.088 64.352 62.300 -0.061 0.000 1.105 323 V CB -0.495 31.111 31.823 -0.361 0.000 0.678 323 V HN 0.561 nan 8.190 nan 0.000 0.469 324 R N 0.992 121.536 120.500 0.074 0.000 2.115 324 R HA -0.098 4.242 4.340 -0.000 0.000 0.226 324 R C 2.147 178.450 176.300 0.006 0.000 1.100 324 R CA 1.775 57.909 56.100 0.057 0.000 0.980 324 R CB -0.560 29.812 30.300 0.121 0.000 0.875 324 R HN 0.661 nan 8.270 nan 0.000 0.445 325 T N -2.162 112.403 114.554 0.018 0.000 3.107 325 T HA 0.270 4.620 4.350 -0.000 0.000 0.249 325 T C 0.593 175.279 174.700 -0.024 0.000 1.096 325 T CA -0.294 61.807 62.100 0.002 0.000 1.012 325 T CB -0.122 68.760 68.868 0.024 0.000 0.977 325 T HN 0.015 nan 8.240 nan 0.000 0.527 326 L N 1.488 122.673 121.223 -0.063 0.000 2.453 326 L HA 0.403 4.743 4.340 -0.000 0.000 0.261 326 L C 0.459 177.244 176.870 -0.143 0.000 1.179 326 L CA -0.803 53.968 54.840 -0.115 0.000 0.813 326 L CB 0.647 42.564 42.059 -0.237 0.000 1.110 326 L HN -0.012 nan 8.230 nan 0.000 0.466 327 K N 3.304 123.619 120.400 -0.141 0.000 2.234 327 K HA 0.215 4.535 4.320 -0.000 0.000 0.277 327 K C 0.844 177.330 176.600 -0.190 0.000 1.038 327 K CA -0.273 55.935 56.287 -0.131 0.000 0.888 327 K CB 1.657 34.102 32.500 -0.092 0.000 1.091 327 K HN 0.586 nan 8.250 nan 0.000 0.467 328 I N -0.806 119.651 120.570 -0.189 0.000 2.756 328 I HA -0.199 3.971 4.170 -0.000 0.000 0.262 328 I C 0.628 176.636 176.117 -0.182 0.000 1.225 328 I CA 1.274 62.440 61.300 -0.224 0.000 1.472 328 I CB -0.271 37.617 38.000 -0.188 0.000 1.094 328 I HN 0.398 nan 8.210 nan 0.000 0.454 329 D N 0.162 120.480 120.400 -0.137 0.000 2.339 329 D HA -0.024 4.616 4.640 -0.000 0.000 0.217 329 D C 1.494 177.729 176.300 -0.108 0.000 1.050 329 D CA 0.269 54.205 54.000 -0.107 0.000 0.856 329 D CB 0.201 40.954 40.800 -0.079 0.000 0.922 329 D HN 0.537 nan 8.370 nan 0.000 0.518 330 E N -0.229 119.890 120.200 -0.136 0.000 2.354 330 E HA 0.320 4.670 4.350 -0.000 0.000 0.203 330 E C 0.238 176.740 176.600 -0.162 0.000 0.841 330 E CA 0.082 56.412 56.400 -0.116 0.000 1.046 330 E CB 0.608 30.256 29.700 -0.088 0.000 1.040 330 E HN 0.198 nan 8.360 nan 0.000 0.504 331 A N 1.652 124.289 122.820 -0.305 0.000 2.478 331 A HA 0.190 4.510 4.320 -0.000 0.000 0.327 331 A C 0.909 178.153 177.584 -0.567 0.000 1.431 331 A CA -0.352 51.338 52.037 -0.578 0.000 1.014 331 A CB -0.291 18.110 19.000 -0.999 0.000 1.143 331 A HN 0.217 nan 8.150 nan 0.000 0.532 332 T N -0.652 113.733 114.554 -0.283 0.000 3.155 332 T HA -0.091 4.259 4.350 -0.000 0.000 0.264 332 T C 0.782 175.448 174.700 -0.057 0.000 1.160 332 T CA 0.905 62.926 62.100 -0.131 0.000 1.075 332 T CB -0.487 68.374 68.868 -0.011 0.000 0.921 332 T HN 0.866 nan 8.240 nan 0.000 0.533 333 W N 0.853 122.092 121.300 -0.102 0.000 3.223 333 W HA 0.578 5.238 4.660 -0.000 0.000 0.389 333 W C -0.656 175.764 176.519 -0.165 0.000 1.118 333 W CA -1.167 56.110 57.345 -0.114 0.000 1.902 333 W CB -0.635 28.752 29.460 -0.120 0.000 1.094 333 W HN 0.165 nan 8.180 nan 0.000 0.666 334 L N 2.298 123.335 121.223 -0.311 0.000 2.354 334 L HA 0.668 5.008 4.340 -0.000 0.000 0.269 334 L C 0.088 176.798 176.870 -0.267 0.000 1.005 334 L CA -0.888 53.739 54.840 -0.355 0.000 0.819 334 L CB 1.848 43.574 42.059 -0.555 0.000 1.311 334 L HN -0.321 nan 8.230 nan 0.000 0.423 335 R N 2.872 123.199 120.500 -0.288 0.000 2.854 335 R HA 0.740 5.080 4.340 -0.000 0.000 0.271 335 R C -1.153 175.084 176.300 -0.106 0.000 0.994 335 R CA -0.747 55.231 56.100 -0.204 0.000 0.945 335 R CB 2.712 32.833 30.300 -0.298 0.000 1.194 335 R HN 0.667 nan 8.270 nan 0.000 0.476 336 M N 1.895 121.504 119.600 0.015 0.000 2.413 336 M HA 0.445 4.925 4.480 -0.000 0.000 0.287 336 M C -1.381 174.894 176.300 -0.042 0.000 1.186 336 M CA -0.612 54.722 55.300 0.057 0.000 0.927 336 M CB 2.175 34.753 32.600 -0.037 0.000 1.715 336 M HN 0.548 nan 8.290 nan 0.000 0.478 337 I N 5.628 126.146 120.570 -0.087 0.000 2.379 337 I HA 0.268 4.438 4.170 -0.000 0.000 0.290 337 I C -2.069 173.996 176.117 -0.087 0.000 1.063 337 I CA -1.704 59.471 61.300 -0.208 0.000 1.351 337 I CB 0.805 38.666 38.000 -0.230 0.000 1.410 337 I HN 0.445 nan 8.210 nan 0.000 0.505 338 P HA 0.018 nan 4.420 nan 0.000 0.262 338 P C -0.487 176.795 177.300 -0.030 0.000 1.182 338 P CA 0.152 63.222 63.100 -0.050 0.000 0.761 338 P CB 0.466 32.135 31.700 -0.050 0.000 0.795 339 K N 1.455 121.842 120.400 -0.021 0.000 2.117 339 K HA 0.255 4.575 4.320 -0.000 0.000 0.240 339 K C 0.643 177.237 176.600 -0.010 0.000 1.031 339 K CA -0.120 56.161 56.287 -0.011 0.000 0.909 339 K CB 0.041 32.535 32.500 -0.009 0.000 1.097 339 K HN 0.461 nan 8.250 nan 0.000 0.492 340 T N -0.223 114.328 114.554 -0.005 0.000 5.888 340 T HA -0.114 4.236 4.350 -0.000 0.000 0.275 340 T C 0.423 175.120 174.700 -0.004 0.000 2.123 340 T CA 1.227 63.324 62.100 -0.005 0.000 3.523 340 T CB -0.671 68.192 68.868 -0.009 0.000 1.240 340 T HN 0.496 nan 8.240 nan 0.000 1.133 341 M N -0.471 119.128 119.600 -0.001 0.000 2.313 341 M HA 0.408 4.888 4.480 -0.000 0.000 0.273 341 M C 1.834 178.139 176.300 0.009 0.000 1.049 341 M CA 1.023 56.322 55.300 -0.001 0.000 1.004 341 M CB -0.437 32.160 32.600 -0.005 0.000 1.461 341 M HN 0.610 nan 8.290 nan 0.000 0.514 342 G N 1.776 110.584 108.800 0.014 0.000 2.203 342 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.263 342 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.263 342 G C 0.199 175.124 174.900 0.042 0.000 1.012 342 G CA 0.673 45.786 45.100 0.022 0.000 0.749 342 G HN 0.414 nan 8.290 nan 0.000 0.512 343 T N 0.175 114.759 114.554 0.052 0.000 2.870 343 T HA 0.493 4.843 4.350 -0.000 0.000 0.300 343 T C -0.109 174.674 174.700 0.138 0.000 0.989 343 T CA 0.850 63.012 62.100 0.104 0.000 1.139 343 T CB 1.598 70.528 68.868 0.103 0.000 0.920 343 T HN 1.191 nan 8.240 nan 0.000 0.537 344 L N 5.158 126.516 121.223 0.224 0.000 2.847 344 L HA 0.602 4.942 4.340 -0.000 0.000 0.261 344 L C -1.975 175.073 176.870 0.297 0.000 0.926 344 L CA -0.666 54.276 54.840 0.171 0.000 1.010 344 L CB 1.045 43.152 42.059 0.079 0.000 1.538 344 L HN 0.705 nan 8.230 nan 0.000 0.465 345 F N 1.610 121.575 119.950 0.025 0.000 2.622 345 F HA 0.679 5.206 4.527 -0.000 0.000 0.318 345 F C -1.045 174.763 175.800 0.014 0.000 1.135 345 F CA -0.749 57.258 58.000 0.011 0.000 1.015 345 F CB 1.404 40.402 39.000 -0.004 0.000 1.275 345 F HN 0.541 nan 8.300 nan 0.000 0.457 346 Q N 4.718 124.558 119.800 0.066 0.000 2.259 346 Q HA 0.717 5.057 4.340 -0.000 0.000 0.249 346 Q C -0.271 175.713 176.000 -0.026 0.000 0.914 346 Q CA -0.813 54.977 55.803 -0.021 0.000 0.904 346 Q CB 2.571 31.332 28.738 0.038 0.000 1.213 346 Q HN 0.813 nan 8.270 nan 0.000 0.428 347 I N -1.977 118.471 120.570 -0.202 0.000 3.322 347 I HA 0.547 4.717 4.170 -0.000 0.000 0.313 347 I C -1.316 174.559 176.117 -0.403 0.000 1.129 347 I CA -1.252 59.904 61.300 -0.240 0.000 0.963 347 I CB 2.407 40.273 38.000 -0.222 0.000 1.273 347 I HN 0.477 nan 8.210 nan 0.000 0.473 348 Q N 1.554 121.162 119.800 -0.321 0.000 2.305 348 Q HA 0.746 5.086 4.340 -0.000 0.000 0.271 348 Q C -1.647 174.263 176.000 -0.149 0.000 1.046 348 Q CA -0.788 54.821 55.803 -0.324 0.000 0.798 348 Q CB 3.320 31.854 28.738 -0.341 0.000 1.286 348 Q HN 0.573 nan 8.270 nan 0.000 0.435 349 V N 0.823 120.731 119.914 -0.011 0.000 3.049 349 V HA 0.594 4.714 4.120 -0.000 0.000 0.309 349 V C -0.235 175.969 176.094 0.184 0.000 1.148 349 V CA -0.809 61.558 62.300 0.112 0.000 0.990 349 V CB 2.359 34.320 31.823 0.230 0.000 1.039 349 V HN 0.956 nan 8.190 nan 0.000 0.430 350 T N -0.827 113.812 114.554 0.141 0.000 2.945 350 T HA 0.723 5.073 4.350 -0.000 0.000 0.286 350 T C -0.724 174.116 174.700 0.233 0.000 1.025 350 T CA -0.734 61.465 62.100 0.165 0.000 1.039 350 T CB 1.767 70.677 68.868 0.070 0.000 1.068 350 T HN 0.781 nan 8.240 nan 0.000 0.497 351 D N 0.280 120.860 120.400 0.301 0.000 2.437 351 D HA 0.260 4.900 4.640 -0.000 0.000 0.259 351 D C 0.687 177.103 176.300 0.192 0.000 1.118 351 D CA -1.095 53.079 54.000 0.291 0.000 1.017 351 D CB 0.229 41.311 40.800 0.470 0.000 1.120 351 D HN 0.369 nan 8.370 nan 0.000 0.541 352 N N -1.004 117.796 118.700 0.167 0.000 2.651 352 N HA -0.086 4.654 4.740 -0.000 0.000 0.193 352 N C 0.736 176.313 175.510 0.112 0.000 1.149 352 N CA 0.989 54.112 53.050 0.122 0.000 0.933 352 N CB -0.332 38.219 38.487 0.108 0.000 0.974 352 N HN 0.693 nan 8.380 nan 0.000 0.448 353 T N -4.842 109.793 114.554 0.135 0.000 3.182 353 T HA 0.404 4.754 4.350 -0.000 0.000 0.277 353 T C 1.232 175.978 174.700 0.077 0.000 1.013 353 T CA 0.217 62.381 62.100 0.106 0.000 0.900 353 T CB 0.501 69.446 68.868 0.129 0.000 1.098 353 T HN 0.178 nan 8.240 nan 0.000 0.543 354 G N 1.394 110.238 108.800 0.073 0.000 2.212 354 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.266 354 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.266 354 G C 0.238 175.136 174.900 -0.003 0.000 0.978 354 G CA 0.238 45.360 45.100 0.036 0.000 0.632 354 G HN 0.728 nan 8.290 nan 0.000 0.537 355 T N 1.441 115.990 114.554 -0.008 0.000 2.888 355 T HA 0.316 4.666 4.350 -0.000 0.000 0.301 355 T C 0.473 175.001 174.700 -0.285 0.000 1.001 355 T CA 0.073 62.073 62.100 -0.167 0.000 1.147 355 T CB 1.001 69.747 68.868 -0.203 0.000 0.931 355 T HN 0.437 nan 8.240 nan 0.000 0.541 356 N N 2.097 120.583 118.700 -0.358 0.000 2.514 356 N HA 0.236 4.976 4.740 -0.000 0.000 0.277 356 N C -1.189 174.014 175.510 -0.511 0.000 1.126 356 N CA -0.432 52.440 53.050 -0.297 0.000 0.978 356 N CB 0.771 39.144 38.487 -0.189 0.000 1.106 356 N HN 0.526 nan 8.380 nan 0.000 0.461 357 W N 0.724 122.009 121.300 -0.026 0.000 2.864 357 W HA 0.323 4.983 4.660 -0.000 0.000 0.343 357 W C -0.572 175.946 176.519 -0.002 0.000 1.109 357 W CA -0.645 56.734 57.345 0.057 0.000 1.192 357 W CB 1.175 30.692 29.460 0.094 0.000 1.426 357 W HN 0.498 nan 8.180 nan 0.000 0.529 358 H N 1.575 120.894 119.070 0.414 0.000 2.492 358 H HA 0.661 5.217 4.556 -0.000 0.000 0.345 358 H C -0.620 174.939 175.328 0.384 0.000 1.136 358 H CA -0.533 55.659 56.048 0.240 0.000 1.202 358 H CB 1.287 31.141 29.762 0.153 0.000 1.524 358 H HN 0.283 nan 8.280 nan 0.000 0.506 359 F N -0.445 119.634 119.950 0.215 0.000 2.744 359 F HA 0.470 4.997 4.527 -0.000 0.000 0.311 359 F C -1.813 174.027 175.800 0.065 0.000 1.144 359 F CA -1.198 56.883 58.000 0.135 0.000 0.938 359 F CB 1.187 40.258 39.000 0.118 0.000 1.292 359 F HN 0.290 nan 8.300 nan 0.000 0.444 360 N N 2.045 120.886 118.700 0.235 0.000 2.361 360 N HA 0.673 5.413 4.740 -0.000 0.000 0.302 360 N C -1.527 173.996 175.510 0.022 0.000 1.074 360 N CA -0.559 52.502 53.050 0.018 0.000 0.850 360 N CB 2.672 41.144 38.487 -0.025 0.000 1.228 360 N HN 0.683 nan 8.380 nan 0.000 0.491 361 L N 1.557 122.605 121.223 -0.291 0.000 2.346 361 L HA 0.631 4.971 4.340 -0.000 0.000 0.276 361 L C 0.420 177.071 176.870 -0.364 0.000 1.006 361 L CA -0.694 53.958 54.840 -0.313 0.000 0.817 361 L CB 1.511 43.239 42.059 -0.551 0.000 1.272 361 L HN 0.661 nan 8.230 nan 0.000 0.421 362 R N 1.037 121.476 120.500 -0.102 0.000 2.902 362 R HA 0.593 4.933 4.340 -0.000 0.000 0.264 362 R C -0.381 175.931 176.300 0.020 0.000 1.059 362 R CA -0.870 55.219 56.100 -0.018 0.000 0.935 362 R CB 0.644 30.938 30.300 -0.011 0.000 1.325 362 R HN 0.496 nan 8.270 nan 0.000 0.438 363 G N -0.764 108.052 108.800 0.027 0.000 2.254 363 G HA2 0.348 4.308 3.960 -0.000 0.000 0.253 363 G HA3 0.348 4.308 3.960 -0.000 0.000 0.253 363 G C 0.884 175.795 174.900 0.018 0.000 1.246 363 G CA 0.460 45.569 45.100 0.014 0.000 0.946 363 G HN 1.323 nan 8.290 nan 0.000 0.474 364 G N 1.810 110.620 108.800 0.017 0.000 2.307 364 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.210 364 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.210 364 G C 0.679 175.622 174.900 0.072 0.000 1.005 364 G CA 0.168 45.287 45.100 0.032 0.000 0.634 364 G HN 1.087 nan 8.290 nan 0.000 0.496 365 T N 3.164 117.780 114.554 0.102 0.000 2.866 365 T HA 0.416 4.766 4.350 -0.000 0.000 0.293 365 T C 0.630 175.473 174.700 0.238 0.000 1.005 365 T CA 0.549 62.762 62.100 0.188 0.000 1.162 365 T CB 0.523 69.527 68.868 0.227 0.000 0.968 365 T HN 0.500 nan 8.240 nan 0.000 0.530 366 R N 1.421 122.033 120.500 0.188 0.000 2.778 366 R HA 0.786 5.126 4.340 -0.000 0.000 0.277 366 R C -0.517 175.689 176.300 -0.157 0.000 0.977 366 R CA -1.000 55.088 56.100 -0.020 0.000 0.950 366 R CB 1.792 31.993 30.300 -0.165 0.000 1.165 366 R HN 0.531 nan 8.270 nan 0.000 0.474 367 V N -1.918 117.701 119.914 -0.492 0.000 3.159 367 V HA 0.576 4.696 4.120 -0.000 0.000 0.308 367 V C -0.607 175.224 176.094 -0.439 0.000 1.190 367 V CA -1.013 60.987 62.300 -0.500 0.000 1.037 367 V CB 2.091 33.299 31.823 -1.025 0.000 1.060 367 V HN 0.400 nan 8.190 nan 0.000 0.437 368 V N 2.506 122.269 119.914 -0.252 0.000 2.407 368 V HA 0.381 4.501 4.120 -0.000 0.000 0.278 368 V C 0.417 176.507 176.094 -0.007 0.000 1.037 368 V CA -0.367 61.875 62.300 -0.096 0.000 0.900 368 V CB 1.256 33.040 31.823 -0.065 0.000 0.983 368 V HN 0.973 nan 8.190 nan 0.000 0.459 369 N N 4.742 123.489 118.700 0.080 0.000 2.448 369 N HA 0.178 4.918 4.740 -0.000 0.000 0.250 369 N C 0.987 176.533 175.510 0.061 0.000 1.136 369 N CA -0.036 53.117 53.050 0.173 0.000 0.953 369 N CB 0.881 39.478 38.487 0.183 0.000 1.251 369 N HN 0.669 nan 8.380 nan 0.000 0.502 370 L N 0.711 121.913 121.223 -0.035 0.000 2.127 370 L HA -0.120 4.220 4.340 -0.000 0.000 0.211 370 L C 0.853 177.530 176.870 -0.321 0.000 1.089 370 L CA 0.857 55.484 54.840 -0.355 0.000 0.757 370 L CB -0.381 41.401 42.059 -0.463 0.000 0.899 370 L HN 0.447 nan 8.230 nan 0.000 0.434 371 D N 0.556 120.947 120.400 -0.016 0.000 2.450 371 D HA -0.049 4.591 4.640 -0.000 0.000 0.247 371 D C 0.584 176.920 176.300 0.061 0.000 1.162 371 D CA 0.544 54.590 54.000 0.077 0.000 0.879 371 D CB 0.669 41.581 40.800 0.186 0.000 1.163 371 D HN 0.103 nan 8.370 nan 0.000 0.472 372 Q N 1.729 121.580 119.800 0.085 0.000 2.393 372 Q HA -0.206 4.134 4.340 -0.000 0.000 0.211 372 Q C 1.150 177.181 176.000 0.052 0.000 0.653 372 Q CA 1.157 57.003 55.803 0.073 0.000 1.331 372 Q CB -2.275 26.503 28.738 0.067 0.000 1.349 372 Q HN 0.850 nan 8.270 nan 0.000 0.824 373 I N -3.383 117.210 120.570 0.037 0.000 3.883 373 I HA 0.606 4.776 4.170 -0.000 0.000 0.326 373 I C 0.857 177.002 176.117 0.047 0.000 1.283 373 I CA 0.363 61.652 61.300 -0.019 0.000 1.161 373 I CB 0.357 38.273 38.000 -0.141 0.000 1.012 373 I HN 0.243 nan 8.210 nan 0.000 0.421 374 A N 1.065 123.980 122.820 0.158 0.000 3.112 374 A HA -0.112 4.208 4.320 -0.000 0.000 0.660 374 A C -2.524 175.157 177.584 0.161 0.000 0.470 374 A CA -0.612 51.498 52.037 0.121 0.000 0.194 374 A CB -2.570 16.452 19.000 0.037 0.000 3.812 374 A HN 0.331 nan 8.150 nan 0.000 0.537 375 P HA 0.333 nan 4.420 nan 0.000 0.260 375 P C -0.287 177.021 177.300 0.013 0.000 1.172 375 P CA 0.996 64.074 63.100 -0.038 0.000 0.760 375 P CB 0.250 31.899 31.700 -0.085 0.000 0.773 376 M N 3.078 122.718 119.600 0.066 0.000 2.365 376 M HA 0.339 4.819 4.480 -0.000 0.000 0.287 376 M C -1.098 175.155 176.300 -0.077 0.000 1.154 376 M CA -0.568 54.694 55.300 -0.064 0.000 0.941 376 M CB 2.450 34.957 32.600 -0.156 0.000 1.704 376 M HN 0.058 nan 8.290 nan 0.000 0.479 377 R N 3.072 123.465 120.500 -0.180 0.000 2.346 377 R HA 0.707 5.047 4.340 -0.000 0.000 0.311 377 R C -1.817 174.398 176.300 -0.143 0.000 0.983 377 R CA -0.213 55.843 56.100 -0.073 0.000 0.880 377 R CB 0.804 31.074 30.300 -0.049 0.000 1.100 377 R HN 0.635 nan 8.270 nan 0.000 0.453 378 F N 3.203 123.177 119.950 0.040 0.000 2.469 378 F HA 0.480 5.007 4.527 0.000 0.000 0.332 378 F C -0.382 175.578 175.800 0.266 0.000 1.103 378 F CA -0.797 57.289 58.000 0.144 0.000 0.979 378 F CB 2.270 41.332 39.000 0.103 0.000 1.137 378 F HN 0.076 nan 8.300 nan 0.000 0.463 379 V N 4.490 124.666 119.914 0.435 0.000 2.569 379 V HA 0.393 4.513 4.120 -0.000 0.000 0.301 379 V C -1.169 175.123 176.094 0.330 0.000 1.044 379 V CA -0.652 61.853 62.300 0.341 0.000 0.874 379 V CB 1.974 33.910 31.823 0.188 0.000 1.002 379 V HN 0.525 nan 8.190 nan 0.000 0.424 380 L N 3.903 125.275 121.223 0.249 0.000 2.296 380 L HA 0.709 5.049 4.340 -0.000 0.000 0.286 380 L C -0.580 176.310 176.870 0.034 0.000 1.023 380 L CA 0.237 55.163 54.840 0.145 0.000 0.812 380 L CB 1.536 43.569 42.059 -0.044 0.000 1.223 380 L HN 0.681 nan 8.230 nan 0.000 0.421 381 D N 4.402 124.845 120.400 0.073 0.000 2.453 381 D HA 0.237 4.877 4.640 -0.000 0.000 0.238 381 D C 0.316 176.647 176.300 0.050 0.000 1.088 381 D CA -0.135 53.894 54.000 0.048 0.000 0.854 381 D CB 0.950 41.792 40.800 0.072 0.000 1.076 381 D HN 0.560 nan 8.370 nan 0.000 0.533 382 L N 2.467 123.696 121.223 0.010 0.000 2.627 382 L HA 0.289 4.629 4.340 -0.000 0.000 0.232 382 L C 1.452 178.372 176.870 0.084 0.000 1.150 382 L CA -0.302 54.560 54.840 0.038 0.000 0.917 382 L CB 0.152 42.177 42.059 -0.057 0.000 1.104 382 L HN 0.364 nan 8.230 nan 0.000 0.445 383 G N -0.673 108.172 108.800 0.075 0.000 2.340 383 G HA2 0.332 4.292 3.960 -0.000 0.000 0.245 383 G HA3 0.332 4.292 3.960 -0.000 0.000 0.245 383 G C 1.087 176.049 174.900 0.103 0.000 1.294 383 G CA 0.466 45.618 45.100 0.085 0.000 0.896 383 G HN 0.414 nan 8.290 nan 0.000 0.522 384 G N 1.589 110.456 108.800 0.112 0.000 2.268 384 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.240 384 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.240 384 G C 0.770 175.756 174.900 0.144 0.000 1.010 384 G CA 0.585 45.763 45.100 0.130 0.000 0.618 384 G HN 0.770 nan 8.290 nan 0.000 0.516 385 K N 0.935 121.426 120.400 0.151 0.000 2.180 385 K HA 0.600 4.920 4.320 -0.000 0.000 0.251 385 K C 1.223 177.932 176.600 0.182 0.000 1.014 385 K CA 0.379 56.759 56.287 0.155 0.000 0.913 385 K CB 1.347 34.008 32.500 0.269 0.000 1.008 385 K HN 0.210 nan 8.250 nan 0.000 0.490 386 S N 0.060 115.826 115.700 0.110 0.000 2.583 386 S HA 0.001 4.471 4.470 -0.000 0.000 0.203 386 S C 0.047 174.830 174.600 0.304 0.000 0.952 386 S CA 0.348 58.632 58.200 0.139 0.000 0.887 386 S CB -0.414 62.804 63.200 0.031 0.000 0.857 386 S HN 0.595 nan 8.310 nan 0.000 0.611 387 Y N 0.284 120.671 120.300 0.146 0.000 4.798 387 Y HA -0.174 4.376 4.550 -0.000 0.000 0.237 387 Y C 0.227 176.278 175.900 0.251 0.000 1.017 387 Y CA 0.671 58.911 58.100 0.234 0.000 2.010 387 Y CB -1.661 37.042 38.460 0.406 0.000 1.582 387 Y HN 0.241 nan 8.280 nan 0.000 0.621 388 K N 2.696 123.247 120.400 0.252 0.000 2.339 388 K HA 0.396 4.716 4.320 -0.000 0.000 0.286 388 K C -0.224 176.469 176.600 0.156 0.000 1.050 388 K CA 0.181 56.583 56.287 0.192 0.000 0.956 388 K CB 0.560 33.126 32.500 0.110 0.000 0.990 388 K HN 0.358 nan 8.250 nan 0.000 0.475 389 E N 1.992 122.303 120.200 0.185 0.000 2.378 389 E HA 0.226 4.576 4.350 -0.000 0.000 0.265 389 E C 0.290 176.957 176.600 0.112 0.000 0.932 389 E CA -0.881 55.602 56.400 0.137 0.000 0.795 389 E CB 1.415 31.206 29.700 0.152 0.000 1.296 389 E HN 0.587 nan 8.360 nan 0.000 0.438 390 T N 0.145 114.746 114.554 0.078 0.000 2.721 390 T HA -0.182 4.168 4.350 -0.000 0.000 0.268 390 T C 1.320 176.060 174.700 0.066 0.000 1.038 390 T CA 1.860 63.996 62.100 0.059 0.000 1.145 390 T CB -0.106 68.788 68.868 0.044 0.000 0.858 390 T HN 0.300 nan 8.240 nan 0.000 0.459 391 S N 0.021 115.782 115.700 0.103 0.000 2.751 391 S HA 0.355 4.825 4.470 -0.000 0.000 0.247 391 S C -1.280 173.444 174.600 0.208 0.000 1.103 391 S CA -0.836 57.429 58.200 0.109 0.000 1.090 391 S CB -0.037 63.219 63.200 0.094 0.000 0.928 391 S HN 0.537 nan 8.310 nan 0.000 0.502 392 W N 1.970 123.241 121.300 -0.048 0.000 3.544 392 W HA 0.320 4.980 4.660 -0.000 0.000 0.326 392 W C -2.483 173.991 176.519 -0.075 0.000 1.137 392 W CA -0.474 56.819 57.345 -0.088 0.000 1.252 392 W CB 1.263 30.651 29.460 -0.120 0.000 1.302 392 W HN 0.152 nan 8.180 nan 0.000 0.467 393 D N 8.144 128.222 120.400 -0.536 0.000 2.425 393 D HA 0.246 4.886 4.640 -0.000 0.000 0.240 393 D C -1.196 174.806 176.300 -0.497 0.000 1.080 393 D CA -1.819 51.977 54.000 -0.340 0.000 0.836 393 D CB 2.842 43.497 40.800 -0.242 0.000 1.125 393 D HN 0.082 nan 8.370 nan 0.000 0.525 394 P HA -0.148 nan 4.420 nan 0.000 0.221 394 P C 0.375 177.646 177.300 -0.048 0.000 1.145 394 P CA 0.304 63.406 63.100 0.004 0.000 0.795 394 P CB 0.266 32.134 31.700 0.280 0.000 0.775 395 N N 0.573 119.206 118.700 -0.111 0.000 2.429 395 N HA 0.193 4.933 4.740 -0.000 0.000 0.271 395 N C 1.351 176.812 175.510 -0.083 0.000 1.272 395 N CA 1.588 54.577 53.050 -0.101 0.000 0.921 395 N CB -0.701 37.700 38.487 -0.143 0.000 1.128 395 N HN 0.216 nan 8.380 nan 0.000 0.481 396 G N 2.353 111.153 108.800 0.000 0.000 2.194 396 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.236 396 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.236 396 G C 0.208 175.112 174.900 0.008 0.000 0.987 396 G CA 0.023 45.132 45.100 0.015 0.000 0.635 396 G HN 0.565 nan 8.290 nan 0.000 0.520 397 K N 0.470 120.863 120.400 -0.011 0.000 2.118 397 K HA 0.613 4.933 4.320 -0.000 0.000 0.240 397 K C 0.419 177.125 176.600 0.178 0.000 1.035 397 K CA 0.041 56.358 56.287 0.050 0.000 0.899 397 K CB 0.544 33.048 32.500 0.007 0.000 1.085 397 K HN 0.366 nan 8.250 nan 0.000 0.498 398 K N 0.325 120.872 120.400 0.244 0.000 2.371 398 K HA 0.411 4.731 4.320 -0.000 0.000 0.251 398 K C -0.754 175.896 176.600 0.084 0.000 0.934 398 K CA -0.870 55.497 56.287 0.134 0.000 0.798 398 K CB 2.069 34.593 32.500 0.040 0.000 1.204 398 K HN 0.407 nan 8.250 nan 0.000 0.427 399 V N -1.585 118.265 119.914 -0.107 0.000 2.864 399 V HA 0.981 5.101 4.120 -0.000 0.000 0.314 399 V C -0.088 175.787 176.094 -0.365 0.000 1.073 399 V CA -0.590 61.517 62.300 -0.321 0.000 0.956 399 V CB 1.655 33.172 31.823 -0.510 0.000 1.023 399 V HN 0.857 nan 8.190 nan 0.000 0.435 400 G N 1.051 109.573 108.800 -0.464 0.000 2.684 400 G HA2 0.668 4.628 3.960 -0.000 0.000 0.290 400 G HA3 0.668 4.628 3.960 -0.000 0.000 0.290 400 G C -1.874 172.769 174.900 -0.429 0.000 1.425 400 G CA -0.809 44.036 45.100 -0.425 0.000 0.822 400 G HN 0.690 nan 8.290 nan 0.000 0.482 401 F N 0.221 119.973 119.950 -0.331 0.000 2.404 401 F HA 0.548 5.075 4.527 -0.000 0.000 0.354 401 F C -0.158 175.419 175.800 -0.371 0.000 1.122 401 F CA -0.695 57.089 58.000 -0.360 0.000 1.080 401 F CB 1.778 40.597 39.000 -0.301 0.000 1.131 401 F HN 0.033 nan 8.300 nan 0.000 0.471 402 I N 4.450 124.919 120.570 -0.167 0.000 2.433 402 I HA 0.326 4.496 4.170 -0.000 0.000 0.292 402 I C -0.754 175.188 176.117 -0.291 0.000 1.001 402 I CA -0.698 60.429 61.300 -0.289 0.000 1.119 402 I CB 1.846 39.609 38.000 -0.395 0.000 1.289 402 I HN 0.121 nan 8.210 nan 0.000 0.438 403 V N 6.567 126.278 119.914 -0.338 0.000 2.357 403 V HA 0.430 4.550 4.120 -0.000 0.000 0.284 403 V C -0.369 175.647 176.094 -0.129 0.000 1.018 403 V CA -0.518 61.671 62.300 -0.185 0.000 0.841 403 V CB 0.571 32.291 31.823 -0.173 0.000 0.991 403 V HN 0.364 nan 8.190 nan 0.000 0.437 404 F N 2.555 122.604 119.950 0.166 0.000 2.399 404 F HA 0.602 5.129 4.527 -0.000 0.000 0.328 404 F C 0.675 176.533 175.800 0.098 0.000 1.084 404 F CA -0.573 57.574 58.000 0.245 0.000 1.053 404 F CB 1.221 40.547 39.000 0.543 0.000 1.209 404 F HN 0.350 nan 8.300 nan 0.000 0.502 405 Q N 1.757 121.699 119.800 0.236 0.000 2.533 405 Q HA 0.405 4.745 4.340 -0.000 0.000 0.251 405 Q C -1.124 174.875 176.000 -0.001 0.000 0.966 405 Q CA -0.510 55.249 55.803 -0.073 0.000 0.714 405 Q CB 2.108 30.826 28.738 -0.033 0.000 1.284 405 Q HN 0.665 nan 8.270 nan 0.000 0.478 406 S N 1.220 116.906 115.700 -0.024 0.000 2.595 406 S HA 0.412 4.882 4.470 -0.000 0.000 0.281 406 S C 0.105 174.720 174.600 0.025 0.000 1.117 406 S CA -0.612 57.639 58.200 0.085 0.000 0.873 406 S CB 1.504 64.903 63.200 0.332 0.000 1.108 406 S HN 0.532 nan 8.310 nan 0.000 0.477 407 K N 1.550 121.979 120.400 0.048 0.000 2.361 407 K HA 0.296 4.616 4.320 -0.000 0.000 0.196 407 K C 0.030 176.701 176.600 0.119 0.000 1.039 407 K CA 0.480 56.794 56.287 0.045 0.000 1.001 407 K CB -0.054 32.462 32.500 0.027 0.000 0.795 407 K HN 0.577 nan 8.250 nan 0.000 0.495 408 I N 3.062 123.758 120.570 0.210 0.000 2.395 408 I HA 0.125 4.295 4.170 -0.000 0.000 0.289 408 I C -2.357 174.061 176.117 0.501 0.000 1.023 408 I CA -2.594 58.886 61.300 0.300 0.000 1.350 408 I CB 0.876 39.032 38.000 0.261 0.000 1.409 408 I HN -0.275 nan 8.210 nan 0.000 0.507 409 P HA -0.055 nan 4.420 nan 0.000 0.265 409 P C 0.378 177.766 177.300 0.146 0.000 1.193 409 P CA 0.019 63.287 63.100 0.281 0.000 0.765 409 P CB 0.412 32.200 31.700 0.146 0.000 0.823 410 F N 3.868 123.614 119.950 -0.341 0.000 2.120 410 F HA -0.260 4.267 4.527 -0.000 0.000 0.300 410 F C 1.655 177.040 175.800 -0.692 0.000 1.095 410 F CA 1.916 59.189 58.000 -1.211 0.000 1.249 410 F CB -0.441 37.592 39.000 -1.611 0.000 0.995 410 F HN 0.334 nan 8.300 nan 0.000 0.480 411 E N 0.495 120.468 120.200 -0.377 0.000 2.219 411 E HA -0.202 4.148 4.350 -0.000 0.000 0.198 411 E C 1.988 178.455 176.600 -0.222 0.000 0.998 411 E CA 1.590 57.810 56.400 -0.299 0.000 0.818 411 E CB -0.636 28.984 29.700 -0.133 0.000 0.741 411 E HN 0.481 nan 8.360 nan 0.000 0.477 412 L N -0.655 120.508 121.223 -0.100 0.000 2.554 412 L HA 0.071 4.411 4.340 -0.000 0.000 0.226 412 L C 0.140 177.075 176.870 0.108 0.000 1.137 412 L CA -0.427 54.425 54.840 0.020 0.000 0.863 412 L CB -0.161 41.946 42.059 0.080 0.000 0.985 412 L HN 0.122 nan 8.230 nan 0.000 0.451 413 W N 1.358 122.503 121.300 -0.258 0.000 2.223 413 W HA 0.173 4.833 4.660 -0.000 0.000 0.334 413 W C 1.375 177.732 176.519 -0.269 0.000 1.334 413 W CA 0.177 57.363 57.345 -0.264 0.000 1.246 413 W CB 0.067 29.380 29.460 -0.245 0.000 1.184 413 W HN 0.047 nan 8.180 nan 0.000 0.563 414 T N -1.484 112.876 114.554 -0.323 0.000 3.177 414 T HA 0.521 4.871 4.350 -0.000 0.000 0.267 414 T C -0.009 174.055 174.700 -1.060 0.000 0.858 414 T CA 0.306 62.141 62.100 -0.441 0.000 0.846 414 T CB -0.261 68.494 68.868 -0.189 0.000 1.256 414 T HN 0.457 nan 8.240 nan 0.000 0.601 415 A N 0.523 122.628 122.820 -1.191 0.000 2.454 415 A HA 0.952 5.272 4.320 -0.000 0.000 0.302 415 A C 1.333 178.360 177.584 -0.928 0.000 1.079 415 A CA -0.269 51.194 52.037 -0.958 0.000 0.731 415 A CB 1.164 19.901 19.000 -0.438 0.000 1.299 415 A HN 0.628 nan 8.150 nan 0.000 0.413 416 A N 0.695 123.284 122.820 -0.386 0.000 2.076 416 A HA -0.047 4.273 4.320 -0.000 0.000 0.220 416 A C 2.133 179.613 177.584 -0.174 0.000 1.160 416 A CA 2.400 54.404 52.037 -0.054 0.000 0.653 416 A CB -0.895 18.152 19.000 0.079 0.000 0.801 416 A HN 1.782 nan 8.150 nan 0.000 0.455 417 S N -0.580 114.983 115.700 -0.228 0.000 2.474 417 S HA -0.171 4.299 4.470 -0.000 0.000 0.235 417 S C 1.522 175.964 174.600 -0.264 0.000 0.997 417 S CA 1.208 59.289 58.200 -0.198 0.000 0.949 417 S CB -0.355 62.748 63.200 -0.163 0.000 0.766 417 S HN 0.740 nan 8.310 nan 0.000 0.517 418 Q N 0.777 120.320 119.800 -0.430 0.000 2.392 418 Q HA 0.344 4.684 4.340 -0.000 0.000 0.203 418 Q C 1.871 177.369 176.000 -0.837 0.000 0.917 418 Q CA 0.406 55.873 55.803 -0.561 0.000 0.939 418 Q CB -0.309 28.036 28.738 -0.655 0.000 1.063 418 Q HN 0.902 nan 8.270 nan 0.000 0.516 419 I N -3.069 117.036 120.570 -0.775 0.000 3.334 419 I HA 0.161 4.331 4.170 -0.000 0.000 0.282 419 I C 1.096 177.166 176.117 -0.078 0.000 1.313 419 I CA 0.500 61.366 61.300 -0.723 0.000 1.396 419 I CB -0.700 37.186 38.000 -0.190 0.000 1.054 419 I HN 0.144 nan 8.210 nan 0.000 0.495 420 G N 1.900 110.650 108.800 -0.083 0.000 2.596 420 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.295 420 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.295 420 G C -0.250 174.695 174.900 0.074 0.000 1.240 420 G CA 0.169 45.281 45.100 0.021 0.000 0.985 420 G HN 0.522 nan 8.290 nan 0.000 0.555 421 Q N 1.318 121.173 119.800 0.093 0.000 2.296 421 Q HA 0.649 4.989 4.340 -0.000 0.000 0.257 421 Q C 0.350 176.405 176.000 0.091 0.000 0.942 421 Q CA 0.505 56.357 55.803 0.081 0.000 0.939 421 Q CB 1.158 29.935 28.738 0.064 0.000 1.198 421 Q HN 1.226 nan 8.270 nan 0.000 0.429 422 A N 2.402 125.244 122.820 0.036 0.000 2.401 422 A HA 0.878 5.198 4.320 -0.000 0.000 0.310 422 A C -0.671 176.866 177.584 -0.078 0.000 1.075 422 A CA -0.479 51.489 52.037 -0.115 0.000 0.746 422 A CB 1.604 20.454 19.000 -0.249 0.000 1.277 422 A HN 0.555 nan 8.150 nan 0.000 0.425 423 T N 0.971 115.450 114.554 -0.126 0.000 2.971 423 T HA 0.405 4.755 4.350 -0.000 0.000 0.304 423 T C -0.861 173.802 174.700 -0.061 0.000 1.038 423 T CA -0.413 61.668 62.100 -0.031 0.000 1.007 423 T CB 1.464 70.340 68.868 0.013 0.000 1.055 423 T HN 0.524 nan 8.240 nan 0.000 0.451 424 V N 4.284 124.213 119.914 0.024 0.000 2.387 424 V HA 0.076 4.196 4.120 -0.000 0.000 0.260 424 V C 1.661 177.776 176.094 0.036 0.000 1.054 424 V CA 0.040 62.329 62.300 -0.019 0.000 0.967 424 V CB 0.583 32.400 31.823 -0.009 0.000 1.036 424 V HN 0.888 nan 8.190 nan 0.000 0.481 425 V N 1.734 121.643 119.914 -0.007 0.000 3.406 425 V HA 0.331 4.451 4.120 -0.000 0.000 0.263 425 V C 0.629 176.792 176.094 0.115 0.000 1.172 425 V CA 0.747 63.085 62.300 0.063 0.000 1.140 425 V CB -0.529 31.308 31.823 0.023 0.000 0.784 425 V HN 0.796 nan 8.190 nan 0.000 0.467 426 N N -0.377 118.376 118.700 0.088 0.000 3.452 426 N HA 0.378 5.118 4.740 -0.000 0.000 0.231 426 N C -1.619 173.878 175.510 -0.023 0.000 1.264 426 N CA -0.254 52.813 53.050 0.029 0.000 0.928 426 N CB 1.818 40.360 38.487 0.092 0.000 1.547 426 N HN 0.463 nan 8.380 nan 0.000 0.509 427 Y N -0.917 119.268 120.300 -0.192 0.000 2.641 427 Y HA 0.737 5.287 4.550 -0.000 0.000 0.333 427 Y C -1.398 174.381 175.900 -0.203 0.000 1.174 427 Y CA -1.086 56.833 58.100 -0.302 0.000 1.057 427 Y CB 0.448 38.617 38.460 -0.484 0.000 1.322 427 Y HN 0.336 nan 8.280 nan 0.000 0.457 428 V N -0.488 119.396 119.914 -0.051 0.000 3.078 428 V HA 0.646 4.766 4.120 -0.000 0.000 0.311 428 V C -1.129 174.997 176.094 0.054 0.000 1.138 428 V CA -1.048 61.224 62.300 -0.046 0.000 1.007 428 V CB 1.778 33.543 31.823 -0.097 0.000 1.045 428 V HN 1.088 nan 8.190 nan 0.000 0.432 429 Q N 1.627 121.474 119.800 0.079 0.000 2.241 429 Q HA 0.668 5.008 4.340 -0.000 0.000 0.254 429 Q C -1.211 174.840 176.000 0.085 0.000 0.917 429 Q CA -0.680 55.186 55.803 0.104 0.000 0.919 429 Q CB 1.686 30.500 28.738 0.127 0.000 1.237 429 Q HN 0.826 nan 8.270 nan 0.000 0.434 430 L N 3.301 124.583 121.223 0.098 0.000 2.399 430 L HA 0.381 4.721 4.340 -0.000 0.000 0.266 430 L C -0.727 176.240 176.870 0.161 0.000 1.114 430 L CA -0.827 54.078 54.840 0.108 0.000 0.804 430 L CB 0.539 42.662 42.059 0.106 0.000 1.146 430 L HN 0.674 nan 8.230 nan 0.000 0.451 431 Y N 1.563 121.882 120.300 0.033 0.000 2.361 431 Y HA 0.685 5.235 4.550 -0.000 0.000 0.337 431 Y C -0.534 175.391 175.900 0.041 0.000 0.965 431 Y CA -0.874 57.243 58.100 0.028 0.000 1.091 431 Y CB 1.578 40.050 38.460 0.021 0.000 1.182 431 Y HN 0.605 nan 8.280 nan 0.000 0.450 432 A N 4.856 127.292 122.820 -0.640 0.000 2.386 432 A HA 0.826 5.146 4.320 -0.000 0.000 0.308 432 A C -1.048 176.134 177.584 -0.670 0.000 1.128 432 A CA -0.532 51.230 52.037 -0.458 0.000 0.789 432 A CB 1.926 20.815 19.000 -0.185 0.000 1.325 432 A HN 0.859 nan 8.150 nan 0.000 0.437 433 E N -0.581 119.420 120.200 -0.332 0.000 2.350 433 E HA 0.373 4.723 4.350 -0.000 0.000 0.243 433 E C -1.660 174.893 176.600 -0.078 0.000 0.959 433 E CA -0.660 55.614 56.400 -0.210 0.000 0.883 433 E CB 1.205 30.828 29.700 -0.130 0.000 1.820 433 E HN 0.580 nan 8.360 nan 0.000 0.441 434 D N 0.943 121.324 120.400 -0.031 0.000 2.168 434 D HA 0.284 4.924 4.640 -0.000 0.000 0.246 434 D C -0.549 175.759 176.300 0.014 0.000 1.050 434 D CA -0.122 53.879 54.000 0.000 0.000 0.857 434 D CB 1.788 42.590 40.800 0.003 0.000 1.169 434 D HN 0.423 nan 8.370 nan 0.000 0.453 435 S N 0.001 115.728 115.700 0.044 0.000 2.713 435 S HA 0.236 4.706 4.470 -0.000 0.000 0.277 435 S C 1.433 176.007 174.600 -0.044 0.000 1.168 435 S CA -0.334 57.887 58.200 0.034 0.000 0.994 435 S CB 1.263 64.563 63.200 0.166 0.000 1.054 435 S HN 0.365 nan 8.310 nan 0.000 0.555 436 S N -0.209 115.367 115.700 -0.206 0.000 2.399 436 S HA -0.003 4.467 4.470 -0.000 0.000 0.231 436 S C 0.259 174.685 174.600 -0.289 0.000 1.022 436 S CA 0.348 58.363 58.200 -0.308 0.000 0.983 436 S CB -1.066 61.843 63.200 -0.484 0.000 0.803 436 S HN 0.612 nan 8.310 nan 0.000 0.480 437 F N 3.923 123.877 119.950 0.007 0.000 2.471 437 F HA 0.307 4.834 4.527 -0.000 0.000 0.365 437 F C 1.209 177.012 175.800 0.005 0.000 1.095 437 F CA -0.695 57.309 58.000 0.006 0.000 1.174 437 F CB -0.104 38.899 39.000 0.005 0.000 1.105 437 F HN -0.041 nan 8.300 nan 0.000 0.535 438 T N 1.004 115.651 114.554 0.155 0.000 2.855 438 T HA 0.307 4.657 4.350 -0.000 0.000 0.322 438 T C 1.138 175.895 174.700 0.095 0.000 1.088 438 T CA 0.013 62.168 62.100 0.092 0.000 1.104 438 T CB 0.998 69.903 68.868 0.061 0.000 0.996 438 T HN 1.063 nan 8.240 nan 0.000 0.549 439 A N 0.139 122.996 122.820 0.063 0.000 3.420 439 A HA -0.184 4.136 4.320 -0.000 0.000 0.269 439 A C 0.559 178.177 177.584 0.058 0.000 1.122 439 A CA 1.171 53.238 52.037 0.050 0.000 1.023 439 A CB -1.756 17.269 19.000 0.041 0.000 1.099 439 A HN 0.758 nan 8.150 nan 0.000 0.860 440 Q N 0.206 120.059 119.800 0.087 0.000 2.266 440 Q HA 0.595 4.935 4.340 -0.000 0.000 0.261 440 Q C 0.052 176.106 176.000 0.090 0.000 0.985 440 Q CA 0.329 56.187 55.803 0.093 0.000 0.873 440 Q CB 1.914 30.733 28.738 0.136 0.000 1.306 440 Q HN 0.946 nan 8.270 nan 0.000 0.447 441 S N 1.008 116.754 115.700 0.076 0.000 2.549 441 S HA 0.711 5.181 4.470 -0.000 0.000 0.297 441 S C -0.155 174.493 174.600 0.081 0.000 1.115 441 S CA -0.842 57.390 58.200 0.053 0.000 1.059 441 S CB 1.240 64.456 63.200 0.027 0.000 1.046 441 S HN 0.640 nan 8.310 nan 0.000 0.506 442 I N 2.871 123.474 120.570 0.055 0.000 2.389 442 I HA 0.475 4.645 4.170 -0.000 0.000 0.288 442 I C -1.081 175.062 176.117 0.043 0.000 0.999 442 I CA -1.423 59.925 61.300 0.080 0.000 1.129 442 I CB 0.752 38.804 38.000 0.086 0.000 1.288 442 I HN 0.729 nan 8.210 nan 0.000 0.444 443 I N 7.360 127.981 120.570 0.085 0.000 2.529 443 I HA 0.269 4.439 4.170 -0.000 0.000 0.284 443 I C 0.957 177.123 176.117 0.081 0.000 1.082 443 I CA -0.194 61.149 61.300 0.072 0.000 1.406 443 I CB 1.371 39.442 38.000 0.118 0.000 1.405 443 I HN 0.652 nan 8.210 nan 0.000 0.548 444 A N 4.941 127.821 122.820 0.100 0.000 2.448 444 A HA 0.210 4.530 4.320 -0.000 0.000 0.239 444 A C 0.431 178.074 177.584 0.099 0.000 1.080 444 A CA -0.146 51.978 52.037 0.145 0.000 0.779 444 A CB -0.057 19.103 19.000 0.267 0.000 1.026 444 A HN 0.718 nan 8.150 nan 0.000 0.499 445 T N 1.778 116.382 114.554 0.083 0.000 2.928 445 T HA 0.410 4.760 4.350 -0.000 0.000 0.305 445 T C 0.737 175.460 174.700 0.039 0.000 1.035 445 T CA 1.001 63.136 62.100 0.057 0.000 1.145 445 T CB -0.100 68.798 68.868 0.050 0.000 0.963 445 T HN 0.974 nan 8.240 nan 0.000 0.545 446 T N -0.412 114.153 114.554 0.018 0.000 2.930 446 T HA 0.646 4.996 4.350 -0.000 0.000 0.290 446 T C -0.014 174.680 174.700 -0.009 0.000 1.052 446 T CA -0.960 61.133 62.100 -0.011 0.000 1.017 446 T CB 1.810 70.645 68.868 -0.056 0.000 1.137 446 T HN 0.257 nan 8.240 nan 0.000 0.511 447 S N 0.909 116.595 115.700 -0.023 0.000 2.694 447 S HA 0.236 4.706 4.470 -0.000 0.000 0.232 447 S C -0.399 174.196 174.600 -0.009 0.000 1.017 447 S CA -0.605 57.597 58.200 0.003 0.000 1.139 447 S CB -0.187 63.022 63.200 0.015 0.000 1.247 447 S HN 0.745 nan 8.310 nan 0.000 0.452 448 L N 3.536 124.710 121.223 -0.081 0.000 2.615 448 L HA 0.453 4.793 4.340 -0.000 0.000 0.271 448 L C 0.201 177.111 176.870 0.066 0.000 1.183 448 L CA 0.554 55.300 54.840 -0.156 0.000 0.933 448 L CB -0.261 41.504 42.059 -0.489 0.000 1.199 448 L HN 0.411 nan 8.230 nan 0.000 0.487 449 A N 5.217 128.146 122.820 0.183 0.000 2.337 449 A HA 0.712 5.032 4.320 -0.000 0.000 0.331 449 A C -1.622 176.268 177.584 0.510 0.000 1.137 449 A CA -0.473 51.779 52.037 0.359 0.000 0.807 449 A CB 1.054 20.170 19.000 0.192 0.000 1.250 449 A HN 0.731 nan 8.150 nan 0.000 0.468 450 Y N 1.373 121.870 120.300 0.328 0.000 2.390 450 Y HA 0.464 5.014 4.550 0.000 0.000 0.324 450 Y C -1.597 174.423 175.900 0.200 0.000 1.151 450 Y CA -1.329 56.878 58.100 0.179 0.000 1.053 450 Y CB 1.449 39.856 38.460 -0.089 0.000 1.277 450 Y HN 0.643 nan 8.280 nan 0.000 0.432 451 N N 4.817 123.151 118.700 -0.610 0.000 2.437 451 N HA 0.161 4.901 4.740 -0.000 0.000 0.259 451 N C -1.728 173.317 175.510 -0.775 0.000 0.983 451 N CA -0.361 52.401 53.050 -0.480 0.000 0.937 451 N CB 0.568 38.920 38.487 -0.225 0.000 1.122 451 N HN 0.590 nan 8.380 nan 0.000 0.499 452 Y N 1.738 121.712 120.300 -0.544 0.000 2.556 452 Y HA 0.248 4.798 4.550 -0.000 0.000 0.352 452 Y C -0.515 175.299 175.900 -0.142 0.000 1.006 452 Y CA -0.667 57.263 58.100 -0.285 0.000 1.277 452 Y CB 0.186 38.697 38.460 0.084 0.000 1.136 452 Y HN 0.422 nan 8.280 nan 0.000 0.523 453 E N 8.616 128.467 120.200 -0.583 0.000 2.101 453 E HA 0.238 4.588 4.350 -0.000 0.000 0.260 453 E C -2.057 174.156 176.600 -0.644 0.000 0.897 453 E CA -2.004 54.086 56.400 -0.517 0.000 0.744 453 E CB 1.375 30.914 29.700 -0.269 0.000 1.140 453 E HN 0.500 nan 8.360 nan 0.000 0.419 454 P HA -0.270 nan 4.420 nan 0.000 0.216 454 P C 0.538 177.663 177.300 -0.292 0.000 1.154 454 P CA 1.353 64.118 63.100 -0.557 0.000 0.865 454 P CB 0.291 31.782 31.700 -0.348 0.000 0.789 455 E N -0.733 119.333 120.200 -0.222 0.000 2.153 455 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 455 E C 2.007 178.541 176.600 -0.110 0.000 0.988 455 E CA 1.011 57.331 56.400 -0.134 0.000 0.811 455 E CB -1.130 28.507 29.700 -0.105 0.000 0.746 455 E HN 0.300 nan 8.360 nan 0.000 0.466 456 Q N 0.214 119.937 119.800 -0.129 0.000 2.123 456 Q HA 0.042 4.382 4.340 -0.000 0.000 0.199 456 Q C 2.348 178.324 176.000 -0.041 0.000 0.966 456 Q CA 0.865 56.624 55.803 -0.072 0.000 0.845 456 Q CB -0.191 28.508 28.738 -0.065 0.000 0.907 456 Q HN 0.376 nan 8.270 nan 0.000 0.439 457 L N 0.430 121.607 121.223 -0.076 0.000 2.072 457 L HA -0.069 4.271 4.340 -0.000 0.000 0.205 457 L C 0.638 177.496 176.870 -0.020 0.000 1.079 457 L CA 0.398 55.221 54.840 -0.029 0.000 0.752 457 L CB -0.164 41.819 42.059 -0.126 0.000 0.906 457 L HN 0.334 nan 8.230 nan 0.000 0.436 458 N N 1.381 120.037 118.700 -0.073 0.000 2.699 458 N HA -0.197 4.543 4.740 -0.000 0.000 0.257 458 N C -0.043 175.473 175.510 0.010 0.000 1.077 458 N CA 0.542 53.572 53.050 -0.032 0.000 0.702 458 N CB -0.531 37.958 38.487 0.002 0.000 0.886 458 N HN 0.279 nan 8.380 nan 0.000 0.549 459 K N 0.585 120.959 120.400 -0.044 0.000 2.447 459 K HA 0.067 4.387 4.320 -0.000 0.000 0.281 459 K C 0.728 177.387 176.600 0.098 0.000 1.031 459 K CA 0.819 57.160 56.287 0.089 0.000 1.019 459 K CB 0.562 33.067 32.500 0.008 0.000 0.918 459 K HN 0.238 nan 8.250 nan 0.000 0.476 460 T N 2.109 116.743 114.554 0.134 0.000 3.238 460 T HA -0.048 4.302 4.350 -0.000 0.000 0.242 460 T C -0.503 174.249 174.700 0.088 0.000 0.980 460 T CA -0.026 62.127 62.100 0.087 0.000 1.235 460 T CB -0.056 68.855 68.868 0.071 0.000 1.069 460 T HN 0.681 nan 8.240 nan 0.000 0.407 461 D N 2.883 123.340 120.400 0.095 0.000 2.363 461 D HA 0.130 4.770 4.640 -0.000 0.000 0.263 461 D C -1.891 174.461 176.300 0.087 0.000 1.258 461 D CA -1.999 52.045 54.000 0.074 0.000 0.907 461 D CB 1.465 42.299 40.800 0.057 0.000 1.107 461 D HN 0.021 nan 8.370 nan 0.000 0.495 462 P HA -0.109 nan 4.420 nan 0.000 0.221 462 P C 0.331 177.672 177.300 0.067 0.000 1.145 462 P CA 1.001 64.145 63.100 0.074 0.000 0.795 462 P CB 0.236 31.970 31.700 0.055 0.000 0.775 463 E N -1.919 118.311 120.200 0.050 0.000 2.476 463 E HA 0.064 4.414 4.350 -0.000 0.000 0.191 463 E C 0.315 176.921 176.600 0.010 0.000 1.064 463 E CA -0.079 56.343 56.400 0.037 0.000 0.866 463 E CB -0.108 29.611 29.700 0.032 0.000 0.952 463 E HN 0.186 nan 8.360 nan 0.000 0.492 464 M N 1.607 121.207 119.600 0.001 0.000 2.185 464 M HA 0.169 4.649 4.480 -0.000 0.000 0.357 464 M C -0.260 175.891 176.300 -0.248 0.000 1.260 464 M CA 0.006 55.223 55.300 -0.138 0.000 1.124 464 M CB 0.736 33.257 32.600 -0.131 0.000 1.600 464 M HN -0.084 nan 8.290 nan 0.000 0.467 465 N N 3.338 121.764 118.700 -0.456 0.000 2.361 465 N HA 0.408 5.148 4.740 -0.000 0.000 0.302 465 N C -1.618 173.303 175.510 -0.982 0.000 1.074 465 N CA -0.270 52.440 53.050 -0.566 0.000 0.850 465 N CB 1.538 39.680 38.487 -0.576 0.000 1.228 465 N HN 0.400 nan 8.380 nan 0.000 0.491 466 Y N 1.383 121.418 120.300 -0.441 0.000 2.328 466 Y HA 0.386 4.936 4.550 -0.000 0.000 0.333 466 Y C -0.475 175.280 175.900 -0.242 0.000 0.958 466 Y CA -0.670 57.276 58.100 -0.257 0.000 1.167 466 Y CB 0.842 39.280 38.460 -0.038 0.000 1.151 466 Y HN 0.385 nan 8.280 nan 0.000 0.470 467 Y N 3.150 123.529 120.300 0.133 0.000 2.468 467 Y HA 0.635 5.185 4.550 -0.000 0.000 0.342 467 Y C -0.826 175.091 175.900 0.029 0.000 1.021 467 Y CA -1.473 56.623 58.100 -0.007 0.000 1.079 467 Y CB 2.097 40.459 38.460 -0.164 0.000 1.226 467 Y HN 0.401 nan 8.280 nan 0.000 0.460 468 L N 4.043 125.312 121.223 0.076 0.000 2.356 468 L HA 0.643 4.983 4.340 -0.000 0.000 0.277 468 L C -1.713 175.241 176.870 0.141 0.000 0.996 468 L CA -0.702 54.109 54.840 -0.049 0.000 0.822 468 L CB 1.542 43.393 42.059 -0.347 0.000 1.256 468 L HN 0.620 nan 8.230 nan 0.000 0.413 469 L N 4.662 125.999 121.223 0.190 0.000 2.354 469 L HA 0.994 5.334 4.340 -0.000 0.000 0.264 469 L C -1.148 175.711 176.870 -0.019 0.000 1.008 469 L CA -0.244 54.747 54.840 0.251 0.000 0.819 469 L CB 2.220 44.447 42.059 0.280 0.000 1.339 469 L HN 0.725 nan 8.230 nan 0.000 0.420 470 A N 2.358 124.911 122.820 -0.445 0.000 2.457 470 A HA 0.808 5.128 4.320 -0.000 0.000 0.283 470 A C -0.749 176.412 177.584 -0.705 0.000 1.166 470 A CA -0.228 51.340 52.037 -0.783 0.000 0.740 470 A CB 0.756 18.858 19.000 -1.495 0.000 1.181 470 A HN 0.735 nan 8.150 nan 0.000 0.446 471 T N 0.499 114.713 114.554 -0.566 0.000 2.696 471 T HA 0.599 4.949 4.350 -0.000 0.000 0.291 471 T C -0.598 173.826 174.700 -0.459 0.000 1.095 471 T CA -0.504 61.318 62.100 -0.464 0.000 1.026 471 T CB 0.620 69.334 68.868 -0.256 0.000 1.390 471 T HN 0.327 nan 8.240 nan 0.000 0.513 472 F N 1.803 121.620 119.950 -0.223 0.000 2.412 472 F HA 0.539 5.066 4.527 0.000 0.000 0.348 472 F C 0.610 176.387 175.800 -0.040 0.000 1.102 472 F CA -0.616 57.316 58.000 -0.114 0.000 1.196 472 F CB 0.543 39.516 39.000 -0.044 0.000 1.144 472 F HN 0.325 nan 8.300 nan 0.000 0.541 473 I N 0.135 120.809 120.570 0.174 0.000 2.689 473 I HA 0.681 4.851 4.170 -0.000 0.000 0.299 473 I C -1.443 174.885 176.117 0.351 0.000 1.059 473 I CA -0.703 60.720 61.300 0.205 0.000 1.055 473 I CB 2.328 40.226 38.000 -0.169 0.000 1.243 473 I HN 0.368 nan 8.210 nan 0.000 0.425 474 D N 2.120 122.854 120.400 0.555 0.000 2.602 474 D HA 0.235 4.875 4.640 -0.000 0.000 0.236 474 D C 0.371 176.967 176.300 0.493 0.000 1.209 474 D CA -0.252 54.059 54.000 0.519 0.000 0.831 474 D CB 2.691 43.713 40.800 0.371 0.000 1.478 474 D HN 0.713 nan 8.370 nan 0.000 0.438 475 S N 0.020 115.875 115.700 0.258 0.000 2.522 475 S HA 0.277 4.747 4.470 -0.000 0.000 0.227 475 S C 0.749 175.351 174.600 0.003 0.000 0.986 475 S CA 0.076 58.293 58.200 0.027 0.000 0.929 475 S CB 0.221 63.360 63.200 -0.102 0.000 0.769 475 S HN 0.529 nan 8.310 nan 0.000 0.529 476 A N 1.101 123.902 122.820 -0.033 0.000 2.342 476 A HA 0.835 5.155 4.320 -0.000 0.000 0.323 476 A C 0.224 177.613 177.584 -0.326 0.000 1.125 476 A CA -0.508 51.400 52.037 -0.215 0.000 0.785 476 A CB 0.846 19.794 19.000 -0.085 0.000 1.221 476 A HN 0.725 nan 8.150 nan 0.000 0.463 477 A N 2.086 124.515 122.820 -0.652 0.000 2.598 477 A HA 0.324 4.644 4.320 -0.000 0.000 0.239 477 A C 0.153 177.717 177.584 -0.032 0.000 1.032 477 A CA 0.442 52.269 52.037 -0.350 0.000 0.760 477 A CB -0.564 18.320 19.000 -0.194 0.000 0.946 477 A HN 0.723 nan 8.150 nan 0.000 0.512 478 I N 3.077 123.695 120.570 0.081 0.000 2.322 478 I HA 0.067 4.237 4.170 -0.000 0.000 0.292 478 I C 0.543 176.681 176.117 0.036 0.000 1.060 478 I CA -0.099 61.257 61.300 0.094 0.000 1.309 478 I CB 0.567 38.599 38.000 0.053 0.000 1.415 478 I HN 0.582 nan 8.210 nan 0.000 0.492 479 T N 9.045 123.632 114.554 0.055 0.000 2.758 479 T HA 0.018 4.368 4.350 -0.000 0.000 0.281 479 T C -1.377 173.319 174.700 -0.006 0.000 0.963 479 T CA -0.592 61.528 62.100 0.033 0.000 1.201 479 T CB 0.449 69.350 68.868 0.056 0.000 0.906 479 T HN 0.438 nan 8.240 nan 0.000 0.528 480 P HA -0.150 nan 4.420 nan 0.000 0.217 480 P C 1.721 179.004 177.300 -0.029 0.000 1.148 480 P CA 1.115 64.198 63.100 -0.028 0.000 0.834 480 P CB -0.016 31.682 31.700 -0.004 0.000 0.783 481 T N -5.819 108.731 114.554 -0.006 0.000 3.100 481 T HA 0.092 4.442 4.350 -0.000 0.000 0.253 481 T C 1.511 176.218 174.700 0.011 0.000 1.118 481 T CA 0.451 62.553 62.100 0.002 0.000 1.058 481 T CB -0.579 68.297 68.868 0.014 0.000 0.953 481 T HN -0.056 nan 8.240 nan 0.000 0.515 482 N N 0.690 119.400 118.700 0.017 0.000 2.245 482 N HA 0.223 4.963 4.740 -0.000 0.000 0.185 482 N C 0.526 176.037 175.510 0.002 0.000 1.036 482 N CA 0.614 53.711 53.050 0.078 0.000 0.857 482 N CB -0.076 38.526 38.487 0.191 0.000 1.015 482 N HN 0.300 nan 8.380 nan 0.000 0.436 483 M N 2.059 121.513 119.600 -0.244 0.000 2.055 483 M HA 0.182 4.662 4.480 -0.000 0.000 0.346 483 M C 0.223 176.336 176.300 -0.312 0.000 1.074 483 M CA 0.106 55.038 55.300 -0.613 0.000 1.009 483 M CB 0.121 31.740 32.600 -1.635 0.000 1.423 483 M HN 0.215 nan 8.290 nan 0.000 0.410 484 T N 0.553 115.014 114.554 -0.155 0.000 3.060 484 T HA 0.183 4.533 4.350 -0.000 0.000 0.249 484 T C 0.686 175.373 174.700 -0.022 0.000 1.079 484 T CA -0.015 62.044 62.100 -0.067 0.000 1.013 484 T CB 0.209 69.061 68.868 -0.027 0.000 0.975 484 T HN 0.576 nan 8.240 nan 0.000 0.518 485 Q N 2.234 122.040 119.800 0.009 0.000 2.386 485 Q HA 0.134 4.474 4.340 -0.000 0.000 0.282 485 Q C -1.658 174.388 176.000 0.077 0.000 1.050 485 Q CA -1.268 54.592 55.803 0.094 0.000 0.918 485 Q CB 1.017 29.909 28.738 0.257 0.000 1.266 485 Q HN 0.241 nan 8.270 nan 0.000 0.423 486 P HA -0.074 nan 4.420 nan 0.000 0.224 486 P C -0.742 176.619 177.300 0.103 0.000 1.157 486 P CA 1.079 64.231 63.100 0.086 0.000 0.799 486 P CB 0.529 32.285 31.700 0.093 0.000 0.809 487 D N -3.422 117.042 120.400 0.108 0.000 2.809 487 D HA 0.109 4.749 4.640 -0.000 0.000 0.336 487 D C -0.572 175.715 176.300 -0.022 0.000 1.367 487 D CA -0.728 53.280 54.000 0.014 0.000 0.815 487 D CB 0.301 41.174 40.800 0.120 0.000 1.381 487 D HN -0.189 nan 8.370 nan 0.000 0.471 488 V N -2.686 117.048 119.914 -0.300 0.000 2.933 488 V HA 0.428 4.548 4.120 -0.000 0.000 0.374 488 V C -0.078 175.927 176.094 -0.149 0.000 1.321 488 V CA -0.623 61.462 62.300 -0.359 0.000 1.290 488 V CB -0.730 30.519 31.823 -0.958 0.000 1.346 488 V HN 0.633 nan 8.190 nan 0.000 0.560 489 W N 0.120 121.453 121.300 0.056 0.000 2.800 489 W HA 0.205 4.865 4.660 -0.000 0.000 0.249 489 W C 1.167 177.756 176.519 0.116 0.000 1.294 489 W CA 0.037 57.429 57.345 0.079 0.000 1.402 489 W CB 0.403 29.898 29.460 0.058 0.000 1.126 489 W HN 0.403 nan 8.180 nan 0.000 0.652 490 D N 1.042 121.661 120.400 0.364 0.000 2.545 490 D HA 0.365 5.005 4.640 -0.000 0.000 0.227 490 D C -0.159 176.299 176.300 0.263 0.000 1.150 490 D CA 0.299 54.447 54.000 0.248 0.000 1.046 490 D CB -0.355 40.515 40.800 0.117 0.000 1.098 490 D HN 0.008 nan 8.370 nan 0.000 0.502 491 A N 2.108 125.084 122.820 0.260 0.000 2.557 491 A HA 0.563 4.883 4.320 -0.000 0.000 0.292 491 A C -1.706 176.014 177.584 0.226 0.000 1.139 491 A CA -0.888 51.278 52.037 0.215 0.000 0.665 491 A CB 0.671 19.771 19.000 0.166 0.000 1.285 491 A HN 0.350 nan 8.150 nan 0.000 0.433 492 L N 0.785 122.121 121.223 0.188 0.000 2.260 492 L HA 0.699 5.039 4.340 -0.000 0.000 0.289 492 L C -0.890 176.127 176.870 0.245 0.000 1.057 492 L CA -0.359 54.596 54.840 0.191 0.000 0.811 492 L CB 0.788 42.927 42.059 0.132 0.000 1.184 492 L HN 0.697 nan 8.230 nan 0.000 0.429 493 L N 5.032 126.451 121.223 0.327 0.000 2.307 493 L HA 0.644 4.984 4.340 -0.000 0.000 0.284 493 L C -0.473 176.601 176.870 0.340 0.000 1.023 493 L CA 0.307 55.393 54.840 0.410 0.000 0.810 493 L CB 1.813 44.217 42.059 0.574 0.000 1.231 493 L HN 0.667 nan 8.230 nan 0.000 0.423 494 T N 6.555 121.269 114.554 0.267 0.000 2.791 494 T HA 0.534 4.884 4.350 -0.000 0.000 0.288 494 T C -0.170 174.592 174.700 0.104 0.000 0.999 494 T CA -0.268 61.929 62.100 0.161 0.000 0.952 494 T CB 0.771 69.698 68.868 0.098 0.000 0.938 494 T HN 0.557 nan 8.240 nan 0.000 0.444 495 M N 2.517 122.150 119.600 0.054 0.000 2.300 495 M HA 0.493 4.973 4.480 -0.000 0.000 0.348 495 M C -0.330 175.893 176.300 -0.129 0.000 1.151 495 M CA -0.470 54.731 55.300 -0.166 0.000 1.046 495 M CB 1.621 34.065 32.600 -0.260 0.000 1.647 495 M HN 0.443 nan 8.290 nan 0.000 0.451 496 S N 3.543 119.136 115.700 -0.180 0.000 2.672 496 S HA 0.504 4.974 4.470 -0.000 0.000 0.291 496 S C -2.617 171.900 174.600 -0.138 0.000 1.145 496 S CA -1.245 56.885 58.200 -0.117 0.000 1.013 496 S CB 1.613 64.769 63.200 -0.072 0.000 1.017 496 S HN 0.360 nan 8.310 nan 0.000 0.487 497 P HA 0.185 nan 4.420 nan 0.000 0.268 497 P C -0.379 176.874 177.300 -0.078 0.000 1.205 497 P CA -0.142 62.899 63.100 -0.098 0.000 0.771 497 P CB 0.409 32.065 31.700 -0.073 0.000 0.858 498 L N 1.812 122.990 121.223 -0.074 0.000 3.034 498 L HA 0.346 4.686 4.340 -0.000 0.000 0.245 498 L C 0.414 177.249 176.870 -0.059 0.000 1.295 498 L CA 0.228 55.028 54.840 -0.067 0.000 1.068 498 L CB -0.060 41.952 42.059 -0.079 0.000 1.426 498 L HN 0.384 nan 8.230 nan 0.000 0.531 499 S N -0.540 115.130 115.700 -0.050 0.000 2.606 499 S HA 0.555 5.025 4.470 -0.000 0.000 0.290 499 S C -0.499 174.082 174.600 -0.031 0.000 1.103 499 S CA 0.074 58.251 58.200 -0.039 0.000 0.870 499 S CB 1.532 64.709 63.200 -0.038 0.000 1.077 499 S HN 0.114 nan 8.310 nan 0.000 0.448 500 A N 2.363 125.167 122.820 -0.026 0.000 2.594 500 A HA 0.623 4.943 4.320 -0.000 0.000 0.287 500 A C 1.098 178.677 177.584 -0.009 0.000 1.227 500 A CA 0.394 52.418 52.037 -0.022 0.000 0.952 500 A CB -0.360 18.623 19.000 -0.028 0.000 1.161 500 A HN 1.245 nan 8.150 nan 0.000 0.524 501 G N -0.779 108.019 108.800 -0.003 0.000 3.228 501 G HA2 0.344 4.304 3.960 -0.000 0.000 0.245 501 G HA3 0.344 4.304 3.960 -0.000 0.000 0.245 501 G C 0.082 174.995 174.900 0.021 0.000 1.051 501 G CA -0.054 45.051 45.100 0.009 0.000 0.809 501 G HN 0.437 nan 8.290 nan 0.000 0.531 502 E N -0.063 120.148 120.200 0.019 0.000 2.238 502 E HA 0.611 4.961 4.350 -0.000 0.000 0.267 502 E C -1.385 175.240 176.600 0.041 0.000 0.887 502 E CA -0.648 55.768 56.400 0.027 0.000 0.769 502 E CB 3.278 32.986 29.700 0.013 0.000 1.187 502 E HN -0.074 nan 8.360 nan 0.000 0.416 503 V N 1.465 121.415 119.914 0.059 0.000 2.876 503 V HA 0.478 4.598 4.120 -0.000 0.000 0.312 503 V C -0.086 176.044 176.094 0.061 0.000 1.085 503 V CA -0.658 61.690 62.300 0.080 0.000 0.945 503 V CB 2.217 34.127 31.823 0.146 0.000 1.017 503 V HN 0.923 nan 8.190 nan 0.000 0.428 504 T N 0.606 115.197 114.554 0.062 0.000 2.930 504 T HA 0.839 5.189 4.350 -0.000 0.000 0.290 504 T C -1.067 173.688 174.700 0.091 0.000 1.052 504 T CA -0.798 61.338 62.100 0.059 0.000 1.017 504 T CB 1.962 70.852 68.868 0.038 0.000 1.137 504 T HN 0.386 nan 8.240 nan 0.000 0.511 505 V N 2.303 122.274 119.914 0.094 0.000 2.447 505 V HA 0.492 4.612 4.120 -0.000 0.000 0.292 505 V C -0.101 176.062 176.094 0.116 0.000 1.021 505 V CA -1.060 61.323 62.300 0.138 0.000 0.850 505 V CB 1.034 32.915 31.823 0.096 0.000 1.005 505 V HN 1.074 nan 8.190 nan 0.000 0.426 506 K N 3.891 124.393 120.400 0.170 0.000 3.150 506 K HA -0.242 4.078 4.320 -0.000 0.000 0.267 506 K C 1.092 177.778 176.600 0.142 0.000 1.028 506 K CA 0.728 57.086 56.287 0.118 0.000 0.753 506 K CB -1.333 31.146 32.500 -0.036 0.000 1.288 506 K HN 1.549 nan 8.250 nan 0.000 0.473 507 G N -1.801 107.105 108.800 0.178 0.000 2.254 507 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.225 507 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.225 507 G C 0.021 174.985 174.900 0.106 0.000 1.003 507 G CA 0.137 45.361 45.100 0.208 0.000 0.622 507 G HN 1.012 nan 8.290 nan 0.000 0.507 508 A N -0.091 122.776 122.820 0.079 0.000 2.401 508 A HA 0.852 5.172 4.320 -0.000 0.000 0.310 508 A C 0.167 177.779 177.584 0.047 0.000 1.075 508 A CA 0.018 52.090 52.037 0.058 0.000 0.746 508 A CB 1.924 20.958 19.000 0.057 0.000 1.277 508 A HN 1.261 nan 8.150 nan 0.000 0.425 509 V N 1.190 121.129 119.914 0.041 0.000 2.872 509 V HA 0.364 4.484 4.120 -0.000 0.000 0.307 509 V C 0.417 176.530 176.094 0.033 0.000 1.072 509 V CA 0.319 62.641 62.300 0.037 0.000 1.148 509 V CB 0.852 32.698 31.823 0.038 0.000 0.954 509 V HN 1.168 nan 8.190 nan 0.000 0.490 510 V N 1.125 121.057 119.914 0.029 0.000 2.841 510 V HA 0.557 4.677 4.120 -0.000 0.000 0.310 510 V C 0.568 176.672 176.094 0.017 0.000 1.090 510 V CA 0.121 62.432 62.300 0.018 0.000 0.930 510 V CB 1.665 33.494 31.823 0.009 0.000 1.014 510 V HN 0.858 nan 8.190 nan 0.000 0.425 511 S N 1.494 117.201 115.700 0.012 0.000 2.489 511 S HA 0.149 4.619 4.470 -0.000 0.000 0.228 511 S C 0.386 174.992 174.600 0.010 0.000 0.995 511 S CA 0.682 58.890 58.200 0.013 0.000 0.934 511 S CB -0.587 62.620 63.200 0.011 0.000 0.771 511 S HN 1.180 nan 8.310 nan 0.000 0.522 512 E N -0.559 119.637 120.200 -0.006 0.000 2.407 512 E HA 0.626 4.976 4.350 -0.000 0.000 0.279 512 E C -1.782 174.773 176.600 -0.076 0.000 1.012 512 E CA -1.221 55.164 56.400 -0.025 0.000 0.800 512 E CB 1.712 31.402 29.700 -0.017 0.000 1.276 512 E HN -0.006 nan 8.360 nan 0.000 0.452 513 V N 0.660 120.482 119.914 -0.154 0.000 2.864 513 V HA 0.425 4.545 4.120 -0.000 0.000 0.314 513 V C -0.505 175.439 176.094 -0.250 0.000 1.073 513 V CA -0.964 61.169 62.300 -0.278 0.000 0.956 513 V CB 1.942 33.374 31.823 -0.652 0.000 1.023 513 V HN 0.605 nan 8.190 nan 0.000 0.435 514 V N 4.807 124.603 119.914 -0.198 0.000 2.250 514 V HA 0.231 4.351 4.120 -0.000 0.000 0.268 514 V C -1.601 174.417 176.094 -0.125 0.000 1.043 514 V CA -1.315 60.914 62.300 -0.118 0.000 0.814 514 V CB 0.939 32.728 31.823 -0.055 0.000 1.072 514 V HN 0.739 nan 8.190 nan 0.000 0.451 515 P HA -0.314 nan 4.420 nan 0.000 0.219 515 P C 1.730 179.055 177.300 0.042 0.000 1.161 515 P CA 2.397 65.465 63.100 -0.052 0.000 0.909 515 P CB 0.275 32.049 31.700 0.122 0.000 0.793 516 A N -0.451 122.421 122.820 0.088 0.000 2.024 516 A HA -0.214 4.106 4.320 -0.000 0.000 0.220 516 A C 1.982 179.604 177.584 0.063 0.000 1.164 516 A CA 1.547 53.657 52.037 0.120 0.000 0.643 516 A CB -0.917 18.154 19.000 0.118 0.000 0.806 516 A HN 0.157 nan 8.150 nan 0.000 0.451 517 E N -0.220 119.997 120.200 0.028 0.000 2.435 517 E HA 0.039 4.389 4.350 -0.000 0.000 0.195 517 E C 1.733 178.354 176.600 0.034 0.000 1.029 517 E CA 0.205 56.619 56.400 0.023 0.000 0.865 517 E CB -0.182 29.523 29.700 0.007 0.000 0.833 517 E HN 0.685 nan 8.360 nan 0.000 0.510 518 L N 0.619 121.859 121.223 0.028 0.000 2.179 518 L HA -0.019 4.321 4.340 -0.000 0.000 0.208 518 L C 0.846 177.744 176.870 0.047 0.000 1.096 518 L CA 0.163 55.043 54.840 0.066 0.000 0.779 518 L CB -0.087 41.978 42.059 0.009 0.000 0.922 518 L HN 0.046 nan 8.230 nan 0.000 0.443 519 I N 1.652 122.212 120.570 -0.017 0.000 2.906 519 I HA -0.094 4.076 4.170 -0.000 0.000 0.301 519 I C 1.564 177.688 176.117 0.013 0.000 1.221 519 I CA 1.039 62.308 61.300 -0.051 0.000 1.435 519 I CB -0.865 37.115 38.000 -0.033 0.000 1.345 519 I HN 0.417 nan 8.210 nan 0.000 0.558 520 G N 5.026 113.833 108.800 0.012 0.000 2.258 520 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.274 520 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.274 520 G C 0.722 175.664 174.900 0.071 0.000 1.021 520 G CA 0.776 45.901 45.100 0.042 0.000 0.798 520 G HN 0.854 nan 8.290 nan 0.000 0.507 521 S N -1.918 113.861 115.700 0.131 0.000 2.578 521 S HA 0.524 4.994 4.470 -0.000 0.000 0.231 521 S C 0.192 174.834 174.600 0.071 0.000 0.994 521 S CA -0.428 57.829 58.200 0.095 0.000 0.956 521 S CB 0.463 63.704 63.200 0.069 0.000 0.870 521 S HN 0.365 nan 8.310 nan 0.000 0.494 522 Y N 2.823 123.118 120.300 -0.008 0.000 2.364 522 Y HA 0.551 5.101 4.550 -0.000 0.000 0.340 522 Y C 0.837 176.738 175.900 0.001 0.000 0.975 522 Y CA -0.978 57.122 58.100 0.001 0.000 1.089 522 Y CB 1.676 40.138 38.460 0.004 0.000 1.192 522 Y HN 0.212 nan 8.280 nan 0.000 0.454 523 T N 0.061 114.678 114.554 0.106 0.000 2.902 523 T HA 0.300 4.650 4.350 -0.000 0.000 0.280 523 T C -2.121 172.638 174.700 0.098 0.000 0.992 523 T CA -2.108 60.035 62.100 0.071 0.000 1.015 523 T CB 1.664 70.547 68.868 0.025 0.000 1.044 523 T HN 0.284 nan 8.240 nan 0.000 0.520 524 P HA -0.056 nan 4.420 nan 0.000 0.216 524 P C 1.262 178.603 177.300 0.068 0.000 1.150 524 P CA 0.982 64.119 63.100 0.062 0.000 0.837 524 P CB 0.071 31.794 31.700 0.037 0.000 0.786 525 E N -0.720 119.510 120.200 0.051 0.000 2.038 525 E HA -0.137 4.213 4.350 -0.000 0.000 0.195 525 E C 2.181 178.823 176.600 0.070 0.000 1.000 525 E CA 1.633 58.059 56.400 0.044 0.000 0.803 525 E CB -1.036 28.673 29.700 0.015 0.000 0.750 525 E HN 0.117 nan 8.360 nan 0.000 0.448 526 S N 0.329 116.074 115.700 0.074 0.000 2.368 526 S HA -0.131 4.339 4.470 -0.000 0.000 0.225 526 S C 1.818 176.561 174.600 0.237 0.000 1.030 526 S CA 0.844 59.103 58.200 0.099 0.000 0.999 526 S CB -0.277 62.924 63.200 0.001 0.000 0.844 526 S HN 0.145 nan 8.310 nan 0.000 0.459 527 L N 2.899 124.290 121.223 0.279 0.000 2.017 527 L HA -0.039 4.301 4.340 -0.000 0.000 0.208 527 L C 2.000 178.980 176.870 0.184 0.000 1.073 527 L CA 1.699 56.695 54.840 0.261 0.000 0.745 527 L CB -0.852 41.289 42.059 0.138 0.000 0.894 527 L HN 0.289 nan 8.230 nan 0.000 0.432 528 N N -0.311 118.475 118.700 0.144 0.000 2.205 528 N HA -0.181 4.559 4.740 -0.000 0.000 0.186 528 N C 1.544 177.205 175.510 0.252 0.000 1.015 528 N CA 1.353 54.484 53.050 0.134 0.000 0.862 528 N CB 0.094 38.635 38.487 0.090 0.000 0.986 528 N HN 0.506 nan 8.380 nan 0.000 0.429 529 A N 0.486 123.466 122.820 0.266 0.000 2.178 529 A HA 0.076 4.396 4.320 -0.000 0.000 0.211 529 A C 1.040 178.926 177.584 0.504 0.000 1.157 529 A CA 0.185 52.435 52.037 0.354 0.000 0.780 529 A CB -0.317 18.760 19.000 0.129 0.000 0.828 529 A HN 0.466 nan 8.150 nan 0.000 0.476 530 S N -0.168 115.773 115.700 0.401 0.000 2.576 530 S HA 0.436 4.906 4.470 -0.000 0.000 0.272 530 S C 0.132 174.928 174.600 0.327 0.000 1.352 530 S CA -0.515 57.902 58.200 0.362 0.000 1.021 530 S CB 0.177 63.561 63.200 0.306 0.000 0.887 530 S HN 0.301 nan 8.310 nan 0.000 0.542 531 L N 1.788 123.087 121.223 0.128 0.000 2.453 531 L HA 0.289 4.629 4.340 -0.000 0.000 0.261 531 L C -1.436 175.454 176.870 0.033 0.000 1.179 531 L CA -2.116 52.688 54.840 -0.061 0.000 0.813 531 L CB 0.144 42.045 42.059 -0.264 0.000 1.110 531 L HN 0.464 nan 8.230 nan 0.000 0.466 532 P HA -0.138 nan 4.420 nan 0.000 0.221 532 P C 0.097 177.384 177.300 -0.021 0.000 1.145 532 P CA 1.103 64.200 63.100 -0.006 0.000 0.795 532 P CB -0.039 31.634 31.700 -0.044 0.000 0.775 533 N N -1.798 116.884 118.700 -0.030 0.000 2.320 533 N HA 0.021 4.761 4.740 -0.000 0.000 0.237 533 N C -0.253 175.275 175.510 0.029 0.000 1.129 533 N CA -0.207 52.837 53.050 -0.009 0.000 0.854 533 N CB -0.751 37.723 38.487 -0.022 0.000 1.083 533 N HN -0.000 nan 8.380 nan 0.000 0.504 534 D N 0.235 120.661 120.400 0.043 0.000 2.345 534 D HA 0.198 4.838 4.640 -0.000 0.000 0.247 534 D C 0.930 177.284 176.300 0.091 0.000 1.108 534 D CA -0.075 53.975 54.000 0.083 0.000 0.894 534 D CB 1.675 42.541 40.800 0.110 0.000 1.203 534 D HN 0.229 nan 8.370 nan 0.000 0.430 535 A N 4.017 126.918 122.820 0.135 0.000 1.940 535 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 535 A C 2.097 179.770 177.584 0.149 0.000 1.176 535 A CA 2.134 54.304 52.037 0.221 0.000 0.631 535 A CB -0.615 18.453 19.000 0.114 0.000 0.814 535 A HN 0.686 nan 8.150 nan 0.000 0.446 536 A N -0.007 122.767 122.820 -0.078 0.000 1.865 536 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 536 A C 2.217 179.701 177.584 -0.167 0.000 1.191 536 A CA 1.697 53.547 52.037 -0.312 0.000 0.623 536 A CB -0.580 17.835 19.000 -0.975 0.000 0.826 536 A HN 0.560 nan 8.150 nan 0.000 0.444 537 R N -1.226 119.201 120.500 -0.122 0.000 2.103 537 R HA -0.215 4.125 4.340 -0.000 0.000 0.242 537 R C 2.382 178.644 176.300 -0.063 0.000 1.142 537 R CA 1.574 57.626 56.100 -0.080 0.000 0.960 537 R CB -1.034 29.240 30.300 -0.044 0.000 0.858 537 R HN 0.699 nan 8.270 nan 0.000 0.439 538 C N 0.432 119.713 119.300 -0.031 0.000 2.453 538 C HA -0.053 4.407 4.460 -0.000 0.000 0.277 538 C C 2.655 177.567 174.990 -0.130 0.000 1.262 538 C CA 0.725 59.686 59.018 -0.096 0.000 1.718 538 C CB -0.649 27.029 27.740 -0.103 0.000 2.031 538 C HN 0.504 nan 8.230 nan 0.000 0.480 539 M N 1.052 120.660 119.600 0.013 0.000 2.106 539 M HA -0.107 4.373 4.480 -0.000 0.000 0.259 539 M C 1.729 178.007 176.300 -0.037 0.000 1.068 539 M CA 2.050 57.389 55.300 0.065 0.000 1.100 539 M CB -0.782 31.897 32.600 0.132 0.000 1.351 539 M HN 0.453 nan 8.290 nan 0.000 0.404 540 I N -0.211 120.317 120.570 -0.071 0.000 2.226 540 I HA -0.293 3.877 4.170 -0.000 0.000 0.245 540 I C 1.627 177.711 176.117 -0.055 0.000 1.100 540 I CA 1.319 62.575 61.300 -0.074 0.000 1.374 540 I CB -0.825 37.120 38.000 -0.092 0.000 1.057 540 I HN 0.277 nan 8.210 nan 0.000 0.413 541 D N 0.504 120.864 120.400 -0.068 0.000 2.224 541 D HA -0.087 4.553 4.640 -0.000 0.000 0.205 541 D C 2.324 178.596 176.300 -0.047 0.000 0.965 541 D CA 0.887 54.849 54.000 -0.064 0.000 0.852 541 D CB -0.081 40.672 40.800 -0.078 0.000 0.947 541 D HN 0.296 nan 8.370 nan 0.000 0.494 542 R N 0.466 120.936 120.500 -0.050 0.000 2.075 542 R HA 0.095 4.435 4.340 -0.000 0.000 0.226 542 R C 2.257 178.611 176.300 0.090 0.000 1.114 542 R CA 0.954 57.046 56.100 -0.014 0.000 0.972 542 R CB -0.106 30.159 30.300 -0.059 0.000 0.869 542 R HN 0.041 nan 8.270 nan 0.000 0.437 543 A N 1.061 123.962 122.820 0.135 0.000 1.933 543 A HA -0.181 4.138 4.320 -0.000 0.000 0.218 543 A C 2.113 179.861 177.584 0.273 0.000 1.175 543 A CA 1.941 54.166 52.037 0.314 0.000 0.628 543 A CB -0.557 18.581 19.000 0.231 0.000 0.814 543 A HN 0.444 nan 8.150 nan 0.000 0.444 544 S N -0.134 115.606 115.700 0.067 0.000 2.442 544 S HA -0.139 4.331 4.470 -0.000 0.000 0.236 544 S C 1.660 176.257 174.600 -0.006 0.000 1.007 544 S CA 1.409 59.581 58.200 -0.047 0.000 0.965 544 S CB -0.295 62.855 63.200 -0.083 0.000 0.773 544 S HN 0.634 nan 8.310 nan 0.000 0.504 545 K N 0.453 120.881 120.400 0.046 0.000 2.155 545 K HA 0.150 4.470 4.320 -0.000 0.000 0.203 545 K C 1.759 178.407 176.600 0.080 0.000 1.052 545 K CA 0.832 57.143 56.287 0.040 0.000 0.948 545 K CB -0.168 32.353 32.500 0.035 0.000 0.728 545 K HN 0.338 nan 8.250 nan 0.000 0.448 546 I N 1.078 121.748 120.570 0.168 0.000 2.286 546 I HA -0.165 4.005 4.170 -0.000 0.000 0.245 546 I C 2.462 178.719 176.117 0.234 0.000 1.104 546 I CA 1.097 62.534 61.300 0.228 0.000 1.397 546 I CB -1.264 36.962 38.000 0.378 0.000 1.072 546 I HN 0.063 nan 8.210 nan 0.000 0.417 547 A N 0.499 123.432 122.820 0.188 0.000 1.908 547 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 547 A C 2.359 179.934 177.584 -0.015 0.000 1.181 547 A CA 1.968 53.992 52.037 -0.022 0.000 0.627 547 A CB -0.742 17.955 19.000 -0.505 0.000 0.818 547 A HN 0.503 nan 8.150 nan 0.000 0.445 548 E N -0.291 119.896 120.200 -0.021 0.000 2.077 548 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 548 E C 2.141 178.745 176.600 0.007 0.000 0.989 548 E CA 1.015 57.404 56.400 -0.019 0.000 0.800 548 E CB -0.246 29.441 29.700 -0.021 0.000 0.746 548 E HN 0.561 nan 8.360 nan 0.000 0.452 549 A N 1.066 123.905 122.820 0.031 0.000 1.858 549 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 549 A C 2.161 179.768 177.584 0.038 0.000 1.190 549 A CA 1.381 53.438 52.037 0.033 0.000 0.617 549 A CB -0.664 18.363 19.000 0.044 0.000 0.827 549 A HN 0.321 nan 8.150 nan 0.000 0.443 550 I N -0.742 119.867 120.570 0.065 0.000 2.264 550 I HA -0.255 3.915 4.170 -0.000 0.000 0.248 550 I C 2.492 178.633 176.117 0.040 0.000 1.111 550 I CA 1.853 63.193 61.300 0.067 0.000 1.382 550 I CB -0.209 37.864 38.000 0.121 0.000 1.060 550 I HN 0.226 nan 8.210 nan 0.000 0.418 551 K N 1.524 121.939 120.400 0.026 0.000 2.155 551 K HA -0.034 4.286 4.320 -0.000 0.000 0.203 551 K C 1.826 178.425 176.600 -0.001 0.000 1.052 551 K CA 1.226 57.517 56.287 0.006 0.000 0.948 551 K CB -0.250 32.243 32.500 -0.012 0.000 0.728 551 K HN 0.266 nan 8.250 nan 0.000 0.448 552 I N 0.651 121.222 120.570 0.001 0.000 2.361 552 I HA -0.231 3.939 4.170 -0.000 0.000 0.251 552 I C 2.097 178.212 176.117 -0.002 0.000 1.133 552 I CA 1.652 62.949 61.300 -0.004 0.000 1.413 552 I CB -0.206 37.792 38.000 -0.003 0.000 1.073 552 I HN 0.364 nan 8.210 nan 0.000 0.424 553 D N -0.071 120.332 120.400 0.004 0.000 2.338 553 D HA -0.089 4.551 4.640 -0.000 0.000 0.208 553 D C 0.500 176.801 176.300 0.002 0.000 0.997 553 D CA 0.389 54.392 54.000 0.004 0.000 0.880 553 D CB 0.401 41.206 40.800 0.009 0.000 0.980 553 D HN 0.119 nan 8.370 nan 0.000 0.509 554 D N 1.239 121.642 120.400 0.005 0.000 2.274 554 D HA 0.064 4.704 4.640 -0.000 0.000 0.239 554 D C -0.481 175.814 176.300 -0.009 0.000 1.104 554 D CA -0.250 53.751 54.000 0.001 0.000 0.840 554 D CB 1.402 42.210 40.800 0.015 0.000 1.100 554 D HN 0.166 nan 8.370 nan 0.000 0.477 555 D N 1.632 122.019 120.400 -0.021 0.000 2.670 555 D HA 0.184 4.824 4.640 -0.000 0.000 0.255 555 D C 0.123 176.400 176.300 -0.038 0.000 1.286 555 D CA -0.541 53.443 54.000 -0.027 0.000 0.830 555 D CB 0.020 40.803 40.800 -0.028 0.000 1.065 555 D HN 0.199 nan 8.370 nan 0.000 0.486 556 A N 0.230 123.026 122.820 -0.040 0.000 2.440 556 A HA 0.589 4.909 4.320 -0.000 0.000 0.251 556 A C 0.975 178.535 177.584 -0.040 0.000 1.089 556 A CA 0.077 52.079 52.037 -0.058 0.000 0.779 556 A CB 0.392 19.358 19.000 -0.057 0.000 1.022 556 A HN 0.320 nan 8.150 nan 0.000 0.492 557 G N 1.168 109.939 108.800 -0.048 0.000 2.532 557 G HA2 0.554 4.514 3.960 -0.000 0.000 0.291 557 G HA3 0.554 4.514 3.960 -0.000 0.000 0.291 557 G C -2.766 172.120 174.900 -0.023 0.000 1.349 557 G CA -1.583 43.498 45.100 -0.031 0.000 1.038 557 G HN 0.542 nan 8.290 nan 0.000 0.518 558 P HA 0.160 nan 4.420 nan 0.000 0.262 558 P C -0.531 176.769 177.300 -0.001 0.000 1.182 558 P CA 0.488 63.586 63.100 -0.003 0.000 0.761 558 P CB 0.484 32.183 31.700 -0.002 0.000 0.795 559 D N 0.050 120.456 120.400 0.009 0.000 3.059 559 D HA -0.178 4.462 4.640 -0.000 0.000 0.213 559 D C -0.329 175.985 176.300 0.022 0.000 1.144 559 D CA 1.279 55.291 54.000 0.020 0.000 0.975 559 D CB -1.205 39.607 40.800 0.020 0.000 1.125 559 D HN 0.574 nan 8.370 nan 0.000 0.412 560 E N 0.196 120.389 120.200 -0.011 0.000 2.227 560 E HA 0.321 4.671 4.350 -0.000 0.000 0.282 560 E C 0.532 177.099 176.600 -0.055 0.000 1.015 560 E CA -0.841 55.518 56.400 -0.068 0.000 0.823 560 E CB 0.716 30.331 29.700 -0.143 0.000 1.081 560 E HN 0.329 nan 8.360 nan 0.000 0.396 561 Y N 1.274 121.577 120.300 0.005 0.000 2.335 561 Y HA 0.372 4.922 4.550 -0.000 0.000 0.348 561 Y C 0.275 176.179 175.900 0.006 0.000 1.280 561 Y CA -0.647 57.455 58.100 0.005 0.000 1.504 561 Y CB 0.576 39.036 38.460 0.001 0.000 1.366 561 Y HN 0.453 nan 8.280 nan 0.000 0.621 562 S N -1.205 114.632 115.700 0.229 0.000 2.615 562 S HA 0.371 4.841 4.470 -0.000 0.000 0.268 562 S C -2.818 171.874 174.600 0.153 0.000 1.146 562 S CA -1.230 57.044 58.200 0.122 0.000 0.818 562 S CB 1.478 64.692 63.200 0.023 0.000 1.111 562 S HN 0.343 nan 8.310 nan 0.000 0.465 563 P HA 0.057 nan 4.420 nan 0.000 0.225 563 P C 0.513 177.841 177.300 0.046 0.000 1.148 563 P CA 0.928 64.070 63.100 0.071 0.000 0.779 563 P CB -0.105 31.625 31.700 0.050 0.000 0.780 564 N N -1.810 116.919 118.700 0.048 0.000 2.236 564 N HA 0.022 4.762 4.740 -0.000 0.000 0.196 564 N C 1.288 176.823 175.510 0.042 0.000 1.114 564 N CA 0.618 53.690 53.050 0.038 0.000 0.859 564 N CB 0.198 38.712 38.487 0.047 0.000 0.982 564 N HN 0.234 nan 8.380 nan 0.000 0.493 565 S N -0.249 115.485 115.700 0.057 0.000 2.545 565 S HA -0.021 4.449 4.470 -0.000 0.000 0.232 565 S C 2.064 176.689 174.600 0.042 0.000 1.070 565 S CA 0.333 58.568 58.200 0.058 0.000 0.923 565 S CB -0.683 62.565 63.200 0.080 0.000 0.806 565 S HN 0.014 nan 8.310 nan 0.000 0.506 566 V N 0.624 120.567 119.914 0.048 0.000 2.469 566 V HA 0.022 4.142 4.120 -0.000 0.000 0.251 566 V C -0.616 175.474 176.094 -0.006 0.000 1.064 566 V CA 1.450 63.761 62.300 0.019 0.000 1.066 566 V CB -2.535 29.296 31.823 0.013 0.000 0.667 566 V HN 0.291 nan 8.190 nan 0.000 0.461 567 P HA -0.104 nan 4.420 nan 0.000 0.216 567 P C 1.893 179.173 177.300 -0.035 0.000 1.150 567 P CA 1.740 64.819 63.100 -0.035 0.000 0.843 567 P CB -0.098 31.568 31.700 -0.056 0.000 0.787 568 I N -1.034 119.522 120.570 -0.024 0.000 2.286 568 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 568 I C 2.683 178.791 176.117 -0.015 0.000 1.104 568 I CA 1.285 62.575 61.300 -0.017 0.000 1.397 568 I CB -0.650 37.349 38.000 -0.001 0.000 1.072 568 I HN -0.010 nan 8.210 nan 0.000 0.417 569 Q N 1.062 120.855 119.800 -0.012 0.000 2.112 569 Q HA -0.218 4.122 4.340 -0.000 0.000 0.206 569 Q C 2.209 178.191 176.000 -0.030 0.000 0.987 569 Q CA 2.110 57.900 55.803 -0.021 0.000 0.858 569 Q CB -0.307 28.419 28.738 -0.020 0.000 0.905 569 Q HN 0.598 nan 8.270 nan 0.000 0.420 570 G N 0.265 109.049 108.800 -0.027 0.000 2.421 570 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.216 570 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.216 570 G C 1.327 176.214 174.900 -0.022 0.000 1.171 570 G CA 0.672 45.757 45.100 -0.026 0.000 0.775 570 G HN 0.298 nan 8.290 nan 0.000 0.543 571 Q N 0.209 119.997 119.800 -0.021 0.000 2.084 571 Q HA 0.034 4.374 4.340 -0.000 0.000 0.202 571 Q C 2.802 178.794 176.000 -0.014 0.000 0.978 571 Q CA 0.752 56.546 55.803 -0.015 0.000 0.844 571 Q CB -0.568 28.163 28.738 -0.012 0.000 0.898 571 Q HN 0.509 nan 8.270 nan 0.000 0.426 572 L N 0.109 121.320 121.223 -0.021 0.000 2.046 572 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 572 L C 2.478 179.322 176.870 -0.045 0.000 1.077 572 L CA 1.054 55.876 54.840 -0.030 0.000 0.747 572 L CB -0.741 41.296 42.059 -0.037 0.000 0.896 572 L HN 0.130 nan 8.230 nan 0.000 0.432 573 A N 0.383 123.175 122.820 -0.047 0.000 1.883 573 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 573 A C 2.157 179.731 177.584 -0.016 0.000 1.186 573 A CA 1.652 53.659 52.037 -0.050 0.000 0.624 573 A CB -0.500 18.479 19.000 -0.036 0.000 0.822 573 A HN 0.290 nan 8.150 nan 0.000 0.444 574 I N -0.534 120.034 120.570 -0.004 0.000 2.333 574 I HA -0.115 4.055 4.170 -0.000 0.000 0.246 574 I C 2.715 178.841 176.117 0.015 0.000 1.106 574 I CA 1.669 62.976 61.300 0.012 0.000 1.411 574 I CB -1.396 36.608 38.000 0.008 0.000 1.082 574 I HN 0.420 nan 8.210 nan 0.000 0.420 575 S N 1.363 117.066 115.700 0.005 0.000 2.374 575 S HA -0.266 4.204 4.470 -0.000 0.000 0.227 575 S C 1.914 176.522 174.600 0.015 0.000 1.037 575 S CA 2.099 60.304 58.200 0.010 0.000 1.024 575 S CB -0.282 62.920 63.200 0.004 0.000 0.861 575 S HN 0.683 nan 8.310 nan 0.000 0.456 576 Q N -0.136 119.666 119.800 0.005 0.000 2.488 576 Q HA 0.116 4.456 4.340 -0.000 0.000 0.211 576 Q C 1.760 177.796 176.000 0.060 0.000 0.967 576 Q CA 0.833 56.645 55.803 0.016 0.000 0.926 576 Q CB -0.225 28.494 28.738 -0.031 0.000 0.992 576 Q HN 0.533 nan 8.270 nan 0.000 0.506 577 L N -0.013 121.248 121.223 0.062 0.000 2.357 577 L HA 0.167 4.508 4.340 -0.000 0.000 0.211 577 L C 0.835 177.736 176.870 0.051 0.000 1.075 577 L CA -0.216 54.671 54.840 0.078 0.000 0.830 577 L CB -0.021 42.087 42.059 0.082 0.000 0.996 577 L HN 0.167 nan 8.230 nan 0.000 0.467 578 E N 1.727 121.951 120.200 0.040 0.000 2.534 578 E HA -0.032 4.317 4.350 -0.000 0.000 0.264 578 E C -0.209 176.413 176.600 0.036 0.000 0.981 578 E CA 0.462 56.883 56.400 0.034 0.000 0.948 578 E CB 0.567 30.285 29.700 0.030 0.000 0.934 578 E HN 0.054 nan 8.360 nan 0.000 0.459 579 T N 2.516 117.091 114.554 0.035 0.000 2.737 579 T HA 0.397 4.747 4.350 -0.000 0.000 0.296 579 T C 0.531 175.261 174.700 0.051 0.000 0.922 579 T CA -0.184 61.939 62.100 0.037 0.000 1.079 579 T CB 1.136 70.024 68.868 0.034 0.000 0.892 579 T HN 0.553 nan 8.240 nan 0.000 0.514 580 G N 1.587 110.422 108.800 0.059 0.000 3.392 580 G HA2 0.584 4.544 3.960 -0.000 0.000 0.185 580 G HA3 0.584 4.544 3.960 -0.000 0.000 0.185 580 G C -1.624 173.368 174.900 0.152 0.000 1.206 580 G CA -0.441 44.714 45.100 0.093 0.000 0.776 580 G HN 0.556 nan 8.290 nan 0.000 0.697 581 Y N -0.485 119.823 120.300 0.012 0.000 2.562 581 Y HA 0.536 5.086 4.550 -0.000 0.000 0.345 581 Y C 0.297 176.204 175.900 0.012 0.000 1.045 581 Y CA 0.351 58.458 58.100 0.011 0.000 1.028 581 Y CB 1.918 40.383 38.460 0.008 0.000 1.297 581 Y HN 1.650 nan 8.280 nan 0.000 0.463 582 G N 1.076 109.570 108.800 -0.511 0.000 2.603 582 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.686 582 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.686 582 G C -1.878 172.917 174.900 -0.174 0.000 1.286 582 G CA -0.729 44.227 45.100 -0.240 0.000 0.871 582 G HN 0.894 nan 8.290 nan 0.000 0.568 583 V N 1.831 121.686 119.914 -0.100 0.000 2.421 583 V HA 0.293 4.413 4.120 -0.000 0.000 0.271 583 V C 1.469 177.545 176.094 -0.031 0.000 1.031 583 V CA 0.456 62.718 62.300 -0.064 0.000 1.032 583 V CB 0.716 32.515 31.823 -0.039 0.000 1.009 583 V HN 0.827 nan 8.190 nan 0.000 0.477 584 R N 5.032 125.518 120.500 -0.024 0.000 2.641 584 R HA 0.543 4.883 4.340 -0.000 0.000 0.269 584 R C -0.765 175.552 176.300 0.030 0.000 1.074 584 R CA -0.198 55.907 56.100 0.007 0.000 1.133 584 R CB 0.538 30.847 30.300 0.014 0.000 1.029 584 R HN 0.671 nan 8.270 nan 0.000 0.488 585 I N 2.992 123.590 120.570 0.048 0.000 2.769 585 I HA 0.308 4.478 4.170 -0.000 0.000 0.298 585 I C -1.300 174.881 176.117 0.107 0.000 1.128 585 I CA -0.927 60.412 61.300 0.064 0.000 1.031 585 I CB 2.185 40.199 38.000 0.024 0.000 1.235 585 I HN 0.534 nan 8.210 nan 0.000 0.423 586 F N 5.454 125.401 119.950 -0.005 0.000 2.449 586 F HA 0.502 5.029 4.527 -0.000 0.000 0.342 586 F C -0.611 175.188 175.800 -0.002 0.000 1.127 586 F CA -0.432 57.566 58.000 -0.004 0.000 0.975 586 F CB 0.935 39.932 39.000 -0.005 0.000 1.146 586 F HN 0.328 nan 8.300 nan 0.000 0.444 587 N N 7.120 125.372 118.700 -0.746 0.000 2.362 587 N HA 0.418 5.158 4.740 -0.000 0.000 0.298 587 N C -2.747 172.333 175.510 -0.716 0.000 1.048 587 N CA -1.569 51.185 53.050 -0.493 0.000 0.858 587 N CB 2.043 40.359 38.487 -0.285 0.000 1.218 587 N HN 0.287 nan 8.380 nan 0.000 0.488 588 P HA 0.064 nan 4.420 nan 0.000 0.272 588 P C 0.789 178.011 177.300 -0.130 0.000 1.230 588 P CA -0.191 62.852 63.100 -0.095 0.000 0.788 588 P CB 0.956 32.678 31.700 0.036 0.000 0.949 589 K N 0.712 121.076 120.400 -0.061 0.000 2.074 589 K HA -0.183 4.137 4.320 -0.000 0.000 0.209 589 K C 2.027 178.594 176.600 -0.054 0.000 1.048 589 K CA 2.132 58.380 56.287 -0.064 0.000 0.926 589 K CB -1.604 30.875 32.500 -0.036 0.000 0.713 589 K HN 0.468 nan 8.250 nan 0.000 0.444 590 G N 1.529 110.312 108.800 -0.029 0.000 2.469 590 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.220 590 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.220 590 G C 1.518 176.412 174.900 -0.010 0.000 1.136 590 G CA 1.257 46.351 45.100 -0.010 0.000 0.759 590 G HN 0.341 nan 8.290 nan 0.000 0.562 591 I N 0.003 120.554 120.570 -0.032 0.000 2.480 591 I HA 0.043 4.213 4.170 -0.000 0.000 0.251 591 I C 2.555 178.646 176.117 -0.042 0.000 1.124 591 I CA 0.220 61.500 61.300 -0.033 0.000 1.444 591 I CB -0.099 37.873 38.000 -0.046 0.000 1.098 591 I HN 0.102 nan 8.210 nan 0.000 0.428 592 L N -0.109 121.071 121.223 -0.072 0.000 2.131 592 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 592 L C 2.717 179.569 176.870 -0.030 0.000 1.092 592 L CA 1.175 55.974 54.840 -0.068 0.000 0.759 592 L CB -0.559 41.438 42.059 -0.102 0.000 0.903 592 L HN 0.253 nan 8.230 nan 0.000 0.435 593 S N -0.013 115.676 115.700 -0.019 0.000 2.368 593 S HA -0.196 4.274 4.470 -0.000 0.000 0.225 593 S C 1.984 176.611 174.600 0.044 0.000 1.030 593 S CA 1.411 59.621 58.200 0.017 0.000 0.999 593 S CB 0.063 63.278 63.200 0.025 0.000 0.844 593 S HN 0.354 nan 8.310 nan 0.000 0.459 594 K N 0.519 120.939 120.400 0.033 0.000 2.001 594 K HA 0.053 4.373 4.320 -0.000 0.000 0.208 594 K C 2.078 178.695 176.600 0.027 0.000 1.048 594 K CA 1.592 57.900 56.287 0.035 0.000 0.932 594 K CB -0.415 32.100 32.500 0.025 0.000 0.715 594 K HN 0.382 nan 8.250 nan 0.000 0.437 595 I N 1.428 122.006 120.570 0.013 0.000 2.185 595 I HA -0.349 3.821 4.170 -0.000 0.000 0.246 595 I C 2.528 178.658 176.117 0.022 0.000 1.088 595 I CA 1.332 62.639 61.300 0.012 0.000 1.347 595 I CB -0.451 37.547 38.000 -0.003 0.000 1.041 595 I HN 0.213 nan 8.210 nan 0.000 0.415 596 A N -0.157 122.676 122.820 0.022 0.000 1.898 596 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 596 A C 2.490 180.103 177.584 0.048 0.000 1.181 596 A CA 2.093 54.148 52.037 0.031 0.000 0.620 596 A CB -0.724 18.291 19.000 0.025 0.000 0.819 596 A HN 0.372 nan 8.150 nan 0.000 0.442 597 S N -0.349 115.383 115.700 0.053 0.000 2.359 597 S HA -0.191 4.279 4.470 -0.000 0.000 0.224 597 S C 2.092 176.726 174.600 0.055 0.000 1.035 597 S CA 1.649 59.883 58.200 0.058 0.000 1.018 597 S CB -0.325 62.907 63.200 0.054 0.000 0.876 597 S HN 0.633 nan 8.310 nan 0.000 0.448 598 R N 1.156 121.684 120.500 0.047 0.000 2.096 598 R HA 0.018 4.358 4.340 -0.000 0.000 0.235 598 R C 2.564 178.903 176.300 0.064 0.000 1.127 598 R CA 1.178 57.306 56.100 0.047 0.000 0.968 598 R CB -0.494 29.827 30.300 0.035 0.000 0.861 598 R HN 0.394 nan 8.270 nan 0.000 0.440 599 A N 1.488 124.348 122.820 0.066 0.000 1.877 599 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 599 A C 2.179 179.844 177.584 0.136 0.000 1.186 599 A CA 1.488 53.577 52.037 0.086 0.000 0.620 599 A CB -0.516 18.523 19.000 0.065 0.000 0.822 599 A HN 0.316 nan 8.150 nan 0.000 0.443 600 M N -1.163 118.514 119.600 0.129 0.000 2.117 600 M HA -0.209 4.271 4.480 -0.000 0.000 0.262 600 M C 2.159 178.582 176.300 0.205 0.000 1.065 600 M CA 1.705 57.119 55.300 0.190 0.000 1.114 600 M CB -0.241 32.440 32.600 0.135 0.000 1.361 600 M HN 0.356 nan 8.290 nan 0.000 0.408 601 Q N 0.166 120.039 119.800 0.121 0.000 2.079 601 Q HA -0.082 4.258 4.340 -0.000 0.000 0.200 601 Q C 2.173 178.218 176.000 0.075 0.000 0.974 601 Q CA 1.910 57.761 55.803 0.080 0.000 0.840 601 Q CB -0.725 28.042 28.738 0.048 0.000 0.898 601 Q HN 0.698 nan 8.270 nan 0.000 0.430 602 A N 0.326 123.203 122.820 0.094 0.000 1.933 602 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 602 A C 1.928 179.579 177.584 0.112 0.000 1.175 602 A CA 1.324 53.411 52.037 0.082 0.000 0.628 602 A CB -0.766 18.285 19.000 0.085 0.000 0.814 602 A HN 0.370 nan 8.150 nan 0.000 0.444 603 F N 0.745 120.714 119.950 0.031 0.000 2.113 603 F HA -0.101 4.426 4.527 -0.000 0.000 0.297 603 F C 1.882 177.701 175.800 0.033 0.000 1.103 603 F CA 1.526 59.550 58.000 0.040 0.000 1.248 603 F CB -0.331 38.721 39.000 0.087 0.000 0.999 603 F HN 0.173 nan 8.300 nan 0.000 0.475 604 I N 0.128 120.591 120.570 -0.178 0.000 2.394 604 I HA -0.180 3.990 4.170 -0.000 0.000 0.251 604 I C 2.578 178.568 176.117 -0.212 0.000 1.136 604 I CA 1.361 62.494 61.300 -0.278 0.000 1.425 604 I CB -1.151 36.807 38.000 -0.070 0.000 1.079 604 I HN 0.327 nan 8.210 nan 0.000 0.425 605 G N -0.776 107.953 108.800 -0.118 0.000 2.551 605 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.216 605 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.216 605 G C 0.393 175.234 174.900 -0.098 0.000 1.137 605 G CA 0.352 45.400 45.100 -0.087 0.000 0.798 605 G HN 0.289 nan 8.290 nan 0.000 0.536 606 D N -0.912 119.418 120.400 -0.116 0.000 2.527 606 D HA 0.228 4.868 4.640 -0.000 0.000 0.242 606 D C -2.205 174.023 176.300 -0.119 0.000 1.285 606 D CA -1.304 52.638 54.000 -0.096 0.000 0.886 606 D CB 1.494 42.270 40.800 -0.040 0.000 1.402 606 D HN -0.105 nan 8.370 nan 0.000 0.528 607 P HA -0.135 nan 4.420 nan 0.000 0.220 607 P C 1.374 178.659 177.300 -0.025 0.000 1.144 607 P CA 1.022 63.979 63.100 -0.238 0.000 0.800 607 P CB 0.205 31.726 31.700 -0.299 0.000 0.772 608 S N -1.750 113.919 115.700 -0.052 0.000 2.603 608 S HA -0.098 4.372 4.470 -0.000 0.000 0.229 608 S C 1.724 176.309 174.600 -0.023 0.000 0.972 608 S CA 1.307 59.477 58.200 -0.050 0.000 0.935 608 S CB -1.727 61.438 63.200 -0.058 0.000 0.769 608 S HN 0.283 nan 8.310 nan 0.000 0.536 609 T N 1.547 116.115 114.554 0.023 0.000 2.915 609 T HA -0.018 4.332 4.350 -0.000 0.000 0.269 609 T C 1.855 176.566 174.700 0.017 0.000 1.071 609 T CA 0.941 63.064 62.100 0.039 0.000 1.132 609 T CB -1.025 67.890 68.868 0.079 0.000 0.878 609 T HN 0.757 nan 8.240 nan 0.000 0.479 610 I N 0.344 120.907 120.570 -0.013 0.000 2.493 610 I HA 0.073 4.243 4.170 -0.000 0.000 0.254 610 I C 2.008 178.028 176.117 -0.163 0.000 1.160 610 I CA 1.061 62.271 61.300 -0.150 0.000 1.445 610 I CB -0.679 37.055 38.000 -0.444 0.000 1.086 610 I HN 0.307 nan 8.210 nan 0.000 0.433 611 I N -0.834 119.658 120.570 -0.130 0.000 3.956 611 I HA 0.304 4.474 4.170 -0.000 0.000 0.333 611 I C 0.156 176.280 176.117 0.012 0.000 1.302 611 I CA -0.021 61.222 61.300 -0.095 0.000 1.122 611 I CB -0.513 37.362 38.000 -0.208 0.000 1.013 611 I HN -0.109 nan 8.210 nan 0.000 0.405 612 T N 2.454 117.015 114.554 0.011 0.000 2.817 612 T HA 0.183 4.533 4.350 -0.000 0.000 0.293 612 T C -0.124 174.607 174.700 0.051 0.000 0.964 612 T CA -0.190 61.940 62.100 0.049 0.000 1.085 612 T CB 0.988 69.874 68.868 0.031 0.000 0.921 612 T HN 0.407 nan 8.240 nan 0.000 0.502 613 Q N 2.123 121.962 119.800 0.065 0.000 2.349 613 Q HA 0.256 4.596 4.340 -0.000 0.000 0.287 613 Q C 0.929 176.949 176.000 0.033 0.000 1.044 613 Q CA 0.552 56.382 55.803 0.046 0.000 0.918 613 Q CB 0.083 28.844 28.738 0.038 0.000 1.242 613 Q HN 0.984 nan 8.270 nan 0.000 0.405 614 A N 1.782 124.618 122.820 0.028 0.000 2.910 614 A HA -0.266 4.054 4.320 -0.000 0.000 0.267 614 A C 0.472 178.071 177.584 0.026 0.000 1.310 614 A CA 1.022 53.074 52.037 0.025 0.000 0.934 614 A CB -2.219 16.794 19.000 0.021 0.000 1.057 614 A HN 1.166 nan 8.150 nan 0.000 0.742 615 A N -0.402 122.435 122.820 0.028 0.000 2.505 615 A HA 0.481 4.801 4.320 -0.000 0.000 0.271 615 A C -0.150 177.453 177.584 0.032 0.000 1.112 615 A CA -0.202 51.854 52.037 0.031 0.000 0.781 615 A CB -0.362 18.657 19.000 0.032 0.000 1.059 615 A HN 0.373 nan 8.150 nan 0.000 0.508 616 P HA -0.310 nan 4.420 nan 0.000 0.230 616 P C 1.302 178.620 177.300 0.030 0.000 0.781 616 P CA 2.376 65.494 63.100 0.029 0.000 1.067 616 P CB 0.088 31.806 31.700 0.030 0.000 0.733 617 V N -2.782 117.155 119.914 0.037 0.000 3.379 617 V HA 0.058 4.178 4.120 -0.000 0.000 0.249 617 V C 1.955 178.075 176.094 0.044 0.000 1.184 617 V CA 0.600 62.921 62.300 0.036 0.000 1.106 617 V CB -0.519 31.324 31.823 0.033 0.000 0.826 617 V HN 0.055 nan 8.190 nan 0.000 0.465 618 L N 0.085 121.338 121.223 0.051 0.000 2.610 618 L HA 0.035 4.375 4.340 -0.000 0.000 0.232 618 L C 2.283 179.172 176.870 0.032 0.000 1.149 618 L CA 0.981 55.852 54.840 0.050 0.000 0.872 618 L CB -0.412 41.680 42.059 0.055 0.000 0.992 618 L HN 0.298 nan 8.230 nan 0.000 0.447 619 S N -0.909 114.811 115.700 0.032 0.000 2.522 619 S HA -0.089 4.381 4.470 -0.000 0.000 0.227 619 S C 0.757 175.378 174.600 0.036 0.000 0.986 619 S CA 0.116 58.332 58.200 0.027 0.000 0.929 619 S CB -0.195 63.022 63.200 0.028 0.000 0.769 619 S HN 0.356 nan 8.310 nan 0.000 0.529 620 D N 1.453 121.882 120.400 0.048 0.000 2.274 620 D HA 0.145 4.785 4.640 -0.000 0.000 0.239 620 D C 1.092 177.446 176.300 0.089 0.000 1.104 620 D CA -0.340 53.694 54.000 0.056 0.000 0.840 620 D CB 1.493 42.321 40.800 0.046 0.000 1.100 620 D HN 0.408 nan 8.370 nan 0.000 0.477 621 K N 3.426 123.882 120.400 0.093 0.000 2.211 621 K HA -0.179 4.141 4.320 -0.000 0.000 0.204 621 K C 0.970 177.656 176.600 0.142 0.000 1.047 621 K CA 0.945 57.319 56.287 0.146 0.000 0.935 621 K CB 0.083 32.652 32.500 0.115 0.000 0.728 621 K HN 0.198 nan 8.250 nan 0.000 0.452 622 N N 1.300 120.048 118.700 0.080 0.000 2.142 622 N HA -0.098 4.642 4.740 -0.000 0.000 0.186 622 N C 1.331 176.857 175.510 0.027 0.000 1.023 622 N CA 1.252 54.327 53.050 0.042 0.000 0.852 622 N CB -0.387 38.115 38.487 0.025 0.000 0.998 622 N HN 0.378 nan 8.380 nan 0.000 0.424 623 N N 0.625 119.355 118.700 0.049 0.000 2.244 623 N HA -0.158 4.582 4.740 -0.000 0.000 0.183 623 N C 1.591 177.125 175.510 0.040 0.000 1.016 623 N CA 0.463 53.532 53.050 0.031 0.000 0.866 623 N CB -0.391 38.122 38.487 0.043 0.000 0.980 623 N HN 0.511 nan 8.380 nan 0.000 0.430 624 W N 2.249 123.497 121.300 -0.087 0.000 2.354 624 W HA -0.085 4.575 4.660 0.000 0.000 0.315 624 W C 1.715 178.174 176.519 -0.101 0.000 1.206 624 W CA 0.747 58.016 57.345 -0.126 0.000 1.290 624 W CB -0.319 29.084 29.460 -0.096 0.000 1.152 624 W HN -0.077 nan 8.180 nan 0.000 0.489 625 I N 1.702 122.084 120.570 -0.314 0.000 2.208 625 I HA -0.328 3.842 4.170 -0.000 0.000 0.245 625 I C 2.779 178.690 176.117 -0.342 0.000 1.097 625 I CA 1.689 62.755 61.300 -0.391 0.000 1.363 625 I CB -1.102 36.817 38.000 -0.136 0.000 1.051 625 I HN 0.010 nan 8.210 nan 0.000 0.413 626 A N 0.686 123.374 122.820 -0.220 0.000 1.902 626 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 626 A C 2.254 179.707 177.584 -0.217 0.000 1.181 626 A CA 1.597 53.532 52.037 -0.169 0.000 0.623 626 A CB -0.702 18.239 19.000 -0.099 0.000 0.818 626 A HN 0.385 nan 8.150 nan 0.000 0.443 627 L N -0.368 120.682 121.223 -0.289 0.000 2.023 627 L HA 0.048 4.388 4.340 -0.000 0.000 0.205 627 L C 2.718 179.339 176.870 -0.416 0.000 1.073 627 L CA 2.186 56.845 54.840 -0.302 0.000 0.745 627 L CB -0.960 40.917 42.059 -0.303 0.000 0.900 627 L HN 0.328 nan 8.230 nan 0.000 0.435 628 A N -0.972 121.387 122.820 -0.768 0.000 1.873 628 A HA -0.270 4.050 4.320 -0.000 0.000 0.218 628 A C 2.200 179.563 177.584 -0.367 0.000 1.193 628 A CA 2.024 53.620 52.037 -0.735 0.000 0.629 628 A CB -0.698 17.620 19.000 -1.138 0.000 0.826 628 A HN 0.637 nan 8.150 nan 0.000 0.447 629 Q N -0.904 118.705 119.800 -0.319 0.000 2.172 629 Q HA -0.058 4.282 4.340 -0.000 0.000 0.200 629 Q C 2.253 178.172 176.000 -0.134 0.000 0.964 629 Q CA 1.274 56.966 55.803 -0.185 0.000 0.855 629 Q CB -0.785 27.860 28.738 -0.156 0.000 0.918 629 Q HN 0.673 nan 8.270 nan 0.000 0.444 630 G N 0.529 109.242 108.800 -0.144 0.000 2.421 630 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.216 630 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.216 630 G C 1.606 176.464 174.900 -0.069 0.000 1.171 630 G CA 0.991 46.035 45.100 -0.093 0.000 0.775 630 G HN 0.255 nan 8.290 nan 0.000 0.543 631 V N 0.986 120.853 119.914 -0.078 0.000 2.370 631 V HA -0.302 3.818 4.120 -0.000 0.000 0.252 631 V C 2.829 178.905 176.094 -0.030 0.000 1.068 631 V CA 2.510 64.785 62.300 -0.041 0.000 1.061 631 V CB -0.494 31.308 31.823 -0.034 0.000 0.656 631 V HN 0.428 nan 8.190 nan 0.000 0.455 632 K N -0.377 119.997 120.400 -0.042 0.000 2.032 632 K HA -0.176 4.144 4.320 -0.000 0.000 0.209 632 K C 2.221 178.808 176.600 -0.022 0.000 1.048 632 K CA 2.025 58.294 56.287 -0.029 0.000 0.927 632 K CB -0.559 31.919 32.500 -0.036 0.000 0.712 632 K HN 0.491 nan 8.250 nan 0.000 0.441 633 T N 0.480 115.018 114.554 -0.027 0.000 2.737 633 T HA -0.158 4.192 4.350 -0.000 0.000 0.265 633 T C 2.042 176.736 174.700 -0.011 0.000 1.038 633 T CA 1.517 63.606 62.100 -0.019 0.000 1.144 633 T CB -0.328 68.527 68.868 -0.023 0.000 0.866 633 T HN 0.237 nan 8.240 nan 0.000 0.434 634 S N 0.729 116.422 115.700 -0.011 0.000 2.380 634 S HA -0.089 4.381 4.470 -0.000 0.000 0.229 634 S C 1.951 176.552 174.600 0.002 0.000 1.043 634 S CA 1.165 59.364 58.200 -0.001 0.000 1.038 634 S CB -0.463 62.737 63.200 0.001 0.000 0.872 634 S HN 0.425 nan 8.310 nan 0.000 0.456 635 L N 0.100 121.323 121.223 -0.000 0.000 2.102 635 L HA 0.128 4.468 4.340 -0.000 0.000 0.202 635 L C 2.853 179.724 176.870 0.001 0.000 1.076 635 L CA 0.857 55.698 54.840 0.002 0.000 0.761 635 L CB -0.442 41.618 42.059 0.002 0.000 0.921 635 L HN 0.193 nan 8.230 nan 0.000 0.444 636 R N -0.116 120.383 120.500 -0.002 0.000 2.200 636 R HA -0.116 4.224 4.340 -0.000 0.000 0.234 636 R C 1.583 177.883 176.300 0.000 0.000 1.127 636 R CA 1.682 57.781 56.100 -0.001 0.000 0.989 636 R CB -0.367 29.931 30.300 -0.004 0.000 0.869 636 R HN 0.447 nan 8.270 nan 0.000 0.459 637 T N -1.912 112.643 114.554 0.001 0.000 3.244 637 T HA 0.216 4.566 4.350 -0.000 0.000 0.254 637 T C 0.226 174.929 174.700 0.005 0.000 1.024 637 T CA -0.372 61.730 62.100 0.003 0.000 0.920 637 T CB 0.116 68.985 68.868 0.002 0.000 1.042 637 T HN -0.039 nan 8.240 nan 0.000 0.572 638 K N 1.214 121.617 120.400 0.005 0.000 2.098 638 K HA 0.572 4.892 4.320 -0.000 0.000 0.261 638 K C -0.512 176.091 176.600 0.005 0.000 0.987 638 K CA -0.605 55.686 56.287 0.006 0.000 0.916 638 K CB 1.198 33.701 32.500 0.005 0.000 1.039 638 K HN 0.010 nan 8.250 nan 0.000 0.455 639 S N 2.870 118.574 115.700 0.006 0.000 2.542 639 S HA 0.144 4.614 4.470 -0.000 0.000 0.245 639 S C -0.348 174.255 174.600 0.005 0.000 1.325 639 S CA -0.655 57.548 58.200 0.005 0.000 1.176 639 S CB 0.310 63.514 63.200 0.006 0.000 1.045 639 S HN 0.509 nan 8.310 nan 0.000 0.481 640 L N 1.829 123.054 121.223 0.004 0.000 4.063 640 L HA -0.201 4.139 4.340 -0.000 0.000 0.468 640 L C 0.906 177.777 176.870 0.002 0.000 1.118 640 L CA 0.890 55.731 54.840 0.003 0.000 0.814 640 L CB -3.169 38.892 42.059 0.003 0.000 1.754 640 L HN 0.779 nan 8.230 nan 0.000 0.897 641 S N -1.809 113.893 115.700 0.003 0.000 2.690 641 S HA 0.932 5.402 4.470 -0.000 0.000 0.291 641 S C 0.068 174.668 174.600 0.000 0.000 1.138 641 S CA -0.131 58.070 58.200 0.002 0.000 1.013 641 S CB 3.107 66.310 63.200 0.004 0.000 1.053 641 S HN 0.802 nan 8.310 nan 0.000 0.539 642 A N 0.576 123.395 122.820 -0.001 0.000 2.486 642 A HA 0.801 5.121 4.320 -0.000 0.000 0.300 642 A C 0.273 177.853 177.584 -0.007 0.000 1.048 642 A CA -0.480 51.554 52.037 -0.004 0.000 0.696 642 A CB 0.814 19.811 19.000 -0.006 0.000 1.278 642 A HN 1.538 nan 8.150 nan 0.000 0.405 643 G N 0.335 109.128 108.800 -0.010 0.000 2.368 643 G HA2 0.341 4.301 3.960 -0.000 0.000 0.233 643 G HA3 0.341 4.301 3.960 -0.000 0.000 0.233 643 G C 0.985 175.875 174.900 -0.017 0.000 1.267 643 G CA 0.300 45.390 45.100 -0.016 0.000 0.873 643 G HN 1.087 nan 8.290 nan 0.000 0.539 644 V N 2.879 122.781 119.914 -0.020 0.000 2.255 644 V HA -0.243 3.877 4.120 -0.000 0.000 0.247 644 V C 2.863 178.944 176.094 -0.020 0.000 1.051 644 V CA 2.398 64.687 62.300 -0.018 0.000 1.018 644 V CB -0.687 31.123 31.823 -0.021 0.000 0.641 644 V HN 0.886 nan 8.190 nan 0.000 0.445 645 K N -0.355 120.028 120.400 -0.028 0.000 2.074 645 K HA -0.223 4.097 4.320 -0.000 0.000 0.209 645 K C 2.206 178.793 176.600 -0.022 0.000 1.048 645 K CA 2.150 58.421 56.287 -0.027 0.000 0.926 645 K CB -0.325 32.155 32.500 -0.034 0.000 0.713 645 K HN 0.554 nan 8.250 nan 0.000 0.444 646 T N 0.678 115.220 114.554 -0.021 0.000 2.701 646 T HA -0.108 4.242 4.350 -0.000 0.000 0.263 646 T C 1.862 176.553 174.700 -0.015 0.000 1.040 646 T CA 1.289 63.378 62.100 -0.018 0.000 1.147 646 T CB -0.361 68.496 68.868 -0.017 0.000 0.865 646 T HN 0.419 nan 8.240 nan 0.000 0.426 647 A N 1.725 124.537 122.820 -0.013 0.000 1.903 647 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 647 A C 2.692 180.271 177.584 -0.008 0.000 1.191 647 A CA 2.382 54.413 52.037 -0.009 0.000 0.638 647 A CB -1.297 17.698 19.000 -0.007 0.000 0.823 647 A HN 0.519 nan 8.150 nan 0.000 0.451 648 V N -2.703 117.206 119.914 -0.009 0.000 2.307 648 V HA -0.145 3.975 4.120 -0.000 0.000 0.245 648 V C 2.306 178.395 176.094 -0.009 0.000 1.045 648 V CA 2.754 65.049 62.300 -0.008 0.000 1.024 648 V CB -1.164 30.654 31.823 -0.008 0.000 0.651 648 V HN 0.471 nan 8.190 nan 0.000 0.449 649 S N -0.246 115.447 115.700 -0.012 0.000 2.370 649 S HA -0.212 4.258 4.470 -0.000 0.000 0.226 649 S C 2.127 176.718 174.600 -0.013 0.000 1.033 649 S CA 1.777 59.969 58.200 -0.013 0.000 1.011 649 S CB -0.432 62.758 63.200 -0.017 0.000 0.852 649 S HN 0.661 nan 8.310 nan 0.000 0.457 650 K N 1.088 121.480 120.400 -0.013 0.000 2.002 650 K HA -0.015 4.305 4.320 -0.000 0.000 0.209 650 K C 2.145 178.739 176.600 -0.009 0.000 1.048 650 K CA 1.263 57.542 56.287 -0.013 0.000 0.930 650 K CB -0.961 31.532 32.500 -0.012 0.000 0.714 650 K HN 0.438 nan 8.250 nan 0.000 0.438 651 L N 0.665 121.885 121.223 -0.005 0.000 2.046 651 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 651 L C 2.715 179.586 176.870 0.002 0.000 1.077 651 L CA 1.136 55.976 54.840 -0.001 0.000 0.747 651 L CB -0.598 41.462 42.059 0.000 0.000 0.896 651 L HN 0.170 nan 8.230 nan 0.000 0.432 652 S N -0.517 115.183 115.700 -0.001 0.000 2.368 652 S HA -0.181 4.289 4.470 -0.000 0.000 0.225 652 S C 2.190 176.791 174.600 0.001 0.000 1.030 652 S CA 1.884 60.085 58.200 0.001 0.000 0.999 652 S CB -0.075 63.124 63.200 -0.002 0.000 0.844 652 S HN 0.417 nan 8.310 nan 0.000 0.459 653 S N 0.889 116.586 115.700 -0.006 0.000 2.371 653 S HA 0.008 4.478 4.470 -0.000 0.000 0.224 653 S C 2.168 176.765 174.600 -0.005 0.000 1.029 653 S CA 1.134 59.328 58.200 -0.011 0.000 0.978 653 S CB -0.490 62.696 63.200 -0.024 0.000 0.833 653 S HN 0.572 nan 8.310 nan 0.000 0.466 654 S N 1.596 117.295 115.700 -0.001 0.000 2.383 654 S HA -0.146 4.324 4.470 -0.000 0.000 0.229 654 S C 1.852 176.467 174.600 0.025 0.000 1.030 654 S CA 1.116 59.321 58.200 0.008 0.000 1.002 654 S CB -0.298 62.906 63.200 0.007 0.000 0.829 654 S HN 0.546 nan 8.310 nan 0.000 0.467 655 E N 1.073 121.287 120.200 0.024 0.000 2.051 655 E HA -0.131 4.219 4.350 -0.000 0.000 0.192 655 E C 2.453 179.084 176.600 0.051 0.000 0.991 655 E CA 1.443 57.864 56.400 0.034 0.000 0.799 655 E CB -0.228 29.487 29.700 0.025 0.000 0.748 655 E HN 0.635 nan 8.360 nan 0.000 0.449 656 S N 0.794 116.521 115.700 0.045 0.000 2.399 656 S HA -0.139 4.331 4.470 -0.000 0.000 0.231 656 S C 2.020 176.686 174.600 0.110 0.000 1.022 656 S CA 0.800 59.039 58.200 0.064 0.000 0.983 656 S CB -0.417 62.804 63.200 0.035 0.000 0.803 656 S HN 0.184 nan 8.310 nan 0.000 0.480 657 I N 1.388 122.010 120.570 0.085 0.000 2.406 657 I HA -0.123 4.047 4.170 -0.000 0.000 0.249 657 I C 3.086 179.343 176.117 0.234 0.000 1.122 657 I CA 1.288 62.665 61.300 0.128 0.000 1.431 657 I CB -0.450 37.567 38.000 0.029 0.000 1.087 657 I HN 0.413 nan 8.210 nan 0.000 0.424 658 Q N 1.611 121.497 119.800 0.144 0.000 2.084 658 Q HA -0.273 4.067 4.340 -0.000 0.000 0.202 658 Q C 1.967 178.046 176.000 0.132 0.000 0.978 658 Q CA 1.871 57.750 55.803 0.126 0.000 0.844 658 Q CB -0.391 28.391 28.738 0.074 0.000 0.898 658 Q HN 0.534 nan 8.270 nan 0.000 0.426 659 N N -0.326 118.451 118.700 0.129 0.000 2.120 659 N HA -0.187 4.553 4.740 -0.000 0.000 0.188 659 N C 1.705 177.302 175.510 0.145 0.000 1.024 659 N CA 1.436 54.551 53.050 0.110 0.000 0.852 659 N CB -0.481 38.064 38.487 0.097 0.000 1.003 659 N HN 0.401 nan 8.380 nan 0.000 0.424 660 W N 2.004 123.322 121.300 0.030 0.000 2.358 660 W HA -0.087 4.573 4.660 -0.000 0.000 0.303 660 W C 2.148 178.714 176.519 0.078 0.000 1.208 660 W CA 2.045 59.416 57.345 0.043 0.000 1.274 660 W CB -0.651 28.819 29.460 0.017 0.000 1.138 660 W HN -0.068 nan 8.180 nan 0.000 0.515 661 T N 0.606 115.272 114.554 0.187 0.000 2.720 661 T HA -0.337 4.013 4.350 -0.000 0.000 0.268 661 T C 1.524 176.176 174.700 -0.079 0.000 1.037 661 T CA 1.952 64.049 62.100 -0.005 0.000 1.144 661 T CB -0.525 68.448 68.868 0.176 0.000 0.864 661 T HN 0.186 nan 8.240 nan 0.000 0.444 662 Q N 1.166 120.950 119.800 -0.027 0.000 2.020 662 Q HA 0.018 4.358 4.340 -0.000 0.000 0.202 662 Q C 2.530 178.476 176.000 -0.091 0.000 0.982 662 Q CA 2.117 57.894 55.803 -0.043 0.000 0.838 662 Q CB -1.171 27.559 28.738 -0.014 0.000 0.899 662 Q HN 0.494 nan 8.270 nan 0.000 0.423 663 G N -0.316 108.423 108.800 -0.102 0.000 2.475 663 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.220 663 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.220 663 G C 1.292 176.101 174.900 -0.153 0.000 1.125 663 G CA 0.956 45.987 45.100 -0.114 0.000 0.755 663 G HN 0.454 nan 8.290 nan 0.000 0.565 664 F N 1.016 120.710 119.950 -0.426 0.000 2.128 664 F HA 0.172 4.699 4.527 -0.000 0.000 0.295 664 F C 2.437 178.102 175.800 -0.224 0.000 1.100 664 F CA 0.797 58.549 58.000 -0.413 0.000 1.260 664 F CB -0.344 38.224 39.000 -0.720 0.000 1.009 664 F HN 0.032 nan 8.300 nan 0.000 0.476 665 L N 0.163 121.213 121.223 -0.288 0.000 2.187 665 L HA -0.242 4.098 4.340 -0.000 0.000 0.213 665 L C 2.045 178.756 176.870 -0.265 0.000 1.100 665 L CA 1.318 55.980 54.840 -0.298 0.000 0.765 665 L CB -0.815 41.169 42.059 -0.125 0.000 0.904 665 L HN 0.153 nan 8.230 nan 0.000 0.437 666 D N 0.271 120.547 120.400 -0.208 0.000 2.097 666 D HA -0.150 4.490 4.640 -0.000 0.000 0.197 666 D C 2.164 178.349 176.300 -0.191 0.000 0.984 666 D CA 1.135 55.038 54.000 -0.162 0.000 0.826 666 D CB -0.048 40.681 40.800 -0.119 0.000 0.973 666 D HN 0.280 nan 8.370 nan 0.000 0.460 667 K N 0.504 120.772 120.400 -0.219 0.000 2.103 667 K HA -0.092 4.228 4.320 -0.000 0.000 0.207 667 K C 2.184 178.701 176.600 -0.138 0.000 1.048 667 K CA 0.614 56.801 56.287 -0.166 0.000 0.930 667 K CB -0.088 32.359 32.500 -0.089 0.000 0.716 667 K HN 0.005 nan 8.250 nan 0.000 0.444 668 V N 0.808 120.553 119.914 -0.281 0.000 2.261 668 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 668 V C 2.432 178.544 176.094 0.029 0.000 1.047 668 V CA 2.099 64.317 62.300 -0.136 0.000 1.015 668 V CB -0.504 31.110 31.823 -0.349 0.000 0.642 668 V HN 0.385 nan 8.190 nan 0.000 0.446 669 S N -0.534 115.119 115.700 -0.079 0.000 2.383 669 S HA -0.244 4.226 4.470 -0.000 0.000 0.229 669 S C 2.034 176.594 174.600 -0.068 0.000 1.030 669 S CA 2.421 60.592 58.200 -0.048 0.000 1.002 669 S CB -0.427 62.725 63.200 -0.080 0.000 0.829 669 S HN 0.698 nan 8.310 nan 0.000 0.467 670 T N 0.658 115.110 114.554 -0.170 0.000 2.821 670 T HA -0.021 4.329 4.350 -0.000 0.000 0.267 670 T C 1.303 175.769 174.700 -0.391 0.000 1.046 670 T CA 1.182 63.099 62.100 -0.306 0.000 1.139 670 T CB -0.328 68.262 68.868 -0.463 0.000 0.871 670 T HN 0.549 nan 8.240 nan 0.000 0.454 671 H N -1.058 117.965 119.070 -0.078 0.000 2.551 671 H HA 0.266 4.822 4.556 -0.000 0.000 0.271 671 H C -0.432 174.516 175.328 -0.632 0.000 0.984 671 H CA 0.151 56.024 56.048 -0.292 0.000 1.164 671 H CB 0.258 29.844 29.762 -0.293 0.000 1.437 671 H HN 0.350 nan 8.280 nan 0.000 0.550 672 F N 0.689 120.643 119.950 0.007 0.000 2.708 672 F HA 0.313 4.840 4.527 -0.000 0.000 0.344 672 F C -2.547 173.235 175.800 -0.029 0.000 1.447 672 F CA -2.330 55.668 58.000 -0.002 0.000 1.140 672 F CB 1.072 40.070 39.000 -0.004 0.000 1.657 672 F HN -0.167 nan 8.300 nan 0.000 0.598 673 P HA 0.089 nan 4.420 nan 0.000 0.265 673 P C -0.006 177.316 177.300 0.037 0.000 1.187 673 P CA 0.178 63.288 63.100 0.016 0.000 0.766 673 P CB 0.775 32.462 31.700 -0.021 0.000 0.820 674 A N 4.791 127.624 122.820 0.022 0.000 2.351 674 A HA 0.519 4.839 4.320 -0.000 0.000 0.257 674 A C -1.774 175.820 177.584 0.017 0.000 1.087 674 A CA -0.872 51.180 52.037 0.025 0.000 0.798 674 A CB -1.267 17.741 19.000 0.013 0.000 1.033 674 A HN 0.442 nan 8.150 nan 0.000 0.488 675 P HA 0.000 nan 4.420 nan 0.000 0.216 675 P CA 0.000 63.109 63.100 0.016 0.000 0.800 675 P CB 0.000 31.713 31.700 0.021 0.000 0.726