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 2cn2_1_B DATA FIRST_RESID 33 DATA SEQUENCE VTSVPYKWDN VVIGGGGGFX PGIVFNETEK DLIYARADIG GAYRWDPSTE DATA SEQUENCE TWIPLLDHFQ XDEYSYYGVE SIATDPVDPN RVYIVAGXYT NDWLPNXGAI DATA SEQUENCE LRSTDRGETW EKTILPFKXG GNXPGRSXGE RLAIDPNDNR ILYLGTRCGN DATA SEQUENCE GLWRSTDYGV TWSKVESFPN PGTXXXXXXX XXXXXIIGVV WVVFDKSSST DATA SEQUENCE PGNPTKTIYV GVADKNESIY RSTDGGVTWK AVPGQPKGLL PHHGVLASNG DATA SEQUENCE XLYITYGDXX XXXXXXGKGQ VWKFNTRTGE WIDITPIPYS SSDNRFCFAG DATA SEQUENCE LAVDRQNPDI IXVTSXNAWW PDEYIFRSTD GGATWKNIWE WGXYPERILH DATA SEQUENCE YEIDISAAPW LDWGTEKQLP EINPKLGWXI GDIEIDPFNS DRXXYVTGAT DATA SEQUENCE IYGCDNLTDW DRGGKVKIEV KATGIEECAV LDLVSPPEGA PLVSAVGDLV DATA SEQUENCE GFVHDDLKVG PKKXHVPSYS SGTGIDYAEL VPNFXALVAK AXXXXVKKIS DATA SEQUENCE FSYDGGRNWF QPPNEAPNSV GGGSVAVAAD AKSVIWTPEN ASPAVTTDNG DATA SEQUENCE NSWKVCTNLG XGAVVASDRV NGKKFYAFYN GKFYISTDGG LTFTDTKAPQ DATA SEQUENCE LPKSVNKIKA VPGKEGHVWL AAREGGLWRS TDGGYTFEKL SNVDTAHVVG DATA SEQUENCE FGKAAPGQDY XAIYITGKID NVLGFFRSDD AGKTWVRIND DEHGYGAVDT DATA SEQUENCE AITGDPRVYG RVYIATNGRG IVYGEPAS 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 33 V HA 0.000 nan 4.120 nan 0.000 0.244 33 V C 0.000 176.176 176.094 0.137 0.000 1.182 33 V CA 0.000 62.375 62.300 0.125 0.000 1.235 33 V CB 0.000 31.912 31.823 0.148 0.000 1.184 34 T N 3.053 117.693 114.554 0.144 0.000 2.912 34 T HA 0.814 5.461 4.350 0.495 0.000 0.280 34 T C -0.010 174.779 174.700 0.148 0.000 0.989 34 T CA -0.528 61.648 62.100 0.126 0.000 0.995 34 T CB 1.706 70.635 68.868 0.102 0.000 1.077 34 T HN 0.881 nan 8.240 nan 0.000 0.531 35 S N 0.446 116.217 115.700 0.120 0.000 2.537 35 S HA 0.678 5.445 4.470 0.495 0.000 0.301 35 S C -0.103 174.573 174.600 0.127 0.000 1.092 35 S CA -0.859 57.411 58.200 0.116 0.000 1.048 35 S CB 1.354 64.606 63.200 0.087 0.000 1.053 35 S HN 0.961 nan 8.310 nan 0.000 0.501 36 V N 0.334 120.343 119.914 0.158 0.000 2.513 36 V HA 0.682 5.099 4.120 0.495 0.000 0.299 36 V C -2.713 173.531 176.094 0.251 0.000 1.035 36 V CA -2.824 59.593 62.300 0.195 0.000 0.889 36 V CB 1.006 32.975 31.823 0.244 0.000 0.988 36 V HN 0.654 nan 8.190 nan 0.000 0.440 37 P HA 0.283 nan 4.420 nan 0.000 0.267 37 P C -1.536 175.888 177.300 0.206 0.000 1.205 37 P CA 0.399 63.601 63.100 0.169 0.000 0.765 37 P CB 0.263 32.008 31.700 0.075 0.000 0.828 38 Y N 1.245 121.514 120.300 -0.052 0.000 2.524 38 Y HA 0.425 5.272 4.550 0.495 0.000 0.344 38 Y C 0.759 176.441 175.900 -0.363 0.000 1.012 38 Y CA -0.905 57.032 58.100 -0.272 0.000 1.068 38 Y CB 2.404 40.621 38.460 -0.405 0.000 1.249 38 Y HN 0.254 nan 8.280 nan 0.000 0.468 39 K N 2.395 122.521 120.400 -0.457 0.000 2.213 39 K HA 0.403 5.020 4.320 0.495 0.000 0.270 39 K C -1.889 174.350 176.600 -0.601 0.000 1.002 39 K CA -0.311 55.749 56.287 -0.379 0.000 0.868 39 K CB 0.678 33.008 32.500 -0.284 0.000 1.093 39 K HN 0.614 nan 8.250 nan 0.000 0.454 40 W N 2.995 124.188 121.300 -0.178 0.000 2.573 40 W HA 0.383 5.340 4.660 0.496 0.000 0.326 40 W C -0.267 176.204 176.519 -0.081 0.000 1.049 40 W CA -0.199 57.072 57.345 -0.122 0.000 1.220 40 W CB 1.695 31.178 29.460 0.039 0.000 1.373 40 W HN 0.595 nan 8.180 nan 0.000 0.507 41 D N 0.700 121.124 120.400 0.041 0.000 2.639 41 D HA 0.199 5.136 4.640 0.495 0.000 0.271 41 D C -1.140 175.233 176.300 0.122 0.000 1.254 41 D CA -0.653 53.380 54.000 0.053 0.000 0.810 41 D CB 1.574 42.327 40.800 -0.080 0.000 1.351 41 D HN 0.189 nan 8.370 nan 0.000 0.427 42 N N 0.256 119.076 118.700 0.200 0.000 2.514 42 N HA 0.237 5.274 4.740 0.495 0.000 0.277 42 N C -0.413 175.276 175.510 0.299 0.000 1.126 42 N CA -0.211 52.963 53.050 0.207 0.000 0.978 42 N CB 1.477 40.068 38.487 0.173 0.000 1.106 42 N HN 0.140 nan 8.380 nan 0.000 0.461 43 V N 2.463 122.522 119.914 0.241 0.000 2.655 43 V HA 0.017 4.434 4.120 0.495 0.000 0.300 43 V C 0.546 176.667 176.094 0.046 0.000 1.044 43 V CA -0.377 61.955 62.300 0.053 0.000 1.095 43 V CB 1.116 32.845 31.823 -0.158 0.000 0.952 43 V HN 0.279 nan 8.190 nan 0.000 0.485 44 V N 7.065 127.014 119.914 0.058 0.000 2.455 44 V HA 0.202 4.619 4.120 0.495 0.000 0.273 44 V C 0.881 176.997 176.094 0.037 0.000 1.045 44 V CA 0.300 62.639 62.300 0.065 0.000 0.976 44 V CB 0.867 32.728 31.823 0.064 0.000 0.993 44 V HN 0.743 nan 8.190 nan 0.000 0.475 45 I N 2.951 123.520 120.570 -0.003 0.000 3.172 45 I HA 0.404 4.872 4.170 0.495 0.000 0.278 45 I C 1.172 177.303 176.117 0.023 0.000 1.174 45 I CA 0.882 62.080 61.300 -0.171 0.000 1.445 45 I CB 0.117 37.983 38.000 -0.223 0.000 1.175 45 I HN 0.890 nan 8.210 nan 0.000 0.447 46 G N 0.447 109.322 108.800 0.125 0.000 2.777 46 G HA2 0.134 4.391 3.960 0.495 0.000 0.686 46 G HA3 0.134 4.391 3.960 0.495 0.000 0.686 46 G C 0.563 175.634 174.900 0.285 0.000 1.177 46 G CA -0.491 44.712 45.100 0.172 0.000 0.775 46 G HN 0.878 nan 8.290 nan 0.000 0.613 47 G N -0.253 108.628 108.800 0.135 0.000 2.153 47 G HA2 0.340 4.597 3.960 0.495 0.000 0.252 47 G HA3 0.340 4.597 3.960 0.495 0.000 0.252 47 G C 1.724 176.711 174.900 0.145 0.000 0.994 47 G CA 0.909 46.051 45.100 0.070 0.000 0.698 47 G HN 3.214 nan 8.290 nan 0.000 0.521 48 G N -0.682 108.200 108.800 0.136 0.000 5.155 48 G HA2 0.226 4.483 3.960 0.495 0.000 0.239 48 G HA3 0.226 4.483 3.960 0.495 0.000 0.239 48 G C 1.572 176.575 174.900 0.171 0.000 1.409 48 G CA 2.130 47.282 45.100 0.088 0.000 0.927 48 G HN 2.574 nan 8.290 nan 0.000 0.710 49 G N -0.769 108.202 108.800 0.284 0.000 2.194 49 G HA2 0.339 4.596 3.960 0.495 0.000 0.236 49 G HA3 0.339 4.596 3.960 0.495 0.000 0.236 49 G C 1.495 176.518 174.900 0.204 0.000 0.987 49 G CA 1.071 46.298 45.100 0.211 0.000 0.635 49 G HN 2.413 nan 8.290 nan 0.000 0.520 50 G N -1.184 107.741 108.800 0.209 0.000 3.135 50 G HA2 0.718 4.975 3.960 0.495 0.000 0.278 50 G HA3 0.718 4.975 3.960 0.495 0.000 0.278 50 G C -0.761 174.316 174.900 0.294 0.000 1.302 50 G CA -0.354 44.892 45.100 0.243 0.000 0.880 50 G HN 0.632 nan 8.290 nan 0.000 0.574 54 G N 0.419 109.145 108.800 -0.123 0.000 2.733 54 G HA2 0.701 4.958 3.960 0.495 0.000 0.297 54 G HA3 0.701 4.958 3.960 0.495 0.000 0.297 54 G C -1.621 173.287 174.900 0.014 0.000 1.422 54 G CA -0.467 44.645 45.100 0.020 0.000 0.942 54 G HN 0.031 nan 8.290 nan 0.000 0.510 55 I N 0.789 121.405 120.570 0.077 0.000 2.509 55 I HA 0.525 4.992 4.170 0.495 0.000 0.293 55 I C -0.666 175.554 176.117 0.171 0.000 1.020 55 I CA -1.174 60.180 61.300 0.090 0.000 1.088 55 I CB 2.585 40.641 38.000 0.093 0.000 1.267 55 I HN 0.168 nan 8.210 nan 0.000 0.430 56 V N 6.074 126.100 119.914 0.188 0.000 2.482 56 V HA 0.393 4.810 4.120 0.495 0.000 0.295 56 V C -0.594 175.647 176.094 0.245 0.000 1.026 56 V CA -0.586 61.870 62.300 0.260 0.000 0.856 56 V CB 1.424 33.407 31.823 0.267 0.000 1.001 56 V HN 0.393 nan 8.190 nan 0.000 0.424 57 F N 3.060 123.142 119.950 0.220 0.000 2.384 57 F HA 0.360 5.184 4.527 0.495 0.000 0.338 57 F C 1.048 176.999 175.800 0.251 0.000 1.103 57 F CA -0.026 58.103 58.000 0.215 0.000 1.157 57 F CB 0.918 40.012 39.000 0.157 0.000 1.167 57 F HN 0.476 nan 8.300 nan 0.000 0.529 58 N N 2.598 121.569 118.700 0.452 0.000 2.518 58 N HA -0.027 5.011 4.740 0.495 0.000 0.266 58 N C 0.611 176.378 175.510 0.429 0.000 1.196 58 N CA 0.036 53.321 53.050 0.392 0.000 0.947 58 N CB 0.883 39.571 38.487 0.334 0.000 1.098 58 N HN 0.666 nan 8.380 nan 0.000 0.450 59 E N 1.273 121.672 120.200 0.332 0.000 2.358 59 E HA -0.072 4.575 4.350 0.495 0.000 0.195 59 E C 1.137 177.953 176.600 0.360 0.000 1.010 59 E CA 1.082 57.639 56.400 0.262 0.000 0.856 59 E CB 0.251 30.055 29.700 0.172 0.000 0.795 59 E HN 0.795 nan 8.360 nan 0.000 0.504 60 T N -2.594 112.213 114.554 0.422 0.000 2.987 60 T HA 0.094 4.741 4.350 0.495 0.000 0.248 60 T C 0.768 175.644 174.700 0.295 0.000 0.997 60 T CA -0.322 62.037 62.100 0.431 0.000 1.013 60 T CB 0.410 69.416 68.868 0.230 0.000 1.077 60 T HN -0.070 nan 8.240 nan 0.000 0.483 61 E N 1.837 122.127 120.200 0.151 0.000 2.109 61 E HA 0.328 4.975 4.350 0.495 0.000 0.278 61 E C -0.503 175.914 176.600 -0.304 0.000 0.954 61 E CA -0.651 55.683 56.400 -0.111 0.000 0.779 61 E CB 0.928 30.625 29.700 -0.004 0.000 1.093 61 E HN 0.260 nan 8.360 nan 0.000 0.401 62 K N 3.682 123.592 120.400 -0.816 0.000 2.485 62 K HA -0.095 4.522 4.320 0.495 0.000 0.277 62 K C -0.396 176.118 176.600 -0.143 0.000 0.990 62 K CA 0.585 56.476 56.287 -0.660 0.000 0.994 62 K CB 0.349 32.459 32.500 -0.651 0.000 0.906 62 K HN 0.628 nan 8.250 nan 0.000 0.488 63 D N 0.577 121.010 120.400 0.055 0.000 3.028 63 D HA -0.215 4.722 4.640 0.495 0.000 0.207 63 D C -0.570 175.793 176.300 0.104 0.000 1.100 63 D CA 0.809 54.886 54.000 0.128 0.000 0.995 63 D CB -0.846 40.013 40.800 0.098 0.000 1.108 63 D HN 0.280 nan 8.370 nan 0.000 0.421 64 L N 1.561 122.829 121.223 0.075 0.000 2.259 64 L HA 0.470 5.107 4.340 0.495 0.000 0.288 64 L C -0.275 176.580 176.870 -0.025 0.000 1.051 64 L CA -0.226 54.627 54.840 0.021 0.000 0.824 64 L CB 0.294 42.402 42.059 0.082 0.000 1.206 64 L HN 0.026 nan 8.230 nan 0.000 0.429 65 I N 4.365 124.811 120.570 -0.206 0.000 2.647 65 I HA 0.416 4.884 4.170 0.495 0.000 0.295 65 I C -1.197 174.848 176.117 -0.119 0.000 1.078 65 I CA -0.789 60.343 61.300 -0.280 0.000 1.048 65 I CB 1.898 39.486 38.000 -0.686 0.000 1.239 65 I HN 0.343 nan 8.210 nan 0.000 0.421 66 Y N 2.787 123.232 120.300 0.242 0.000 2.524 66 Y HA 0.825 5.672 4.550 0.495 0.000 0.344 66 Y C 0.062 176.105 175.900 0.238 0.000 1.012 66 Y CA -0.913 57.406 58.100 0.366 0.000 1.068 66 Y CB 2.311 40.922 38.460 0.252 0.000 1.249 66 Y HN 0.645 nan 8.280 nan 0.000 0.468 67 A N 2.498 125.465 122.820 0.245 0.000 2.393 67 A HA 0.814 5.432 4.320 0.495 0.000 0.306 67 A C -1.123 176.481 177.584 0.034 0.000 1.050 67 A CA -1.045 50.926 52.037 -0.110 0.000 0.724 67 A CB 1.236 19.747 19.000 -0.815 0.000 1.248 67 A HN 0.827 nan 8.150 nan 0.000 0.424 68 R N 1.357 121.856 120.500 -0.001 0.000 2.664 68 R HA 0.857 5.494 4.340 0.495 0.000 0.286 68 R C -0.310 175.963 176.300 -0.045 0.000 0.967 68 R CA -0.305 55.803 56.100 0.013 0.000 0.933 68 R CB 1.817 32.122 30.300 0.007 0.000 1.146 68 R HN 0.838 nan 8.270 nan 0.000 0.468 69 A N 1.448 124.266 122.820 -0.002 0.000 2.337 69 A HA 0.300 4.917 4.320 0.495 0.000 0.331 69 A C -0.041 177.520 177.584 -0.038 0.000 1.137 69 A CA -0.725 51.305 52.037 -0.012 0.000 0.807 69 A CB 1.252 20.314 19.000 0.103 0.000 1.250 69 A HN 0.946 nan 8.150 nan 0.000 0.468 70 D N 0.379 120.753 120.400 -0.043 0.000 2.162 70 D HA -0.129 4.808 4.640 0.495 0.000 0.203 70 D C 1.083 177.365 176.300 -0.029 0.000 0.967 70 D CA 1.795 55.778 54.000 -0.028 0.000 0.840 70 D CB -0.224 40.603 40.800 0.045 0.000 0.972 70 D HN 0.592 nan 8.370 nan 0.000 0.482 71 I N -4.673 115.916 120.570 0.032 0.000 4.338 71 I HA 0.532 5.000 4.170 0.495 0.000 0.329 71 I C 1.162 177.337 176.117 0.097 0.000 1.378 71 I CA -0.244 61.074 61.300 0.030 0.000 1.170 71 I CB 1.054 39.123 38.000 0.116 0.000 1.206 71 I HN -0.016 nan 8.210 nan 0.000 0.432 72 G N 0.914 109.797 108.800 0.139 0.000 3.993 72 G HA2 0.583 4.840 3.960 0.495 0.000 0.294 72 G HA3 0.583 4.840 3.960 0.495 0.000 0.294 72 G C 0.624 175.693 174.900 0.282 0.000 1.043 72 G CA 0.118 45.346 45.100 0.213 0.000 0.839 72 G HN 0.749 nan 8.290 nan 0.000 0.516 73 G N -0.201 108.758 108.800 0.265 0.000 2.553 73 G HA2 0.355 4.612 3.960 0.495 0.000 0.242 73 G HA3 0.355 4.612 3.960 0.495 0.000 0.242 73 G C 0.084 174.994 174.900 0.015 0.000 1.277 73 G CA -0.102 45.066 45.100 0.114 0.000 0.910 73 G HN 1.651 nan 8.290 nan 0.000 0.576 74 A N -1.488 121.287 122.820 -0.076 0.000 2.515 74 A HA 0.908 5.525 4.320 0.495 0.000 0.296 74 A C -1.261 176.290 177.584 -0.055 0.000 1.094 74 A CA -0.416 51.641 52.037 0.033 0.000 0.718 74 A CB 1.472 20.525 19.000 0.088 0.000 1.307 74 A HN 1.501 nan 8.150 nan 0.000 0.408 75 Y N -0.336 120.097 120.300 0.222 0.000 2.545 75 Y HA 0.700 5.547 4.550 0.495 0.000 0.348 75 Y C 0.293 176.500 175.900 0.512 0.000 1.002 75 Y CA -0.587 57.715 58.100 0.338 0.000 1.039 75 Y CB 2.163 40.782 38.460 0.264 0.000 1.271 75 Y HN 0.786 nan 8.280 nan 0.000 0.467 76 R N 2.082 122.943 120.500 0.602 0.000 2.514 76 R HA 0.216 4.853 4.340 0.495 0.000 0.301 76 R C -1.137 175.339 176.300 0.294 0.000 0.962 76 R CA -0.660 55.601 56.100 0.268 0.000 0.882 76 R CB 1.173 31.469 30.300 -0.006 0.000 1.143 76 R HN 0.902 nan 8.270 nan 0.000 0.452 77 W N 4.851 125.983 121.300 -0.279 0.000 2.216 77 W HA 0.037 4.995 4.660 0.497 0.000 0.326 77 W C -0.778 175.511 176.519 -0.384 0.000 1.319 77 W CA 0.214 57.143 57.345 -0.693 0.000 1.213 77 W CB 0.971 29.895 29.460 -0.893 0.000 1.171 77 W HN 0.518 nan 8.180 nan 0.000 0.557 78 D N 8.071 127.948 120.400 -0.870 0.000 2.460 78 D HA 0.189 5.126 4.640 0.495 0.000 0.232 78 D C -1.382 174.261 176.300 -1.096 0.000 1.079 78 D CA -2.403 51.172 54.000 -0.709 0.000 0.864 78 D CB 1.629 42.155 40.800 -0.456 0.000 1.048 78 D HN 0.115 nan 8.370 nan 0.000 0.523 79 P HA -0.108 nan 4.420 nan 0.000 0.225 79 P C 1.206 178.332 177.300 -0.290 0.000 1.156 79 P CA 0.575 63.411 63.100 -0.441 0.000 0.787 79 P CB 0.231 31.912 31.700 -0.031 0.000 0.802 80 S N -0.132 115.404 115.700 -0.273 0.000 2.402 80 S HA -0.080 4.687 4.470 0.495 0.000 0.229 80 S C 1.734 176.217 174.600 -0.196 0.000 1.021 80 S CA 1.804 59.895 58.200 -0.181 0.000 0.974 80 S CB -1.725 61.388 63.200 -0.145 0.000 0.800 80 S HN 0.320 nan 8.310 nan 0.000 0.484 81 T N -2.202 112.174 114.554 -0.296 0.000 3.040 81 T HA 0.386 5.033 4.350 0.495 0.000 0.266 81 T C 0.086 174.581 174.700 -0.341 0.000 1.005 81 T CA 0.036 61.981 62.100 -0.259 0.000 0.906 81 T CB -0.374 68.367 68.868 -0.213 0.000 1.082 81 T HN 0.410 nan 8.240 nan 0.000 0.531 82 E N 1.700 121.553 120.200 -0.578 0.000 2.416 82 E HA -0.161 4.486 4.350 0.495 0.000 0.249 82 E C -0.327 175.777 176.600 -0.828 0.000 1.124 82 E CA 0.758 56.717 56.400 -0.736 0.000 0.732 82 E CB -1.880 27.741 29.700 -0.132 0.000 1.286 82 E HN 0.885 nan 8.360 nan 0.000 0.394 83 T N -3.528 110.405 114.554 -1.034 0.000 2.901 83 T HA 0.663 5.310 4.350 0.495 0.000 0.293 83 T C -0.476 173.867 174.700 -0.595 0.000 1.084 83 T CA -0.895 60.878 62.100 -0.545 0.000 1.008 83 T CB 1.285 70.021 68.868 -0.219 0.000 1.170 83 T HN 0.235 nan 8.240 nan 0.000 0.509 84 W N 0.402 121.669 121.300 -0.055 0.000 2.551 84 W HA 0.722 5.679 4.660 0.494 0.000 0.330 84 W C -0.501 176.162 176.519 0.241 0.000 1.063 84 W CA -1.074 56.343 57.345 0.120 0.000 1.222 84 W CB 1.284 30.773 29.460 0.048 0.000 1.349 84 W HN 0.553 nan 8.180 nan 0.000 0.536 85 I N 5.503 126.411 120.570 0.564 0.000 2.355 85 I HA 0.258 4.725 4.170 0.495 0.000 0.288 85 I C -1.952 174.390 176.117 0.375 0.000 0.999 85 I CA -2.404 59.131 61.300 0.391 0.000 1.163 85 I CB 1.450 39.563 38.000 0.189 0.000 1.316 85 I HN -0.037 nan 8.210 nan 0.000 0.454 86 P HA 0.149 nan 4.420 nan 0.000 0.276 86 P C 0.061 177.343 177.300 -0.029 0.000 1.230 86 P CA -0.054 62.906 63.100 -0.234 0.000 0.776 86 P CB 1.429 33.057 31.700 -0.119 0.000 0.888 87 L N 2.120 123.326 121.223 -0.028 0.000 2.672 87 L HA 0.238 4.876 4.340 0.495 0.000 0.236 87 L C 1.560 178.530 176.870 0.166 0.000 1.092 87 L CA 0.351 55.301 54.840 0.183 0.000 0.887 87 L CB 0.040 42.334 42.059 0.391 0.000 1.168 87 L HN 0.305 nan 8.230 nan 0.000 0.502 88 L N -0.806 120.387 121.223 -0.050 0.000 3.014 88 L HA 0.183 4.821 4.340 0.495 0.000 0.263 88 L C 0.662 177.313 176.870 -0.366 0.000 1.207 88 L CA -0.163 54.514 54.840 -0.271 0.000 1.017 88 L CB 0.315 42.152 42.059 -0.370 0.000 1.360 88 L HN 0.031 nan 8.230 nan 0.000 0.560 89 D N 0.117 120.428 120.400 -0.148 0.000 2.350 89 D HA -0.149 4.788 4.640 0.495 0.000 0.216 89 D C 1.828 177.908 176.300 -0.367 0.000 0.968 89 D CA 1.033 54.912 54.000 -0.202 0.000 0.894 89 D CB 0.027 40.612 40.800 -0.359 0.000 0.909 89 D HN 0.607 nan 8.370 nan 0.000 0.520 90 H N -1.241 117.566 119.070 -0.438 0.000 2.491 90 H HA -0.027 4.826 4.556 0.495 0.000 0.290 90 H C 0.237 175.387 175.328 -0.297 0.000 1.050 90 H CA 0.116 55.912 56.048 -0.419 0.000 1.309 90 H CB -0.555 28.946 29.762 -0.436 0.000 1.392 90 H HN -0.094 nan 8.280 nan 0.000 0.554 91 F N 3.297 122.804 119.950 -0.738 0.000 2.541 91 F HA 0.091 4.915 4.527 0.495 0.000 0.378 91 F C 0.836 176.605 175.800 -0.052 0.000 1.068 91 F CA -0.278 57.455 58.000 -0.445 0.000 1.199 91 F CB 0.436 39.076 39.000 -0.599 0.000 1.091 91 F HN 0.298 nan 8.300 nan 0.000 0.555 95 E N -0.110 120.081 120.200 -0.015 0.000 2.995 95 E HA 0.095 4.742 4.350 0.495 0.000 0.203 95 E C 0.228 176.703 176.600 -0.208 0.000 0.980 95 E CA -0.472 55.789 56.400 -0.233 0.000 1.172 95 E CB 0.466 30.087 29.700 -0.131 0.000 1.088 95 E HN 0.132 nan 8.360 nan 0.000 0.463 96 Y N 1.303 121.543 120.300 -0.100 0.000 2.207 96 Y HA -0.282 4.566 4.550 0.496 0.000 0.287 96 Y C 2.358 178.239 175.900 -0.032 0.000 1.156 96 Y CA 1.878 60.010 58.100 0.054 0.000 1.182 96 Y CB -0.249 38.211 38.460 0.000 0.000 0.979 96 Y HN 0.090 nan 8.280 nan 0.000 0.521 97 S N -0.571 114.860 115.700 -0.448 0.000 2.392 97 S HA -0.262 4.505 4.470 0.495 0.000 0.232 97 S C 1.604 175.874 174.600 -0.551 0.000 1.041 97 S CA 1.733 59.586 58.200 -0.578 0.000 1.026 97 S CB -0.696 62.153 63.200 -0.586 0.000 0.845 97 S HN 0.630 nan 8.310 nan 0.000 0.465 98 Y N -0.071 119.859 120.300 -0.618 0.000 2.578 98 Y HA 0.153 5.000 4.550 0.495 0.000 0.297 98 Y C 1.323 176.791 175.900 -0.719 0.000 1.176 98 Y CA -0.502 57.077 58.100 -0.869 0.000 1.315 98 Y CB -1.077 36.366 38.460 -1.695 0.000 1.031 98 Y HN 0.426 nan 8.280 nan 0.000 0.524 99 Y N -0.593 119.503 120.300 -0.340 0.000 2.544 99 Y HA 0.188 5.035 4.550 0.495 0.000 0.286 99 Y C 1.886 177.643 175.900 -0.239 0.000 1.141 99 Y CA 0.010 57.981 58.100 -0.215 0.000 1.299 99 Y CB -0.051 38.313 38.460 -0.161 0.000 1.030 99 Y HN -0.022 nan 8.280 nan 0.000 0.543 100 G N 1.012 109.690 108.800 -0.204 0.000 2.444 100 G HA2 0.366 4.623 3.960 0.495 0.000 0.303 100 G HA3 0.366 4.623 3.960 0.495 0.000 0.303 100 G C -0.794 174.011 174.900 -0.159 0.000 1.032 100 G CA -0.213 44.760 45.100 -0.211 0.000 1.137 100 G HN -0.021 nan 8.290 nan 0.000 0.430 101 V N 3.285 123.132 119.914 -0.112 0.000 2.304 101 V HA 0.131 4.548 4.120 0.495 0.000 0.269 101 V C 1.192 177.240 176.094 -0.077 0.000 1.036 101 V CA -0.325 61.916 62.300 -0.098 0.000 0.840 101 V CB 0.979 32.760 31.823 -0.071 0.000 1.036 101 V HN 0.967 nan 8.190 nan 0.000 0.466 102 E N 3.615 123.766 120.200 -0.082 0.000 2.106 102 E HA -0.053 4.594 4.350 0.495 0.000 0.192 102 E C 0.904 177.491 176.600 -0.022 0.000 0.984 102 E CA 1.079 57.445 56.400 -0.057 0.000 0.806 102 E CB 0.301 29.960 29.700 -0.069 0.000 0.750 102 E HN 0.645 nan 8.360 nan 0.000 0.458 103 S N -1.357 114.334 115.700 -0.014 0.000 2.547 103 S HA 0.514 5.281 4.470 0.495 0.000 0.270 103 S C -1.795 172.834 174.600 0.047 0.000 1.150 103 S CA -0.865 57.355 58.200 0.034 0.000 0.850 103 S CB 1.005 64.237 63.200 0.053 0.000 1.118 103 S HN 0.242 nan 8.310 nan 0.000 0.461 104 I N 2.617 123.239 120.570 0.087 0.000 2.619 104 I HA 0.842 5.310 4.170 0.495 0.000 0.292 104 I C -1.004 175.192 176.117 0.133 0.000 1.100 104 I CA -0.496 60.859 61.300 0.093 0.000 1.043 104 I CB 1.752 39.794 38.000 0.071 0.000 1.239 104 I HN 0.814 nan 8.210 nan 0.000 0.420 105 A N 4.436 127.351 122.820 0.158 0.000 2.356 105 A HA 0.696 5.313 4.320 0.495 0.000 0.310 105 A C -0.760 176.935 177.584 0.185 0.000 1.075 105 A CA -0.504 51.660 52.037 0.212 0.000 0.746 105 A CB 1.702 20.864 19.000 0.269 0.000 1.221 105 A HN 0.608 nan 8.150 nan 0.000 0.443 106 T N 1.237 115.898 114.554 0.177 0.000 2.779 106 T HA 0.367 5.015 4.350 0.495 0.000 0.280 106 T C -0.861 173.979 174.700 0.232 0.000 0.987 106 T CA -0.456 61.744 62.100 0.166 0.000 0.966 106 T CB 0.590 69.601 68.868 0.238 0.000 0.933 106 T HN 0.647 nan 8.240 nan 0.000 0.442 107 D N 5.802 126.339 120.400 0.228 0.000 2.371 107 D HA 0.174 5.111 4.640 0.495 0.000 0.256 107 D C -1.341 175.069 176.300 0.184 0.000 1.193 107 D CA -1.954 52.179 54.000 0.221 0.000 0.881 107 D CB 1.856 42.796 40.800 0.234 0.000 1.143 107 D HN 0.327 nan 8.370 nan 0.000 0.473 108 P HA -0.050 nan 4.420 nan 0.000 0.227 108 P C 1.369 178.744 177.300 0.124 0.000 1.161 108 P CA 0.161 63.354 63.100 0.155 0.000 0.788 108 P CB 0.625 32.411 31.700 0.144 0.000 0.822 109 V N 0.207 120.186 119.914 0.109 0.000 2.379 109 V HA -0.002 4.415 4.120 0.495 0.000 0.243 109 V C 0.980 177.128 176.094 0.090 0.000 1.035 109 V CA 1.690 64.044 62.300 0.091 0.000 1.035 109 V CB -0.758 31.114 31.823 0.083 0.000 0.673 109 V HN 0.090 nan 8.190 nan 0.000 0.457 110 D N -0.448 120.014 120.400 0.103 0.000 2.438 110 D HA 0.286 5.224 4.640 0.495 0.000 0.257 110 D C -2.224 174.126 176.300 0.082 0.000 1.148 110 D CA -2.294 51.753 54.000 0.077 0.000 0.902 110 D CB 1.758 42.593 40.800 0.059 0.000 1.062 110 D HN 0.084 nan 8.370 nan 0.000 0.518 111 P HA -0.053 nan 4.420 nan 0.000 0.229 111 P C 0.869 178.218 177.300 0.083 0.000 1.150 111 P CA 0.515 63.681 63.100 0.109 0.000 0.765 111 P CB 0.299 32.061 31.700 0.103 0.000 0.783 112 N N -0.622 118.094 118.700 0.028 0.000 2.396 112 N HA -0.031 5.006 4.740 0.495 0.000 0.180 112 N C 0.687 176.154 175.510 -0.072 0.000 1.028 112 N CA 0.616 53.653 53.050 -0.022 0.000 0.893 112 N CB -0.086 38.367 38.487 -0.055 0.000 0.967 112 N HN 0.250 nan 8.380 nan 0.000 0.440 113 R N 0.428 120.895 120.500 -0.056 0.000 2.357 113 R HA 0.431 5.068 4.340 0.495 0.000 0.296 113 R C -0.668 175.538 176.300 -0.156 0.000 1.052 113 R CA -0.218 55.789 56.100 -0.155 0.000 0.988 113 R CB 2.026 32.292 30.300 -0.057 0.000 1.025 113 R HN -0.194 nan 8.270 nan 0.000 0.469 114 V N 4.367 124.051 119.914 -0.383 0.000 2.932 114 V HA 0.492 4.909 4.120 0.495 0.000 0.307 114 V C -1.857 174.031 176.094 -0.342 0.000 1.147 114 V CA -0.662 61.462 62.300 -0.294 0.000 0.951 114 V CB 1.868 33.466 31.823 -0.376 0.000 1.031 114 V HN 0.693 nan 8.190 nan 0.000 0.426 115 Y N 5.318 125.690 120.300 0.121 0.000 2.499 115 Y HA 0.750 5.598 4.550 0.497 0.000 0.347 115 Y C 0.003 175.990 175.900 0.146 0.000 0.987 115 Y CA -0.852 57.379 58.100 0.219 0.000 1.044 115 Y CB 2.272 40.859 38.460 0.212 0.000 1.245 115 Y HN 0.468 nan 8.280 nan 0.000 0.461 116 I N 2.163 122.880 120.570 0.245 0.000 2.533 116 I HA 0.340 4.807 4.170 0.495 0.000 0.290 116 I C -1.246 174.842 176.117 -0.048 0.000 1.056 116 I CA -1.094 60.221 61.300 0.025 0.000 1.057 116 I CB 2.232 40.121 38.000 -0.184 0.000 1.240 116 I HN 0.284 nan 8.210 nan 0.000 0.423 117 V N 6.007 125.877 119.914 -0.073 0.000 2.348 117 V HA 0.675 5.092 4.120 0.495 0.000 0.270 117 V C 0.136 176.127 176.094 -0.171 0.000 1.037 117 V CA -0.061 62.150 62.300 -0.148 0.000 0.872 117 V CB 1.149 32.895 31.823 -0.127 0.000 1.002 117 V HN 0.799 nan 8.190 nan 0.000 0.464 118 A N 4.753 127.432 122.820 -0.235 0.000 2.365 118 A HA 1.038 5.656 4.320 0.495 0.000 0.318 118 A C 0.129 177.655 177.584 -0.096 0.000 1.091 118 A CA 0.151 52.061 52.037 -0.212 0.000 0.763 118 A CB 1.768 20.560 19.000 -0.347 0.000 1.248 118 A HN 1.697 nan 8.150 nan 0.000 0.442 122 T N -2.628 111.948 114.554 0.036 0.000 3.129 122 T HA 0.145 4.793 4.350 0.495 0.000 0.251 122 T C 0.287 174.929 174.700 -0.097 0.000 1.117 122 T CA 0.588 62.666 62.100 -0.037 0.000 1.034 122 T CB -0.597 68.244 68.868 -0.046 0.000 0.968 122 T HN 0.593 nan 8.240 nan 0.000 0.526 123 N N 0.619 119.219 118.700 -0.168 0.000 2.992 123 N HA 0.324 5.361 4.740 0.495 0.000 0.338 123 N C -0.141 175.256 175.510 -0.189 0.000 1.376 123 N CA -0.868 52.013 53.050 -0.282 0.000 0.778 123 N CB 0.085 38.197 38.487 -0.625 0.000 1.232 123 N HN -0.243 nan 8.380 nan 0.000 0.581 124 D N -1.762 118.507 120.400 -0.218 0.000 2.339 124 D HA 0.087 5.025 4.640 0.495 0.000 0.217 124 D C 0.662 177.015 176.300 0.089 0.000 1.050 124 D CA 0.006 53.976 54.000 -0.051 0.000 0.856 124 D CB -0.208 40.578 40.800 -0.024 0.000 0.922 124 D HN 0.420 nan 8.370 nan 0.000 0.518 125 W N 0.787 122.050 121.300 -0.060 0.000 2.350 125 W HA 0.035 4.993 4.660 0.496 0.000 0.289 125 W C 0.667 177.186 176.519 -0.000 0.000 1.215 125 W CA 0.374 57.658 57.345 -0.102 0.000 1.236 125 W CB -0.483 28.767 29.460 -0.349 0.000 1.130 125 W HN -0.038 nan 8.180 nan 0.000 0.541 126 L N 0.583 121.966 121.223 0.266 0.000 2.381 126 L HA 0.233 4.870 4.340 0.495 0.000 0.268 126 L C -1.054 175.851 176.870 0.058 0.000 0.997 126 L CA -1.816 53.119 54.840 0.158 0.000 0.818 126 L CB 2.749 44.909 42.059 0.168 0.000 1.310 126 L HN -0.439 nan 8.230 nan 0.000 0.416 127 P HA -0.024 nan 4.420 nan 0.000 0.227 127 P C -0.056 177.211 177.300 -0.054 0.000 1.161 127 P CA 0.554 63.646 63.100 -0.014 0.000 0.788 127 P CB 0.189 31.884 31.700 -0.009 0.000 0.822 131 A N 0.589 123.186 122.820 -0.373 0.000 2.475 131 A HA 0.769 5.386 4.320 0.495 0.000 0.301 131 A C -0.846 176.482 177.584 -0.427 0.000 1.059 131 A CA -0.641 51.109 52.037 -0.478 0.000 0.710 131 A CB 1.391 19.921 19.000 -0.783 0.000 1.288 131 A HN 0.734 nan 8.150 nan 0.000 0.408 132 I N 2.903 123.269 120.570 -0.339 0.000 2.304 132 I HA 0.239 4.706 4.170 0.495 0.000 0.291 132 I C -0.382 175.715 176.117 -0.033 0.000 1.018 132 I CA -0.008 61.188 61.300 -0.174 0.000 1.260 132 I CB 0.601 38.550 38.000 -0.085 0.000 1.390 132 I HN 0.491 nan 8.210 nan 0.000 0.475 133 L N 7.842 129.048 121.223 -0.028 0.000 2.292 133 L HA 0.538 5.176 4.340 0.495 0.000 0.284 133 L C 0.308 177.404 176.870 0.377 0.000 1.065 133 L CA -0.716 54.166 54.840 0.071 0.000 0.806 133 L CB 0.598 42.481 42.059 -0.293 0.000 1.175 133 L HN 0.587 nan 8.230 nan 0.000 0.431 134 R N 1.769 122.530 120.500 0.435 0.000 2.575 134 R HA 0.719 5.356 4.340 0.495 0.000 0.293 134 R C -1.051 175.251 176.300 0.003 0.000 0.983 134 R CA -0.568 55.658 56.100 0.209 0.000 0.887 134 R CB 2.053 32.499 30.300 0.244 0.000 1.184 134 R HN 0.544 nan 8.270 nan 0.000 0.445 135 S N 0.465 115.933 115.700 -0.386 0.000 2.548 135 S HA 0.379 5.146 4.470 0.495 0.000 0.286 135 S C 0.283 174.592 174.600 -0.485 0.000 1.098 135 S CA -0.398 57.439 58.200 -0.606 0.000 0.930 135 S CB 1.929 64.353 63.200 -1.294 0.000 1.070 135 S HN 0.714 nan 8.310 nan 0.000 0.480 136 T N -0.604 113.723 114.554 -0.378 0.000 3.044 136 T HA 0.262 4.909 4.350 0.495 0.000 0.260 136 T C -0.101 174.457 174.700 -0.236 0.000 1.019 136 T CA 0.127 62.060 62.100 -0.278 0.000 0.921 136 T CB -0.295 68.439 68.868 -0.225 0.000 1.053 136 T HN 0.626 nan 8.240 nan 0.000 0.533 137 D N 0.765 120.992 120.400 -0.289 0.000 2.720 137 D HA 0.237 5.174 4.640 0.495 0.000 0.285 137 D C 0.497 176.669 176.300 -0.214 0.000 1.359 137 D CA -0.812 53.056 54.000 -0.221 0.000 0.818 137 D CB -0.240 40.431 40.800 -0.214 0.000 1.108 137 D HN 0.246 nan 8.370 nan 0.000 0.474 138 R N -0.323 120.049 120.500 -0.213 0.000 3.774 138 R HA -0.090 4.547 4.340 0.495 0.000 0.320 138 R C 1.005 177.255 176.300 -0.083 0.000 1.175 138 R CA 0.522 56.595 56.100 -0.045 0.000 0.849 138 R CB -2.025 28.304 30.300 0.048 0.000 1.365 138 R HN 0.590 nan 8.270 nan 0.000 0.502 139 G N -0.720 107.779 108.800 -0.501 0.000 2.157 139 G HA2 -0.280 3.977 3.960 0.495 0.000 0.239 139 G HA3 -0.280 3.977 3.960 0.495 0.000 0.239 139 G C 0.675 175.327 174.900 -0.412 0.000 0.982 139 G CA 0.270 44.952 45.100 -0.697 0.000 0.650 139 G HN 0.347 nan 8.290 nan 0.000 0.527 140 E N 0.252 120.237 120.200 -0.358 0.000 2.072 140 E HA -0.005 4.642 4.350 0.495 0.000 0.191 140 E C 1.632 178.035 176.600 -0.329 0.000 0.985 140 E CA 1.841 58.098 56.400 -0.238 0.000 0.801 140 E CB -0.121 29.472 29.700 -0.178 0.000 0.750 140 E HN 0.900 nan 8.360 nan 0.000 0.452 141 T N -2.707 111.533 114.554 -0.523 0.000 2.906 141 T HA 0.552 5.200 4.350 0.495 0.000 0.295 141 T C -1.197 173.060 174.700 -0.738 0.000 1.075 141 T CA -0.932 60.879 62.100 -0.482 0.000 1.005 141 T CB 1.421 70.110 68.868 -0.297 0.000 1.136 141 T HN 0.050 nan 8.240 nan 0.000 0.498 142 W N 0.239 121.369 121.300 -0.283 0.000 3.022 142 W HA 0.605 5.562 4.660 0.494 0.000 0.335 142 W C -0.163 176.258 176.519 -0.163 0.000 1.133 142 W CA -0.697 56.518 57.345 -0.217 0.000 1.219 142 W CB 1.838 31.157 29.460 -0.234 0.000 1.409 142 W HN 0.621 nan 8.180 nan 0.000 0.507 143 E N 2.267 122.553 120.200 0.143 0.000 2.232 143 E HA 0.516 5.163 4.350 0.495 0.000 0.264 143 E C -0.675 176.019 176.600 0.156 0.000 0.973 143 E CA -1.075 55.390 56.400 0.108 0.000 0.849 143 E CB 2.407 32.145 29.700 0.063 0.000 1.198 143 E HN 0.484 nan 8.360 nan 0.000 0.407 144 K N -0.582 119.879 120.400 0.102 0.000 2.508 144 K HA 0.535 5.152 4.320 0.495 0.000 0.260 144 K C -1.239 175.388 176.600 0.044 0.000 0.949 144 K CA -0.640 55.681 56.287 0.057 0.000 0.834 144 K CB 1.868 34.351 32.500 -0.029 0.000 1.365 144 K HN 0.227 nan 8.250 nan 0.000 0.437 145 T N 3.126 117.696 114.554 0.027 0.000 2.786 145 T HA 0.361 5.008 4.350 0.495 0.000 0.283 145 T C -0.065 174.582 174.700 -0.088 0.000 0.992 145 T CA -0.779 61.343 62.100 0.037 0.000 0.954 145 T CB 0.414 69.389 68.868 0.179 0.000 0.934 145 T HN 0.387 nan 8.240 nan 0.000 0.440 146 I N 4.037 124.555 120.570 -0.086 0.000 2.529 146 I HA 0.288 4.756 4.170 0.495 0.000 0.284 146 I C 0.396 176.380 176.117 -0.223 0.000 1.082 146 I CA -0.464 60.745 61.300 -0.152 0.000 1.406 146 I CB 0.249 38.203 38.000 -0.076 0.000 1.405 146 I HN 0.498 nan 8.210 nan 0.000 0.548 147 L N 7.455 128.433 121.223 -0.407 0.000 2.358 147 L HA 0.391 5.028 4.340 0.495 0.000 0.268 147 L C -1.499 175.030 176.870 -0.568 0.000 1.032 147 L CA -1.361 53.079 54.840 -0.666 0.000 0.805 147 L CB 0.860 42.137 42.059 -1.303 0.000 1.253 147 L HN 0.401 nan 8.230 nan 0.000 0.452 148 P HA 0.107 nan 4.420 nan 0.000 0.255 148 P C -0.948 176.271 177.300 -0.136 0.000 1.301 148 P CA 0.377 63.354 63.100 -0.204 0.000 0.817 148 P CB -0.182 31.538 31.700 0.034 0.000 1.259 149 F N -2.587 117.211 119.950 -0.253 0.000 2.715 149 F HA 0.660 5.485 4.527 0.497 0.000 0.318 149 F C -0.107 175.563 175.800 -0.216 0.000 1.141 149 F CA -1.643 56.221 58.000 -0.227 0.000 0.950 149 F CB 1.137 39.961 39.000 -0.292 0.000 1.374 149 F HN -0.497 nan 8.300 nan 0.000 0.477 153 G N 0.645 109.364 108.800 -0.135 0.000 2.507 153 G HA2 -0.179 4.078 3.960 0.495 0.000 0.221 153 G HA3 -0.179 4.078 3.960 0.495 0.000 0.221 153 G C 0.813 175.650 174.900 -0.105 0.000 1.119 153 G CA 1.385 46.407 45.100 -0.130 0.000 0.751 153 G HN 0.611 nan 8.290 nan 0.000 0.574 157 G N 1.817 110.690 108.800 0.121 0.000 2.143 157 G HA2 -0.320 3.937 3.960 0.495 0.000 0.248 157 G HA3 -0.320 3.937 3.960 0.495 0.000 0.248 157 G C 0.990 175.927 174.900 0.062 0.000 0.991 157 G CA 0.755 45.892 45.100 0.062 0.000 0.689 157 G HN 0.930 nan 8.290 nan 0.000 0.522 158 R N 0.425 121.004 120.500 0.131 0.000 2.193 158 R HA 0.075 4.712 4.340 0.495 0.000 0.229 158 R C 1.723 178.074 176.300 0.084 0.000 1.110 158 R CA 1.411 57.569 56.100 0.096 0.000 0.988 158 R CB -0.560 29.804 30.300 0.107 0.000 0.871 158 R HN 0.885 nan 8.270 nan 0.000 0.458 162 E N 0.242 120.600 120.200 0.263 0.000 2.259 162 E HA 0.294 4.942 4.350 0.495 0.000 0.281 162 E C 1.081 177.817 176.600 0.227 0.000 1.027 162 E CA -0.493 56.040 56.400 0.221 0.000 0.838 162 E CB 2.103 31.932 29.700 0.215 0.000 1.066 162 E HN 0.524 nan 8.360 nan 0.000 0.401 163 R N 1.039 121.632 120.500 0.155 0.000 2.115 163 R HA -0.053 4.584 4.340 0.495 0.000 0.230 163 R C 0.671 177.052 176.300 0.136 0.000 1.111 163 R CA 0.542 56.710 56.100 0.113 0.000 0.976 163 R CB 0.025 30.349 30.300 0.040 0.000 0.870 163 R HN 0.196 nan 8.270 nan 0.000 0.445 164 L N 0.395 121.711 121.223 0.155 0.000 2.295 164 L HA 0.509 5.146 4.340 0.495 0.000 0.285 164 L C -0.983 176.046 176.870 0.265 0.000 1.035 164 L CA -0.367 54.593 54.840 0.200 0.000 0.806 164 L CB 1.546 43.697 42.059 0.153 0.000 1.214 164 L HN -0.001 nan 8.230 nan 0.000 0.426 165 A N 5.650 128.678 122.820 0.347 0.000 2.486 165 A HA 0.761 5.378 4.320 0.495 0.000 0.300 165 A C -1.216 176.675 177.584 0.511 0.000 1.048 165 A CA -0.514 51.788 52.037 0.443 0.000 0.696 165 A CB 0.995 20.296 19.000 0.502 0.000 1.278 165 A HN 0.616 nan 8.150 nan 0.000 0.405 166 I N 1.723 122.510 120.570 0.361 0.000 2.359 166 I HA 0.214 4.681 4.170 0.495 0.000 0.294 166 I C -0.120 175.841 176.117 -0.260 0.000 0.987 166 I CA -0.579 60.790 61.300 0.115 0.000 1.225 166 I CB 1.537 39.602 38.000 0.109 0.000 1.366 166 I HN 0.648 nan 8.210 nan 0.000 0.466 167 D N 9.168 129.181 120.400 -0.646 0.000 2.451 167 D HA 0.008 4.945 4.640 0.495 0.000 0.254 167 D C -1.574 174.424 176.300 -0.504 0.000 1.204 167 D CA -1.338 51.961 54.000 -1.169 0.000 0.896 167 D CB 1.294 41.724 40.800 -0.616 0.000 1.136 167 D HN 0.285 nan 8.370 nan 0.000 0.499 168 P HA 0.026 nan 4.420 nan 0.000 0.249 168 P C 0.164 177.423 177.300 -0.068 0.000 1.229 168 P CA 0.519 63.545 63.100 -0.123 0.000 0.788 168 P CB 0.466 32.149 31.700 -0.029 0.000 1.072 169 N N -0.681 117.959 118.700 -0.101 0.000 2.510 169 N HA 0.009 5.046 4.740 0.495 0.000 0.186 169 N C 0.127 175.608 175.510 -0.048 0.000 1.051 169 N CA 0.212 53.234 53.050 -0.045 0.000 0.877 169 N CB 0.288 38.760 38.487 -0.025 0.000 1.183 169 N HN -0.082 nan 8.380 nan 0.000 0.443 170 D N 0.297 120.644 120.400 -0.089 0.000 2.378 170 D HA 0.064 5.001 4.640 0.495 0.000 0.265 170 D C -0.226 175.996 176.300 -0.129 0.000 1.229 170 D CA -0.391 53.556 54.000 -0.088 0.000 0.914 170 D CB -0.113 40.638 40.800 -0.082 0.000 1.140 170 D HN 0.127 nan 8.370 nan 0.000 0.516 171 N N 2.488 121.144 118.700 -0.073 0.000 2.609 171 N HA -0.134 4.903 4.740 0.495 0.000 0.190 171 N C 1.025 176.448 175.510 -0.144 0.000 1.157 171 N CA 0.202 53.231 53.050 -0.036 0.000 0.918 171 N CB -0.150 38.404 38.487 0.112 0.000 0.978 171 N HN 0.359 nan 8.380 nan 0.000 0.448 172 R N -0.123 120.132 120.500 -0.408 0.000 2.189 172 R HA 0.174 4.811 4.340 0.495 0.000 0.223 172 R C 0.363 176.377 176.300 -0.477 0.000 1.092 172 R CA 0.571 56.182 56.100 -0.815 0.000 0.989 172 R CB 0.007 29.874 30.300 -0.723 0.000 0.876 172 R HN 0.291 nan 8.270 nan 0.000 0.457 173 I N 1.727 122.114 120.570 -0.304 0.000 2.331 173 I HA 0.199 4.667 4.170 0.495 0.000 0.292 173 I C -0.770 175.245 176.117 -0.169 0.000 0.998 173 I CA -0.632 60.524 61.300 -0.240 0.000 1.267 173 I CB 1.267 39.203 38.000 -0.106 0.000 1.386 173 I HN -0.130 nan 8.210 nan 0.000 0.476 174 L N 6.961 128.037 121.223 -0.245 0.000 2.370 174 L HA 0.517 5.154 4.340 0.495 0.000 0.266 174 L C -1.010 175.857 176.870 -0.006 0.000 1.002 174 L CA -0.409 54.406 54.840 -0.041 0.000 0.818 174 L CB 1.660 43.631 42.059 -0.148 0.000 1.325 174 L HN 0.306 nan 8.230 nan 0.000 0.418 175 Y N 2.144 122.652 120.300 0.348 0.000 2.468 175 Y HA 0.762 5.614 4.550 0.504 0.000 0.342 175 Y C -0.669 175.441 175.900 0.350 0.000 1.021 175 Y CA -0.737 57.564 58.100 0.335 0.000 1.079 175 Y CB 2.204 40.771 38.460 0.179 0.000 1.226 175 Y HN 0.393 nan 8.280 nan 0.000 0.460 176 L N 2.048 123.548 121.223 0.462 0.000 2.476 176 L HA 0.769 5.406 4.340 0.495 0.000 0.269 176 L C -0.439 176.492 176.870 0.102 0.000 0.965 176 L CA -0.233 54.740 54.840 0.223 0.000 0.845 176 L CB 1.614 43.685 42.059 0.020 0.000 1.259 176 L HN 0.668 nan 8.230 nan 0.000 0.403 177 G N 2.383 111.186 108.800 0.005 0.000 2.390 177 G HA2 0.526 4.783 3.960 0.495 0.000 0.270 177 G HA3 0.526 4.783 3.960 0.495 0.000 0.270 177 G C -0.268 174.568 174.900 -0.107 0.000 1.211 177 G CA 0.305 45.346 45.100 -0.097 0.000 0.842 177 G HN 0.799 nan 8.290 nan 0.000 0.519 178 T N -0.219 114.236 114.554 -0.166 0.000 2.930 178 T HA 0.682 5.329 4.350 0.495 0.000 0.290 178 T C 0.263 174.848 174.700 -0.192 0.000 1.052 178 T CA -0.968 60.992 62.100 -0.234 0.000 1.017 178 T CB 2.085 70.624 68.868 -0.549 0.000 1.137 178 T HN 0.542 nan 8.240 nan 0.000 0.511 179 R N -0.651 119.746 120.500 -0.171 0.000 2.541 179 R HA 0.557 5.194 4.340 0.495 0.000 0.254 179 R C 0.227 176.442 176.300 -0.141 0.000 1.130 179 R CA -0.439 55.588 56.100 -0.122 0.000 1.152 179 R CB 0.288 30.541 30.300 -0.078 0.000 1.222 179 R HN 0.947 nan 8.270 nan 0.000 0.579 180 C N -0.224 119.018 119.300 -0.096 0.000 4.358 180 C HA -0.128 4.630 4.460 0.495 0.000 0.287 180 C C 1.237 176.175 174.990 -0.086 0.000 1.414 180 C CA 0.555 59.523 59.018 -0.083 0.000 1.949 180 C CB -2.566 25.128 27.740 -0.077 0.000 1.274 180 C HN 1.278 nan 8.230 nan 0.000 0.793 181 G N -0.121 108.624 108.800 -0.091 0.000 2.159 181 G HA2 -0.336 3.921 3.960 0.495 0.000 0.256 181 G HA3 -0.336 3.921 3.960 0.495 0.000 0.256 181 G C 0.316 175.169 174.900 -0.079 0.000 0.977 181 G CA 0.740 45.796 45.100 -0.073 0.000 0.652 181 G HN 0.725 nan 8.290 nan 0.000 0.531 182 N N 0.620 119.231 118.700 -0.147 0.000 2.512 182 N HA 0.364 5.401 4.740 0.495 0.000 0.183 182 N C 1.844 177.357 175.510 0.005 0.000 1.073 182 N CA 1.254 54.215 53.050 -0.148 0.000 0.911 182 N CB 0.030 38.154 38.487 -0.604 0.000 0.964 182 N HN 1.388 nan 8.380 nan 0.000 0.447 183 G N 0.891 109.651 108.800 -0.067 0.000 2.527 183 G HA2 -0.301 3.956 3.960 0.495 0.000 0.268 183 G HA3 -0.301 3.956 3.960 0.495 0.000 0.268 183 G C -0.709 174.134 174.900 -0.094 0.000 1.175 183 G CA -0.223 44.841 45.100 -0.060 0.000 0.962 183 G HN 0.209 nan 8.290 nan 0.000 0.560 184 L N -0.026 121.083 121.223 -0.190 0.000 2.313 184 L HA 0.848 5.485 4.340 0.495 0.000 0.283 184 L C -0.877 175.984 176.870 -0.014 0.000 1.013 184 L CA -0.729 53.958 54.840 -0.255 0.000 0.816 184 L CB 1.223 42.767 42.059 -0.859 0.000 1.236 184 L HN 0.615 nan 8.230 nan 0.000 0.419 185 W N 4.885 126.172 121.300 -0.021 0.000 2.719 185 W HA 0.769 5.725 4.660 0.494 0.000 0.352 185 W C -0.418 176.256 176.519 0.259 0.000 1.085 185 W CA -0.600 56.839 57.345 0.158 0.000 1.187 185 W CB 1.468 31.072 29.460 0.241 0.000 1.417 185 W HN 0.421 nan 8.180 nan 0.000 0.557 186 R N 1.356 122.088 120.500 0.386 0.000 2.626 186 R HA 0.611 5.249 4.340 0.495 0.000 0.274 186 R C -1.419 174.622 176.300 -0.433 0.000 1.031 186 R CA -0.465 55.534 56.100 -0.167 0.000 0.898 186 R CB 2.100 32.101 30.300 -0.499 0.000 1.222 186 R HN 0.417 nan 8.270 nan 0.000 0.455 187 S N 0.547 115.667 115.700 -0.967 0.000 2.513 187 S HA 0.370 5.137 4.470 0.495 0.000 0.299 187 S C 0.150 174.378 174.600 -0.620 0.000 1.087 187 S CA -0.276 57.301 58.200 -1.038 0.000 1.012 187 S CB 1.600 63.760 63.200 -1.734 0.000 1.044 187 S HN 0.698 nan 8.310 nan 0.000 0.485 188 T N -0.222 114.068 114.554 -0.440 0.000 3.145 188 T HA 0.273 4.921 4.350 0.495 0.000 0.281 188 T C -0.363 174.144 174.700 -0.321 0.000 1.003 188 T CA -0.226 61.674 62.100 -0.334 0.000 0.901 188 T CB -0.259 68.471 68.868 -0.230 0.000 1.112 188 T HN 0.601 nan 8.240 nan 0.000 0.535 189 D N 0.137 120.349 120.400 -0.313 0.000 2.957 189 D HA 0.146 5.083 4.640 0.495 0.000 0.352 189 D C -0.469 175.807 176.300 -0.040 0.000 1.352 189 D CA -1.090 52.795 54.000 -0.192 0.000 0.831 189 D CB -1.018 39.732 40.800 -0.083 0.000 1.147 189 D HN 0.225 nan 8.370 nan 0.000 0.467 190 Y N 0.614 120.860 120.300 -0.090 0.000 3.689 190 Y HA -0.097 4.751 4.550 0.496 0.000 0.221 190 Y C 1.752 177.709 175.900 0.095 0.000 1.247 190 Y CA 0.840 58.959 58.100 0.033 0.000 1.671 190 Y CB -1.832 36.697 38.460 0.115 0.000 1.521 190 Y HN 0.585 nan 8.280 nan 0.000 0.632 191 G N -2.097 106.660 108.800 -0.070 0.000 2.162 191 G HA2 -0.340 3.917 3.960 0.495 0.000 0.260 191 G HA3 -0.340 3.917 3.960 0.495 0.000 0.260 191 G C 0.902 175.925 174.900 0.204 0.000 0.976 191 G CA 0.399 45.500 45.100 0.001 0.000 0.655 191 G HN 0.606 nan 8.290 nan 0.000 0.533 192 V N 0.766 120.736 119.914 0.094 0.000 2.379 192 V HA 0.136 4.554 4.120 0.495 0.000 0.245 192 V C 1.848 178.020 176.094 0.130 0.000 1.044 192 V CA 2.490 64.876 62.300 0.144 0.000 1.036 192 V CB -0.242 31.648 31.823 0.111 0.000 0.664 192 V HN 1.063 nan 8.190 nan 0.000 0.453 193 T N -3.095 111.448 114.554 -0.019 0.000 2.887 193 T HA 0.575 5.222 4.350 0.495 0.000 0.288 193 T C -1.469 173.140 174.700 -0.152 0.000 1.021 193 T CA -0.620 61.502 62.100 0.036 0.000 1.000 193 T CB 1.970 70.853 68.868 0.026 0.000 1.034 193 T HN 0.210 nan 8.240 nan 0.000 0.467 194 W N 1.256 122.631 121.300 0.125 0.000 2.915 194 W HA 0.655 5.610 4.660 0.493 0.000 0.337 194 W C -0.224 176.481 176.519 0.310 0.000 1.102 194 W CA -0.420 57.059 57.345 0.223 0.000 1.224 194 W CB 2.433 32.067 29.460 0.291 0.000 1.416 194 W HN 1.067 nan 8.180 nan 0.000 0.503 195 S N 1.097 117.038 115.700 0.402 0.000 2.588 195 S HA 0.573 5.340 4.470 0.495 0.000 0.275 195 S C -1.044 173.244 174.600 -0.519 0.000 1.130 195 S CA -1.286 56.909 58.200 -0.008 0.000 0.855 195 S CB 1.957 65.116 63.200 -0.069 0.000 1.116 195 S HN 0.427 nan 8.310 nan 0.000 0.472 196 K N 1.154 120.763 120.400 -1.317 0.000 2.412 196 K HA 0.318 4.935 4.320 0.495 0.000 0.281 196 K C -0.759 175.489 176.600 -0.587 0.000 1.027 196 K CA -0.451 54.951 56.287 -1.475 0.000 0.989 196 K CB 0.350 32.086 32.500 -1.272 0.000 0.935 196 K HN 0.540 nan 8.250 nan 0.000 0.475 197 V N 6.220 125.894 119.914 -0.399 0.000 2.326 197 V HA -0.001 4.416 4.120 0.495 0.000 0.249 197 V C 0.990 177.027 176.094 -0.096 0.000 1.114 197 V CA -0.055 62.176 62.300 -0.116 0.000 1.028 197 V CB 0.422 32.267 31.823 0.037 0.000 1.170 197 V HN 0.866 nan 8.190 nan 0.000 0.494 198 E N 2.496 122.643 120.200 -0.088 0.000 2.204 198 E HA -0.151 4.496 4.350 0.495 0.000 0.195 198 E C 2.200 178.797 176.600 -0.006 0.000 0.990 198 E CA 1.491 57.850 56.400 -0.069 0.000 0.821 198 E CB 0.004 29.665 29.700 -0.065 0.000 0.750 198 E HN 0.847 nan 8.360 nan 0.000 0.477 199 S N 0.081 115.828 115.700 0.078 0.000 2.561 199 S HA -0.035 4.732 4.470 0.495 0.000 0.225 199 S C 0.653 175.323 174.600 0.117 0.000 0.977 199 S CA -0.407 57.876 58.200 0.138 0.000 0.926 199 S CB -0.456 62.893 63.200 0.248 0.000 0.769 199 S HN 0.090 nan 8.310 nan 0.000 0.533 200 F N 4.315 124.138 119.950 -0.210 0.000 2.504 200 F HA 0.359 5.181 4.527 0.492 0.000 0.369 200 F C -1.717 173.847 175.800 -0.393 0.000 1.082 200 F CA -2.221 55.445 58.000 -0.557 0.000 1.216 200 F CB 1.037 39.558 39.000 -0.797 0.000 1.108 200 F HN 0.004 nan 8.300 nan 0.000 0.554 201 P HA -0.009 nan 4.420 nan 0.000 0.227 201 P C -0.754 176.219 177.300 -0.546 0.000 1.161 201 P CA 0.753 63.488 63.100 -0.609 0.000 0.788 201 P CB 0.265 31.656 31.700 -0.516 0.000 0.822 202 N N -0.271 117.964 118.700 -0.775 0.000 2.533 202 N HA 0.175 5.213 4.740 0.495 0.000 0.289 202 N C -2.512 172.916 175.510 -0.137 0.000 1.103 202 N CA -2.016 50.793 53.050 -0.403 0.000 0.877 202 N CB 1.455 39.712 38.487 -0.383 0.000 1.419 202 N HN -0.199 nan 8.380 nan 0.000 0.517 203 P HA 0.247 nan 4.420 nan 0.000 0.249 203 P C 0.051 177.328 177.300 -0.037 0.000 1.229 203 P CA 0.389 63.476 63.100 -0.022 0.000 0.788 203 P CB 0.036 31.712 31.700 -0.041 0.000 1.072 204 G N 0.003 108.785 108.800 -0.030 0.000 2.784 204 G HA2 0.087 4.344 3.960 0.495 0.000 0.686 204 G HA3 0.087 4.344 3.960 0.495 0.000 0.686 204 G C -0.437 174.449 174.900 -0.023 0.000 1.156 204 G CA -0.405 44.683 45.100 -0.021 0.000 0.757 204 G HN 0.409 nan 8.290 nan 0.000 0.642 219 I N 3.236 123.792 120.570 -0.025 0.000 2.226 219 I HA -0.042 4.425 4.170 0.495 0.000 0.245 219 I C 1.677 177.763 176.117 -0.052 0.000 1.100 219 I CA 2.382 63.664 61.300 -0.029 0.000 1.374 219 I CB -1.278 36.710 38.000 -0.020 0.000 1.057 219 I HN 0.954 nan 8.210 nan 0.000 0.413 220 G N 0.559 109.326 108.800 -0.055 0.000 2.498 220 G HA2 -0.235 4.022 3.960 0.495 0.000 0.245 220 G HA3 -0.235 4.022 3.960 0.495 0.000 0.245 220 G C -0.239 174.603 174.900 -0.095 0.000 1.204 220 G CA -0.173 44.881 45.100 -0.076 0.000 0.933 220 G HN 0.107 nan 8.290 nan 0.000 0.574 221 V N 1.810 121.646 119.914 -0.131 0.000 2.385 221 V HA 0.415 4.832 4.120 0.495 0.000 0.269 221 V C 1.642 177.634 176.094 -0.171 0.000 1.043 221 V CA 0.392 62.580 62.300 -0.186 0.000 0.906 221 V CB 0.912 32.569 31.823 -0.276 0.000 0.995 221 V HN 1.536 nan 8.190 nan 0.000 0.467 222 V N 1.846 121.636 119.914 -0.206 0.000 3.431 222 V HA 0.383 4.800 4.120 0.495 0.000 0.253 222 V C 0.318 176.448 176.094 0.060 0.000 1.184 222 V CA 0.172 62.414 62.300 -0.097 0.000 1.104 222 V CB -0.005 31.776 31.823 -0.070 0.000 0.799 222 V HN 0.836 nan 8.190 nan 0.000 0.462 223 W N -1.707 119.580 121.300 -0.022 0.000 3.146 223 W HA 0.775 5.720 4.660 0.475 0.000 0.319 223 W C -2.184 174.337 176.519 0.003 0.000 1.258 223 W CA -1.103 56.249 57.345 0.012 0.000 1.189 223 W CB 1.177 30.664 29.460 0.045 0.000 1.412 223 W HN -0.230 nan 8.180 nan 0.000 0.567 224 V N 2.310 122.457 119.914 0.389 0.000 2.525 224 V HA 0.527 4.944 4.120 0.495 0.000 0.299 224 V C -0.638 175.596 176.094 0.233 0.000 1.034 224 V CA -0.793 61.619 62.300 0.187 0.000 0.863 224 V CB 1.506 33.325 31.823 -0.007 0.000 0.999 224 V HN 0.416 nan 8.190 nan 0.000 0.423 225 V N 5.079 125.137 119.914 0.240 0.000 2.588 225 V HA 0.564 4.981 4.120 0.495 0.000 0.304 225 V C -0.802 175.368 176.094 0.126 0.000 1.042 225 V CA -0.541 61.907 62.300 0.245 0.000 0.877 225 V CB 1.947 33.960 31.823 0.317 0.000 0.996 225 V HN 0.674 nan 8.190 nan 0.000 0.425 226 F N 2.208 122.308 119.950 0.250 0.000 2.399 226 F HA 0.425 5.252 4.527 0.500 0.000 0.334 226 F C 0.508 176.435 175.800 0.213 0.000 1.097 226 F CA -0.460 57.662 58.000 0.203 0.000 1.076 226 F CB 1.182 40.276 39.000 0.157 0.000 1.162 226 F HN 0.417 nan 8.300 nan 0.000 0.495 227 D N 3.023 123.658 120.400 0.391 0.000 2.456 227 D HA 0.082 5.019 4.640 0.495 0.000 0.219 227 D C 0.935 177.365 176.300 0.216 0.000 1.126 227 D CA -0.031 54.143 54.000 0.290 0.000 0.890 227 D CB 0.808 41.785 40.800 0.296 0.000 1.025 227 D HN 0.537 nan 8.370 nan 0.000 0.511 228 K N 1.626 122.134 120.400 0.179 0.000 2.097 228 K HA -0.145 4.472 4.320 0.495 0.000 0.206 228 K C 1.563 178.214 176.600 0.084 0.000 1.049 228 K CA 1.257 57.615 56.287 0.119 0.000 0.933 228 K CB 0.142 32.700 32.500 0.096 0.000 0.717 228 K HN 0.396 nan 8.250 nan 0.000 0.442 229 S N -0.007 115.741 115.700 0.080 0.000 2.507 229 S HA -0.085 4.682 4.470 0.495 0.000 0.235 229 S C 1.683 176.315 174.600 0.053 0.000 0.988 229 S CA 1.100 59.334 58.200 0.056 0.000 0.944 229 S CB -0.173 63.054 63.200 0.045 0.000 0.762 229 S HN 0.366 nan 8.310 nan 0.000 0.526 230 S N -0.108 115.634 115.700 0.069 0.000 2.603 230 S HA 0.325 5.093 4.470 0.495 0.000 0.220 230 S C 0.517 175.141 174.600 0.040 0.000 0.967 230 S CA -0.213 58.020 58.200 0.055 0.000 0.920 230 S CB -0.219 63.021 63.200 0.066 0.000 0.773 230 S HN 0.396 nan 8.310 nan 0.000 0.529 231 S N 0.305 116.030 115.700 0.042 0.000 2.671 231 S HA 0.656 5.423 4.470 0.495 0.000 0.277 231 S C -0.677 173.937 174.600 0.024 0.000 1.165 231 S CA -0.610 57.606 58.200 0.028 0.000 0.822 231 S CB 1.762 64.979 63.200 0.028 0.000 1.150 231 S HN 0.577 nan 8.310 nan 0.000 0.479 232 T N -0.243 114.321 114.554 0.016 0.000 2.925 232 T HA 0.696 5.343 4.350 0.495 0.000 0.285 232 T C -3.141 171.566 174.700 0.011 0.000 1.021 232 T CA -2.549 59.559 62.100 0.015 0.000 1.042 232 T CB 0.833 69.708 68.868 0.011 0.000 1.037 232 T HN 0.183 nan 8.240 nan 0.000 0.481 233 P HA 0.274 nan 4.420 nan 0.000 0.264 233 P C 1.168 178.472 177.300 0.007 0.000 1.183 233 P CA 1.320 64.427 63.100 0.011 0.000 0.763 233 P CB 0.163 31.874 31.700 0.018 0.000 0.807 234 G N 1.808 110.608 108.800 0.002 0.000 2.254 234 G HA2 -0.183 4.074 3.960 0.495 0.000 0.225 234 G HA3 -0.183 4.074 3.960 0.495 0.000 0.225 234 G C 0.143 175.037 174.900 -0.011 0.000 1.003 234 G CA -0.437 44.662 45.100 -0.001 0.000 0.622 234 G HN 0.575 nan 8.290 nan 0.000 0.507 235 N N 1.676 120.370 118.700 -0.009 0.000 2.417 235 N HA 0.520 5.557 4.740 0.495 0.000 0.300 235 N C -3.070 172.433 175.510 -0.011 0.000 1.102 235 N CA -1.401 51.644 53.050 -0.010 0.000 0.886 235 N CB 1.830 40.315 38.487 -0.002 0.000 1.203 235 N HN -0.003 nan 8.380 nan 0.000 0.496 236 P HA 0.008 nan 4.420 nan 0.000 0.264 236 P C -0.257 177.066 177.300 0.038 0.000 1.193 236 P CA 0.374 63.481 63.100 0.011 0.000 0.763 236 P CB 0.186 31.901 31.700 0.023 0.000 0.810 237 T N 3.981 118.572 114.554 0.062 0.000 2.867 237 T HA 0.006 4.653 4.350 0.495 0.000 0.297 237 T C 1.414 176.191 174.700 0.127 0.000 0.989 237 T CA 0.301 62.469 62.100 0.114 0.000 1.159 237 T CB 0.276 69.258 68.868 0.191 0.000 0.928 237 T HN 0.346 nan 8.240 nan 0.000 0.538 238 K N 1.613 122.052 120.400 0.065 0.000 2.186 238 K HA 0.039 4.656 4.320 0.495 0.000 0.202 238 K C 0.696 177.264 176.600 -0.054 0.000 1.052 238 K CA 0.672 56.960 56.287 0.000 0.000 0.965 238 K CB 0.400 32.891 32.500 -0.015 0.000 0.746 238 K HN 0.433 nan 8.250 nan 0.000 0.457 239 T N 1.720 116.267 114.554 -0.013 0.000 2.758 239 T HA 0.486 5.133 4.350 0.495 0.000 0.285 239 T C -0.329 174.321 174.700 -0.084 0.000 0.981 239 T CA -0.423 61.618 62.100 -0.097 0.000 0.965 239 T CB 0.970 69.814 68.868 -0.039 0.000 0.927 239 T HN -0.024 nan 8.240 nan 0.000 0.448 240 I N 3.038 123.437 120.570 -0.285 0.000 2.533 240 I HA 0.443 4.910 4.170 0.495 0.000 0.290 240 I C -1.195 174.763 176.117 -0.265 0.000 1.056 240 I CA -1.137 60.012 61.300 -0.252 0.000 1.057 240 I CB 1.922 39.717 38.000 -0.341 0.000 1.240 240 I HN 0.537 nan 8.210 nan 0.000 0.423 241 Y N 4.515 124.887 120.300 0.120 0.000 2.377 241 Y HA 0.684 5.498 4.550 0.440 0.000 0.339 241 Y C -0.182 175.847 175.900 0.214 0.000 1.011 241 Y CA -0.887 57.367 58.100 0.257 0.000 1.093 241 Y CB 2.066 40.734 38.460 0.347 0.000 1.201 241 Y HN 0.146 nan 8.280 nan 0.000 0.455 242 V N 2.145 122.216 119.914 0.262 0.000 2.638 242 V HA 0.677 5.095 4.120 0.495 0.000 0.306 242 V C 0.021 175.835 176.094 -0.468 0.000 1.052 242 V CA -0.979 61.257 62.300 -0.107 0.000 0.885 242 V CB 1.888 33.606 31.823 -0.174 0.000 0.999 242 V HN 0.940 nan 8.190 nan 0.000 0.424 243 G N 2.863 110.847 108.800 -1.360 0.000 2.356 243 G HA2 0.633 4.890 3.960 0.495 0.000 0.322 243 G HA3 0.633 4.890 3.960 0.495 0.000 0.322 243 G C -1.063 173.411 174.900 -0.710 0.000 1.125 243 G CA -0.424 43.735 45.100 -1.569 0.000 0.885 243 G HN 0.563 nan 8.290 nan 0.000 0.467 244 V N 1.262 121.003 119.914 -0.289 0.000 2.656 244 V HA 0.624 5.041 4.120 0.495 0.000 0.307 244 V C 0.470 176.534 176.094 -0.050 0.000 1.051 244 V CA -0.951 61.292 62.300 -0.094 0.000 0.893 244 V CB 1.937 33.827 31.823 0.111 0.000 0.999 244 V HN 1.049 nan 8.190 nan 0.000 0.426 245 A N 3.079 125.873 122.820 -0.044 0.000 2.797 245 A HA 0.492 5.109 4.320 0.495 0.000 0.296 245 A C -0.066 177.530 177.584 0.019 0.000 1.580 245 A CA 0.298 52.334 52.037 -0.003 0.000 1.277 245 A CB -0.522 18.468 19.000 -0.017 0.000 1.101 245 A HN 0.768 nan 8.150 nan 0.000 0.562 246 D N 1.953 122.376 120.400 0.039 0.000 2.764 246 D HA 0.159 5.096 4.640 0.495 0.000 0.227 246 D C 0.475 176.793 176.300 0.030 0.000 1.347 246 D CA -0.415 53.605 54.000 0.034 0.000 0.953 246 D CB 1.076 41.902 40.800 0.044 0.000 1.476 246 D HN 0.328 nan 8.370 nan 0.000 0.585 247 K N 1.606 122.019 120.400 0.022 0.000 2.283 247 K HA -0.028 4.590 4.320 0.495 0.000 0.202 247 K C 1.125 177.697 176.600 -0.048 0.000 1.048 247 K CA 0.776 57.067 56.287 0.006 0.000 0.948 247 K CB 0.366 32.874 32.500 0.014 0.000 0.742 247 K HN 0.315 nan 8.250 nan 0.000 0.458 248 N N 0.386 119.056 118.700 -0.050 0.000 2.409 248 N HA -0.036 5.001 4.740 0.495 0.000 0.174 248 N C -0.246 175.193 175.510 -0.119 0.000 1.037 248 N CA 0.541 53.541 53.050 -0.084 0.000 0.898 248 N CB 0.719 39.171 38.487 -0.059 0.000 1.010 248 N HN 0.178 nan 8.380 nan 0.000 0.445 249 E N -0.093 120.051 120.200 -0.094 0.000 2.499 249 E HA 0.148 4.795 4.350 0.495 0.000 0.327 249 E C -0.472 176.061 176.600 -0.111 0.000 0.929 249 E CA -0.046 56.260 56.400 -0.157 0.000 0.788 249 E CB 0.578 30.209 29.700 -0.116 0.000 1.452 249 E HN 0.077 nan 8.360 nan 0.000 0.387 250 S N 3.797 119.389 115.700 -0.179 0.000 2.575 250 S HA 0.292 5.059 4.470 0.495 0.000 0.230 250 S C 0.571 175.106 174.600 -0.109 0.000 1.062 250 S CA -0.231 57.941 58.200 -0.046 0.000 0.913 250 S CB 0.515 63.745 63.200 0.050 0.000 0.837 250 S HN 0.364 nan 8.310 nan 0.000 0.487 251 I N 2.721 123.133 120.570 -0.264 0.000 2.339 251 I HA 0.516 4.983 4.170 0.495 0.000 0.290 251 I C -1.197 174.716 176.117 -0.339 0.000 0.994 251 I CA -1.128 60.092 61.300 -0.133 0.000 1.191 251 I CB 0.225 38.299 38.000 0.122 0.000 1.343 251 I HN 0.194 nan 8.210 nan 0.000 0.458 252 Y N 5.048 125.404 120.300 0.094 0.000 2.524 252 Y HA 0.683 5.546 4.550 0.522 0.000 0.344 252 Y C 0.376 176.431 175.900 0.258 0.000 1.012 252 Y CA -0.841 57.343 58.100 0.141 0.000 1.068 252 Y CB 2.160 40.669 38.460 0.081 0.000 1.249 252 Y HN 0.467 nan 8.280 nan 0.000 0.468 253 R N 1.087 121.810 120.500 0.371 0.000 2.604 253 R HA 0.629 5.267 4.340 0.495 0.000 0.281 253 R C -1.555 174.739 176.300 -0.010 0.000 1.020 253 R CA -0.484 55.653 56.100 0.062 0.000 0.899 253 R CB 1.955 32.177 30.300 -0.130 0.000 1.205 253 R HN 0.712 nan 8.270 nan 0.000 0.450 254 S N 0.655 116.114 115.700 -0.402 0.000 2.549 254 S HA 0.364 5.131 4.470 0.495 0.000 0.297 254 S C 0.365 174.690 174.600 -0.458 0.000 1.115 254 S CA -0.300 57.461 58.200 -0.732 0.000 1.059 254 S CB 1.468 63.718 63.200 -1.583 0.000 1.046 254 S HN 0.704 nan 8.310 nan 0.000 0.506 255 T N -0.408 113.947 114.554 -0.331 0.000 3.170 255 T HA 0.257 4.904 4.350 0.495 0.000 0.288 255 T C -0.259 174.340 174.700 -0.169 0.000 0.992 255 T CA -0.181 61.797 62.100 -0.203 0.000 0.909 255 T CB -0.195 68.601 68.868 -0.121 0.000 1.133 255 T HN 0.601 nan 8.240 nan 0.000 0.530 256 D N 0.482 120.746 120.400 -0.225 0.000 2.720 256 D HA 0.354 5.291 4.640 0.495 0.000 0.285 256 D C 1.274 177.483 176.300 -0.151 0.000 1.359 256 D CA -0.329 53.576 54.000 -0.159 0.000 0.818 256 D CB -0.232 40.484 40.800 -0.141 0.000 1.108 256 D HN 0.398 nan 8.370 nan 0.000 0.474 257 G N -0.091 108.614 108.800 -0.159 0.000 2.198 257 G HA2 0.029 4.286 3.960 0.495 0.000 0.257 257 G HA3 0.029 4.286 3.960 0.495 0.000 0.257 257 G C 1.123 175.999 174.900 -0.040 0.000 1.042 257 G CA 0.300 45.366 45.100 -0.058 0.000 0.791 257 G HN 1.447 nan 8.290 nan 0.000 0.502 258 G N -3.104 105.515 108.800 -0.301 0.000 2.141 258 G HA2 -0.136 4.121 3.960 0.495 0.000 0.242 258 G HA3 -0.136 4.121 3.960 0.495 0.000 0.242 258 G C 1.215 176.088 174.900 -0.044 0.000 0.982 258 G CA 0.968 45.932 45.100 -0.226 0.000 0.662 258 G HN 1.457 nan 8.290 nan 0.000 0.527 259 V N 0.614 120.431 119.914 -0.161 0.000 2.346 259 V HA 0.183 4.601 4.120 0.495 0.000 0.244 259 V C 1.824 177.881 176.094 -0.062 0.000 1.037 259 V CA 2.487 64.760 62.300 -0.046 0.000 1.029 259 V CB -0.302 31.489 31.823 -0.053 0.000 0.663 259 V HN 1.090 nan 8.190 nan 0.000 0.454 260 T N -2.967 111.434 114.554 -0.256 0.000 2.924 260 T HA 0.593 5.240 4.350 0.495 0.000 0.291 260 T C -1.518 172.896 174.700 -0.477 0.000 1.045 260 T CA -0.666 61.325 62.100 -0.180 0.000 1.015 260 T CB 2.145 70.959 68.868 -0.089 0.000 1.103 260 T HN 0.231 nan 8.240 nan 0.000 0.496 261 W N 0.254 121.539 121.300 -0.025 0.000 3.032 261 W HA 0.712 5.661 4.660 0.481 0.000 0.335 261 W C -0.305 176.198 176.519 -0.027 0.000 1.154 261 W CA -0.851 56.476 57.345 -0.030 0.000 1.204 261 W CB 2.169 31.577 29.460 -0.086 0.000 1.416 261 W HN 0.597 nan 8.180 nan 0.000 0.521 262 K N 1.447 121.992 120.400 0.242 0.000 2.469 262 K HA 0.741 5.359 4.320 0.495 0.000 0.254 262 K C -0.524 176.193 176.600 0.194 0.000 0.939 262 K CA -1.084 55.301 56.287 0.164 0.000 0.812 262 K CB 2.392 34.933 32.500 0.068 0.000 1.301 262 K HN 0.552 nan 8.250 nan 0.000 0.433 263 A N 1.828 124.692 122.820 0.073 0.000 2.477 263 A HA 0.184 4.801 4.320 0.495 0.000 0.246 263 A C 0.106 177.607 177.584 -0.138 0.000 1.078 263 A CA -0.305 51.568 52.037 -0.273 0.000 0.770 263 A CB 0.153 18.945 19.000 -0.348 0.000 1.011 263 A HN 0.427 nan 8.150 nan 0.000 0.494 264 V N 5.490 125.311 119.914 -0.156 0.000 2.479 264 V HA 0.141 4.558 4.120 0.495 0.000 0.281 264 V C -1.923 174.148 176.094 -0.039 0.000 1.031 264 V CA -0.817 61.450 62.300 -0.055 0.000 1.038 264 V CB 0.475 32.236 31.823 -0.104 0.000 0.981 264 V HN 0.767 nan 8.190 nan 0.000 0.478 265 P HA 0.272 nan 4.420 nan 0.000 0.268 265 P C 0.912 178.273 177.300 0.102 0.000 1.205 265 P CA 0.960 64.084 63.100 0.040 0.000 0.771 265 P CB 0.722 32.475 31.700 0.088 0.000 0.858 266 G N 1.108 109.845 108.800 -0.105 0.000 2.159 266 G HA2 -0.231 4.027 3.960 0.495 0.000 0.256 266 G HA3 -0.231 4.027 3.960 0.495 0.000 0.256 266 G C 0.141 174.460 174.900 -0.967 0.000 0.977 266 G CA 0.163 45.114 45.100 -0.248 0.000 0.652 266 G HN 0.782 nan 8.290 nan 0.000 0.531 267 Q N 0.965 120.090 119.800 -1.125 0.000 2.392 267 Q HA 0.561 5.199 4.340 0.495 0.000 0.262 267 Q C -1.893 173.298 176.000 -1.347 0.000 1.003 267 Q CA -1.212 53.484 55.803 -1.845 0.000 0.888 267 Q CB 0.833 28.899 28.738 -1.121 0.000 1.260 267 Q HN 0.314 nan 8.270 nan 0.000 0.435 268 P HA 0.116 nan 4.420 nan 0.000 0.272 268 P C -1.109 175.721 177.300 -0.784 0.000 1.240 268 P CA -0.110 62.261 63.100 -1.214 0.000 0.791 268 P CB 0.846 31.523 31.700 -1.705 0.000 0.978 269 K N -0.813 119.257 120.400 -0.549 0.000 2.443 269 K HA 0.567 5.184 4.320 0.495 0.000 0.251 269 K C 0.395 176.824 176.600 -0.285 0.000 0.972 269 K CA -0.347 55.727 56.287 -0.354 0.000 0.833 269 K CB 1.816 34.159 32.500 -0.262 0.000 1.317 269 K HN 0.733 nan 8.250 nan 0.000 0.441 270 G N 0.359 109.057 108.800 -0.170 0.000 2.253 270 G HA2 -0.172 4.086 3.960 0.495 0.000 0.209 270 G HA3 -0.172 4.086 3.960 0.495 0.000 0.209 270 G C -0.249 174.639 174.900 -0.020 0.000 0.997 270 G CA -0.334 44.709 45.100 -0.094 0.000 0.640 270 G HN 0.337 nan 8.290 nan 0.000 0.496 271 L N -0.023 121.194 121.223 -0.011 0.000 2.250 271 L HA 0.788 5.425 4.340 0.495 0.000 0.252 271 L C -0.156 176.884 176.870 0.282 0.000 1.054 271 L CA -1.376 53.553 54.840 0.147 0.000 0.856 271 L CB 1.833 44.006 42.059 0.189 0.000 1.443 271 L HN 0.003 nan 8.230 nan 0.000 0.427 272 L N 2.128 123.571 121.223 0.368 0.000 2.322 272 L HA 0.475 5.112 4.340 0.495 0.000 0.281 272 L C -2.399 174.706 176.870 0.392 0.000 1.014 272 L CA -1.715 53.325 54.840 0.334 0.000 0.815 272 L CB 1.713 43.904 42.059 0.220 0.000 1.247 272 L HN 0.230 nan 8.230 nan 0.000 0.421 273 P HA 0.086 nan 4.420 nan 0.000 0.279 273 P C 0.057 177.561 177.300 0.339 0.000 1.318 273 P CA 0.033 63.157 63.100 0.039 0.000 0.819 273 P CB 0.426 32.189 31.700 0.106 0.000 0.927 274 H N 2.025 121.179 119.070 0.139 0.000 2.363 274 H HA 0.011 4.863 4.556 0.493 0.000 0.301 274 H C 0.410 175.653 175.328 -0.141 0.000 1.074 274 H CA 1.069 57.160 56.048 0.071 0.000 1.354 274 H CB 0.466 30.295 29.762 0.112 0.000 1.397 274 H HN 0.553 nan 8.280 nan 0.000 0.516 275 H N -1.487 117.659 119.070 0.126 0.000 2.930 275 H HA 0.356 5.208 4.556 0.493 0.000 0.371 275 H C -0.339 174.535 175.328 -0.757 0.000 1.169 275 H CA -0.410 55.446 56.048 -0.320 0.000 1.157 275 H CB 2.314 32.010 29.762 -0.110 0.000 1.789 275 H HN 0.266 nan 8.280 nan 0.000 0.547 276 G N 0.930 108.890 108.800 -1.400 0.000 2.609 276 G HA2 0.501 4.759 3.960 0.495 0.000 0.308 276 G HA3 0.501 4.759 3.960 0.495 0.000 0.308 276 G C -1.231 173.310 174.900 -0.598 0.000 1.369 276 G CA -0.378 43.952 45.100 -1.283 0.000 0.958 276 G HN 0.335 nan 8.290 nan 0.000 0.499 277 V N 3.306 123.082 119.914 -0.231 0.000 2.443 277 V HA 0.369 4.787 4.120 0.495 0.000 0.293 277 V C -0.614 175.488 176.094 0.015 0.000 1.021 277 V CA -0.797 61.464 62.300 -0.066 0.000 0.848 277 V CB 1.562 33.377 31.823 -0.014 0.000 0.998 277 V HN 0.685 nan 8.190 nan 0.000 0.424 278 L N 5.623 126.851 121.223 0.007 0.000 2.259 278 L HA 0.795 5.432 4.340 0.495 0.000 0.288 278 L C 0.622 177.518 176.870 0.044 0.000 1.051 278 L CA 0.184 55.028 54.840 0.006 0.000 0.824 278 L CB 0.718 42.784 42.059 0.012 0.000 1.206 278 L HN 0.762 nan 8.230 nan 0.000 0.429 279 A N 3.097 125.954 122.820 0.061 0.000 2.332 279 A HA 0.408 5.026 4.320 0.495 0.000 0.258 279 A C 1.292 178.886 177.584 0.017 0.000 1.087 279 A CA 0.292 52.361 52.037 0.053 0.000 0.802 279 A CB 0.251 19.320 19.000 0.114 0.000 1.042 279 A HN 0.977 nan 8.150 nan 0.000 0.489 280 S N 0.716 116.420 115.700 0.006 0.000 2.442 280 S HA -0.187 4.580 4.470 0.495 0.000 0.236 280 S C 1.108 175.700 174.600 -0.013 0.000 1.007 280 S CA 1.277 59.477 58.200 0.000 0.000 0.965 280 S CB -0.611 62.584 63.200 -0.009 0.000 0.773 280 S HN 0.923 nan 8.310 nan 0.000 0.504 281 N N 2.321 121.008 118.700 -0.022 0.000 2.515 281 N HA 0.254 5.291 4.740 0.495 0.000 0.191 281 N C 0.919 176.384 175.510 -0.075 0.000 1.182 281 N CA 0.705 53.729 53.050 -0.042 0.000 0.879 281 N CB -0.946 37.517 38.487 -0.039 0.000 0.984 281 N HN 0.721 nan 8.380 nan 0.000 0.453 285 Y N 5.471 125.754 120.300 -0.028 0.000 2.308 285 Y HA 0.776 5.634 4.550 0.514 0.000 0.329 285 Y C 0.226 176.149 175.900 0.039 0.000 1.111 285 Y CA -0.228 57.900 58.100 0.047 0.000 1.179 285 Y CB 1.472 39.946 38.460 0.024 0.000 1.201 285 Y HN 0.415 nan 8.280 nan 0.000 0.483 286 I N 2.461 123.218 120.570 0.311 0.000 2.571 286 I HA 0.296 4.763 4.170 0.495 0.000 0.289 286 I C -0.704 175.551 176.117 0.231 0.000 1.115 286 I CA -0.882 60.529 61.300 0.183 0.000 1.045 286 I CB 2.327 40.452 38.000 0.209 0.000 1.238 286 I HN 0.557 nan 8.210 nan 0.000 0.424 287 T N 1.542 116.176 114.554 0.133 0.000 2.875 287 T HA 0.670 5.318 4.350 0.495 0.000 0.284 287 T C -0.882 173.896 174.700 0.130 0.000 0.995 287 T CA -0.555 61.680 62.100 0.226 0.000 1.060 287 T CB 1.041 70.063 68.868 0.256 0.000 0.967 287 T HN 0.322 nan 8.240 nan 0.000 0.476 288 Y N 0.061 120.561 120.300 0.333 0.000 2.477 288 Y HA 0.703 5.542 4.550 0.481 0.000 0.347 288 Y C 0.639 176.680 175.900 0.236 0.000 0.981 288 Y CA -0.765 57.522 58.100 0.312 0.000 1.033 288 Y CB 2.855 41.485 38.460 0.284 0.000 1.245 288 Y HN 1.207 nan 8.280 nan 0.000 0.455 289 G N 0.802 109.836 108.800 0.389 0.000 2.687 289 G HA2 0.571 4.829 3.960 0.495 0.000 0.291 289 G HA3 0.571 4.829 3.960 0.495 0.000 0.291 289 G C -1.970 173.108 174.900 0.297 0.000 1.420 289 G CA -0.819 44.431 45.100 0.251 0.000 0.796 289 G HN 0.522 nan 8.290 nan 0.000 0.485 300 K N -0.885 119.546 120.400 0.051 0.000 2.477 300 K HA 0.809 5.426 4.320 0.495 0.000 0.255 300 K C -0.434 176.247 176.600 0.135 0.000 0.952 300 K CA -0.419 55.895 56.287 0.045 0.000 0.826 300 K CB 2.248 34.850 32.500 0.171 0.000 1.331 300 K HN 1.166 nan 8.250 nan 0.000 0.437 301 G N 0.729 109.630 108.800 0.168 0.000 2.667 301 G HA2 0.632 4.889 3.960 0.495 0.000 0.298 301 G HA3 0.632 4.889 3.960 0.495 0.000 0.298 301 G C -1.390 173.800 174.900 0.483 0.000 1.377 301 G CA -0.336 44.952 45.100 0.313 0.000 0.964 301 G HN 0.340 nan 8.290 nan 0.000 0.493 302 Q N -0.708 119.385 119.800 0.489 0.000 2.421 302 Q HA 0.656 5.293 4.340 0.495 0.000 0.280 302 Q C -1.258 174.976 176.000 0.390 0.000 1.085 302 Q CA -0.891 55.126 55.803 0.357 0.000 0.807 302 Q CB 3.488 32.422 28.738 0.327 0.000 1.405 302 Q HN 0.419 nan 8.270 nan 0.000 0.419 303 V N 1.003 120.983 119.914 0.110 0.000 2.531 303 V HA 0.532 4.949 4.120 0.495 0.000 0.301 303 V C -1.342 174.856 176.094 0.174 0.000 1.034 303 V CA -0.789 61.624 62.300 0.190 0.000 0.865 303 V CB 1.012 32.773 31.823 -0.104 0.000 0.995 303 V HN 0.671 nan 8.190 nan 0.000 0.424 304 W N 3.091 124.628 121.300 0.395 0.000 2.799 304 W HA 0.743 5.709 4.660 0.510 0.000 0.349 304 W C -0.142 176.561 176.519 0.307 0.000 1.100 304 W CA -0.843 56.740 57.345 0.396 0.000 1.174 304 W CB 1.897 31.713 29.460 0.595 0.000 1.427 304 W HN 0.525 nan 8.180 nan 0.000 0.547 305 K N 1.617 122.253 120.400 0.394 0.000 2.345 305 K HA 0.678 5.295 4.320 0.495 0.000 0.255 305 K C -1.589 174.988 176.600 -0.039 0.000 0.934 305 K CA -0.709 55.580 56.287 0.004 0.000 0.801 305 K CB 2.020 34.304 32.500 -0.361 0.000 1.137 305 K HN 0.332 nan 8.250 nan 0.000 0.424 306 F N 3.236 122.885 119.950 -0.501 0.000 2.427 306 F HA 0.330 5.020 4.527 0.271 0.000 0.346 306 F C -0.505 174.949 175.800 -0.576 0.000 1.120 306 F CA -1.222 56.258 58.000 -0.867 0.000 1.033 306 F CB 1.342 39.478 39.000 -1.439 0.000 1.126 306 F HN 0.691 nan 8.300 nan 0.000 0.462 307 N N 4.117 122.156 118.700 -1.101 0.000 2.482 307 N HA 0.013 5.051 4.740 0.495 0.000 0.242 307 N C 1.142 175.889 175.510 -1.273 0.000 1.100 307 N CA 0.573 53.086 53.050 -0.895 0.000 0.946 307 N CB 0.935 39.113 38.487 -0.515 0.000 1.227 307 N HN 0.855 nan 8.380 nan 0.000 0.508 308 T N 1.189 115.133 114.554 -1.016 0.000 2.897 308 T HA -0.100 4.547 4.350 0.495 0.000 0.271 308 T C 1.437 175.961 174.700 -0.293 0.000 1.084 308 T CA 1.044 62.775 62.100 -0.615 0.000 1.123 308 T CB 0.045 68.823 68.868 -0.150 0.000 0.865 308 T HN 0.455 nan 8.240 nan 0.000 0.496 309 R N 0.707 121.038 120.500 -0.282 0.000 2.246 309 R HA 0.126 4.763 4.340 0.495 0.000 0.199 309 R C 2.527 178.741 176.300 -0.143 0.000 0.984 309 R CA 1.352 57.363 56.100 -0.150 0.000 1.015 309 R CB 0.013 30.243 30.300 -0.117 0.000 0.930 309 R HN 0.700 nan 8.270 nan 0.000 0.475 310 T N -5.069 109.353 114.554 -0.220 0.000 2.955 310 T HA 0.229 4.876 4.350 0.495 0.000 0.251 310 T C 1.374 176.007 174.700 -0.111 0.000 1.002 310 T CA 0.555 62.569 62.100 -0.143 0.000 0.970 310 T CB 1.136 69.925 68.868 -0.132 0.000 1.091 310 T HN 0.253 nan 8.240 nan 0.000 0.495 311 G N 1.398 110.058 108.800 -0.233 0.000 2.175 311 G HA2 -0.229 4.028 3.960 0.495 0.000 0.244 311 G HA3 -0.229 4.028 3.960 0.495 0.000 0.244 311 G C -0.197 174.758 174.900 0.091 0.000 0.982 311 G CA 0.198 45.309 45.100 0.018 0.000 0.641 311 G HN 0.855 nan 8.290 nan 0.000 0.527 312 E N -0.230 119.900 120.200 -0.117 0.000 2.289 312 E HA 0.413 5.060 4.350 0.495 0.000 0.278 312 E C -0.453 176.166 176.600 0.031 0.000 1.032 312 E CA -0.883 55.535 56.400 0.029 0.000 0.854 312 E CB 0.394 30.083 29.700 -0.018 0.000 1.046 312 E HN 0.295 nan 8.360 nan 0.000 0.409 313 W N 4.737 126.196 121.300 0.264 0.000 2.433 313 W HA 0.448 5.260 4.660 0.254 0.000 0.315 313 W C -0.380 176.375 176.519 0.394 0.000 1.087 313 W CA -0.374 57.207 57.345 0.394 0.000 1.205 313 W CB 0.912 30.574 29.460 0.336 0.000 1.288 313 W HN 0.356 nan 8.180 nan 0.000 0.504 314 I N 3.116 124.029 120.570 0.571 0.000 2.447 314 I HA 0.084 4.551 4.170 0.495 0.000 0.287 314 I C -0.398 175.676 176.117 -0.071 0.000 1.023 314 I CA -0.994 60.445 61.300 0.232 0.000 1.083 314 I CB 1.559 39.600 38.000 0.069 0.000 1.245 314 I HN 0.215 nan 8.210 nan 0.000 0.434 315 D N 7.544 127.533 120.400 -0.685 0.000 2.346 315 D HA 0.177 5.114 4.640 0.495 0.000 0.260 315 D C 0.450 176.447 176.300 -0.506 0.000 1.252 315 D CA 0.070 53.317 54.000 -1.254 0.000 0.895 315 D CB 0.791 40.833 40.800 -1.263 0.000 1.097 315 D HN 0.532 nan 8.370 nan 0.000 0.489 316 I N 0.528 120.890 120.570 -0.345 0.000 3.762 316 I HA 0.228 4.695 4.170 0.495 0.000 0.333 316 I C -0.033 176.063 176.117 -0.035 0.000 1.566 316 I CA -0.690 60.599 61.300 -0.018 0.000 1.129 316 I CB 0.227 38.342 38.000 0.191 0.000 1.218 316 I HN -0.047 nan 8.210 nan 0.000 0.456 317 T N 3.918 118.290 114.554 -0.303 0.000 2.829 317 T HA 0.109 4.756 4.350 0.495 0.000 0.293 317 T C -1.435 172.895 174.700 -0.618 0.000 0.970 317 T CA -0.386 61.420 62.100 -0.489 0.000 1.168 317 T CB 0.746 69.432 68.868 -0.303 0.000 0.911 317 T HN 0.193 nan 8.240 nan 0.000 0.535 318 P HA 0.041 nan 4.420 nan 0.000 0.218 318 P C 0.066 176.922 177.300 -0.739 0.000 1.148 318 P CA 0.983 63.223 63.100 -1.433 0.000 0.822 318 P CB 0.143 30.293 31.700 -2.583 0.000 0.784 319 I N -0.694 119.590 120.570 -0.477 0.000 2.410 319 I HA 0.304 4.771 4.170 0.495 0.000 0.286 319 I C -2.528 173.520 176.117 -0.115 0.000 1.009 319 I CA -3.144 58.045 61.300 -0.186 0.000 1.111 319 I CB 2.075 40.025 38.000 -0.083 0.000 1.262 319 I HN -0.352 nan 8.210 nan 0.000 0.443 320 P HA -0.127 nan 4.420 nan 0.000 0.263 320 P C 0.327 177.629 177.300 0.004 0.000 1.175 320 P CA 0.271 63.349 63.100 -0.038 0.000 0.761 320 P CB 0.346 32.030 31.700 -0.026 0.000 0.794 321 Y N 3.667 123.930 120.300 -0.062 0.000 2.241 321 Y HA -0.288 4.564 4.550 0.503 0.000 0.286 321 Y C 2.150 178.029 175.900 -0.035 0.000 1.166 321 Y CA 2.427 60.506 58.100 -0.035 0.000 1.203 321 Y CB -0.339 38.121 38.460 0.001 0.000 0.977 321 Y HN 0.388 nan 8.280 nan 0.000 0.529 322 S N -1.400 114.294 115.700 -0.010 0.000 2.489 322 S HA -0.012 4.755 4.470 0.495 0.000 0.228 322 S C 1.245 175.785 174.600 -0.101 0.000 0.995 322 S CA 0.253 58.414 58.200 -0.066 0.000 0.934 322 S CB -0.607 62.605 63.200 0.019 0.000 0.771 322 S HN 0.319 nan 8.310 nan 0.000 0.522 323 S N 1.715 117.360 115.700 -0.092 0.000 2.585 323 S HA 0.309 5.076 4.470 0.495 0.000 0.273 323 S C 1.200 175.727 174.600 -0.121 0.000 1.339 323 S CA -0.031 58.120 58.200 -0.082 0.000 1.028 323 S CB 0.946 64.117 63.200 -0.049 0.000 0.906 323 S HN 0.565 nan 8.310 nan 0.000 0.528 324 S N 2.083 117.734 115.700 -0.082 0.000 2.593 324 S HA 0.078 4.846 4.470 0.495 0.000 0.217 324 S C 0.758 175.323 174.600 -0.059 0.000 0.966 324 S CA 0.168 58.318 58.200 -0.082 0.000 0.914 324 S CB -0.166 63.006 63.200 -0.047 0.000 0.776 324 S HN 0.717 nan 8.310 nan 0.000 0.523 325 D N 2.490 122.864 120.400 -0.043 0.000 2.183 325 D HA 0.004 4.941 4.640 0.495 0.000 0.203 325 D C 0.652 176.844 176.300 -0.180 0.000 0.969 325 D CA 0.630 54.626 54.000 -0.007 0.000 0.842 325 D CB -0.442 40.385 40.800 0.045 0.000 0.957 325 D HN 0.396 nan 8.370 nan 0.000 0.484 326 N N 1.260 119.797 118.700 -0.272 0.000 2.434 326 N HA -0.033 5.004 4.740 0.495 0.000 0.273 326 N C -0.077 175.141 175.510 -0.486 0.000 1.210 326 N CA 0.117 52.876 53.050 -0.484 0.000 0.992 326 N CB -0.006 38.304 38.487 -0.296 0.000 1.355 326 N HN 0.243 nan 8.380 nan 0.000 0.495 327 R N 2.204 122.293 120.500 -0.684 0.000 2.637 327 R HA 0.229 4.866 4.340 0.495 0.000 0.446 327 R C -0.899 175.305 176.300 -0.161 0.000 1.024 327 R CA -0.508 55.421 56.100 -0.286 0.000 1.080 327 R CB -0.380 29.897 30.300 -0.039 0.000 1.421 327 R HN 0.173 nan 8.270 nan 0.000 0.593 328 F N -2.180 117.704 119.950 -0.111 0.000 2.693 328 F HA 0.544 5.367 4.527 0.495 0.000 0.309 328 F C -0.466 175.187 175.800 -0.246 0.000 1.129 328 F CA -2.123 55.785 58.000 -0.154 0.000 0.948 328 F CB 0.230 39.113 39.000 -0.196 0.000 1.315 328 F HN -0.205 nan 8.300 nan 0.000 0.447 329 C N 1.722 121.045 119.300 0.040 0.000 2.634 329 C HA 0.246 5.003 4.460 0.495 0.000 0.417 329 C C 0.013 174.895 174.990 -0.180 0.000 1.334 329 C CA -0.168 58.832 59.018 -0.030 0.000 1.829 329 C CB -1.306 26.411 27.740 -0.039 0.000 2.665 329 C HN 0.513 nan 8.230 nan 0.000 0.614 330 F N 1.407 121.420 119.950 0.105 0.000 2.411 330 F HA 0.516 5.341 4.527 0.496 0.000 0.350 330 F C 0.834 176.609 175.800 -0.041 0.000 1.114 330 F CA 0.090 58.131 58.000 0.068 0.000 1.135 330 F CB 0.800 39.837 39.000 0.062 0.000 1.120 330 F HN 0.786 nan 8.300 nan 0.000 0.495 331 A N 2.750 125.641 122.820 0.118 0.000 2.007 331 A HA 0.500 5.117 4.320 0.495 0.000 0.200 331 A C 1.243 179.017 177.584 0.317 0.000 2.019 331 A CA 0.413 52.488 52.037 0.064 0.000 1.002 331 A CB -0.932 18.085 19.000 0.029 0.000 1.213 331 A HN 0.767 nan 8.150 nan 0.000 0.635 332 G N 0.197 109.137 108.800 0.233 0.000 2.380 332 G HA2 0.440 4.697 3.960 0.495 0.000 0.242 332 G HA3 0.440 4.697 3.960 0.495 0.000 0.242 332 G C -0.769 174.173 174.900 0.070 0.000 1.298 332 G CA 0.348 45.526 45.100 0.130 0.000 0.878 332 G HN 0.849 nan 8.290 nan 0.000 0.542 333 L N 2.349 123.515 121.223 -0.096 0.000 2.438 333 L HA 0.805 5.442 4.340 0.495 0.000 0.270 333 L C -0.258 176.550 176.870 -0.103 0.000 0.972 333 L CA -0.702 54.109 54.840 -0.048 0.000 0.831 333 L CB 1.876 43.938 42.059 0.005 0.000 1.273 333 L HN 0.790 nan 8.230 nan 0.000 0.405 334 A N 4.592 127.376 122.820 -0.060 0.000 2.371 334 A HA 0.871 5.488 4.320 0.495 0.000 0.311 334 A C -1.541 175.960 177.584 -0.138 0.000 1.068 334 A CA -0.561 51.427 52.037 -0.081 0.000 0.744 334 A CB 1.837 20.814 19.000 -0.039 0.000 1.239 334 A HN 0.545 nan 8.150 nan 0.000 0.435 335 V N 2.221 122.042 119.914 -0.156 0.000 2.540 335 V HA 0.289 4.706 4.120 0.495 0.000 0.302 335 V C -0.504 175.488 176.094 -0.170 0.000 1.035 335 V CA -0.760 61.414 62.300 -0.210 0.000 0.873 335 V CB 1.856 33.560 31.823 -0.197 0.000 0.992 335 V HN 0.940 nan 8.190 nan 0.000 0.428 336 D N 3.803 124.096 120.400 -0.178 0.000 2.346 336 D HA 0.200 5.137 4.640 0.495 0.000 0.260 336 D C 1.308 177.516 176.300 -0.153 0.000 1.252 336 D CA 0.376 54.278 54.000 -0.165 0.000 0.895 336 D CB 1.470 42.179 40.800 -0.152 0.000 1.097 336 D HN 0.676 nan 8.370 nan 0.000 0.489 337 R N 3.635 124.032 120.500 -0.171 0.000 2.152 337 R HA -0.160 4.477 4.340 0.495 0.000 0.232 337 R C 2.009 178.217 176.300 -0.153 0.000 1.117 337 R CA 1.602 57.604 56.100 -0.164 0.000 0.981 337 R CB -0.964 29.202 30.300 -0.223 0.000 0.870 337 R HN 0.653 nan 8.270 nan 0.000 0.451 338 Q N -0.659 119.046 119.800 -0.158 0.000 2.269 338 Q HA 0.028 4.665 4.340 0.495 0.000 0.201 338 Q C -0.019 175.923 176.000 -0.095 0.000 0.946 338 Q CA 0.659 56.387 55.803 -0.124 0.000 0.877 338 Q CB 0.419 29.088 28.738 -0.114 0.000 0.963 338 Q HN 0.487 nan 8.270 nan 0.000 0.472 339 N N -0.186 118.452 118.700 -0.103 0.000 2.607 339 N HA 0.151 5.189 4.740 0.495 0.000 0.271 339 N C -2.556 172.890 175.510 -0.108 0.000 1.142 339 N CA -1.926 51.066 53.050 -0.096 0.000 0.810 339 N CB 1.461 39.890 38.487 -0.096 0.000 1.306 339 N HN -0.224 nan 8.380 nan 0.000 0.536 340 P HA 0.061 nan 4.420 nan 0.000 0.234 340 P C 0.224 177.478 177.300 -0.076 0.000 1.167 340 P CA 0.651 63.711 63.100 -0.066 0.000 0.763 340 P CB 0.481 32.177 31.700 -0.008 0.000 0.835 341 D N -0.689 119.650 120.400 -0.101 0.000 2.347 341 D HA 0.046 4.983 4.640 0.495 0.000 0.215 341 D C 0.732 176.892 176.300 -0.232 0.000 0.976 341 D CA 0.473 54.390 54.000 -0.138 0.000 0.884 341 D CB -0.103 40.621 40.800 -0.128 0.000 0.915 341 D HN 0.248 nan 8.370 nan 0.000 0.526 342 I N 2.317 122.752 120.570 -0.226 0.000 2.312 342 I HA 0.235 4.702 4.170 0.495 0.000 0.291 342 I C 0.475 176.415 176.117 -0.295 0.000 1.031 342 I CA -0.389 60.757 61.300 -0.257 0.000 1.293 342 I CB 0.579 38.460 38.000 -0.199 0.000 1.403 342 I HN -0.132 nan 8.210 nan 0.000 0.484 346 T N -0.381 114.313 114.554 0.235 0.000 2.893 346 T HA 0.853 5.500 4.350 0.495 0.000 0.291 346 T C 0.220 175.034 174.700 0.191 0.000 1.028 346 T CA 0.035 62.236 62.100 0.168 0.000 0.995 346 T CB 1.615 70.496 68.868 0.022 0.000 1.051 346 T HN 2.248 nan 8.240 nan 0.000 0.470 350 A N 1.057 123.595 122.820 -0.469 0.000 1.930 350 A HA 0.060 4.677 4.320 0.495 0.000 0.215 350 A C 0.696 178.406 177.584 0.210 0.000 1.176 350 A CA 1.507 53.468 52.037 -0.127 0.000 0.632 350 A CB -0.797 18.119 19.000 -0.141 0.000 0.819 350 A HN 0.998 nan 8.150 nan 0.000 0.445 351 W N -4.308 117.071 121.300 0.132 0.000 0.780 351 W HA -0.282 4.676 4.660 0.497 0.000 0.218 351 W C 0.605 177.239 176.519 0.192 0.000 0.920 351 W CA 1.311 58.739 57.345 0.139 0.000 0.350 351 W CB -1.301 28.237 29.460 0.130 0.000 1.913 351 W HN 0.528 nan 8.180 nan 0.000 1.375 352 W N 3.521 125.000 121.300 0.298 0.000 2.785 352 W HA 0.524 5.480 4.660 0.494 0.000 0.333 352 W C -1.713 174.942 176.519 0.226 0.000 1.062 352 W CA -1.829 55.638 57.345 0.204 0.000 1.233 352 W CB 1.254 30.843 29.460 0.215 0.000 1.413 352 W HN -0.369 nan 8.180 nan 0.000 0.489 353 P HA 0.033 nan 4.420 nan 0.000 0.231 353 P C -0.442 176.484 177.300 -0.622 0.000 1.168 353 P CA 1.282 63.685 63.100 -1.162 0.000 0.779 353 P CB 0.799 31.610 31.700 -1.482 0.000 0.844 354 D N -1.841 118.278 120.400 -0.467 0.000 2.764 354 D HA 0.119 5.056 4.640 0.495 0.000 0.293 354 D C -0.871 175.328 176.300 -0.169 0.000 1.287 354 D CA -0.406 53.411 54.000 -0.304 0.000 0.768 354 D CB 0.799 41.296 40.800 -0.505 0.000 1.288 354 D HN -0.330 nan 8.370 nan 0.000 0.426 355 E N 0.082 120.220 120.200 -0.104 0.000 2.392 355 E HA 0.217 4.864 4.350 0.495 0.000 0.256 355 E C -0.549 176.010 176.600 -0.068 0.000 1.145 355 E CA 0.204 56.551 56.400 -0.088 0.000 0.929 355 E CB 0.209 29.834 29.700 -0.124 0.000 0.998 355 E HN 0.320 nan 8.360 nan 0.000 0.442 356 Y N 0.061 120.235 120.300 -0.209 0.000 2.330 356 Y HA 0.400 5.248 4.550 0.497 0.000 0.336 356 Y C 0.299 175.994 175.900 -0.340 0.000 1.036 356 Y CA -0.526 57.352 58.100 -0.370 0.000 1.125 356 Y CB 1.026 39.231 38.460 -0.425 0.000 1.194 356 Y HN 0.168 nan 8.280 nan 0.000 0.469 357 I N 4.693 125.088 120.570 -0.292 0.000 2.420 357 I HA 0.252 4.720 4.170 0.495 0.000 0.282 357 I C -1.195 174.908 176.117 -0.024 0.000 1.019 357 I CA -0.445 60.782 61.300 -0.122 0.000 1.130 357 I CB 0.733 38.632 38.000 -0.168 0.000 1.262 357 I HN 0.411 nan 8.210 nan 0.000 0.454 358 F N 5.280 125.346 119.950 0.193 0.000 2.404 358 F HA 0.566 5.392 4.527 0.498 0.000 0.339 358 F C 0.514 176.499 175.800 0.308 0.000 1.105 358 F CA -0.439 57.702 58.000 0.235 0.000 1.087 358 F CB 1.319 40.309 39.000 -0.016 0.000 1.143 358 F HN 0.360 nan 8.300 nan 0.000 0.491 359 R N 1.702 122.413 120.500 0.351 0.000 2.599 359 R HA 0.645 5.282 4.340 0.495 0.000 0.295 359 R C -1.227 174.989 176.300 -0.139 0.000 0.963 359 R CA -0.468 55.593 56.100 -0.065 0.000 0.883 359 R CB 1.808 31.601 30.300 -0.847 0.000 1.171 359 R HN 0.687 nan 8.270 nan 0.000 0.450 360 S N 0.892 116.350 115.700 -0.402 0.000 2.513 360 S HA 0.303 5.070 4.470 0.495 0.000 0.299 360 S C 0.272 174.572 174.600 -0.500 0.000 1.087 360 S CA -0.502 57.294 58.200 -0.674 0.000 1.012 360 S CB 1.660 64.019 63.200 -1.403 0.000 1.044 360 S HN 0.722 nan 8.310 nan 0.000 0.485 361 T N -0.318 113.990 114.554 -0.410 0.000 3.085 361 T HA 0.249 4.897 4.350 0.495 0.000 0.264 361 T C -0.139 174.402 174.700 -0.265 0.000 1.019 361 T CA -0.008 61.908 62.100 -0.306 0.000 0.910 361 T CB -0.304 68.412 68.868 -0.252 0.000 1.059 361 T HN 0.619 nan 8.240 nan 0.000 0.542 362 D N 0.381 120.594 120.400 -0.312 0.000 2.804 362 D HA 0.358 5.296 4.640 0.495 0.000 0.308 362 D C 1.246 177.397 176.300 -0.248 0.000 1.371 362 D CA -0.508 53.347 54.000 -0.242 0.000 0.823 362 D CB -0.278 40.395 40.800 -0.211 0.000 1.126 362 D HN 0.302 nan 8.370 nan 0.000 0.467 363 G N -0.114 108.528 108.800 -0.264 0.000 2.225 363 G HA2 -0.030 4.227 3.960 0.495 0.000 0.267 363 G HA3 -0.030 4.227 3.960 0.495 0.000 0.267 363 G C 1.188 175.980 174.900 -0.180 0.000 1.024 363 G CA 0.482 45.492 45.100 -0.150 0.000 0.784 363 G HN 1.519 nan 8.290 nan 0.000 0.507 364 G N -1.974 106.513 108.800 -0.521 0.000 2.176 364 G HA2 0.106 4.363 3.960 0.495 0.000 0.232 364 G HA3 0.106 4.363 3.960 0.495 0.000 0.232 364 G C 1.609 176.266 174.900 -0.405 0.000 0.986 364 G CA 1.193 45.920 45.100 -0.622 0.000 0.643 364 G HN 2.002 nan 8.290 nan 0.000 0.522 365 A N -0.362 122.269 122.820 -0.315 0.000 1.883 365 A HA 0.386 5.003 4.320 0.495 0.000 0.217 365 A C 1.685 179.150 177.584 -0.198 0.000 1.186 365 A CA 2.721 54.643 52.037 -0.193 0.000 0.624 365 A CB -0.466 18.442 19.000 -0.152 0.000 0.822 365 A HN 1.949 nan 8.150 nan 0.000 0.444 366 T N -5.579 108.779 114.554 -0.327 0.000 2.906 366 T HA 0.581 5.228 4.350 0.495 0.000 0.295 366 T C -1.074 173.376 174.700 -0.417 0.000 1.061 366 T CA -0.758 61.208 62.100 -0.223 0.000 1.000 366 T CB 1.340 70.130 68.868 -0.130 0.000 1.103 366 T HN 0.368 nan 8.240 nan 0.000 0.486 367 W N 0.842 122.091 121.300 -0.086 0.000 2.962 367 W HA 0.662 5.615 4.660 0.489 0.000 0.341 367 W C -0.564 175.988 176.519 0.055 0.000 1.155 367 W CA -0.909 56.409 57.345 -0.045 0.000 1.165 367 W CB 1.940 31.345 29.460 -0.093 0.000 1.435 367 W HN 0.928 nan 8.180 nan 0.000 0.546 368 K N 1.482 122.088 120.400 0.343 0.000 2.443 368 K HA 0.565 5.182 4.320 0.495 0.000 0.252 368 K C -1.053 175.811 176.600 0.439 0.000 0.933 368 K CA -0.903 55.566 56.287 0.304 0.000 0.792 368 K CB 2.099 34.651 32.500 0.088 0.000 1.185 368 K HN 0.356 nan 8.250 nan 0.000 0.425 369 N N 2.202 121.080 118.700 0.297 0.000 2.524 369 N HA 0.141 5.178 4.740 0.495 0.000 0.283 369 N C 0.497 176.111 175.510 0.173 0.000 1.142 369 N CA -0.570 52.412 53.050 -0.113 0.000 0.984 369 N CB 0.937 39.027 38.487 -0.663 0.000 1.155 369 N HN 0.835 nan 8.380 nan 0.000 0.467 370 I N 1.399 121.956 120.570 -0.022 0.000 2.916 370 I HA 0.017 4.484 4.170 0.495 0.000 0.267 370 I C -0.225 175.922 176.117 0.049 0.000 1.263 370 I CA 0.272 61.453 61.300 -0.198 0.000 1.471 370 I CB -0.020 37.706 38.000 -0.457 0.000 1.089 370 I HN 0.501 nan 8.210 nan 0.000 0.468 371 W N 0.563 121.803 121.300 -0.100 0.000 3.031 371 W HA 0.632 5.590 4.660 0.497 0.000 0.337 371 W C -1.289 175.112 176.519 -0.197 0.000 1.187 371 W CA -0.871 56.333 57.345 -0.236 0.000 1.166 371 W CB 0.552 29.815 29.460 -0.328 0.000 1.437 371 W HN -0.241 nan 8.180 nan 0.000 0.551 372 E N 0.359 120.623 120.200 0.107 0.000 2.317 372 E HA 0.253 4.900 4.350 0.495 0.000 0.270 372 E C -1.494 175.246 176.600 0.233 0.000 0.885 372 E CA -0.848 55.625 56.400 0.123 0.000 0.760 372 E CB 2.437 32.239 29.700 0.170 0.000 1.227 372 E HN 0.360 nan 8.360 nan 0.000 0.434 373 W N 1.150 122.655 121.300 0.342 0.000 2.251 373 W HA 0.275 5.232 4.660 0.495 0.000 0.327 373 W C 0.985 177.600 176.519 0.160 0.000 1.361 373 W CA -0.099 57.407 57.345 0.269 0.000 1.234 373 W CB 0.631 30.265 29.460 0.290 0.000 1.212 373 W HN 0.542 nan 8.180 nan 0.000 0.557 377 P HA 0.266 nan 4.420 nan 0.000 0.303 377 P C -0.963 176.195 177.300 -0.238 0.000 1.524 377 P CA -0.107 62.542 63.100 -0.751 0.000 1.267 377 P CB 0.695 31.762 31.700 -1.055 0.000 1.596 378 E N 1.630 121.782 120.200 -0.080 0.000 2.481 378 E HA 0.106 4.753 4.350 0.495 0.000 0.263 378 E C 0.035 176.649 176.600 0.024 0.000 0.992 378 E CA 0.501 56.876 56.400 -0.041 0.000 0.938 378 E CB 0.665 30.361 29.700 -0.007 0.000 0.933 378 E HN 0.188 nan 8.360 nan 0.000 0.453 379 R N 2.147 122.581 120.500 -0.111 0.000 2.628 379 R HA 0.424 5.061 4.340 0.495 0.000 0.288 379 R C -0.615 175.582 176.300 -0.171 0.000 0.980 379 R CA -0.841 55.157 56.100 -0.169 0.000 0.891 379 R CB 1.438 31.436 30.300 -0.503 0.000 1.188 379 R HN 0.426 nan 8.270 nan 0.000 0.450 380 I N 4.277 124.771 120.570 -0.125 0.000 2.352 380 I HA 0.202 4.670 4.170 0.495 0.000 0.290 380 I C -0.139 175.746 176.117 -0.387 0.000 1.036 380 I CA -0.282 60.888 61.300 -0.217 0.000 1.336 380 I CB 0.633 38.541 38.000 -0.154 0.000 1.407 380 I HN 0.267 nan 8.210 nan 0.000 0.497 381 L N 6.317 127.269 121.223 -0.452 0.000 2.282 381 L HA 0.350 4.987 4.340 0.495 0.000 0.288 381 L C 0.508 177.041 176.870 -0.562 0.000 1.033 381 L CA -0.701 53.804 54.840 -0.558 0.000 0.807 381 L CB 0.730 42.323 42.059 -0.777 0.000 1.209 381 L HN 0.586 nan 8.230 nan 0.000 0.423 382 H N 3.528 122.466 119.070 -0.220 0.000 2.610 382 H HA 0.186 5.039 4.556 0.495 0.000 0.302 382 H C -0.846 174.309 175.328 -0.288 0.000 1.063 382 H CA 0.076 55.958 56.048 -0.277 0.000 1.159 382 H CB -0.363 29.169 29.762 -0.383 0.000 1.427 382 H HN 0.593 nan 8.280 nan 0.000 0.553 383 Y N -1.890 118.277 120.300 -0.221 0.000 2.638 383 Y HA 0.635 5.483 4.550 0.496 0.000 0.335 383 Y C -1.186 174.619 175.900 -0.159 0.000 1.155 383 Y CA -1.397 56.575 58.100 -0.212 0.000 1.046 383 Y CB 1.419 39.727 38.460 -0.253 0.000 1.303 383 Y HN -0.162 nan 8.280 nan 0.000 0.460 384 E N 1.861 122.062 120.200 0.001 0.000 2.312 384 E HA 0.664 5.311 4.350 0.495 0.000 0.267 384 E C -1.488 175.173 176.600 0.103 0.000 0.894 384 E CA -1.073 55.311 56.400 -0.026 0.000 0.773 384 E CB 3.077 32.747 29.700 -0.050 0.000 1.241 384 E HN 0.633 nan 8.360 nan 0.000 0.432 385 I N 1.575 122.177 120.570 0.054 0.000 2.418 385 I HA 0.214 4.681 4.170 0.495 0.000 0.287 385 I C -0.683 175.433 176.117 -0.001 0.000 1.008 385 I CA -0.654 60.638 61.300 -0.012 0.000 1.104 385 I CB 1.510 39.449 38.000 -0.102 0.000 1.264 385 I HN 0.365 nan 8.210 nan 0.000 0.438 386 D N 7.744 128.152 120.400 0.014 0.000 2.280 386 D HA 0.318 5.256 4.640 0.495 0.000 0.236 386 D C 0.286 176.612 176.300 0.044 0.000 1.082 386 D CA -0.375 53.639 54.000 0.023 0.000 0.834 386 D CB 1.602 42.416 40.800 0.023 0.000 1.100 386 D HN 0.615 nan 8.370 nan 0.000 0.486 387 I N 1.312 121.895 120.570 0.021 0.000 3.877 387 I HA 0.106 4.573 4.170 0.495 0.000 0.332 387 I C 1.539 177.622 176.117 -0.057 0.000 1.525 387 I CA -0.524 60.769 61.300 -0.012 0.000 1.146 387 I CB 0.226 38.208 38.000 -0.030 0.000 1.137 387 I HN 0.128 nan 8.210 nan 0.000 0.424 388 S N 1.806 117.490 115.700 -0.026 0.000 2.420 388 S HA -0.161 4.606 4.470 0.495 0.000 0.237 388 S C 1.974 176.549 174.600 -0.041 0.000 1.023 388 S CA 1.167 59.350 58.200 -0.027 0.000 0.991 388 S CB -0.327 62.868 63.200 -0.008 0.000 0.792 388 S HN 0.627 nan 8.310 nan 0.000 0.488 389 A N 0.750 123.542 122.820 -0.046 0.000 2.169 389 A HA 0.706 5.323 4.320 0.495 0.000 0.212 389 A C 1.257 178.781 177.584 -0.099 0.000 1.153 389 A CA 0.596 52.605 52.037 -0.046 0.000 0.756 389 A CB -0.276 18.715 19.000 -0.015 0.000 0.813 389 A HN 1.245 nan 8.150 nan 0.000 0.471 390 A N -0.528 122.167 122.820 -0.209 0.000 3.124 390 A HA 0.592 5.209 4.320 0.495 0.000 0.295 390 A C -2.336 174.885 177.584 -0.604 0.000 1.199 390 A CA -0.648 51.127 52.037 -0.437 0.000 0.845 390 A CB 0.388 19.019 19.000 -0.615 0.000 1.381 390 A HN 0.037 nan 8.150 nan 0.000 0.537 391 P HA -0.110 nan 4.420 nan 0.000 0.230 391 P C 1.414 178.643 177.300 -0.119 0.000 1.158 391 P CA 0.698 63.698 63.100 -0.167 0.000 0.769 391 P CB -0.128 31.544 31.700 -0.047 0.000 0.807 392 W N -1.145 120.141 121.300 -0.024 0.000 2.825 392 W HA 0.046 5.003 4.660 0.495 0.000 0.243 392 W C 0.796 177.263 176.519 -0.087 0.000 1.293 392 W CA -0.010 57.298 57.345 -0.062 0.000 1.403 392 W CB -1.489 27.954 29.460 -0.029 0.000 1.134 392 W HN -0.065 nan 8.180 nan 0.000 0.666 393 L N 2.164 123.169 121.223 -0.363 0.000 2.362 393 L HA -0.212 4.426 4.340 0.495 0.000 0.219 393 L C 1.979 179.124 176.870 0.458 0.000 1.134 393 L CA 1.828 56.640 54.840 -0.047 0.000 0.807 393 L CB -0.619 41.268 42.059 -0.286 0.000 0.927 393 L HN -0.045 nan 8.230 nan 0.000 0.447 394 D N -2.934 117.654 120.400 0.314 0.000 2.340 394 D HA -0.213 4.724 4.640 0.495 0.000 0.220 394 D C 0.911 177.517 176.300 0.509 0.000 1.039 394 D CA -0.255 53.962 54.000 0.362 0.000 0.866 394 D CB -0.318 40.598 40.800 0.193 0.000 0.913 394 D HN 0.243 nan 8.370 nan 0.000 0.523 395 W N 0.722 122.156 121.300 0.223 0.000 4.233 395 W HA -0.258 4.699 4.660 0.495 0.000 0.328 395 W C 1.221 177.818 176.519 0.129 0.000 1.212 395 W CA 0.557 58.020 57.345 0.197 0.000 0.752 395 W CB -1.696 27.858 29.460 0.157 0.000 2.277 395 W HN 0.449 nan 8.180 nan 0.000 1.465 396 G N 0.869 109.808 108.800 0.231 0.000 2.321 396 G HA2 -0.285 3.972 3.960 0.495 0.000 0.287 396 G HA3 -0.285 3.972 3.960 0.495 0.000 0.287 396 G C 0.097 175.087 174.900 0.150 0.000 1.018 396 G CA 1.064 46.257 45.100 0.155 0.000 0.855 396 G HN 0.319 nan 8.290 nan 0.000 0.507 397 T N -0.161 114.501 114.554 0.180 0.000 2.881 397 T HA 0.430 5.077 4.350 0.495 0.000 0.291 397 T C -0.336 174.426 174.700 0.104 0.000 0.990 397 T CA -0.634 61.550 62.100 0.140 0.000 0.976 397 T CB 2.110 71.076 68.868 0.163 0.000 0.970 397 T HN 0.322 nan 8.240 nan 0.000 0.438 398 E N 3.199 123.440 120.200 0.069 0.000 2.316 398 E HA 0.184 4.831 4.350 0.495 0.000 0.275 398 E C -0.223 176.396 176.600 0.032 0.000 1.029 398 E CA -0.554 55.871 56.400 0.043 0.000 0.871 398 E CB 0.534 30.251 29.700 0.028 0.000 1.022 398 E HN 0.273 nan 8.360 nan 0.000 0.418 399 K N 2.730 123.140 120.400 0.016 0.000 2.106 399 K HA 0.175 4.792 4.320 0.495 0.000 0.246 399 K C -0.212 176.385 176.600 -0.006 0.000 0.987 399 K CA -0.617 55.674 56.287 0.006 0.000 0.904 399 K CB 1.041 33.535 32.500 -0.010 0.000 1.071 399 K HN 0.545 nan 8.250 nan 0.000 0.453 400 Q N 1.795 121.599 119.800 0.006 0.000 2.294 400 Q HA 0.217 4.854 4.340 0.495 0.000 0.257 400 Q C -0.454 175.536 176.000 -0.016 0.000 0.955 400 Q CA -0.414 55.392 55.803 0.004 0.000 0.936 400 Q CB 0.548 29.305 28.738 0.033 0.000 1.188 400 Q HN 0.426 nan 8.270 nan 0.000 0.420 401 L N 6.720 127.908 121.223 -0.060 0.000 2.573 401 L HA -0.052 4.585 4.340 0.495 0.000 0.290 401 L C -1.262 175.548 176.870 -0.101 0.000 1.247 401 L CA -0.737 54.030 54.840 -0.120 0.000 0.876 401 L CB 0.221 42.193 42.059 -0.145 0.000 1.123 401 L HN 0.717 nan 8.230 nan 0.000 0.505 402 P HA -0.013 nan 4.420 nan 0.000 0.245 402 P C -0.007 177.069 177.300 -0.373 0.000 1.212 402 P CA 0.471 63.402 63.100 -0.281 0.000 0.774 402 P CB 0.282 31.839 31.700 -0.238 0.000 0.999 403 E N 0.516 120.576 120.200 -0.233 0.000 2.354 403 E HA 0.382 5.029 4.350 0.495 0.000 0.269 403 E C -0.093 176.400 176.600 -0.178 0.000 1.036 403 E CA -0.109 56.159 56.400 -0.221 0.000 0.876 403 E CB 0.657 30.312 29.700 -0.075 0.000 1.009 403 E HN 0.158 nan 8.360 nan 0.000 0.416 404 I N 2.811 123.274 120.570 -0.179 0.000 2.548 404 I HA 0.211 4.679 4.170 0.495 0.000 0.287 404 I C -0.755 175.330 176.117 -0.053 0.000 1.103 404 I CA -0.894 60.332 61.300 -0.123 0.000 1.049 404 I CB 1.749 39.647 38.000 -0.170 0.000 1.232 404 I HN 0.329 nan 8.210 nan 0.000 0.429 405 N N 6.824 125.526 118.700 0.003 0.000 2.473 405 N HA 0.492 5.529 4.740 0.495 0.000 0.291 405 N C -2.433 173.120 175.510 0.072 0.000 1.083 405 N CA -1.432 51.663 53.050 0.075 0.000 0.951 405 N CB 1.162 39.727 38.487 0.131 0.000 1.164 405 N HN 0.328 nan 8.380 nan 0.000 0.480 406 P HA 0.173 nan 4.420 nan 0.000 0.275 406 P C -0.529 176.836 177.300 0.108 0.000 1.228 406 P CA -0.127 63.072 63.100 0.164 0.000 0.786 406 P CB 1.262 33.061 31.700 0.166 0.000 0.927 407 K N 1.336 121.840 120.400 0.173 0.000 2.154 407 K HA 0.216 4.833 4.320 0.495 0.000 0.264 407 K C 1.650 178.258 176.600 0.013 0.000 1.008 407 K CA -0.661 55.690 56.287 0.107 0.000 0.937 407 K CB 0.563 33.218 32.500 0.258 0.000 1.002 407 K HN 0.339 nan 8.250 nan 0.000 0.469 408 L N 0.883 122.030 121.223 -0.127 0.000 2.043 408 L HA -0.229 4.408 4.340 0.495 0.000 0.212 408 L C 1.266 178.175 176.870 0.064 0.000 1.075 408 L CA 1.760 56.468 54.840 -0.219 0.000 0.752 408 L CB -0.415 41.441 42.059 -0.338 0.000 0.891 408 L HN 1.030 nan 8.230 nan 0.000 0.432 409 G N -2.739 106.127 108.800 0.109 0.000 2.356 409 G HA2 0.223 4.481 3.960 0.495 0.000 0.266 409 G HA3 0.223 4.481 3.960 0.495 0.000 0.266 409 G C -2.290 172.740 174.900 0.217 0.000 1.312 409 G CA -0.399 44.730 45.100 0.048 0.000 0.922 409 G HN 0.202 nan 8.290 nan 0.000 0.480 413 G N 1.263 110.263 108.800 0.334 0.000 3.042 413 G HA2 0.112 4.370 3.960 0.495 0.000 0.212 413 G HA3 0.112 4.370 3.960 0.495 0.000 0.212 413 G C -0.063 175.097 174.900 0.434 0.000 1.166 413 G CA 0.511 45.854 45.100 0.405 0.000 0.767 413 G HN 0.478 nan 8.290 nan 0.000 0.546 414 D N -0.788 119.793 120.400 0.301 0.000 2.977 414 D HA 0.513 5.450 4.640 0.495 0.000 0.220 414 D C -1.418 174.976 176.300 0.155 0.000 1.267 414 D CA -0.506 53.601 54.000 0.177 0.000 0.884 414 D CB 2.011 42.926 40.800 0.192 0.000 1.667 414 D HN -0.032 nan 8.370 nan 0.000 0.536 415 I N 1.805 122.416 120.570 0.069 0.000 2.656 415 I HA 0.455 4.923 4.170 0.495 0.000 0.292 415 I C -1.509 174.657 176.117 0.082 0.000 1.144 415 I CA -0.468 60.911 61.300 0.133 0.000 1.038 415 I CB 1.623 39.690 38.000 0.112 0.000 1.244 415 I HN 0.212 nan 8.210 nan 0.000 0.420 416 E N 7.451 127.737 120.200 0.144 0.000 2.272 416 E HA 0.489 5.136 4.350 0.495 0.000 0.269 416 E C -1.199 175.412 176.600 0.018 0.000 0.877 416 E CA -0.547 55.921 56.400 0.113 0.000 0.755 416 E CB 3.030 32.934 29.700 0.340 0.000 1.192 416 E HN 0.505 nan 8.360 nan 0.000 0.422 417 I N 1.648 122.141 120.570 -0.129 0.000 2.359 417 I HA 0.077 4.544 4.170 0.495 0.000 0.294 417 I C 0.483 176.274 176.117 -0.543 0.000 0.987 417 I CA -0.739 60.430 61.300 -0.218 0.000 1.225 417 I CB 1.018 38.925 38.000 -0.154 0.000 1.366 417 I HN 0.290 nan 8.210 nan 0.000 0.466 418 D N 9.247 129.272 120.400 -0.626 0.000 2.472 418 D HA 0.001 4.938 4.640 0.495 0.000 0.248 418 D C -1.513 174.498 176.300 -0.481 0.000 1.174 418 D CA -1.498 51.983 54.000 -0.865 0.000 0.883 418 D CB 1.216 41.841 40.800 -0.292 0.000 1.149 418 D HN 0.254 nan 8.370 nan 0.000 0.488 419 P HA -0.051 nan 4.420 nan 0.000 0.234 419 P C 0.517 177.452 177.300 -0.608 0.000 1.167 419 P CA 0.637 63.465 63.100 -0.452 0.000 0.763 419 P CB -0.028 31.410 31.700 -0.437 0.000 0.835 420 F N -1.272 118.625 119.950 -0.088 0.000 2.706 420 F HA 0.322 5.147 4.527 0.497 0.000 0.313 420 F C 0.713 176.495 175.800 -0.030 0.000 1.096 420 F CA -0.194 57.790 58.000 -0.028 0.000 1.219 420 F CB 0.311 39.323 39.000 0.020 0.000 1.051 420 F HN -0.146 nan 8.300 nan 0.000 0.568 421 N N -0.532 118.197 118.700 0.048 0.000 2.629 421 N HA 0.096 5.133 4.740 0.495 0.000 0.277 421 N C 0.197 175.690 175.510 -0.029 0.000 1.188 421 N CA 0.094 53.162 53.050 0.030 0.000 0.835 421 N CB 1.169 39.698 38.487 0.069 0.000 1.420 421 N HN -0.222 nan 8.380 nan 0.000 0.542 422 S N 1.010 116.689 115.700 -0.034 0.000 2.440 422 S HA -0.090 4.678 4.470 0.495 0.000 0.238 422 S C 0.846 175.438 174.600 -0.013 0.000 1.010 422 S CA 0.815 58.988 58.200 -0.046 0.000 0.972 422 S CB 0.122 63.294 63.200 -0.046 0.000 0.774 422 S HN 0.566 nan 8.310 nan 0.000 0.501 423 D N 0.288 120.695 120.400 0.012 0.000 2.349 423 D HA 0.087 5.024 4.640 0.495 0.000 0.215 423 D C 0.995 177.325 176.300 0.050 0.000 1.016 423 D CA 0.325 54.348 54.000 0.039 0.000 0.870 423 D CB 0.286 41.112 40.800 0.045 0.000 0.917 423 D HN 0.338 nan 8.370 nan 0.000 0.524 428 V N 0.381 120.435 119.914 0.235 0.000 2.716 428 V HA 0.983 5.400 4.120 0.495 0.000 0.304 428 V C -0.050 176.178 176.094 0.222 0.000 1.053 428 V CA 0.332 62.711 62.300 0.132 0.000 0.984 428 V CB 1.092 32.991 31.823 0.127 0.000 1.021 428 V HN 1.485 nan 8.190 nan 0.000 0.467 429 T N 0.171 114.772 114.554 0.079 0.000 2.831 429 T HA 0.623 5.270 4.350 0.495 0.000 0.287 429 T C 1.053 175.742 174.700 -0.018 0.000 1.070 429 T CA -0.067 61.989 62.100 -0.073 0.000 1.010 429 T CB 1.247 69.891 68.868 -0.372 0.000 1.264 429 T HN 1.250 nan 8.240 nan 0.000 0.532 430 G N -0.689 107.891 108.800 -0.366 0.000 2.625 430 G HA2 0.307 4.564 3.960 0.495 0.000 0.214 430 G HA3 0.307 4.564 3.960 0.495 0.000 0.214 430 G C 1.064 176.093 174.900 0.215 0.000 1.132 430 G CA 0.664 45.751 45.100 -0.021 0.000 0.782 430 G HN 1.187 nan 8.290 nan 0.000 0.538 431 A N -1.925 120.916 122.820 0.035 0.000 2.242 431 A HA 0.580 5.198 4.320 0.495 0.000 0.205 431 A C 0.831 178.525 177.584 0.183 0.000 1.353 431 A CA 1.293 53.507 52.037 0.294 0.000 1.005 431 A CB 0.775 20.147 19.000 0.620 0.000 1.127 431 A HN 0.309 nan 8.150 nan 0.000 0.498 432 T N -1.297 113.207 114.554 -0.083 0.000 2.665 432 T HA 0.580 5.227 4.350 0.495 0.000 0.303 432 T C -1.980 172.530 174.700 -0.315 0.000 1.334 432 T CA -0.338 61.626 62.100 -0.226 0.000 1.011 432 T CB 0.844 69.431 68.868 -0.468 0.000 1.573 432 T HN 0.158 nan 8.240 nan 0.000 0.492 433 I N 2.274 122.626 120.570 -0.364 0.000 2.389 433 I HA 0.461 4.928 4.170 0.495 0.000 0.288 433 I C -1.151 174.706 176.117 -0.432 0.000 0.999 433 I CA -0.734 60.370 61.300 -0.327 0.000 1.129 433 I CB 1.382 39.289 38.000 -0.154 0.000 1.288 433 I HN 0.546 nan 8.210 nan 0.000 0.444 434 Y N 3.633 123.639 120.300 -0.491 0.000 2.488 434 Y HA 0.856 5.703 4.550 0.495 0.000 0.325 434 Y C 0.780 176.424 175.900 -0.425 0.000 1.204 434 Y CA -0.688 57.093 58.100 -0.531 0.000 1.229 434 Y CB 2.063 40.007 38.460 -0.861 0.000 1.274 434 Y HN 0.606 nan 8.280 nan 0.000 0.493 435 G N -0.901 107.900 108.800 0.002 0.000 2.441 435 G HA2 0.508 4.765 3.960 0.495 0.000 0.294 435 G HA3 0.508 4.765 3.960 0.495 0.000 0.294 435 G C -1.723 173.227 174.900 0.084 0.000 1.393 435 G CA -0.430 44.699 45.100 0.048 0.000 0.796 435 G HN 1.065 nan 8.290 nan 0.000 0.494 436 C N -1.656 117.701 119.300 0.095 0.000 3.171 436 C HA 0.879 5.636 4.460 0.495 0.000 0.308 436 C C -0.367 174.674 174.990 0.085 0.000 1.334 436 C CA -0.714 58.358 59.018 0.090 0.000 1.473 436 C CB 1.919 29.717 27.740 0.098 0.000 1.866 436 C HN 0.689 nan 8.230 nan 0.000 0.465 437 D N 0.623 121.070 120.400 0.078 0.000 2.503 437 D HA 0.088 5.025 4.640 0.495 0.000 0.218 437 D C 0.268 176.609 176.300 0.068 0.000 1.183 437 D CA 0.396 54.440 54.000 0.074 0.000 0.827 437 D CB 0.195 41.039 40.800 0.075 0.000 1.034 437 D HN 0.803 nan 8.370 nan 0.000 0.510 438 N N 1.243 119.986 118.700 0.073 0.000 2.497 438 N HA -0.014 5.023 4.740 0.495 0.000 0.284 438 N C 1.270 176.838 175.510 0.097 0.000 1.459 438 N CA -0.346 52.748 53.050 0.073 0.000 0.899 438 N CB 0.201 38.726 38.487 0.063 0.000 1.316 438 N HN -0.054 nan 8.380 nan 0.000 0.500 439 L N 1.859 123.147 121.223 0.108 0.000 2.051 439 L HA -0.176 4.461 4.340 0.495 0.000 0.214 439 L C 2.223 179.201 176.870 0.180 0.000 1.076 439 L CA 2.635 57.570 54.840 0.159 0.000 0.758 439 L CB -1.232 40.908 42.059 0.135 0.000 0.890 439 L HN 0.509 nan 8.230 nan 0.000 0.433 440 T N -4.955 109.662 114.554 0.105 0.000 3.072 440 T HA -0.112 4.535 4.350 0.495 0.000 0.266 440 T C 1.539 176.300 174.700 0.103 0.000 1.127 440 T CA 0.878 63.025 62.100 0.077 0.000 1.107 440 T CB -0.644 68.240 68.868 0.026 0.000 0.910 440 T HN 0.313 nan 8.240 nan 0.000 0.513 441 D N 0.462 120.935 120.400 0.122 0.000 2.190 441 D HA -0.102 4.835 4.640 0.495 0.000 0.200 441 D C 1.347 177.757 176.300 0.185 0.000 0.992 441 D CA 0.762 54.833 54.000 0.119 0.000 0.854 441 D CB -0.485 40.373 40.800 0.096 0.000 0.936 441 D HN 0.495 nan 8.370 nan 0.000 0.462 442 W N 2.198 123.497 121.300 -0.000 0.000 2.321 442 W HA -0.164 4.794 4.660 0.497 0.000 0.306 442 W C 1.153 177.645 176.519 -0.046 0.000 1.217 442 W CA 1.232 58.565 57.345 -0.019 0.000 1.257 442 W CB -0.524 28.931 29.460 -0.009 0.000 1.145 442 W HN -0.030 nan 8.180 nan 0.000 0.509 443 D N -0.378 120.091 120.400 0.115 0.000 2.312 443 D HA -0.120 4.817 4.640 0.495 0.000 0.211 443 D C 1.758 178.059 176.300 0.002 0.000 0.964 443 D CA 1.159 55.136 54.000 -0.038 0.000 0.877 443 D CB -0.293 40.458 40.800 -0.082 0.000 0.924 443 D HN 0.432 nan 8.370 nan 0.000 0.515 444 R N -0.823 119.706 120.500 0.048 0.000 2.613 444 R HA 0.402 5.039 4.340 0.495 0.000 0.361 444 R C 0.898 177.230 176.300 0.054 0.000 1.072 444 R CA 0.275 56.397 56.100 0.036 0.000 1.089 444 R CB -0.025 30.291 30.300 0.028 0.000 1.343 444 R HN -0.052 nan 8.270 nan 0.000 0.571 445 G N -0.067 108.782 108.800 0.082 0.000 2.157 445 G HA2 -0.255 4.002 3.960 0.495 0.000 0.248 445 G HA3 -0.255 4.002 3.960 0.495 0.000 0.248 445 G C 0.287 175.238 174.900 0.085 0.000 0.979 445 G CA -0.163 44.985 45.100 0.080 0.000 0.650 445 G HN 0.698 nan 8.290 nan 0.000 0.529 446 G N -0.666 108.190 108.800 0.092 0.000 2.535 446 G HA2 0.602 4.859 3.960 0.495 0.000 0.303 446 G HA3 0.602 4.859 3.960 0.495 0.000 0.303 446 G C -0.146 174.792 174.900 0.063 0.000 1.237 446 G CA -0.670 44.473 45.100 0.071 0.000 0.986 446 G HN 0.344 nan 8.290 nan 0.000 0.494 447 K N -0.318 120.098 120.400 0.027 0.000 2.156 447 K HA 0.387 5.004 4.320 0.495 0.000 0.271 447 K C -0.379 176.217 176.600 -0.007 0.000 0.995 447 K CA -0.543 55.733 56.287 -0.018 0.000 0.890 447 K CB 2.144 34.619 32.500 -0.043 0.000 1.073 447 K HN 0.165 nan 8.250 nan 0.000 0.454 448 V N 4.047 123.931 119.914 -0.050 0.000 2.529 448 V HA -0.014 4.404 4.120 0.495 0.000 0.292 448 V C 0.407 176.515 176.094 0.024 0.000 1.028 448 V CA 0.156 62.453 62.300 -0.004 0.000 1.074 448 V CB 0.130 31.912 31.823 -0.069 0.000 0.958 448 V HN 0.591 nan 8.190 nan 0.000 0.481 449 K N 6.275 126.698 120.400 0.039 0.000 2.244 449 K HA 0.444 5.061 4.320 0.495 0.000 0.263 449 K C -0.467 176.160 176.600 0.045 0.000 1.103 449 K CA -0.177 56.132 56.287 0.037 0.000 0.966 449 K CB 0.773 33.293 32.500 0.032 0.000 1.429 449 K HN 0.554 nan 8.250 nan 0.000 0.434 450 I N 2.998 123.589 120.570 0.035 0.000 2.474 450 I HA 0.016 4.483 4.170 0.495 0.000 0.287 450 I C 0.699 176.833 176.117 0.028 0.000 1.048 450 I CA 0.087 61.396 61.300 0.015 0.000 1.383 450 I CB 0.621 38.570 38.000 -0.085 0.000 1.412 450 I HN 0.559 nan 8.210 nan 0.000 0.531 451 E N 4.335 124.586 120.200 0.086 0.000 2.429 451 E HA 0.486 5.133 4.350 0.495 0.000 0.276 451 E C -1.345 175.385 176.600 0.217 0.000 0.953 451 E CA -1.073 55.403 56.400 0.126 0.000 0.787 451 E CB 1.655 31.407 29.700 0.086 0.000 1.307 451 E HN 0.167 nan 8.360 nan 0.000 0.458 452 V N 2.184 122.199 119.914 0.168 0.000 2.557 452 V HA -0.006 4.411 4.120 0.495 0.000 0.301 452 V C 0.441 176.574 176.094 0.065 0.000 1.026 452 V CA 0.420 62.737 62.300 0.029 0.000 1.137 452 V CB 0.169 31.956 31.823 -0.061 0.000 0.917 452 V HN 0.644 nan 8.190 nan 0.000 0.484 453 K N 3.946 124.380 120.400 0.057 0.000 2.792 453 K HA 0.410 5.027 4.320 0.495 0.000 0.207 453 K C 0.592 177.420 176.600 0.381 0.000 1.103 453 K CA 0.205 56.614 56.287 0.203 0.000 1.048 453 K CB 1.445 34.018 32.500 0.121 0.000 0.777 453 K HN 0.722 nan 8.250 nan 0.000 0.468 454 A N 0.581 123.538 122.820 0.228 0.000 2.564 454 A HA 0.158 4.775 4.320 0.495 0.000 0.279 454 A C 0.357 178.083 177.584 0.237 0.000 1.232 454 A CA -0.161 52.006 52.037 0.216 0.000 0.950 454 A CB 0.114 19.085 19.000 -0.048 0.000 1.138 454 A HN 0.016 nan 8.150 nan 0.000 0.526 455 T N 0.251 114.958 114.554 0.255 0.000 2.888 455 T HA 0.422 5.069 4.350 0.495 0.000 0.301 455 T C 1.502 176.323 174.700 0.201 0.000 1.001 455 T CA 1.343 63.538 62.100 0.159 0.000 1.147 455 T CB 0.880 69.797 68.868 0.081 0.000 0.931 455 T HN 1.376 nan 8.240 nan 0.000 0.541 456 G N 3.067 111.960 108.800 0.155 0.000 2.284 456 G HA2 -0.219 4.038 3.960 0.495 0.000 0.230 456 G HA3 -0.219 4.038 3.960 0.495 0.000 0.230 456 G C 0.237 175.243 174.900 0.178 0.000 1.021 456 G CA -0.429 44.790 45.100 0.198 0.000 0.619 456 G HN 0.723 nan 8.290 nan 0.000 0.510 457 I N 1.925 122.474 120.570 -0.034 0.000 2.471 457 I HA 0.349 4.816 4.170 0.495 0.000 0.286 457 I C -0.252 175.879 176.117 0.024 0.000 1.079 457 I CA 0.116 61.219 61.300 -0.328 0.000 1.398 457 I CB 0.924 38.537 38.000 -0.644 0.000 1.403 457 I HN 0.009 nan 8.210 nan 0.000 0.530 458 E N 6.789 127.101 120.200 0.186 0.000 2.279 458 E HA 0.191 4.838 4.350 0.495 0.000 0.252 458 E C -0.271 176.451 176.600 0.203 0.000 0.894 458 E CA -0.110 56.396 56.400 0.177 0.000 0.785 458 E CB 1.867 31.675 29.700 0.180 0.000 1.237 458 E HN 0.590 nan 8.360 nan 0.000 0.418 459 E N 1.208 121.498 120.200 0.149 0.000 2.583 459 E HA 0.122 4.769 4.350 0.495 0.000 0.213 459 E C -0.280 176.393 176.600 0.121 0.000 0.989 459 E CA -0.139 56.354 56.400 0.154 0.000 0.991 459 E CB 0.585 30.371 29.700 0.143 0.000 1.040 459 E HN 0.395 nan 8.360 nan 0.000 0.481 460 C N 1.585 120.940 119.300 0.092 0.000 2.662 460 C HA 0.355 5.113 4.460 0.495 0.000 0.420 460 C C 0.840 175.864 174.990 0.056 0.000 1.314 460 C CA -0.356 58.702 59.018 0.066 0.000 1.963 460 C CB 0.143 27.907 27.740 0.040 0.000 2.686 460 C HN 0.412 nan 8.230 nan 0.000 0.609 461 A N 3.765 126.616 122.820 0.051 0.000 2.310 461 A HA 0.533 5.150 4.320 0.495 0.000 0.300 461 A C -0.254 177.330 177.584 0.001 0.000 1.269 461 A CA -0.182 51.872 52.037 0.027 0.000 0.909 461 A CB 0.063 19.089 19.000 0.042 0.000 1.144 461 A HN 0.755 nan 8.150 nan 0.000 0.540 462 V N 4.938 124.841 119.914 -0.018 0.000 2.407 462 V HA 0.193 4.610 4.120 0.495 0.000 0.278 462 V C 0.979 177.050 176.094 -0.039 0.000 1.037 462 V CA -0.096 62.190 62.300 -0.023 0.000 0.900 462 V CB 1.029 32.837 31.823 -0.025 0.000 0.983 462 V HN 0.919 nan 8.190 nan 0.000 0.459 463 L N 1.826 123.027 121.223 -0.037 0.000 2.425 463 L HA 0.440 5.077 4.340 0.495 0.000 0.215 463 L C 0.351 177.200 176.870 -0.034 0.000 1.065 463 L CA 0.629 55.443 54.840 -0.043 0.000 0.842 463 L CB 0.325 42.354 42.059 -0.050 0.000 1.033 463 L HN 0.612 nan 8.230 nan 0.000 0.474 464 D N -0.785 119.599 120.400 -0.025 0.000 2.654 464 D HA 0.608 5.545 4.640 0.495 0.000 0.231 464 D C -1.517 174.783 176.300 0.001 0.000 1.239 464 D CA -0.240 53.754 54.000 -0.010 0.000 0.790 464 D CB 2.408 43.202 40.800 -0.011 0.000 1.480 464 D HN -0.197 nan 8.370 nan 0.000 0.442 465 L N 1.209 122.438 121.223 0.010 0.000 2.493 465 L HA 0.631 5.268 4.340 0.495 0.000 0.265 465 L C -0.783 176.100 176.870 0.023 0.000 0.954 465 L CA -1.106 53.730 54.840 -0.006 0.000 0.844 465 L CB 2.135 44.169 42.059 -0.040 0.000 1.302 465 L HN 0.305 nan 8.230 nan 0.000 0.405 466 V N -0.820 119.101 119.914 0.013 0.000 2.789 466 V HA 0.694 5.111 4.120 0.495 0.000 0.311 466 V C -0.430 175.608 176.094 -0.094 0.000 1.073 466 V CA -0.559 61.780 62.300 0.065 0.000 0.921 466 V CB 1.915 33.887 31.823 0.248 0.000 1.009 466 V HN 0.725 nan 8.190 nan 0.000 0.426 467 S N 5.516 121.168 115.700 -0.080 0.000 2.516 467 S HA 0.573 5.340 4.470 0.495 0.000 0.268 467 S C -2.206 172.259 174.600 -0.226 0.000 1.251 467 S CA -1.304 56.792 58.200 -0.174 0.000 1.153 467 S CB 0.596 63.760 63.200 -0.060 0.000 1.009 467 S HN 0.868 nan 8.310 nan 0.000 0.479 468 P HA 0.244 nan 4.420 nan 0.000 0.272 468 P C -2.248 174.858 177.300 -0.324 0.000 1.223 468 P CA -1.345 61.306 63.100 -0.747 0.000 0.784 468 P CB 0.432 31.717 31.700 -0.692 0.000 0.923 469 P HA 0.026 nan 4.420 nan 0.000 0.233 469 P C 0.056 177.326 177.300 -0.050 0.000 1.167 469 P CA 1.187 64.251 63.100 -0.060 0.000 0.770 469 P CB 0.646 32.358 31.700 0.020 0.000 0.837 470 E N -1.191 118.959 120.200 -0.084 0.000 2.367 470 E HA 0.502 5.150 4.350 0.495 0.000 0.273 470 E C 0.114 176.670 176.600 -0.074 0.000 0.903 470 E CA -0.672 55.698 56.400 -0.051 0.000 0.764 470 E CB 2.225 31.913 29.700 -0.021 0.000 1.252 470 E HN 0.024 nan 8.360 nan 0.000 0.446 471 G N 1.085 109.856 108.800 -0.047 0.000 2.499 471 G HA2 -0.082 4.175 3.960 0.495 0.000 0.232 471 G HA3 -0.082 4.175 3.960 0.495 0.000 0.232 471 G C -0.194 174.678 174.900 -0.047 0.000 1.251 471 G CA -0.480 44.592 45.100 -0.046 0.000 0.917 471 G HN 0.832 nan 8.290 nan 0.000 0.580 472 A N 1.396 124.188 122.820 -0.046 0.000 2.483 472 A HA 0.581 5.199 4.320 0.495 0.000 0.238 472 A C -0.018 177.529 177.584 -0.063 0.000 1.070 472 A CA 0.531 52.547 52.037 -0.034 0.000 0.770 472 A CB 0.156 19.151 19.000 -0.009 0.000 1.008 472 A HN 0.718 nan 8.150 nan 0.000 0.497 473 P HA 0.026 nan 4.420 nan 0.000 0.223 473 P C -0.120 177.046 177.300 -0.223 0.000 1.151 473 P CA 0.924 63.980 63.100 -0.072 0.000 0.787 473 P CB 0.034 31.729 31.700 -0.009 0.000 0.788 474 L N -1.050 120.050 121.223 -0.206 0.000 2.545 474 L HA 0.404 5.041 4.340 0.495 0.000 0.258 474 L C -1.554 175.312 176.870 -0.006 0.000 0.942 474 L CA -0.931 53.724 54.840 -0.307 0.000 0.855 474 L CB 2.617 44.312 42.059 -0.606 0.000 1.374 474 L HN -0.411 nan 8.230 nan 0.000 0.411 475 V N 2.531 122.457 119.914 0.019 0.000 2.577 475 V HA 0.808 5.225 4.120 0.495 0.000 0.303 475 V C -0.339 175.866 176.094 0.186 0.000 1.042 475 V CA -0.339 62.077 62.300 0.192 0.000 0.872 475 V CB 1.830 33.745 31.823 0.153 0.000 0.998 475 V HN 0.864 nan 8.190 nan 0.000 0.423 476 S N 2.848 118.727 115.700 0.297 0.000 2.648 476 S HA 0.970 5.738 4.470 0.495 0.000 0.305 476 S C -0.384 174.310 174.600 0.155 0.000 1.094 476 S CA -0.446 57.872 58.200 0.196 0.000 0.983 476 S CB 2.323 65.684 63.200 0.268 0.000 1.101 476 S HN 1.546 nan 8.310 nan 0.000 0.514 477 A N 0.883 123.733 122.820 0.050 0.000 2.357 477 A HA 0.744 5.361 4.320 0.495 0.000 0.295 477 A C -0.401 177.156 177.584 -0.045 0.000 1.121 477 A CA -0.640 51.383 52.037 -0.025 0.000 0.742 477 A CB 0.817 19.784 19.000 -0.055 0.000 1.181 477 A HN 1.933 nan 8.150 nan 0.000 0.454 478 V N 0.256 120.119 119.914 -0.085 0.000 3.040 478 V HA 0.971 5.388 4.120 0.495 0.000 0.312 478 V C 0.390 176.440 176.094 -0.072 0.000 1.115 478 V CA -0.230 62.034 62.300 -0.059 0.000 0.998 478 V CB 1.396 33.207 31.823 -0.019 0.000 1.042 478 V HN 1.543 nan 8.190 nan 0.000 0.433 479 G N 1.476 110.257 108.800 -0.032 0.000 2.353 479 G HA2 0.448 4.705 3.960 0.495 0.000 0.239 479 G HA3 0.448 4.705 3.960 0.495 0.000 0.239 479 G C 0.172 175.077 174.900 0.008 0.000 1.295 479 G CA 0.983 46.079 45.100 -0.008 0.000 0.884 479 G HN 1.391 nan 8.290 nan 0.000 0.537 480 D N 0.070 120.493 120.400 0.038 0.000 2.734 480 D HA -0.177 4.760 4.640 0.495 0.000 0.194 480 D C 1.494 177.867 176.300 0.122 0.000 1.459 480 D CA 1.580 55.655 54.000 0.125 0.000 1.925 480 D CB -0.781 40.126 40.800 0.178 0.000 1.370 480 D HN 0.340 nan 8.370 nan 0.000 0.511 481 L N 0.333 121.512 121.223 -0.073 0.000 2.693 481 L HA 0.304 4.941 4.340 0.495 0.000 0.235 481 L C 1.703 178.267 176.870 -0.509 0.000 1.127 481 L CA 0.533 55.181 54.840 -0.320 0.000 0.914 481 L CB 0.815 42.593 42.059 -0.468 0.000 1.193 481 L HN 0.211 nan 8.230 nan 0.000 0.502 482 V N -1.209 118.519 119.914 -0.310 0.000 0.508 482 V HA -0.199 4.218 4.120 0.495 0.000 0.092 482 V C 0.888 176.735 176.094 -0.412 0.000 2.282 482 V CA 1.310 63.423 62.300 -0.311 0.000 3.591 482 V CB -1.980 29.667 31.823 -0.294 0.000 0.878 482 V HN 0.770 nan 8.190 nan 0.000 0.919 483 G N -1.155 107.128 108.800 -0.861 0.000 2.351 483 G HA2 0.506 4.763 3.960 0.495 0.000 0.353 483 G HA3 0.506 4.763 3.960 0.495 0.000 0.353 483 G C -1.431 172.463 174.900 -1.676 0.000 1.358 483 G CA -0.258 44.350 45.100 -0.820 0.000 0.995 483 G HN 1.165 nan 8.290 nan 0.000 0.611 484 F N -1.238 118.273 119.950 -0.732 0.000 2.645 484 F HA 0.631 5.455 4.527 0.495 0.000 0.310 484 F C 0.308 175.887 175.800 -0.369 0.000 1.102 484 F CA -1.109 56.427 58.000 -0.774 0.000 0.952 484 F CB 2.260 40.812 39.000 -0.746 0.000 1.326 484 F HN 0.367 nan 8.300 nan 0.000 0.456 485 V N 2.060 121.980 119.914 0.011 0.000 2.432 485 V HA 0.165 4.582 4.120 0.495 0.000 0.271 485 V C -0.232 175.768 176.094 -0.156 0.000 1.046 485 V CA -0.474 61.865 62.300 0.064 0.000 0.945 485 V CB 0.189 32.088 31.823 0.126 0.000 0.992 485 V HN 0.599 nan 8.190 nan 0.000 0.471 486 H N 4.426 123.514 119.070 0.029 0.000 2.818 486 H HA 0.226 5.079 4.556 0.495 0.000 0.269 486 H C 0.242 175.545 175.328 -0.042 0.000 1.277 486 H CA -0.459 55.571 56.048 -0.030 0.000 1.290 486 H CB 0.919 30.633 29.762 -0.080 0.000 1.479 486 H HN 0.677 nan 8.280 nan 0.000 0.507 487 D N 0.841 121.262 120.400 0.035 0.000 2.178 487 D HA -0.098 4.839 4.640 0.495 0.000 0.202 487 D C 0.409 176.716 176.300 0.013 0.000 0.974 487 D CA 1.521 55.531 54.000 0.017 0.000 0.841 487 D CB 0.657 41.462 40.800 0.008 0.000 0.953 487 D HN 0.489 nan 8.370 nan 0.000 0.478 488 D N -0.485 119.925 120.400 0.018 0.000 2.936 488 D HA 0.129 5.066 4.640 0.495 0.000 0.238 488 D C 1.023 177.325 176.300 0.002 0.000 1.248 488 D CA -0.428 53.574 54.000 0.004 0.000 0.903 488 D CB 1.822 42.626 40.800 0.006 0.000 1.544 488 D HN -0.151 nan 8.370 nan 0.000 0.543 489 L N 2.596 123.790 121.223 -0.049 0.000 2.362 489 L HA -0.021 4.616 4.340 0.495 0.000 0.219 489 L C 1.826 178.678 176.870 -0.030 0.000 1.134 489 L CA 0.869 55.641 54.840 -0.114 0.000 0.807 489 L CB -0.040 41.791 42.059 -0.380 0.000 0.927 489 L HN 0.191 nan 8.230 nan 0.000 0.447 490 K N -0.649 119.758 120.400 0.012 0.000 2.374 490 K HA 0.196 4.813 4.320 0.495 0.000 0.196 490 K C -0.283 176.340 176.600 0.038 0.000 1.023 490 K CA -0.057 56.259 56.287 0.049 0.000 1.103 490 K CB 0.871 33.404 32.500 0.056 0.000 0.848 490 K HN 0.003 nan 8.250 nan 0.000 0.528 491 V N 1.258 121.188 119.914 0.027 0.000 2.409 491 V HA 0.328 4.745 4.120 0.495 0.000 0.291 491 V C 0.419 176.520 176.094 0.011 0.000 1.020 491 V CA -1.259 61.052 62.300 0.018 0.000 0.848 491 V CB 1.387 33.217 31.823 0.011 0.000 0.990 491 V HN 0.242 nan 8.190 nan 0.000 0.430 492 G N 5.783 114.585 108.800 0.003 0.000 2.340 492 G HA2 0.396 4.653 3.960 0.495 0.000 0.245 492 G HA3 0.396 4.653 3.960 0.495 0.000 0.245 492 G C -2.469 172.395 174.900 -0.060 0.000 1.294 492 G CA -0.555 44.529 45.100 -0.028 0.000 0.896 492 G HN 0.536 nan 8.290 nan 0.000 0.522 493 P HA 0.155 nan 4.420 nan 0.000 0.272 493 P C 0.758 178.058 177.300 -0.000 0.000 1.223 493 P CA -0.478 62.540 63.100 -0.137 0.000 0.784 493 P CB 1.019 32.524 31.700 -0.325 0.000 0.923 494 K N 0.996 121.429 120.400 0.055 0.000 2.186 494 K HA 0.044 4.661 4.320 0.495 0.000 0.202 494 K C 0.818 177.517 176.600 0.165 0.000 1.052 494 K CA 1.151 57.490 56.287 0.087 0.000 0.965 494 K CB 0.265 32.800 32.500 0.059 0.000 0.746 494 K HN 0.441 nan 8.250 nan 0.000 0.457 498 V N 3.092 122.813 119.914 -0.322 0.000 2.498 498 V HA 0.169 4.586 4.120 0.495 0.000 0.283 498 V C -2.110 173.816 176.094 -0.281 0.000 1.015 498 V CA -0.984 61.066 62.300 -0.416 0.000 0.867 498 V CB 1.769 33.013 31.823 -0.964 0.000 1.025 498 V HN 0.126 nan 8.190 nan 0.000 0.441 499 P HA -0.148 nan 4.420 nan 0.000 0.218 499 P C 1.625 179.019 177.300 0.156 0.000 1.146 499 P CA 1.663 64.826 63.100 0.104 0.000 0.813 499 P CB 0.235 32.032 31.700 0.162 0.000 0.778 500 S N -3.611 112.082 115.700 -0.012 0.000 2.561 500 S HA -0.038 4.729 4.470 0.495 0.000 0.225 500 S C 0.695 175.369 174.600 0.124 0.000 0.977 500 S CA 0.104 58.317 58.200 0.021 0.000 0.926 500 S CB -0.914 62.267 63.200 -0.031 0.000 0.769 500 S HN -0.037 nan 8.310 nan 0.000 0.533 501 Y N 2.603 122.894 120.300 -0.015 0.000 2.326 501 Y HA 0.509 5.356 4.550 0.495 0.000 0.324 501 Y C 1.930 177.828 175.900 -0.003 0.000 1.291 501 Y CA -1.504 56.565 58.100 -0.052 0.000 1.348 501 Y CB 1.080 39.460 38.460 -0.133 0.000 1.294 501 Y HN 0.277 nan 8.280 nan 0.000 0.525 502 S N -0.849 114.931 115.700 0.133 0.000 2.541 502 S HA 0.211 4.978 4.470 0.495 0.000 0.219 502 S C 0.150 174.769 174.600 0.033 0.000 1.025 502 S CA 0.010 58.263 58.200 0.087 0.000 0.917 502 S CB -0.130 63.090 63.200 0.034 0.000 0.859 502 S HN 0.338 nan 8.310 nan 0.000 0.584 503 S N 1.247 116.924 115.700 -0.038 0.000 2.478 503 S HA 0.717 5.484 4.470 0.495 0.000 0.312 503 S C -0.078 174.436 174.600 -0.144 0.000 1.094 503 S CA -0.698 57.457 58.200 -0.075 0.000 1.081 503 S CB 1.462 64.626 63.200 -0.061 0.000 1.007 503 S HN 0.701 nan 8.310 nan 0.000 0.475 504 G N 1.141 109.853 108.800 -0.147 0.000 2.355 504 G HA2 0.410 4.667 3.960 0.495 0.000 0.276 504 G HA3 0.410 4.667 3.960 0.495 0.000 0.276 504 G C 0.807 175.619 174.900 -0.147 0.000 1.198 504 G CA -0.394 44.596 45.100 -0.183 0.000 0.876 504 G HN 0.734 nan 8.290 nan 0.000 0.478 505 T N -0.411 114.046 114.554 -0.162 0.000 2.969 505 T HA 0.460 5.107 4.350 0.495 0.000 0.250 505 T C 0.936 175.582 174.700 -0.089 0.000 1.021 505 T CA 0.449 62.484 62.100 -0.108 0.000 1.003 505 T CB 0.855 69.667 68.868 -0.092 0.000 1.040 505 T HN 0.976 nan 8.240 nan 0.000 0.492 506 G N 0.491 109.216 108.800 -0.124 0.000 2.733 506 G HA2 0.682 4.939 3.960 0.495 0.000 0.297 506 G HA3 0.682 4.939 3.960 0.495 0.000 0.297 506 G C -2.117 172.707 174.900 -0.126 0.000 1.422 506 G CA -0.775 44.270 45.100 -0.092 0.000 0.942 506 G HN 0.425 nan 8.290 nan 0.000 0.510 507 I N 0.644 121.176 120.570 -0.063 0.000 2.752 507 I HA 0.637 5.104 4.170 0.495 0.000 0.295 507 I C -2.110 174.021 176.117 0.022 0.000 1.219 507 I CA -0.705 60.565 61.300 -0.051 0.000 1.030 507 I CB 2.599 40.578 38.000 -0.035 0.000 1.259 507 I HN 0.535 nan 8.210 nan 0.000 0.423 508 D N 4.038 124.457 120.400 0.032 0.000 2.602 508 D HA 0.442 5.379 4.640 0.495 0.000 0.236 508 D C -1.817 174.535 176.300 0.087 0.000 1.209 508 D CA -0.018 54.015 54.000 0.056 0.000 0.831 508 D CB 1.967 42.779 40.800 0.020 0.000 1.478 508 D HN 0.343 nan 8.370 nan 0.000 0.438 509 Y N -0.424 119.896 120.300 0.032 0.000 2.562 509 Y HA 0.839 5.686 4.550 0.495 0.000 0.343 509 Y C -0.629 175.334 175.900 0.105 0.000 1.025 509 Y CA -1.591 56.525 58.100 0.026 0.000 1.082 509 Y CB 1.001 39.468 38.460 0.013 0.000 1.264 509 Y HN 0.329 nan 8.280 nan 0.000 0.478 510 A N 2.141 125.100 122.820 0.231 0.000 2.404 510 A HA 0.267 4.884 4.320 0.495 0.000 0.273 510 A C 1.065 178.757 177.584 0.179 0.000 1.144 510 A CA -0.224 51.915 52.037 0.170 0.000 0.806 510 A CB 0.166 19.335 19.000 0.282 0.000 1.080 510 A HN 0.955 nan 8.150 nan 0.000 0.509 511 E N 2.409 122.618 120.200 0.016 0.000 2.097 511 E HA -0.187 4.460 4.350 0.495 0.000 0.196 511 E C 1.266 177.975 176.600 0.182 0.000 1.000 511 E CA 1.935 58.415 56.400 0.134 0.000 0.804 511 E CB -0.201 29.516 29.700 0.029 0.000 0.740 511 E HN 0.776 nan 8.360 nan 0.000 0.454 512 L N -0.876 120.413 121.223 0.111 0.000 2.529 512 L HA 0.145 4.782 4.340 0.495 0.000 0.223 512 L C 0.078 177.008 176.870 0.100 0.000 1.113 512 L CA -0.094 54.799 54.840 0.088 0.000 0.861 512 L CB 0.704 42.792 42.059 0.049 0.000 1.012 512 L HN -0.113 nan 8.230 nan 0.000 0.461 513 V N 0.790 120.787 119.914 0.138 0.000 2.384 513 V HA 0.194 4.611 4.120 0.495 0.000 0.257 513 V C -1.688 174.535 176.094 0.215 0.000 0.969 513 V CA -0.650 61.742 62.300 0.152 0.000 0.910 513 V CB 0.899 32.800 31.823 0.131 0.000 1.150 513 V HN -0.008 nan 8.190 nan 0.000 0.481 514 P HA -0.070 nan 4.420 nan 0.000 0.233 514 P C 1.171 178.528 177.300 0.096 0.000 1.167 514 P CA 0.862 64.079 63.100 0.195 0.000 0.770 514 P CB 0.166 31.907 31.700 0.069 0.000 0.837 515 N N -0.480 118.277 118.700 0.096 0.000 2.381 515 N HA -0.129 4.908 4.740 0.495 0.000 0.182 515 N C 0.734 176.267 175.510 0.037 0.000 1.025 515 N CA 0.321 53.404 53.050 0.055 0.000 0.888 515 N CB -0.823 37.720 38.487 0.093 0.000 0.965 515 N HN 0.164 nan 8.380 nan 0.000 0.438 519 L N 2.552 123.506 121.223 -0.449 0.000 2.409 519 L HA 0.845 5.482 4.340 0.495 0.000 0.272 519 L C -0.577 175.909 176.870 -0.640 0.000 0.980 519 L CA -0.497 54.004 54.840 -0.565 0.000 0.826 519 L CB 2.084 43.568 42.059 -0.958 0.000 1.268 519 L HN 1.364 nan 8.230 nan 0.000 0.407 520 V N 2.418 121.985 119.914 -0.579 0.000 2.732 520 V HA 1.083 5.501 4.120 0.495 0.000 0.310 520 V C -0.039 175.746 176.094 -0.515 0.000 1.053 520 V CA 0.161 62.051 62.300 -0.684 0.000 0.957 520 V CB 0.901 32.272 31.823 -0.754 0.000 1.018 520 V HN 1.229 nan 8.190 nan 0.000 0.452 521 A N 3.005 125.476 122.820 -0.582 0.000 2.581 521 A HA 0.778 5.395 4.320 0.495 0.000 0.290 521 A C -0.885 176.428 177.584 -0.452 0.000 1.119 521 A CA -1.087 50.599 52.037 -0.584 0.000 0.670 521 A CB 1.626 20.012 19.000 -1.022 0.000 1.280 521 A HN 0.860 nan 8.150 nan 0.000 0.425 522 K N -0.268 119.932 120.400 -0.332 0.000 2.166 522 K HA 0.809 5.426 4.320 0.495 0.000 0.245 522 K C -0.200 176.282 176.600 -0.197 0.000 0.967 522 K CA -0.220 55.940 56.287 -0.212 0.000 0.863 522 K CB 2.190 34.617 32.500 -0.121 0.000 1.107 522 K HN 1.052 nan 8.250 nan 0.000 0.436 529 K N 3.615 124.119 120.400 0.175 0.000 2.322 529 K HA 0.408 5.025 4.320 0.495 0.000 0.283 529 K C 0.594 177.315 176.600 0.203 0.000 1.042 529 K CA 0.225 56.624 56.287 0.187 0.000 0.958 529 K CB 0.662 33.285 32.500 0.204 0.000 0.984 529 K HN 0.565 nan 8.250 nan 0.000 0.473 530 K N 2.122 122.588 120.400 0.110 0.000 2.469 530 K HA 0.210 4.828 4.320 0.495 0.000 0.201 530 K C 0.070 176.345 176.600 -0.543 0.000 1.028 530 K CA 0.002 56.183 56.287 -0.178 0.000 1.170 530 K CB 0.065 32.516 32.500 -0.081 0.000 0.874 530 K HN 0.478 nan 8.250 nan 0.000 0.507 531 I N 0.061 120.311 120.570 -0.533 0.000 2.569 531 I HA 0.209 4.676 4.170 0.495 0.000 0.296 531 I C -1.073 174.733 176.117 -0.517 0.000 1.028 531 I CA -0.436 60.362 61.300 -0.837 0.000 1.082 531 I CB 1.945 39.243 38.000 -1.170 0.000 1.264 531 I HN -0.127 nan 8.210 nan 0.000 0.429 532 S N 5.532 120.844 115.700 -0.647 0.000 2.568 532 S HA 0.694 5.461 4.470 0.495 0.000 0.293 532 S C -1.141 173.023 174.600 -0.726 0.000 1.089 532 S CA -0.397 57.493 58.200 -0.517 0.000 0.945 532 S CB 1.564 64.607 63.200 -0.262 0.000 1.077 532 S HN 0.408 nan 8.310 nan 0.000 0.485 533 F N 0.821 120.577 119.950 -0.323 0.000 2.561 533 F HA 0.726 5.550 4.527 0.496 0.000 0.321 533 F C 0.508 175.941 175.800 -0.612 0.000 1.065 533 F CA -0.672 56.990 58.000 -0.564 0.000 0.934 533 F CB 2.046 40.552 39.000 -0.823 0.000 1.215 533 F HN 0.484 nan 8.300 nan 0.000 0.471 534 S N 0.677 115.998 115.700 -0.632 0.000 2.536 534 S HA 0.471 5.238 4.470 0.495 0.000 0.287 534 S C -0.847 173.514 174.600 -0.398 0.000 1.101 534 S CA -0.351 57.453 58.200 -0.660 0.000 0.950 534 S CB 0.729 63.018 63.200 -1.519 0.000 1.056 534 S HN 0.580 nan 8.310 nan 0.000 0.481 535 Y N 1.474 121.793 120.300 0.032 0.000 2.467 535 Y HA 0.231 5.079 4.550 0.495 0.000 0.250 535 Y C 0.790 176.694 175.900 0.006 0.000 1.155 535 Y CA -0.215 57.960 58.100 0.125 0.000 1.249 535 Y CB 0.619 39.196 38.460 0.195 0.000 1.146 535 Y HN 0.707 nan 8.280 nan 0.000 0.524 536 D N -1.880 118.514 120.400 -0.008 0.000 2.696 536 D HA 0.251 5.188 4.640 0.495 0.000 0.269 536 D C 1.311 177.540 176.300 -0.118 0.000 1.319 536 D CA 0.042 54.021 54.000 -0.035 0.000 0.826 536 D CB 0.036 40.825 40.800 -0.018 0.000 1.086 536 D HN 0.146 nan 8.370 nan 0.000 0.481 537 G N -0.221 108.476 108.800 -0.172 0.000 2.198 537 G HA2 -0.016 4.242 3.960 0.495 0.000 0.260 537 G HA3 -0.016 4.242 3.960 0.495 0.000 0.260 537 G C 1.148 175.919 174.900 -0.215 0.000 1.025 537 G CA 0.358 45.356 45.100 -0.169 0.000 0.769 537 G HN 1.468 nan 8.290 nan 0.000 0.507 538 G N -1.523 106.996 108.800 -0.467 0.000 2.175 538 G HA2 -0.284 3.973 3.960 0.495 0.000 0.244 538 G HA3 -0.284 3.973 3.960 0.495 0.000 0.244 538 G C 1.079 175.860 174.900 -0.199 0.000 0.982 538 G CA 1.021 45.824 45.100 -0.496 0.000 0.641 538 G HN 0.907 nan 8.290 nan 0.000 0.527 539 R N -0.001 120.391 120.500 -0.181 0.000 2.075 539 R HA 0.064 4.701 4.340 0.495 0.000 0.232 539 R C 0.683 176.964 176.300 -0.033 0.000 1.126 539 R CA 1.479 57.554 56.100 -0.041 0.000 0.963 539 R CB -0.043 30.238 30.300 -0.032 0.000 0.858 539 R HN 0.434 nan 8.270 nan 0.000 0.435 540 N N -1.092 117.504 118.700 -0.173 0.000 2.249 540 N HA 0.154 5.191 4.740 0.495 0.000 0.296 540 N C -1.580 173.802 175.510 -0.213 0.000 1.051 540 N CA -0.381 52.635 53.050 -0.057 0.000 0.815 540 N CB 1.826 40.331 38.487 0.031 0.000 1.487 540 N HN -0.039 nan 8.380 nan 0.000 0.475 541 W N 1.705 123.052 121.300 0.078 0.000 2.864 541 W HA 0.572 5.530 4.660 0.496 0.000 0.343 541 W C -0.335 176.281 176.519 0.163 0.000 1.109 541 W CA -0.755 56.607 57.345 0.029 0.000 1.192 541 W CB 1.126 30.517 29.460 -0.115 0.000 1.426 541 W HN 0.378 nan 8.180 nan 0.000 0.529 542 F N -0.139 120.002 119.950 0.319 0.000 2.613 542 F HA 0.783 5.608 4.527 0.495 0.000 0.314 542 F C -0.831 175.132 175.800 0.271 0.000 1.075 542 F CA -1.591 56.558 58.000 0.248 0.000 0.945 542 F CB 1.288 40.427 39.000 0.232 0.000 1.310 542 F HN 0.211 nan 8.300 nan 0.000 0.467 543 Q N 2.849 122.859 119.800 0.350 0.000 2.274 543 Q HA 0.556 5.193 4.340 0.495 0.000 0.260 543 Q C -2.506 173.756 176.000 0.437 0.000 0.974 543 Q CA -1.856 54.105 55.803 0.264 0.000 0.876 543 Q CB 1.594 30.442 28.738 0.182 0.000 1.297 543 Q HN 0.487 nan 8.270 nan 0.000 0.446 544 P HA 0.192 nan 4.420 nan 0.000 0.277 544 P C -2.153 175.355 177.300 0.347 0.000 1.271 544 P CA -1.334 62.048 63.100 0.470 0.000 0.795 544 P CB 0.537 32.592 31.700 0.590 0.000 1.101 545 P HA 0.012 nan 4.420 nan 0.000 0.231 545 P C -0.128 177.319 177.300 0.246 0.000 1.168 545 P CA 1.105 64.341 63.100 0.227 0.000 0.779 545 P CB 0.412 32.218 31.700 0.177 0.000 0.844 546 N N 0.109 119.019 118.700 0.351 0.000 2.229 546 N HA 0.256 5.294 4.740 0.495 0.000 0.298 546 N C -0.505 175.310 175.510 0.509 0.000 1.114 546 N CA -0.486 52.794 53.050 0.384 0.000 0.776 546 N CB 2.314 41.053 38.487 0.421 0.000 1.501 546 N HN -0.003 nan 8.380 nan 0.000 0.474 547 E N 0.361 120.675 120.200 0.191 0.000 2.227 547 E HA 0.624 5.271 4.350 0.495 0.000 0.268 547 E C -0.320 175.756 176.600 -0.873 0.000 0.990 547 E CA -0.992 55.355 56.400 -0.088 0.000 0.856 547 E CB 1.540 31.212 29.700 -0.046 0.000 1.159 547 E HN 0.611 nan 8.360 nan 0.000 0.401 548 A N 2.642 124.465 122.820 -1.661 0.000 2.483 548 A HA 0.209 4.826 4.320 0.495 0.000 0.238 548 A C -2.191 174.859 177.584 -0.890 0.000 1.070 548 A CA -1.008 50.188 52.037 -1.403 0.000 0.770 548 A CB -0.492 17.631 19.000 -1.462 0.000 1.008 548 A HN 0.303 nan 8.150 nan 0.000 0.497 549 P HA 0.111 nan 4.420 nan 0.000 0.261 549 P C -0.649 176.356 177.300 -0.492 0.000 1.183 549 P CA 0.675 63.538 63.100 -0.397 0.000 0.761 549 P CB 0.136 31.680 31.700 -0.261 0.000 0.785 550 N N -0.571 117.883 118.700 -0.410 0.000 2.961 550 N HA 0.358 5.395 4.740 0.495 0.000 0.245 550 N C 0.076 175.437 175.510 -0.249 0.000 1.404 550 N CA -0.717 52.095 53.050 -0.396 0.000 0.880 550 N CB 0.557 38.708 38.487 -0.561 0.000 1.461 550 N HN 0.079 nan 8.380 nan 0.000 0.510 551 S N -0.798 114.780 115.700 -0.203 0.000 2.506 551 S HA 0.071 4.838 4.470 0.495 0.000 0.230 551 S C 1.136 175.665 174.600 -0.119 0.000 1.066 551 S CA 0.821 58.937 58.200 -0.140 0.000 0.940 551 S CB -0.395 62.735 63.200 -0.117 0.000 0.818 551 S HN 1.118 nan 8.310 nan 0.000 0.518 552 V N -1.653 118.187 119.914 -0.123 0.000 3.166 552 V HA 0.716 5.133 4.120 0.495 0.000 0.332 552 V C 1.036 177.081 176.094 -0.081 0.000 1.434 552 V CA -0.231 62.014 62.300 -0.093 0.000 1.121 552 V CB -0.687 31.088 31.823 -0.081 0.000 1.062 552 V HN 0.814 nan 8.190 nan 0.000 0.489 553 G N 1.180 109.925 108.800 -0.091 0.000 2.574 553 G HA2 0.176 4.433 3.960 0.495 0.000 0.286 553 G HA3 0.176 4.433 3.960 0.495 0.000 0.286 553 G C 1.171 176.105 174.900 0.057 0.000 1.212 553 G CA 0.684 45.806 45.100 0.036 0.000 0.979 553 G HN 2.424 nan 8.290 nan 0.000 0.557 554 G N -1.416 107.440 108.800 0.093 0.000 2.552 554 G HA2 0.404 4.661 3.960 0.495 0.000 0.265 554 G HA3 0.404 4.661 3.960 0.495 0.000 0.265 554 G C 1.441 176.430 174.900 0.149 0.000 1.234 554 G CA 1.694 46.813 45.100 0.031 0.000 0.944 554 G HN 3.287 nan 8.290 nan 0.000 0.568 555 G N -1.742 107.088 108.800 0.050 0.000 2.528 555 G HA2 0.328 4.585 3.960 0.495 0.000 0.262 555 G HA3 0.328 4.585 3.960 0.495 0.000 0.262 555 G C 0.580 175.525 174.900 0.074 0.000 1.200 555 G CA 2.030 47.167 45.100 0.062 0.000 0.951 555 G HN 2.924 nan 8.290 nan 0.000 0.566 556 S N -2.108 113.666 115.700 0.124 0.000 2.667 556 S HA 0.833 5.601 4.470 0.495 0.000 0.292 556 S C -0.845 173.839 174.600 0.139 0.000 1.126 556 S CA 0.076 58.328 58.200 0.088 0.000 0.881 556 S CB 2.207 65.450 63.200 0.072 0.000 1.132 556 S HN 2.221 nan 8.310 nan 0.000 0.492 557 V N -0.272 119.690 119.914 0.081 0.000 2.888 557 V HA 0.855 5.273 4.120 0.495 0.000 0.309 557 V C -1.298 174.883 176.094 0.145 0.000 1.114 557 V CA -0.264 62.094 62.300 0.097 0.000 0.940 557 V CB 1.790 33.575 31.823 -0.063 0.000 1.021 557 V HN 1.609 nan 8.190 nan 0.000 0.426 558 A N 5.268 128.230 122.820 0.237 0.000 2.359 558 A HA 0.859 5.477 4.320 0.495 0.000 0.303 558 A C -1.388 176.446 177.584 0.417 0.000 1.066 558 A CA -0.498 51.727 52.037 0.314 0.000 0.730 558 A CB 1.890 21.152 19.000 0.437 0.000 1.211 558 A HN 0.997 nan 8.150 nan 0.000 0.439 559 V N 2.231 122.318 119.914 0.288 0.000 2.417 559 V HA 0.617 5.035 4.120 0.495 0.000 0.291 559 V C 0.903 177.116 176.094 0.199 0.000 1.024 559 V CA -0.384 62.104 62.300 0.313 0.000 0.861 559 V CB 1.376 33.342 31.823 0.238 0.000 0.985 559 V HN 1.295 nan 8.190 nan 0.000 0.436 560 A N 3.808 126.819 122.820 0.318 0.000 2.561 560 A HA 0.442 5.059 4.320 0.495 0.000 0.234 560 A C 1.688 179.266 177.584 -0.010 0.000 1.055 560 A CA 0.570 52.643 52.037 0.060 0.000 0.756 560 A CB 0.165 19.303 19.000 0.231 0.000 0.986 560 A HN 1.499 nan 8.150 nan 0.000 0.505 561 A N 1.715 124.473 122.820 -0.104 0.000 1.986 561 A HA -0.170 4.447 4.320 0.495 0.000 0.220 561 A C 1.314 178.901 177.584 0.005 0.000 1.171 561 A CA 2.113 54.120 52.037 -0.051 0.000 0.640 561 A CB -0.496 18.466 19.000 -0.062 0.000 0.811 561 A HN 0.945 nan 8.150 nan 0.000 0.451 562 D N -2.636 117.765 120.400 0.001 0.000 2.368 562 D HA 0.441 5.378 4.640 0.495 0.000 0.218 562 D C 0.686 176.966 176.300 -0.034 0.000 1.112 562 D CA 0.553 54.552 54.000 -0.002 0.000 0.834 562 D CB -0.326 40.468 40.800 -0.009 0.000 0.953 562 D HN 0.964 nan 8.370 nan 0.000 0.505 563 A N 0.187 122.992 122.820 -0.026 0.000 2.945 563 A HA -0.321 4.296 4.320 0.495 0.000 0.263 563 A C 1.452 178.847 177.584 -0.314 0.000 1.293 563 A CA 1.548 53.452 52.037 -0.221 0.000 0.944 563 A CB -2.356 16.372 19.000 -0.454 0.000 1.093 563 A HN 0.381 nan 8.150 nan 0.000 0.786 564 K N -0.378 119.958 120.400 -0.107 0.000 2.361 564 K HA 0.154 4.771 4.320 0.495 0.000 0.194 564 K C 0.596 177.171 176.600 -0.041 0.000 1.032 564 K CA 0.978 57.209 56.287 -0.094 0.000 1.048 564 K CB 0.244 32.711 32.500 -0.055 0.000 0.842 564 K HN 1.048 nan 8.250 nan 0.000 0.526 565 S N -0.684 115.053 115.700 0.061 0.000 2.579 565 S HA 0.570 5.337 4.470 0.495 0.000 0.272 565 S C -0.794 173.937 174.600 0.218 0.000 1.141 565 S CA -0.906 57.340 58.200 0.076 0.000 0.843 565 S CB 2.399 65.620 63.200 0.035 0.000 1.122 565 S HN -0.172 nan 8.310 nan 0.000 0.468 566 V N 1.757 121.766 119.914 0.158 0.000 2.623 566 V HA 0.479 4.897 4.120 0.495 0.000 0.304 566 V C -0.968 175.272 176.094 0.243 0.000 1.054 566 V CA -0.587 61.891 62.300 0.297 0.000 0.882 566 V CB 1.624 33.715 31.823 0.447 0.000 1.002 566 V HN 0.923 nan 8.190 nan 0.000 0.424 567 I N 4.250 124.959 120.570 0.232 0.000 2.312 567 I HA 0.322 4.789 4.170 0.495 0.000 0.290 567 I C -0.952 175.391 176.117 0.377 0.000 1.008 567 I CA -0.255 61.184 61.300 0.232 0.000 1.226 567 I CB 1.167 39.182 38.000 0.024 0.000 1.371 567 I HN 0.631 nan 8.210 nan 0.000 0.468 568 W N 7.093 128.527 121.300 0.223 0.000 2.349 568 W HA 0.406 5.363 4.660 0.495 0.000 0.309 568 W C -0.646 175.840 176.519 -0.055 0.000 1.083 568 W CA -1.042 56.336 57.345 0.055 0.000 1.224 568 W CB 1.442 30.865 29.460 -0.062 0.000 1.256 568 W HN 0.310 nan 8.180 nan 0.000 0.461 569 T N 8.834 123.528 114.554 0.232 0.000 3.149 569 T HA 0.272 4.919 4.350 0.495 0.000 0.373 569 T C -2.397 172.248 174.700 -0.092 0.000 1.364 569 T CA -1.214 60.861 62.100 -0.042 0.000 1.110 569 T CB 0.797 69.649 68.868 -0.028 0.000 1.127 569 T HN 0.078 nan 8.240 nan 0.000 0.576 570 P HA 0.108 nan 4.420 nan 0.000 0.271 570 P C 0.171 177.349 177.300 -0.203 0.000 1.233 570 P CA -0.558 62.303 63.100 -0.399 0.000 0.789 570 P CB 0.582 31.794 31.700 -0.813 0.000 0.951 571 E N 2.080 122.204 120.200 -0.126 0.000 2.480 571 E HA -0.089 4.558 4.350 0.495 0.000 0.258 571 E C -0.061 176.461 176.600 -0.130 0.000 0.984 571 E CA 0.097 56.436 56.400 -0.102 0.000 0.930 571 E CB -0.463 29.189 29.700 -0.080 0.000 0.936 571 E HN 0.352 nan 8.360 nan 0.000 0.466 572 N N 1.088 119.724 118.700 -0.108 0.000 2.735 572 N HA -0.235 4.802 4.740 0.495 0.000 0.248 572 N C -1.148 174.281 175.510 -0.136 0.000 1.083 572 N CA 1.180 54.168 53.050 -0.104 0.000 0.703 572 N CB -1.322 37.111 38.487 -0.091 0.000 1.005 572 N HN 0.491 nan 8.380 nan 0.000 0.550 573 A N -1.157 121.560 122.820 -0.171 0.000 2.593 573 A HA 0.779 5.396 4.320 0.495 0.000 0.290 573 A C -0.138 177.310 177.584 -0.227 0.000 1.126 573 A CA -0.415 51.493 52.037 -0.216 0.000 0.695 573 A CB 1.238 20.057 19.000 -0.302 0.000 1.290 573 A HN 0.036 nan 8.150 nan 0.000 0.414 574 S N 1.384 116.937 115.700 -0.244 0.000 2.601 574 S HA 0.537 5.305 4.470 0.495 0.000 0.271 574 S C -2.536 171.903 174.600 -0.269 0.000 1.305 574 S CA -0.733 57.306 58.200 -0.269 0.000 1.022 574 S CB 0.501 63.548 63.200 -0.256 0.000 0.940 574 S HN 0.507 nan 8.310 nan 0.000 0.525 575 P HA 0.249 nan 4.420 nan 0.000 0.264 575 P C -1.346 175.880 177.300 -0.124 0.000 1.193 575 P CA 0.103 63.087 63.100 -0.194 0.000 0.763 575 P CB 0.320 31.858 31.700 -0.270 0.000 0.810 576 A N 3.159 125.970 122.820 -0.015 0.000 2.393 576 A HA 0.600 5.217 4.320 0.495 0.000 0.306 576 A C -1.034 176.789 177.584 0.398 0.000 1.050 576 A CA -0.751 51.367 52.037 0.134 0.000 0.724 576 A CB 1.566 20.606 19.000 0.067 0.000 1.248 576 A HN 0.414 nan 8.150 nan 0.000 0.424 577 V N 1.277 121.379 119.914 0.313 0.000 2.630 577 V HA 0.833 5.251 4.120 0.495 0.000 0.305 577 V C -0.019 176.091 176.094 0.027 0.000 1.046 577 V CA 0.097 62.505 62.300 0.180 0.000 0.934 577 V CB 1.977 33.788 31.823 -0.019 0.000 1.003 577 V HN 1.091 nan 8.190 nan 0.000 0.451 578 T N 2.583 116.983 114.554 -0.257 0.000 2.861 578 T HA 0.491 5.138 4.350 0.495 0.000 0.287 578 T C 0.425 174.946 174.700 -0.298 0.000 1.003 578 T CA 0.219 61.981 62.100 -0.562 0.000 0.977 578 T CB 1.348 69.424 68.868 -1.320 0.000 0.996 578 T HN 0.980 nan 8.240 nan 0.000 0.448 579 T N 0.110 114.513 114.554 -0.252 0.000 3.084 579 T HA 0.292 4.939 4.350 0.495 0.000 0.270 579 T C 0.381 174.972 174.700 -0.183 0.000 1.008 579 T CA -0.214 61.784 62.100 -0.170 0.000 0.900 579 T CB 0.157 68.955 68.868 -0.116 0.000 1.084 579 T HN 0.414 nan 8.240 nan 0.000 0.538 580 D N 1.538 121.789 120.400 -0.249 0.000 2.398 580 D HA 0.216 5.153 4.640 0.495 0.000 0.210 580 D C 0.222 176.395 176.300 -0.213 0.000 1.094 580 D CA -0.180 53.696 54.000 -0.206 0.000 0.839 580 D CB -0.097 40.571 40.800 -0.219 0.000 0.963 580 D HN 0.080 nan 8.370 nan 0.000 0.506 581 N N 0.420 118.925 118.700 -0.325 0.000 2.714 581 N HA -0.194 4.843 4.740 0.495 0.000 0.252 581 N C 0.997 176.315 175.510 -0.320 0.000 1.014 581 N CA 1.280 53.992 53.050 -0.563 0.000 0.735 581 N CB -1.226 37.054 38.487 -0.344 0.000 0.924 581 N HN 0.406 nan 8.380 nan 0.000 0.540 582 G N -1.398 107.217 108.800 -0.308 0.000 2.159 582 G HA2 -0.398 3.859 3.960 0.495 0.000 0.256 582 G HA3 -0.398 3.859 3.960 0.495 0.000 0.256 582 G C 0.921 175.871 174.900 0.083 0.000 0.977 582 G CA 0.664 45.740 45.100 -0.040 0.000 0.652 582 G HN 0.580 nan 8.290 nan 0.000 0.531 583 N N 0.145 118.820 118.700 -0.042 0.000 2.142 583 N HA 0.127 5.165 4.740 0.495 0.000 0.186 583 N C 1.330 176.853 175.510 0.021 0.000 1.023 583 N CA 1.535 54.605 53.050 0.033 0.000 0.852 583 N CB 0.055 38.545 38.487 0.005 0.000 0.998 583 N HN 0.759 nan 8.380 nan 0.000 0.424 584 S N -1.654 113.961 115.700 -0.141 0.000 2.570 584 S HA 0.598 5.366 4.470 0.495 0.000 0.286 584 S C -1.619 172.817 174.600 -0.273 0.000 1.099 584 S CA -0.962 57.196 58.200 -0.070 0.000 0.913 584 S CB 1.283 64.458 63.200 -0.042 0.000 1.085 584 S HN 0.207 nan 8.310 nan 0.000 0.480 585 W N 0.533 121.865 121.300 0.053 0.000 2.915 585 W HA 0.693 5.651 4.660 0.496 0.000 0.337 585 W C -0.403 176.123 176.519 0.010 0.000 1.102 585 W CA -0.503 56.870 57.345 0.047 0.000 1.224 585 W CB 2.223 31.716 29.460 0.054 0.000 1.416 585 W HN 0.712 nan 8.180 nan 0.000 0.503 586 K N 1.799 122.341 120.400 0.236 0.000 2.463 586 K HA 0.566 5.183 4.320 0.495 0.000 0.255 586 K C -1.210 175.454 176.600 0.108 0.000 0.942 586 K CA -0.631 55.729 56.287 0.121 0.000 0.814 586 K CB 1.406 33.938 32.500 0.054 0.000 1.122 586 K HN 0.294 nan 8.250 nan 0.000 0.425 587 V N 4.672 124.616 119.914 0.051 0.000 2.540 587 V HA -0.030 4.387 4.120 0.495 0.000 0.297 587 V C 0.120 176.208 176.094 -0.011 0.000 1.024 587 V CA -0.526 61.769 62.300 -0.008 0.000 1.105 587 V CB -0.033 31.759 31.823 -0.053 0.000 0.938 587 V HN 0.822 nan 8.190 nan 0.000 0.482 588 C N 5.248 124.532 119.300 -0.026 0.000 2.633 588 C HA 0.277 5.034 4.460 0.495 0.000 0.415 588 C C 1.404 176.377 174.990 -0.029 0.000 1.393 588 C CA -0.476 58.554 59.018 0.019 0.000 1.700 588 C CB -0.866 26.887 27.740 0.021 0.000 2.541 588 C HN 1.029 nan 8.230 nan 0.000 0.603 589 T N 0.901 115.480 114.554 0.041 0.000 2.930 589 T HA 0.181 4.828 4.350 0.495 0.000 0.306 589 T C 0.538 175.226 174.700 -0.019 0.000 1.045 589 T CA 0.106 62.213 62.100 0.012 0.000 1.134 589 T CB -0.074 68.821 68.868 0.045 0.000 0.961 589 T HN 0.907 nan 8.240 nan 0.000 0.545 590 N N -0.030 118.626 118.700 -0.073 0.000 2.909 590 N HA -0.142 4.895 4.740 0.495 0.000 0.242 590 N C -0.302 174.954 175.510 -0.423 0.000 0.975 590 N CA 0.762 53.744 53.050 -0.113 0.000 0.921 590 N CB -1.338 37.181 38.487 0.052 0.000 1.112 590 N HN 0.600 nan 8.380 nan 0.000 0.581 591 L N -0.792 120.099 121.223 -0.553 0.000 2.341 591 L HA 0.900 5.537 4.340 0.495 0.000 0.267 591 L C 0.998 177.276 176.870 -0.988 0.000 1.022 591 L CA -0.665 53.569 54.840 -1.009 0.000 0.844 591 L CB 1.633 43.119 42.059 -0.954 0.000 1.436 591 L HN 0.097 nan 8.230 nan 0.000 0.483 595 A N 0.658 123.515 122.820 0.062 0.000 2.511 595 A HA 0.558 5.175 4.320 0.495 0.000 0.242 595 A C 0.127 177.724 177.584 0.022 0.000 1.069 595 A CA 0.278 52.335 52.037 0.033 0.000 0.763 595 A CB 0.697 19.513 19.000 -0.306 0.000 1.001 595 A HN 0.745 nan 8.150 nan 0.000 0.498 596 V N 4.495 124.466 119.914 0.096 0.000 2.311 596 V HA 0.325 4.743 4.120 0.495 0.000 0.275 596 V C -0.156 176.005 176.094 0.112 0.000 1.022 596 V CA -0.315 62.049 62.300 0.107 0.000 0.830 596 V CB 0.926 32.830 31.823 0.135 0.000 1.012 596 V HN 0.617 nan 8.190 nan 0.000 0.452 597 V N 4.230 124.205 119.914 0.101 0.000 2.513 597 V HA 0.924 5.341 4.120 0.495 0.000 0.299 597 V C 0.282 176.527 176.094 0.252 0.000 1.035 597 V CA -0.312 62.074 62.300 0.143 0.000 0.889 597 V CB 1.738 33.605 31.823 0.073 0.000 0.988 597 V HN 0.952 nan 8.190 nan 0.000 0.440 598 A N 3.101 126.135 122.820 0.356 0.000 2.498 598 A HA 0.885 5.502 4.320 0.495 0.000 0.298 598 A C -0.236 177.569 177.584 0.368 0.000 1.075 598 A CA -0.477 51.778 52.037 0.364 0.000 0.714 598 A CB 1.980 21.209 19.000 0.382 0.000 1.299 598 A HN 0.986 nan 8.150 nan 0.000 0.407 599 S N 0.490 116.277 115.700 0.144 0.000 2.616 599 S HA 0.529 5.296 4.470 0.495 0.000 0.277 599 S C -0.291 174.250 174.600 -0.097 0.000 1.234 599 S CA -0.431 57.564 58.200 -0.341 0.000 1.028 599 S CB 1.136 63.980 63.200 -0.595 0.000 0.988 599 S HN 0.737 nan 8.310 nan 0.000 0.522 600 D N -0.199 120.065 120.400 -0.227 0.000 2.399 600 D HA 0.175 5.112 4.640 0.495 0.000 0.241 600 D C 1.047 177.317 176.300 -0.050 0.000 1.133 600 D CA -0.345 53.687 54.000 0.053 0.000 0.890 600 D CB 0.660 41.466 40.800 0.010 0.000 1.201 600 D HN 0.416 nan 8.370 nan 0.000 0.432 601 R N 2.482 122.998 120.500 0.027 0.000 2.312 601 R HA 0.096 4.733 4.340 0.495 0.000 0.205 601 R C 0.752 177.046 176.300 -0.010 0.000 0.904 601 R CA 0.186 56.278 56.100 -0.013 0.000 1.052 601 R CB 0.289 30.595 30.300 0.009 0.000 1.014 601 R HN 0.345 nan 8.270 nan 0.000 0.503 602 V N 0.071 119.984 119.914 -0.001 0.000 2.911 602 V HA 0.098 4.515 4.120 0.495 0.000 0.237 602 V C 0.559 176.648 176.094 -0.008 0.000 1.156 602 V CA 0.236 62.536 62.300 0.000 0.000 1.180 602 V CB 0.037 31.866 31.823 0.010 0.000 0.932 602 V HN 0.119 nan 8.190 nan 0.000 0.483 603 N N 1.250 119.941 118.700 -0.014 0.000 2.469 603 N HA 0.268 5.305 4.740 0.495 0.000 0.253 603 N C 0.956 176.420 175.510 -0.076 0.000 0.970 603 N CA 0.472 53.507 53.050 -0.025 0.000 0.940 603 N CB 1.760 40.248 38.487 0.001 0.000 1.128 603 N HN 0.237 nan 8.380 nan 0.000 0.503 604 G N 2.687 111.454 108.800 -0.055 0.000 2.559 604 G HA2 -0.171 4.086 3.960 0.495 0.000 0.216 604 G HA3 -0.171 4.086 3.960 0.495 0.000 0.216 604 G C 1.313 176.211 174.900 -0.003 0.000 1.126 604 G CA 0.517 45.584 45.100 -0.056 0.000 0.778 604 G HN 0.451 nan 8.290 nan 0.000 0.543 605 K N 0.224 120.622 120.400 -0.003 0.000 2.365 605 K HA 0.103 4.721 4.320 0.495 0.000 0.197 605 K C 0.688 177.306 176.600 0.031 0.000 1.042 605 K CA 0.370 56.678 56.287 0.034 0.000 0.987 605 K CB 0.233 32.739 32.500 0.009 0.000 0.779 605 K HN 0.256 nan 8.250 nan 0.000 0.484 606 K N 0.352 120.696 120.400 -0.094 0.000 2.213 606 K HA 0.354 4.972 4.320 0.495 0.000 0.270 606 K C -0.738 175.579 176.600 -0.472 0.000 1.002 606 K CA -0.337 55.817 56.287 -0.223 0.000 0.868 606 K CB 0.986 33.357 32.500 -0.216 0.000 1.093 606 K HN -0.218 nan 8.250 nan 0.000 0.454 607 F N 1.373 121.037 119.950 -0.478 0.000 2.620 607 F HA 0.465 5.289 4.527 0.495 0.000 0.320 607 F C -0.670 174.895 175.800 -0.391 0.000 1.069 607 F CA -0.868 56.934 58.000 -0.331 0.000 0.953 607 F CB 1.450 40.459 39.000 0.014 0.000 1.322 607 F HN 0.348 nan 8.300 nan 0.000 0.479 608 Y N 0.537 121.154 120.300 0.528 0.000 2.545 608 Y HA 0.806 5.653 4.550 0.495 0.000 0.348 608 Y C -0.415 175.589 175.900 0.173 0.000 1.002 608 Y CA -1.495 56.807 58.100 0.336 0.000 1.039 608 Y CB 2.024 40.700 38.460 0.359 0.000 1.271 608 Y HN 0.654 nan 8.280 nan 0.000 0.467 609 A N 1.829 124.617 122.820 -0.055 0.000 2.520 609 A HA 0.690 5.307 4.320 0.495 0.000 0.298 609 A C -2.294 175.150 177.584 -0.233 0.000 1.051 609 A CA -0.605 51.338 52.037 -0.158 0.000 0.690 609 A CB 0.971 19.716 19.000 -0.424 0.000 1.281 609 A HN 0.672 nan 8.150 nan 0.000 0.402 610 F N 2.669 122.561 119.950 -0.097 0.000 2.388 610 F HA 0.673 5.497 4.527 0.495 0.000 0.358 610 F C -1.125 174.754 175.800 0.131 0.000 1.122 610 F CA -0.288 57.742 58.000 0.050 0.000 1.056 610 F CB 1.051 40.113 39.000 0.104 0.000 1.155 610 F HN 0.640 nan 8.300 nan 0.000 0.461 611 Y N 6.074 126.303 120.300 -0.118 0.000 2.433 611 Y HA 0.298 5.145 4.550 0.495 0.000 0.337 611 Y C -0.234 175.620 175.900 -0.076 0.000 1.026 611 Y CA -1.658 56.405 58.100 -0.061 0.000 1.037 611 Y CB 0.880 39.204 38.460 -0.227 0.000 1.245 611 Y HN 0.667 nan 8.280 nan 0.000 0.443 612 N N 4.187 122.545 118.700 -0.569 0.000 2.699 612 N HA -0.190 4.847 4.740 0.495 0.000 0.256 612 N C 0.956 176.281 175.510 -0.309 0.000 0.993 612 N CA 1.990 54.739 53.050 -0.501 0.000 0.759 612 N CB -1.081 36.933 38.487 -0.788 0.000 0.906 612 N HN 1.499 nan 8.380 nan 0.000 0.541 613 G N -1.806 106.852 108.800 -0.238 0.000 2.184 613 G HA2 -0.369 3.888 3.960 0.495 0.000 0.264 613 G HA3 -0.369 3.888 3.960 0.495 0.000 0.264 613 G C 0.076 174.640 174.900 -0.560 0.000 0.975 613 G CA 0.989 45.937 45.100 -0.254 0.000 0.642 613 G HN 0.582 nan 8.290 nan 0.000 0.536 614 K N -0.984 118.991 120.400 -0.708 0.000 2.328 614 K HA 0.698 5.315 4.320 0.495 0.000 0.246 614 K C -1.115 175.127 176.600 -0.596 0.000 0.955 614 K CA -1.007 54.948 56.287 -0.553 0.000 0.817 614 K CB 1.829 34.106 32.500 -0.371 0.000 1.208 614 K HN 0.029 nan 8.250 nan 0.000 0.432 615 F N 1.806 121.423 119.950 -0.555 0.000 2.422 615 F HA 0.437 5.261 4.527 0.495 0.000 0.333 615 F C -1.016 174.601 175.800 -0.305 0.000 1.095 615 F CA -0.128 57.722 58.000 -0.250 0.000 1.038 615 F CB 0.748 39.726 39.000 -0.036 0.000 1.156 615 F HN 0.383 nan 8.300 nan 0.000 0.483 616 Y N 5.584 125.669 120.300 -0.358 0.000 2.512 616 Y HA 0.585 5.432 4.550 0.495 0.000 0.348 616 Y C -0.704 175.259 175.900 0.105 0.000 0.990 616 Y CA -1.003 57.077 58.100 -0.034 0.000 1.033 616 Y CB 1.987 40.466 38.460 0.032 0.000 1.259 616 Y HN 0.459 nan 8.280 nan 0.000 0.461 617 I N 1.420 122.205 120.570 0.359 0.000 2.569 617 I HA 0.558 5.025 4.170 0.495 0.000 0.296 617 I C -0.957 175.163 176.117 0.006 0.000 1.028 617 I CA -0.363 61.098 61.300 0.269 0.000 1.082 617 I CB 1.579 39.730 38.000 0.252 0.000 1.264 617 I HN 0.573 nan 8.210 nan 0.000 0.429 618 S N 3.040 118.527 115.700 -0.356 0.000 2.473 618 S HA 0.483 5.250 4.470 0.495 0.000 0.307 618 S C 0.350 174.799 174.600 -0.252 0.000 1.094 618 S CA -0.243 57.591 58.200 -0.610 0.000 1.070 618 S CB 1.107 63.500 63.200 -1.344 0.000 1.019 618 S HN 0.741 nan 8.310 nan 0.000 0.480 619 T N -0.092 114.375 114.554 -0.146 0.000 3.084 619 T HA 0.212 4.859 4.350 0.495 0.000 0.270 619 T C 0.021 174.693 174.700 -0.046 0.000 1.008 619 T CA -0.172 61.895 62.100 -0.055 0.000 0.900 619 T CB -0.169 68.703 68.868 0.006 0.000 1.084 619 T HN 0.600 nan 8.240 nan 0.000 0.538 620 D N 0.768 121.118 120.400 -0.083 0.000 2.593 620 D HA 0.351 5.288 4.640 0.495 0.000 0.241 620 D C 1.378 177.648 176.300 -0.050 0.000 1.257 620 D CA -0.300 53.665 54.000 -0.058 0.000 0.828 620 D CB -0.341 40.421 40.800 -0.063 0.000 1.049 620 D HN 0.395 nan 8.370 nan 0.000 0.490 621 G N -0.415 108.391 108.800 0.010 0.000 2.147 621 G HA2 -0.028 4.229 3.960 0.495 0.000 0.244 621 G HA3 -0.028 4.229 3.960 0.495 0.000 0.244 621 G C 1.111 175.921 174.900 -0.151 0.000 1.005 621 G CA 0.281 45.447 45.100 0.109 0.000 0.713 621 G HN 1.440 nan 8.290 nan 0.000 0.515 622 G N -1.648 106.959 108.800 -0.322 0.000 2.179 622 G HA2 -0.205 4.052 3.960 0.495 0.000 0.220 622 G HA3 -0.205 4.052 3.960 0.495 0.000 0.220 622 G C 1.224 175.989 174.900 -0.225 0.000 0.990 622 G CA 0.668 45.455 45.100 -0.522 0.000 0.646 622 G HN 1.155 nan 8.290 nan 0.000 0.517 623 L N 0.928 122.045 121.223 -0.177 0.000 2.072 623 L HA 0.216 4.853 4.340 0.495 0.000 0.205 623 L C 1.773 178.625 176.870 -0.030 0.000 1.079 623 L CA 1.930 56.726 54.840 -0.074 0.000 0.752 623 L CB -0.195 41.827 42.059 -0.063 0.000 0.906 623 L HN 0.600 nan 8.230 nan 0.000 0.436 624 T N -3.168 111.323 114.554 -0.104 0.000 2.886 624 T HA 0.551 5.198 4.350 0.495 0.000 0.292 624 T C -0.842 173.773 174.700 -0.141 0.000 1.012 624 T CA -0.565 61.519 62.100 -0.026 0.000 0.982 624 T CB 1.719 70.580 68.868 -0.010 0.000 1.018 624 T HN -0.164 nan 8.240 nan 0.000 0.451 625 F N 0.855 120.807 119.950 0.004 0.000 2.522 625 F HA 0.692 5.516 4.527 0.495 0.000 0.324 625 F C 0.570 176.473 175.800 0.172 0.000 1.077 625 F CA -0.635 57.404 58.000 0.066 0.000 0.944 625 F CB 2.885 41.877 39.000 -0.014 0.000 1.175 625 F HN 0.626 nan 8.300 nan 0.000 0.468 626 T N 1.155 115.947 114.554 0.398 0.000 2.881 626 T HA 0.128 4.775 4.350 0.495 0.000 0.290 626 T C -1.227 173.594 174.700 0.202 0.000 1.000 626 T CA -0.739 61.541 62.100 0.300 0.000 0.978 626 T CB 1.428 70.401 68.868 0.176 0.000 0.997 626 T HN 0.416 nan 8.240 nan 0.000 0.443 627 D N 2.412 122.815 120.400 0.006 0.000 2.472 627 D HA -0.023 4.914 4.640 0.495 0.000 0.248 627 D C 1.525 177.723 176.300 -0.169 0.000 1.174 627 D CA 0.370 54.122 54.000 -0.414 0.000 0.883 627 D CB 1.048 41.653 40.800 -0.324 0.000 1.149 627 D HN 0.665 nan 8.370 nan 0.000 0.488 628 T N 0.753 115.179 114.554 -0.212 0.000 3.118 628 T HA -0.062 4.585 4.350 0.495 0.000 0.260 628 T C 0.850 175.541 174.700 -0.015 0.000 1.139 628 T CA 0.061 62.020 62.100 -0.235 0.000 1.085 628 T CB -0.273 68.287 68.868 -0.514 0.000 0.934 628 T HN 0.649 nan 8.240 nan 0.000 0.518 629 K N 0.809 121.178 120.400 -0.051 0.000 3.148 629 K HA -0.120 4.497 4.320 0.495 0.000 0.267 629 K C 0.173 176.797 176.600 0.039 0.000 0.996 629 K CA 0.030 56.313 56.287 -0.007 0.000 0.737 629 K CB -2.343 30.180 32.500 0.037 0.000 1.308 629 K HN 0.698 nan 8.250 nan 0.000 0.470 630 A N 1.149 123.990 122.820 0.034 0.000 2.524 630 A HA 0.206 4.823 4.320 0.495 0.000 0.250 630 A C -0.315 177.305 177.584 0.060 0.000 1.078 630 A CA -0.902 51.185 52.037 0.084 0.000 0.761 630 A CB 0.181 19.269 19.000 0.146 0.000 1.012 630 A HN 0.184 nan 8.150 nan 0.000 0.500 631 P HA -0.068 nan 4.420 nan 0.000 0.218 631 P C -0.028 177.320 177.300 0.080 0.000 1.152 631 P CA 1.094 64.233 63.100 0.066 0.000 0.826 631 P CB 0.220 31.961 31.700 0.068 0.000 0.790 632 Q N 0.063 119.942 119.800 0.131 0.000 2.341 632 Q HA 0.660 5.297 4.340 0.495 0.000 0.268 632 Q C -0.679 175.395 176.000 0.124 0.000 1.013 632 Q CA -0.240 55.681 55.803 0.198 0.000 0.798 632 Q CB 2.146 31.067 28.738 0.306 0.000 1.253 632 Q HN 0.078 nan 8.270 nan 0.000 0.457 633 L N 2.926 124.084 121.223 -0.109 0.000 2.424 633 L HA 0.657 5.294 4.340 0.495 0.000 0.258 633 L C -2.319 174.138 176.870 -0.688 0.000 0.995 633 L CA -2.262 52.233 54.840 -0.575 0.000 0.821 633 L CB 2.535 44.424 42.059 -0.283 0.000 1.383 633 L HN 0.491 nan 8.230 nan 0.000 0.410 634 P HA 0.182 nan 4.420 nan 0.000 0.274 634 P C -0.332 176.881 177.300 -0.146 0.000 1.246 634 P CA -0.507 62.293 63.100 -0.500 0.000 0.795 634 P CB 1.037 32.329 31.700 -0.681 0.000 1.006 635 K N -0.047 120.328 120.400 -0.042 0.000 2.097 635 K HA 0.003 4.621 4.320 0.495 0.000 0.206 635 K C 1.158 177.810 176.600 0.087 0.000 1.049 635 K CA 1.375 57.681 56.287 0.031 0.000 0.933 635 K CB -0.323 32.188 32.500 0.018 0.000 0.717 635 K HN 0.730 nan 8.250 nan 0.000 0.442 636 S N -0.865 114.799 115.700 -0.061 0.000 2.607 636 S HA 0.545 5.312 4.470 0.495 0.000 0.273 636 S C -0.575 173.738 174.600 -0.478 0.000 1.148 636 S CA -0.940 57.167 58.200 -0.154 0.000 0.833 636 S CB 2.030 65.202 63.200 -0.047 0.000 1.130 636 S HN -0.016 nan 8.310 nan 0.000 0.470 637 V N -0.344 119.214 119.914 -0.593 0.000 2.962 637 V HA 0.695 5.112 4.120 0.495 0.000 0.313 637 V C 0.444 176.416 176.094 -0.203 0.000 1.099 637 V CA -0.727 61.283 62.300 -0.484 0.000 0.971 637 V CB 1.623 33.017 31.823 -0.715 0.000 1.028 637 V HN 0.966 nan 8.190 nan 0.000 0.430 638 N N 1.571 120.210 118.700 -0.102 0.000 2.278 638 N HA 0.136 5.174 4.740 0.495 0.000 0.181 638 N C 0.215 175.726 175.510 0.002 0.000 1.023 638 N CA 1.127 54.163 53.050 -0.023 0.000 0.862 638 N CB 0.214 38.718 38.487 0.029 0.000 1.003 638 N HN 0.738 nan 8.380 nan 0.000 0.431 639 K N 0.284 120.695 120.400 0.019 0.000 2.469 639 K HA 0.354 4.971 4.320 0.495 0.000 0.254 639 K C -0.851 175.822 176.600 0.122 0.000 0.939 639 K CA -0.658 55.674 56.287 0.076 0.000 0.812 639 K CB 2.509 35.063 32.500 0.089 0.000 1.301 639 K HN 0.264 nan 8.250 nan 0.000 0.433 640 I N -1.942 118.743 120.570 0.192 0.000 2.608 640 I HA 0.619 5.086 4.170 0.495 0.000 0.295 640 I C -1.031 175.292 176.117 0.344 0.000 1.049 640 I CA -0.666 60.814 61.300 0.301 0.000 1.063 640 I CB 2.454 40.687 38.000 0.388 0.000 1.248 640 I HN 0.427 nan 8.210 nan 0.000 0.424 641 K N 4.531 125.194 120.400 0.439 0.000 2.525 641 K HA 0.794 5.412 4.320 0.495 0.000 0.254 641 K C -1.363 175.577 176.600 0.567 0.000 0.934 641 K CA -0.581 55.990 56.287 0.475 0.000 0.802 641 K CB 2.338 35.120 32.500 0.470 0.000 1.295 641 K HN 0.942 nan 8.250 nan 0.000 0.433 642 A N 2.326 125.416 122.820 0.449 0.000 2.264 642 A HA 0.578 5.195 4.320 0.495 0.000 0.304 642 A C -0.746 176.955 177.584 0.196 0.000 1.100 642 A CA -0.634 51.618 52.037 0.357 0.000 0.839 642 A CB 1.113 20.330 19.000 0.363 0.000 1.121 642 A HN 0.397 nan 8.150 nan 0.000 0.496 643 V N 2.607 122.532 119.914 0.018 0.000 2.383 643 V HA 0.281 4.698 4.120 0.495 0.000 0.275 643 V C -2.244 173.750 176.094 -0.168 0.000 1.036 643 V CA -1.481 60.622 62.300 -0.328 0.000 0.889 643 V CB 1.035 32.597 31.823 -0.434 0.000 0.985 643 V HN 0.734 nan 8.190 nan 0.000 0.459 644 P HA 0.162 nan 4.420 nan 0.000 0.261 644 P C 1.008 178.236 177.300 -0.120 0.000 1.183 644 P CA 1.372 64.441 63.100 -0.051 0.000 0.761 644 P CB 0.498 32.219 31.700 0.036 0.000 0.785 645 G N 2.093 110.842 108.800 -0.085 0.000 2.179 645 G HA2 -0.219 4.039 3.960 0.495 0.000 0.260 645 G HA3 -0.219 4.039 3.960 0.495 0.000 0.260 645 G C 0.040 174.840 174.900 -0.167 0.000 0.977 645 G CA -0.115 44.921 45.100 -0.108 0.000 0.641 645 G HN 0.520 nan 8.290 nan 0.000 0.533 646 K N 1.084 121.352 120.400 -0.219 0.000 2.579 646 K HA 0.339 4.956 4.320 0.495 0.000 0.225 646 K C -0.095 176.441 176.600 -0.108 0.000 0.992 646 K CA -0.590 55.490 56.287 -0.345 0.000 1.018 646 K CB 1.510 33.517 32.500 -0.822 0.000 1.249 646 K HN 0.557 nan 8.250 nan 0.000 0.489 647 E N 0.224 120.427 120.200 0.005 0.000 2.415 647 E HA 0.105 4.752 4.350 0.495 0.000 0.263 647 E C 0.842 177.592 176.600 0.249 0.000 0.995 647 E CA 1.101 57.576 56.400 0.125 0.000 0.915 647 E CB 0.267 30.026 29.700 0.099 0.000 0.951 647 E HN 0.772 nan 8.360 nan 0.000 0.449 648 G N 3.864 112.846 108.800 0.303 0.000 2.184 648 G HA2 -0.286 3.971 3.960 0.495 0.000 0.264 648 G HA3 -0.286 3.971 3.960 0.495 0.000 0.264 648 G C -0.266 174.712 174.900 0.130 0.000 0.975 648 G CA 0.499 45.756 45.100 0.261 0.000 0.642 648 G HN 0.713 nan 8.290 nan 0.000 0.536 649 H N 0.121 119.211 119.070 0.034 0.000 2.934 649 H HA 0.529 5.382 4.556 0.495 0.000 0.273 649 H C 0.121 175.494 175.328 0.076 0.000 1.121 649 H CA 0.104 56.178 56.048 0.045 0.000 1.451 649 H CB 0.933 30.809 29.762 0.190 0.000 1.469 649 H HN 0.223 nan 8.280 nan 0.000 0.476 650 V N 4.298 124.208 119.914 -0.007 0.000 2.540 650 V HA 0.276 4.693 4.120 0.495 0.000 0.302 650 V C -0.688 175.540 176.094 0.224 0.000 1.035 650 V CA -1.004 61.371 62.300 0.126 0.000 0.873 650 V CB 1.269 33.028 31.823 -0.107 0.000 0.992 650 V HN 0.669 nan 8.190 nan 0.000 0.428 651 W N 4.307 125.840 121.300 0.388 0.000 2.573 651 W HA 0.778 5.736 4.660 0.495 0.000 0.326 651 W C -0.615 176.117 176.519 0.354 0.000 1.049 651 W CA -0.598 57.006 57.345 0.431 0.000 1.220 651 W CB 1.482 31.265 29.460 0.539 0.000 1.373 651 W HN 0.320 nan 8.180 nan 0.000 0.507 652 L N 3.578 125.086 121.223 0.476 0.000 2.313 652 L HA 0.719 5.356 4.340 0.495 0.000 0.283 652 L C 0.229 177.249 176.870 0.250 0.000 1.013 652 L CA -1.204 53.775 54.840 0.232 0.000 0.816 652 L CB 1.253 43.255 42.059 -0.095 0.000 1.236 652 L HN 0.534 nan 8.230 nan 0.000 0.419 653 A N 2.626 125.537 122.820 0.153 0.000 2.341 653 A HA 0.658 5.276 4.320 0.495 0.000 0.326 653 A C 0.623 178.213 177.584 0.011 0.000 1.402 653 A CA -0.276 51.827 52.037 0.110 0.000 0.957 653 A CB 0.755 19.817 19.000 0.104 0.000 1.151 653 A HN 0.854 nan 8.150 nan 0.000 0.533 654 A N 3.055 125.882 122.820 0.013 0.000 2.460 654 A HA 0.476 5.093 4.320 0.495 0.000 0.258 654 A C 1.257 178.820 177.584 -0.036 0.000 1.300 654 A CA 0.178 52.174 52.037 -0.069 0.000 0.913 654 A CB -0.312 18.642 19.000 -0.078 0.000 1.031 654 A HN 1.021 nan 8.150 nan 0.000 0.512 655 R N -0.798 119.672 120.500 -0.050 0.000 3.934 655 R HA -0.263 4.375 4.340 0.495 0.000 0.384 655 R C 0.785 176.991 176.300 -0.157 0.000 0.241 655 R CA 1.927 57.942 56.100 -0.142 0.000 1.241 655 R CB -1.210 29.108 30.300 0.031 0.000 0.999 655 R HN 0.539 nan 8.270 nan 0.000 0.562 656 E N 0.819 120.967 120.200 -0.086 0.000 2.418 656 E HA -0.032 4.616 4.350 0.495 0.000 0.197 656 E C 1.731 178.327 176.600 -0.007 0.000 1.026 656 E CA 0.702 57.069 56.400 -0.055 0.000 0.862 656 E CB -0.116 29.573 29.700 -0.018 0.000 0.799 656 E HN 0.626 nan 8.360 nan 0.000 0.518 657 G N 0.838 109.655 108.800 0.029 0.000 2.679 657 G HA2 0.163 4.420 3.960 0.495 0.000 0.212 657 G HA3 0.163 4.420 3.960 0.495 0.000 0.212 657 G C 0.768 175.815 174.900 0.246 0.000 1.137 657 G CA 0.352 45.528 45.100 0.127 0.000 0.787 657 G HN 0.454 nan 8.290 nan 0.000 0.534 658 G N -1.108 107.757 108.800 0.108 0.000 2.548 658 G HA2 0.094 4.351 3.960 0.495 0.000 0.208 658 G HA3 0.094 4.351 3.960 0.495 0.000 0.208 658 G C -0.994 173.995 174.900 0.147 0.000 1.308 658 G CA -0.244 44.883 45.100 0.045 0.000 0.924 658 G HN 0.922 nan 8.290 nan 0.000 0.540 659 L N -0.574 120.678 121.223 0.049 0.000 2.341 659 L HA 0.923 5.560 4.340 0.495 0.000 0.278 659 L C -1.179 175.777 176.870 0.144 0.000 1.005 659 L CA -0.854 54.112 54.840 0.209 0.000 0.818 659 L CB 1.325 43.489 42.059 0.174 0.000 1.259 659 L HN 0.674 nan 8.230 nan 0.000 0.418 660 W N 4.707 126.084 121.300 0.128 0.000 2.844 660 W HA 0.745 5.703 4.660 0.495 0.000 0.340 660 W C -0.636 175.887 176.519 0.007 0.000 1.093 660 W CA -0.688 56.695 57.345 0.062 0.000 1.212 660 W CB 1.460 30.913 29.460 -0.012 0.000 1.422 660 W HN 0.514 nan 8.180 nan 0.000 0.515 661 R N 0.727 121.229 120.500 0.004 0.000 2.686 661 R HA 0.865 5.503 4.340 0.495 0.000 0.283 661 R C -1.036 174.992 176.300 -0.454 0.000 0.978 661 R CA -0.752 54.986 56.100 -0.603 0.000 0.897 661 R CB 2.170 31.578 30.300 -1.487 0.000 1.192 661 R HN 0.305 nan 8.270 nan 0.000 0.457 662 S N 0.264 115.529 115.700 -0.726 0.000 2.536 662 S HA 0.384 5.151 4.470 0.495 0.000 0.298 662 S C 0.135 174.327 174.600 -0.681 0.000 1.083 662 S CA -0.374 57.267 58.200 -0.931 0.000 0.995 662 S CB 1.711 63.937 63.200 -1.624 0.000 1.058 662 S HN 0.755 nan 8.310 nan 0.000 0.488 663 T N -0.378 113.826 114.554 -0.584 0.000 3.145 663 T HA 0.268 4.915 4.350 0.495 0.000 0.281 663 T C -0.185 174.346 174.700 -0.282 0.000 1.003 663 T CA -0.075 61.654 62.100 -0.619 0.000 0.901 663 T CB -0.246 68.219 68.868 -0.671 0.000 1.112 663 T HN 0.605 nan 8.240 nan 0.000 0.535 664 D N 0.098 120.360 120.400 -0.228 0.000 2.740 664 D HA 0.349 5.286 4.640 0.495 0.000 0.301 664 D C 1.330 177.690 176.300 0.100 0.000 1.408 664 D CA -0.234 53.741 54.000 -0.042 0.000 0.808 664 D CB -0.209 40.570 40.800 -0.035 0.000 1.128 664 D HN 0.361 nan 8.370 nan 0.000 0.465 665 G N -0.320 108.497 108.800 0.028 0.000 2.148 665 G HA2 -0.006 4.251 3.960 0.495 0.000 0.254 665 G HA3 -0.006 4.251 3.960 0.495 0.000 0.254 665 G C 1.135 176.083 174.900 0.080 0.000 0.981 665 G CA 0.307 45.529 45.100 0.204 0.000 0.670 665 G HN 1.480 nan 8.290 nan 0.000 0.528 666 G N -2.118 106.481 108.800 -0.335 0.000 2.131 666 G HA2 -0.249 4.008 3.960 0.495 0.000 0.223 666 G HA3 -0.249 4.008 3.960 0.495 0.000 0.223 666 G C 0.730 175.431 174.900 -0.331 0.000 0.990 666 G CA 0.864 45.575 45.100 -0.648 0.000 0.671 666 G HN 0.938 nan 8.290 nan 0.000 0.521 667 Y N 1.144 121.358 120.300 -0.142 0.000 2.286 667 Y HA 0.216 5.063 4.550 0.495 0.000 0.293 667 Y C 2.131 177.986 175.900 -0.074 0.000 1.124 667 Y CA 1.928 60.006 58.100 -0.037 0.000 1.178 667 Y CB 0.423 38.875 38.460 -0.014 0.000 1.010 667 Y HN 0.516 nan 8.280 nan 0.000 0.536 668 T N -2.344 112.167 114.554 -0.072 0.000 2.886 668 T HA 0.572 5.219 4.350 0.495 0.000 0.292 668 T C -1.048 173.469 174.700 -0.304 0.000 1.012 668 T CA -0.662 61.392 62.100 -0.078 0.000 0.982 668 T CB 1.358 70.204 68.868 -0.038 0.000 1.018 668 T HN -0.125 nan 8.240 nan 0.000 0.451 669 F N 1.018 120.947 119.950 -0.035 0.000 2.508 669 F HA 0.567 5.391 4.527 0.495 0.000 0.325 669 F C 0.445 176.305 175.800 0.101 0.000 1.090 669 F CA -0.865 57.142 58.000 0.013 0.000 0.945 669 F CB 2.151 41.204 39.000 0.088 0.000 1.156 669 F HN 0.721 nan 8.300 nan 0.000 0.463 670 E N 3.712 124.022 120.200 0.184 0.000 2.171 670 E HA 0.210 4.858 4.350 0.495 0.000 0.271 670 E C -1.137 175.386 176.600 -0.127 0.000 0.916 670 E CA -0.803 55.602 56.400 0.009 0.000 0.774 670 E CB 1.419 31.059 29.700 -0.100 0.000 1.128 670 E HN 0.565 nan 8.360 nan 0.000 0.403 671 K N 4.898 124.990 120.400 -0.513 0.000 2.276 671 K HA 0.166 4.783 4.320 0.495 0.000 0.285 671 K C -0.659 175.646 176.600 -0.492 0.000 1.062 671 K CA -0.641 55.027 56.287 -1.031 0.000 0.918 671 K CB 0.447 31.982 32.500 -1.608 0.000 1.055 671 K HN 0.399 nan 8.250 nan 0.000 0.477 672 L N 4.202 125.222 121.223 -0.339 0.000 2.433 672 L HA -0.000 4.637 4.340 0.495 0.000 0.275 672 L C 1.450 178.228 176.870 -0.153 0.000 1.128 672 L CA 0.519 55.286 54.840 -0.122 0.000 0.875 672 L CB 1.124 43.237 42.059 0.090 0.000 1.171 672 L HN 0.758 nan 8.230 nan 0.000 0.463 673 S N 1.107 116.738 115.700 -0.115 0.000 2.481 673 S HA -0.115 4.653 4.470 0.495 0.000 0.231 673 S C 1.217 175.767 174.600 -0.083 0.000 0.996 673 S CA 0.761 58.893 58.200 -0.113 0.000 0.942 673 S CB -0.454 62.695 63.200 -0.085 0.000 0.768 673 S HN 0.792 nan 8.310 nan 0.000 0.520 674 N N 1.010 119.690 118.700 -0.033 0.000 2.322 674 N HA 0.110 5.148 4.740 0.495 0.000 0.194 674 N C -0.409 174.997 175.510 -0.173 0.000 1.126 674 N CA -0.135 52.898 53.050 -0.027 0.000 0.845 674 N CB 0.006 38.561 38.487 0.113 0.000 0.976 674 N HN 0.329 nan 8.380 nan 0.000 0.475 675 V N 0.905 120.678 119.914 -0.235 0.000 2.444 675 V HA 0.142 4.559 4.120 0.495 0.000 0.294 675 V C 0.541 176.467 176.094 -0.279 0.000 1.022 675 V CA -0.814 61.249 62.300 -0.395 0.000 0.850 675 V CB 1.779 33.319 31.823 -0.471 0.000 0.992 675 V HN 0.084 nan 8.190 nan 0.000 0.426 676 D N 3.214 123.446 120.400 -0.279 0.000 2.106 676 D HA -0.035 4.902 4.640 0.495 0.000 0.203 676 D C 0.407 176.597 176.300 -0.182 0.000 0.977 676 D CA 1.234 55.119 54.000 -0.193 0.000 0.844 676 D CB 0.664 41.365 40.800 -0.166 0.000 1.002 676 D HN 0.547 nan 8.370 nan 0.000 0.461 677 T N 0.007 114.424 114.554 -0.228 0.000 2.841 677 T HA 0.671 5.318 4.350 0.495 0.000 0.285 677 T C -0.844 173.683 174.700 -0.288 0.000 0.991 677 T CA -0.630 61.318 62.100 -0.253 0.000 0.966 677 T CB 1.934 70.641 68.868 -0.267 0.000 0.962 677 T HN 0.188 nan 8.240 nan 0.000 0.438 678 A N 2.428 125.093 122.820 -0.259 0.000 2.466 678 A HA 0.515 5.132 4.320 0.495 0.000 0.291 678 A C 0.565 178.061 177.584 -0.146 0.000 1.234 678 A CA -0.594 51.341 52.037 -0.170 0.000 0.752 678 A CB 0.386 19.343 19.000 -0.071 0.000 1.153 678 A HN 0.957 nan 8.150 nan 0.000 0.458 679 H N 1.223 120.305 119.070 0.019 0.000 2.403 679 H HA 0.084 4.937 4.556 0.496 0.000 0.298 679 H C 0.825 176.158 175.328 0.008 0.000 1.059 679 H CA 2.260 58.313 56.048 0.008 0.000 1.363 679 H CB 0.338 30.102 29.762 0.002 0.000 1.410 679 H HN 0.682 nan 8.280 nan 0.000 0.528 680 V N -2.323 117.670 119.914 0.132 0.000 3.114 680 V HA 0.636 5.053 4.120 0.495 0.000 0.308 680 V C -0.646 175.477 176.094 0.049 0.000 1.168 680 V CA -1.033 61.313 62.300 0.077 0.000 1.015 680 V CB 2.599 34.450 31.823 0.046 0.000 1.050 680 V HN -0.098 nan 8.190 nan 0.000 0.433 681 V N 1.535 121.459 119.914 0.015 0.000 2.760 681 V HA 1.030 5.447 4.120 0.495 0.000 0.309 681 V C 0.128 176.068 176.094 -0.256 0.000 1.077 681 V CA 0.766 63.011 62.300 -0.092 0.000 0.910 681 V CB 1.709 33.514 31.823 -0.030 0.000 1.008 681 V HN 1.768 nan 8.190 nan 0.000 0.424 682 G N 4.211 112.744 108.800 -0.445 0.000 2.708 682 G HA2 0.792 5.050 3.960 0.495 0.000 0.289 682 G HA3 0.792 5.050 3.960 0.495 0.000 0.289 682 G C -2.017 172.454 174.900 -0.715 0.000 1.416 682 G CA -0.636 44.172 45.100 -0.486 0.000 0.829 682 G HN 0.600 nan 8.290 nan 0.000 0.480 683 F N -0.768 119.301 119.950 0.199 0.000 2.576 683 F HA 0.802 5.626 4.527 0.496 0.000 0.313 683 F C 0.637 176.579 175.800 0.237 0.000 1.078 683 F CA -0.556 57.567 58.000 0.205 0.000 0.921 683 F CB 2.661 41.715 39.000 0.090 0.000 1.232 683 F HN 0.792 nan 8.300 nan 0.000 0.459 684 G N 0.505 109.593 108.800 0.479 0.000 2.798 684 G HA2 0.445 4.702 3.960 0.495 0.000 0.286 684 G HA3 0.445 4.702 3.960 0.495 0.000 0.286 684 G C -1.541 173.540 174.900 0.300 0.000 1.389 684 G CA -1.220 44.085 45.100 0.341 0.000 0.894 684 G HN 0.618 nan 8.290 nan 0.000 0.488 685 K N 0.179 120.724 120.400 0.241 0.000 2.548 685 K HA 0.240 4.857 4.320 0.495 0.000 0.277 685 K C 0.810 177.602 176.600 0.320 0.000 1.001 685 K CA 0.280 56.705 56.287 0.231 0.000 1.102 685 K CB 0.079 32.709 32.500 0.218 0.000 0.848 685 K HN 0.657 nan 8.250 nan 0.000 0.487 686 A N 3.608 126.546 122.820 0.197 0.000 2.498 686 A HA 0.308 4.925 4.320 0.495 0.000 0.239 686 A C 0.175 177.794 177.584 0.059 0.000 1.068 686 A CA 0.295 52.425 52.037 0.154 0.000 0.766 686 A CB 0.200 19.239 19.000 0.065 0.000 1.003 686 A HN 0.902 nan 8.150 nan 0.000 0.497 687 A N 3.443 126.209 122.820 -0.090 0.000 2.466 687 A HA 0.490 5.107 4.320 0.495 0.000 0.238 687 A C -2.166 175.209 177.584 -0.348 0.000 1.074 687 A CA -0.917 50.745 52.037 -0.625 0.000 0.774 687 A CB -0.758 17.983 19.000 -0.431 0.000 1.015 687 A HN 0.657 nan 8.150 nan 0.000 0.498 688 P HA 0.233 nan 4.420 nan 0.000 0.260 688 P C 1.026 178.252 177.300 -0.123 0.000 1.185 688 P CA 1.927 64.913 63.100 -0.189 0.000 0.763 688 P CB 0.465 32.063 31.700 -0.170 0.000 0.776 689 G N 1.693 110.448 108.800 -0.074 0.000 2.258 689 G HA2 -0.190 4.067 3.960 0.495 0.000 0.233 689 G HA3 -0.190 4.067 3.960 0.495 0.000 0.233 689 G C 0.145 175.028 174.900 -0.028 0.000 1.006 689 G CA -0.413 44.660 45.100 -0.045 0.000 0.620 689 G HN 0.511 nan 8.290 nan 0.000 0.511 690 Q N 0.652 120.433 119.800 -0.032 0.000 2.306 690 Q HA 0.454 5.091 4.340 0.495 0.000 0.241 690 Q C 0.039 176.058 176.000 0.031 0.000 0.948 690 Q CA -0.110 55.696 55.803 0.004 0.000 0.886 690 Q CB 1.085 29.827 28.738 0.006 0.000 1.227 690 Q HN 0.324 nan 8.270 nan 0.000 0.457 691 D N 0.256 120.698 120.400 0.070 0.000 2.440 691 D HA 0.111 5.048 4.640 0.495 0.000 0.216 691 D C -0.342 176.047 176.300 0.150 0.000 1.150 691 D CA 0.338 54.387 54.000 0.082 0.000 0.832 691 D CB 0.459 41.306 40.800 0.078 0.000 0.992 691 D HN 0.352 nan 8.370 nan 0.000 0.502 695 I N 1.636 122.110 120.570 -0.161 0.000 2.412 695 I HA 0.563 5.031 4.170 0.495 0.000 0.296 695 I C -1.049 174.888 176.117 -0.299 0.000 0.987 695 I CA -0.562 60.646 61.300 -0.154 0.000 1.180 695 I CB 1.446 39.333 38.000 -0.188 0.000 1.340 695 I HN 0.635 nan 8.210 nan 0.000 0.455 696 Y N 6.205 126.510 120.300 0.007 0.000 2.409 696 Y HA 0.712 5.560 4.550 0.495 0.000 0.343 696 Y C -0.031 175.911 175.900 0.070 0.000 0.973 696 Y CA -0.930 57.233 58.100 0.104 0.000 1.064 696 Y CB 1.891 40.371 38.460 0.034 0.000 1.207 696 Y HN 0.385 nan 8.280 nan 0.000 0.452 697 I N -0.733 120.011 120.570 0.290 0.000 2.969 697 I HA 0.870 5.337 4.170 0.495 0.000 0.307 697 I C -0.703 175.556 176.117 0.237 0.000 1.149 697 I CA -0.986 60.417 61.300 0.172 0.000 1.008 697 I CB 2.682 40.699 38.000 0.030 0.000 1.232 697 I HN 0.547 nan 8.210 nan 0.000 0.435 698 T N 0.706 115.373 114.554 0.189 0.000 2.888 698 T HA 0.946 5.593 4.350 0.495 0.000 0.284 698 T C 0.033 174.894 174.700 0.269 0.000 1.017 698 T CA 0.048 62.323 62.100 0.292 0.000 1.022 698 T CB 1.522 70.520 68.868 0.216 0.000 1.013 698 T HN 1.634 nan 8.240 nan 0.000 0.465 699 G N 1.483 110.486 108.800 0.339 0.000 2.480 699 G HA2 0.311 4.568 3.960 0.495 0.000 0.109 699 G HA3 0.311 4.568 3.960 0.495 0.000 0.109 699 G C -1.617 173.401 174.900 0.196 0.000 1.172 699 G CA -0.450 44.735 45.100 0.141 0.000 1.091 699 G HN 0.898 nan 8.290 nan 0.000 0.464 700 K N 0.113 120.490 120.400 -0.039 0.000 2.535 700 K HA 0.748 5.365 4.320 0.495 0.000 0.250 700 K C -1.512 174.856 176.600 -0.386 0.000 0.948 700 K CA -0.676 55.558 56.287 -0.088 0.000 0.796 700 K CB 1.490 33.962 32.500 -0.047 0.000 1.216 700 K HN 0.467 nan 8.250 nan 0.000 0.432 701 I N 3.327 123.564 120.570 -0.555 0.000 2.533 701 I HA 0.201 4.669 4.170 0.495 0.000 0.290 701 I C -0.778 175.179 176.117 -0.268 0.000 1.056 701 I CA -0.741 60.194 61.300 -0.608 0.000 1.057 701 I CB 2.069 39.391 38.000 -1.129 0.000 1.240 701 I HN 0.805 nan 8.210 nan 0.000 0.423 702 D N 4.223 124.520 120.400 -0.172 0.000 2.686 702 D HA -0.240 4.697 4.640 0.495 0.000 0.235 702 D C 0.232 176.515 176.300 -0.029 0.000 1.160 702 D CA 1.064 55.021 54.000 -0.071 0.000 0.645 702 D CB -1.212 39.569 40.800 -0.032 0.000 1.039 702 D HN 0.833 nan 8.370 nan 0.000 0.423 703 N N -2.502 116.177 118.700 -0.036 0.000 2.714 703 N HA -0.214 4.824 4.740 0.495 0.000 0.250 703 N C -0.885 174.647 175.510 0.037 0.000 1.117 703 N CA 1.039 54.089 53.050 -0.000 0.000 0.719 703 N CB -0.326 38.164 38.487 0.005 0.000 1.081 703 N HN 0.276 nan 8.380 nan 0.000 0.557 704 V N 1.184 121.139 119.914 0.069 0.000 2.409 704 V HA 0.415 4.832 4.120 0.495 0.000 0.291 704 V C 0.410 176.652 176.094 0.247 0.000 1.020 704 V CA -0.694 61.697 62.300 0.151 0.000 0.848 704 V CB 1.737 33.687 31.823 0.212 0.000 0.990 704 V HN 0.100 nan 8.190 nan 0.000 0.430 705 L N 4.769 126.088 121.223 0.160 0.000 2.326 705 L HA 0.897 5.534 4.340 0.495 0.000 0.278 705 L C 0.922 177.822 176.870 0.049 0.000 1.092 705 L CA 0.509 55.445 54.840 0.160 0.000 0.810 705 L CB 1.252 43.369 42.059 0.096 0.000 1.153 705 L HN 0.935 nan 8.230 nan 0.000 0.439 706 G N 1.642 110.470 108.800 0.046 0.000 2.403 706 G HA2 0.163 4.420 3.960 0.495 0.000 0.223 706 G HA3 0.163 4.420 3.960 0.495 0.000 0.223 706 G C -1.792 172.976 174.900 -0.220 0.000 1.287 706 G CA -0.800 44.075 45.100 -0.375 0.000 0.982 706 G HN 0.156 nan 8.290 nan 0.000 0.471 707 F N 0.458 120.041 119.950 -0.612 0.000 2.469 707 F HA 0.892 5.716 4.527 0.495 0.000 0.332 707 F C -0.363 175.031 175.800 -0.676 0.000 1.103 707 F CA -1.828 55.939 58.000 -0.388 0.000 0.979 707 F CB 1.387 40.303 39.000 -0.140 0.000 1.137 707 F HN 0.314 nan 8.300 nan 0.000 0.463 708 F N 1.134 121.253 119.950 0.282 0.000 2.588 708 F HA 0.678 5.503 4.527 0.495 0.000 0.314 708 F C -0.152 175.838 175.800 0.317 0.000 1.069 708 F CA -1.036 57.111 58.000 0.246 0.000 0.931 708 F CB 2.317 41.400 39.000 0.139 0.000 1.260 708 F HN 0.346 nan 8.300 nan 0.000 0.465 709 R N 1.030 121.802 120.500 0.455 0.000 2.561 709 R HA 0.635 5.272 4.340 0.495 0.000 0.297 709 R C -1.477 174.833 176.300 0.017 0.000 0.969 709 R CA -0.428 55.715 56.100 0.072 0.000 0.879 709 R CB 2.025 32.251 30.300 -0.124 0.000 1.178 709 R HN 0.720 nan 8.270 nan 0.000 0.445 710 S N 2.001 117.453 115.700 -0.412 0.000 2.449 710 S HA 0.245 5.012 4.470 0.495 0.000 0.310 710 S C -0.241 174.143 174.600 -0.360 0.000 1.096 710 S CA -0.708 57.067 58.200 -0.709 0.000 1.095 710 S CB 1.237 63.465 63.200 -1.620 0.000 1.007 710 S HN 0.688 nan 8.310 nan 0.000 0.474 711 D N 2.593 122.873 120.400 -0.200 0.000 2.369 711 D HA 0.098 5.035 4.640 0.495 0.000 0.211 711 D C -0.347 175.924 176.300 -0.049 0.000 1.077 711 D CA 0.289 54.262 54.000 -0.045 0.000 0.842 711 D CB 0.382 41.201 40.800 0.032 0.000 0.947 711 D HN 0.734 nan 8.370 nan 0.000 0.509 712 D N -0.575 119.745 120.400 -0.133 0.000 2.952 712 D HA 0.343 5.280 4.640 0.495 0.000 0.373 712 D C 0.592 176.805 176.300 -0.145 0.000 1.360 712 D CA -0.838 53.103 54.000 -0.098 0.000 0.788 712 D CB 0.144 40.886 40.800 -0.096 0.000 1.192 712 D HN -0.059 nan 8.370 nan 0.000 0.462 713 A N 0.016 122.743 122.820 -0.154 0.000 2.799 713 A HA 0.102 4.720 4.320 0.495 0.000 0.287 713 A C 1.750 179.287 177.584 -0.079 0.000 1.484 713 A CA 1.388 53.277 52.037 -0.248 0.000 0.813 713 A CB -1.954 16.740 19.000 -0.511 0.000 1.009 713 A HN 1.765 nan 8.150 nan 0.000 0.545 714 G N -2.166 106.461 108.800 -0.288 0.000 2.175 714 G HA2 -0.295 3.962 3.960 0.495 0.000 0.244 714 G HA3 -0.295 3.962 3.960 0.495 0.000 0.244 714 G C 0.729 175.520 174.900 -0.182 0.000 0.982 714 G CA 1.188 46.124 45.100 -0.273 0.000 0.641 714 G HN 0.925 nan 8.290 nan 0.000 0.527 715 K N 0.085 120.367 120.400 -0.197 0.000 2.057 715 K HA 0.102 4.719 4.320 0.495 0.000 0.206 715 K C 1.460 177.998 176.600 -0.103 0.000 1.050 715 K CA 1.650 57.878 56.287 -0.099 0.000 0.935 715 K CB -0.077 32.374 32.500 -0.082 0.000 0.715 715 K HN 0.709 nan 8.250 nan 0.000 0.439 716 T N -2.731 111.673 114.554 -0.249 0.000 2.903 716 T HA 0.516 5.163 4.350 0.495 0.000 0.299 716 T C -1.530 172.944 174.700 -0.377 0.000 1.093 716 T CA -1.024 60.982 62.100 -0.156 0.000 1.002 716 T CB 1.268 70.105 68.868 -0.052 0.000 1.127 716 T HN 0.135 nan 8.240 nan 0.000 0.488 717 W N 0.892 122.210 121.300 0.030 0.000 2.936 717 W HA 0.668 5.625 4.660 0.496 0.000 0.338 717 W C -0.685 175.901 176.519 0.113 0.000 1.121 717 W CA -0.907 56.474 57.345 0.060 0.000 1.209 717 W CB 2.191 31.658 29.460 0.012 0.000 1.420 717 W HN 0.754 nan 8.180 nan 0.000 0.516 718 V N -0.134 120.024 119.914 0.407 0.000 2.823 718 V HA 0.624 5.041 4.120 0.495 0.000 0.312 718 V C -0.301 176.044 176.094 0.418 0.000 1.072 718 V CA -1.670 60.833 62.300 0.339 0.000 0.937 718 V CB 1.652 33.604 31.823 0.216 0.000 1.013 718 V HN 0.653 nan 8.190 nan 0.000 0.430 719 R N 2.645 123.339 120.500 0.325 0.000 2.347 719 R HA 0.468 5.105 4.340 0.495 0.000 0.304 719 R C 0.774 177.040 176.300 -0.057 0.000 1.072 719 R CA 0.081 56.181 56.100 0.000 0.000 0.980 719 R CB 0.966 31.242 30.300 -0.039 0.000 0.986 719 R HN 0.998 nan 8.270 nan 0.000 0.448 720 I N 0.809 121.276 120.570 -0.171 0.000 3.854 720 I HA 0.131 4.598 4.170 0.495 0.000 0.312 720 I C 0.414 176.562 176.117 0.053 0.000 1.273 720 I CA -0.533 60.615 61.300 -0.252 0.000 1.298 720 I CB -0.068 37.519 38.000 -0.689 0.000 1.071 720 I HN 0.428 nan 8.210 nan 0.000 0.428 721 N N 2.664 121.320 118.700 -0.073 0.000 2.495 721 N HA 0.303 5.340 4.740 0.495 0.000 0.294 721 N C -1.007 174.393 175.510 -0.182 0.000 1.276 721 N CA -0.065 52.845 53.050 -0.234 0.000 0.973 721 N CB 0.970 38.800 38.487 -1.096 0.000 1.143 721 N HN 0.406 nan 8.380 nan 0.000 0.589 722 D N -3.165 117.117 120.400 -0.195 0.000 2.664 722 D HA 0.290 5.227 4.640 0.495 0.000 0.292 722 D C -0.556 175.675 176.300 -0.116 0.000 1.214 722 D CA -0.595 53.360 54.000 -0.075 0.000 0.932 722 D CB 0.295 41.138 40.800 0.073 0.000 1.420 722 D HN 0.224 nan 8.370 nan 0.000 0.471 723 D N -0.697 119.664 120.400 -0.064 0.000 2.371 723 D HA -0.038 4.899 4.640 0.495 0.000 0.221 723 D C 0.529 176.773 176.300 -0.094 0.000 0.986 723 D CA 0.763 54.718 54.000 -0.075 0.000 0.899 723 D CB 0.164 40.944 40.800 -0.035 0.000 0.902 723 D HN 0.488 nan 8.370 nan 0.000 0.530 724 E N -0.648 119.488 120.200 -0.106 0.000 2.481 724 E HA 0.031 4.678 4.350 0.495 0.000 0.198 724 E C -0.289 175.923 176.600 -0.645 0.000 1.027 724 E CA 0.045 56.286 56.400 -0.266 0.000 0.900 724 E CB 0.385 29.945 29.700 -0.233 0.000 0.993 724 E HN 0.312 nan 8.360 nan 0.000 0.482 725 H N -1.046 117.810 119.070 -0.356 0.000 2.448 725 H HA 0.261 5.114 4.556 0.496 0.000 0.237 725 H C 0.661 175.566 175.328 -0.704 0.000 1.391 725 H CA -0.367 55.294 56.048 -0.645 0.000 1.477 725 H CB 1.290 30.719 29.762 -0.556 0.000 1.520 725 H HN 0.128 nan 8.280 nan 0.000 0.502 726 G N -0.209 108.271 108.800 -0.533 0.000 2.645 726 G HA2 -0.073 4.184 3.960 0.495 0.000 0.207 726 G HA3 -0.073 4.184 3.960 0.495 0.000 0.207 726 G C -0.140 174.791 174.900 0.052 0.000 1.145 726 G CA -0.071 44.867 45.100 -0.270 0.000 0.831 726 G HN 0.614 nan 8.290 nan 0.000 0.563 727 Y N -0.174 120.206 120.300 0.134 0.000 4.753 727 Y HA -0.194 4.653 4.550 0.495 0.000 0.232 727 Y C 1.940 177.751 175.900 -0.148 0.000 1.029 727 Y CA 0.821 58.956 58.100 0.059 0.000 1.996 727 Y CB -1.637 36.861 38.460 0.062 0.000 1.602 727 Y HN 1.138 nan 8.280 nan 0.000 0.621 728 G N -0.469 108.408 108.800 0.129 0.000 2.514 728 G HA2 0.026 4.283 3.960 0.495 0.000 0.265 728 G HA3 0.026 4.283 3.960 0.495 0.000 0.265 728 G C 0.180 175.061 174.900 -0.032 0.000 1.150 728 G CA 0.188 45.349 45.100 0.102 0.000 0.959 728 G HN 1.528 nan 8.290 nan 0.000 0.556 729 A N 0.172 122.756 122.820 -0.394 0.000 2.347 729 A HA 0.652 5.269 4.320 0.495 0.000 0.287 729 A C 0.792 178.182 177.584 -0.324 0.000 1.199 729 A CA 0.730 52.444 52.037 -0.539 0.000 0.851 729 A CB 0.455 18.776 19.000 -1.131 0.000 1.118 729 A HN 2.256 nan 8.150 nan 0.000 0.525 730 V N 0.904 120.696 119.914 -0.204 0.000 2.647 730 V HA 0.344 4.761 4.120 0.495 0.000 0.305 730 V C -0.383 175.628 176.094 -0.137 0.000 1.162 730 V CA -0.086 62.123 62.300 -0.151 0.000 1.248 730 V CB 0.184 31.950 31.823 -0.096 0.000 1.508 730 V HN 0.761 nan 8.190 nan 0.000 0.647 731 D N -0.567 119.720 120.400 -0.189 0.000 2.623 731 D HA 0.099 5.036 4.640 0.495 0.000 0.252 731 D C 1.076 177.319 176.300 -0.095 0.000 1.294 731 D CA 0.657 54.565 54.000 -0.152 0.000 0.824 731 D CB 0.583 41.172 40.800 -0.352 0.000 1.070 731 D HN 0.543 nan 8.370 nan 0.000 0.487 732 T N -3.348 111.152 114.554 -0.090 0.000 3.056 732 T HA 0.580 5.227 4.350 0.495 0.000 0.243 732 T C 0.807 175.486 174.700 -0.034 0.000 0.995 732 T CA 0.472 62.533 62.100 -0.064 0.000 1.091 732 T CB 0.557 69.378 68.868 -0.078 0.000 0.990 732 T HN 0.294 nan 8.240 nan 0.000 0.464 733 A N 0.245 123.040 122.820 -0.041 0.000 2.566 733 A HA 0.780 5.397 4.320 0.495 0.000 0.297 733 A C -1.818 175.746 177.584 -0.034 0.000 1.059 733 A CA -0.792 51.233 52.037 -0.020 0.000 0.691 733 A CB 1.306 20.299 19.000 -0.012 0.000 1.282 733 A HN 0.548 nan 8.150 nan 0.000 0.401 734 I N 0.855 121.417 120.570 -0.013 0.000 2.692 734 I HA 0.750 5.218 4.170 0.495 0.000 0.293 734 I C -0.878 175.247 176.117 0.013 0.000 1.200 734 I CA 0.044 61.332 61.300 -0.020 0.000 1.036 734 I CB 2.383 40.362 38.000 -0.035 0.000 1.258 734 I HN 0.762 nan 8.210 nan 0.000 0.421 735 T N 4.410 118.988 114.554 0.040 0.000 2.956 735 T HA 0.648 5.295 4.350 0.495 0.000 0.312 735 T C -0.188 174.534 174.700 0.035 0.000 1.151 735 T CA -0.109 62.039 62.100 0.080 0.000 1.024 735 T CB 1.318 70.267 68.868 0.135 0.000 1.140 735 T HN 0.821 nan 8.240 nan 0.000 0.473 736 G N 1.474 110.273 108.800 -0.002 0.000 2.588 736 G HA2 0.405 4.662 3.960 0.495 0.000 0.278 736 G HA3 0.405 4.662 3.960 0.495 0.000 0.278 736 G C -0.781 174.190 174.900 0.118 0.000 1.307 736 G CA -0.234 44.792 45.100 -0.123 0.000 1.016 736 G HN 0.678 nan 8.290 nan 0.000 0.503 737 D N -0.360 120.089 120.400 0.082 0.000 2.381 737 D HA 0.293 5.230 4.640 0.495 0.000 0.235 737 D C -1.467 174.915 176.300 0.137 0.000 1.068 737 D CA -1.900 52.203 54.000 0.172 0.000 0.832 737 D CB 2.360 43.237 40.800 0.128 0.000 1.101 737 D HN -0.019 nan 8.370 nan 0.000 0.515 738 P HA -0.034 nan 4.420 nan 0.000 0.225 738 P C 0.889 178.246 177.300 0.095 0.000 1.148 738 P CA 0.607 63.779 63.100 0.120 0.000 0.779 738 P CB 0.564 32.327 31.700 0.105 0.000 0.780 739 R N -0.939 119.609 120.500 0.081 0.000 2.308 739 R HA 0.217 4.854 4.340 0.495 0.000 0.202 739 R C -0.002 176.342 176.300 0.072 0.000 0.898 739 R CA 0.225 56.364 56.100 0.065 0.000 1.046 739 R CB 0.702 31.029 30.300 0.044 0.000 1.026 739 R HN 0.019 nan 8.270 nan 0.000 0.512 740 V N 1.292 121.252 119.914 0.078 0.000 2.447 740 V HA 0.132 4.549 4.120 0.495 0.000 0.292 740 V C -0.979 175.161 176.094 0.076 0.000 1.021 740 V CA -1.200 61.137 62.300 0.063 0.000 0.850 740 V CB 1.224 33.054 31.823 0.013 0.000 1.005 740 V HN 0.080 nan 8.190 nan 0.000 0.426 741 Y N 4.104 124.426 120.300 0.036 0.000 2.610 741 Y HA 0.440 5.287 4.550 0.496 0.000 0.332 741 Y C 1.337 177.268 175.900 0.052 0.000 1.201 741 Y CA 1.538 59.677 58.100 0.065 0.000 1.465 741 Y CB 0.899 39.390 38.460 0.052 0.000 1.283 741 Y HN 0.981 nan 8.280 nan 0.000 0.563 742 G N 4.492 112.681 108.800 -1.017 0.000 2.299 742 G HA2 -0.326 3.931 3.960 0.495 0.000 0.237 742 G HA3 -0.326 3.931 3.960 0.495 0.000 0.237 742 G C 0.587 175.323 174.900 -0.274 0.000 1.027 742 G CA 0.150 44.815 45.100 -0.725 0.000 0.619 742 G HN 0.830 nan 8.290 nan 0.000 0.513 743 R N 0.436 120.751 120.500 -0.308 0.000 2.537 743 R HA 0.520 5.157 4.340 0.495 0.000 0.280 743 R C -0.640 175.319 176.300 -0.569 0.000 1.058 743 R CA 0.373 56.251 56.100 -0.370 0.000 1.057 743 R CB 0.885 30.981 30.300 -0.340 0.000 0.973 743 R HN 0.433 nan 8.270 nan 0.000 0.438 744 V N 6.053 125.610 119.914 -0.595 0.000 2.760 744 V HA 0.427 4.844 4.120 0.495 0.000 0.309 744 V C -1.739 174.085 176.094 -0.450 0.000 1.077 744 V CA -0.678 61.236 62.300 -0.643 0.000 0.910 744 V CB 1.765 33.222 31.823 -0.611 0.000 1.008 744 V HN 0.730 nan 8.190 nan 0.000 0.424 745 Y N 6.188 126.408 120.300 -0.134 0.000 2.335 745 Y HA 0.715 5.562 4.550 0.495 0.000 0.338 745 Y C 0.208 176.045 175.900 -0.105 0.000 0.977 745 Y CA -0.778 57.283 58.100 -0.066 0.000 1.114 745 Y CB 1.702 40.107 38.460 -0.091 0.000 1.182 745 Y HN 0.425 nan 8.280 nan 0.000 0.463 746 I N 2.814 123.402 120.570 0.030 0.000 2.499 746 I HA 0.576 5.043 4.170 0.495 0.000 0.288 746 I C -0.474 175.575 176.117 -0.114 0.000 1.048 746 I CA -1.177 60.047 61.300 -0.127 0.000 1.062 746 I CB 1.906 39.685 38.000 -0.368 0.000 1.238 746 I HN 0.702 nan 8.210 nan 0.000 0.426 747 A N 4.382 127.138 122.820 -0.107 0.000 2.362 747 A HA 0.628 5.245 4.320 0.495 0.000 0.276 747 A C 0.277 177.787 177.584 -0.124 0.000 1.153 747 A CA -0.170 51.812 52.037 -0.092 0.000 0.813 747 A CB 0.223 19.181 19.000 -0.070 0.000 1.081 747 A HN 0.763 nan 8.150 nan 0.000 0.507 748 T N -0.348 114.142 114.554 -0.106 0.000 2.949 748 T HA 0.455 5.103 4.350 0.495 0.000 0.287 748 T C -0.115 174.524 174.700 -0.101 0.000 1.034 748 T CA -0.863 61.166 62.100 -0.118 0.000 1.018 748 T CB 1.280 70.094 68.868 -0.089 0.000 1.135 748 T HN 0.394 nan 8.240 nan 0.000 0.532 749 N N 0.047 118.662 118.700 -0.141 0.000 3.228 749 N HA 0.407 5.444 4.740 0.495 0.000 0.289 749 N C 0.848 176.403 175.510 0.075 0.000 1.419 749 N CA 0.476 53.482 53.050 -0.073 0.000 1.088 749 N CB -0.281 38.075 38.487 -0.219 0.000 1.357 749 N HN 1.150 nan 8.380 nan 0.000 0.504 750 G N 1.341 110.177 108.800 0.060 0.000 2.273 750 G HA2 -0.136 4.121 3.960 0.495 0.000 0.162 750 G HA3 -0.136 4.121 3.960 0.495 0.000 0.162 750 G C 0.603 175.562 174.900 0.098 0.000 1.006 750 G CA -0.469 44.692 45.100 0.102 0.000 0.704 750 G HN 0.355 nan 8.290 nan 0.000 0.487 751 R N 0.837 121.372 120.500 0.058 0.000 2.652 751 R HA 0.475 5.112 4.340 0.495 0.000 0.372 751 R C 1.393 177.743 176.300 0.084 0.000 1.104 751 R CA 0.711 56.879 56.100 0.114 0.000 1.072 751 R CB 0.041 30.427 30.300 0.145 0.000 1.367 751 R HN 1.384 nan 8.270 nan 0.000 0.577 752 G N 1.411 110.247 108.800 0.061 0.000 2.575 752 G HA2 -0.323 3.934 3.960 0.495 0.000 0.267 752 G HA3 -0.323 3.934 3.960 0.495 0.000 0.267 752 G C -0.085 174.811 174.900 -0.007 0.000 1.264 752 G CA -0.301 44.822 45.100 0.039 0.000 0.935 752 G HN 0.254 nan 8.290 nan 0.000 0.568 753 I N 1.230 121.795 120.570 -0.009 0.000 2.325 753 I HA 0.470 4.937 4.170 0.495 0.000 0.291 753 I C 0.891 177.008 176.117 0.000 0.000 1.019 753 I CA -0.723 60.560 61.300 -0.029 0.000 1.302 753 I CB 1.310 39.263 38.000 -0.079 0.000 1.401 753 I HN 0.665 nan 8.210 nan 0.000 0.485 754 V N 5.188 125.076 119.914 -0.045 0.000 2.612 754 V HA 0.655 5.072 4.120 0.495 0.000 0.301 754 V C -0.894 175.316 176.094 0.193 0.000 1.046 754 V CA -0.608 61.675 62.300 -0.029 0.000 0.946 754 V CB 1.336 32.885 31.823 -0.456 0.000 1.003 754 V HN 0.693 nan 8.190 nan 0.000 0.459 755 Y N 1.704 122.047 120.300 0.071 0.000 2.524 755 Y HA 0.964 5.811 4.550 0.495 0.000 0.347 755 Y C -0.164 175.668 175.900 -0.114 0.000 1.005 755 Y CA -0.611 57.467 58.100 -0.036 0.000 1.025 755 Y CB 1.949 40.311 38.460 -0.164 0.000 1.275 755 Y HN 1.036 nan 8.280 nan 0.000 0.460 756 G N 2.255 110.727 108.800 -0.546 0.000 2.524 756 G HA2 0.633 4.890 3.960 0.495 0.000 0.310 756 G HA3 0.633 4.890 3.960 0.495 0.000 0.310 756 G C -1.834 172.676 174.900 -0.649 0.000 1.279 756 G CA -1.029 43.392 45.100 -1.131 0.000 0.974 756 G HN 0.723 nan 8.290 nan 0.000 0.484 757 E N 1.023 120.760 120.200 -0.773 0.000 2.340 757 E HA 0.340 4.987 4.350 0.495 0.000 0.273 757 E C -2.694 173.135 176.600 -1.285 0.000 0.891 757 E CA -1.939 53.989 56.400 -0.787 0.000 0.757 757 E CB 3.203 32.623 29.700 -0.466 0.000 1.231 757 E HN 0.191 nan 8.360 nan 0.000 0.439 758 P HA -0.047 nan 4.420 nan 0.000 0.264 758 P C -1.178 175.800 177.300 -0.538 0.000 1.183 758 P CA 0.300 62.782 63.100 -1.030 0.000 0.763 758 P CB 0.437 31.834 31.700 -0.505 0.000 0.807 759 A N 3.238 125.835 122.820 -0.372 0.000 2.328 759 A HA 0.507 5.124 4.320 0.495 0.000 0.284 759 A C 0.654 178.164 177.584 -0.123 0.000 1.160 759 A CA -0.124 51.788 52.037 -0.208 0.000 0.818 759 A CB -0.035 18.887 19.000 -0.130 0.000 1.087 759 A HN 0.572 nan 8.150 nan 0.000 0.504 760 S N 0.000 115.641 115.700 -0.099 0.000 2.498 760 S HA 0.000 4.767 4.470 0.495 0.000 0.327 760 S CA 0.000 58.165 58.200 -0.058 0.000 1.107 760 S CB 0.000 63.169 63.200 -0.052 0.000 0.593 760 S HN 0.000 nan 8.310 nan 0.000 0.517