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 3ogw_1_A DATA FIRST_RESID 1 DATA SEQUENCE SWEVGcGAPV PLVKcDENSP YRTITGDcNN RRSPALGAAN RALARWLPAE DATA SEQUENCE YEDGLALPFG WTQRKTRNGF RVPLAREVSN KIVGYLDEEG VLDQNRSLLF DATA SEQUENCE MQWGQIVDHD LDFAPETELG SNEHSKTQcE EYcIQGDNcF PIMFPKNDPK DATA SEQUENCE LKTQGKcMPF FRAGFVcPTP PYQSLAREQI NAVTSFLDAS LVYGSEPXLA DATA SEQUENCE SRLRNLSSPL GLMAVNQEAW DHGLAYLPFN NKKPSPcEFI NTTARVPcFL DATA SEQUENCE AGDFRASEQI LLATAHTLLL REHNRLAREL KKLNPHWNGE KLYQEARKIL DATA SEQUENCE GAFIQIITFR DYLPIVLGSE MQKWIPPYQG YNNSVDPRIS NVFTFAFRFG DATA SEQUENCE HMEVPSTVSR LDENYQPWGP EAELPLHTLF FNTWRIIKDG GIDPLVRGLL DATA SEQUENCE AKKSKLMNQD KMVTSELRNK LFQPTHKIHG FDLAAINLQR CRDHGMPGYN DATA SEQUENCE SWRGFcGLSQ PKTLKGLQTV LKNKILAKKL MDLYKTPDNI DIWIGGNAEP DATA SEQUENCE MVERGRVGPL LAcLLGRQFQ QIRDGDRFWW ENPGVFTEKQ RDSLQKVSFS DATA SEQUENCE RLIcDNTHIT KVPLHAFQAN NYPHDFVDcS TVDKLDLSPW ASREN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.746 174.600 0.244 0.000 1.055 1 S CA 0.000 58.191 58.200 -0.015 0.000 1.107 1 S CB 0.000 63.191 63.200 -0.016 0.000 0.593 2 W N 2.955 124.267 121.300 0.020 0.000 3.207 2 W HA 0.751 5.390 4.660 -0.035 0.000 0.340 2 W C 0.315 176.850 176.519 0.027 0.000 1.336 2 W CA -0.982 56.377 57.345 0.023 0.000 1.097 2 W CB -0.016 29.461 29.460 0.028 0.000 1.671 2 W HN 0.388 nan 8.180 nan 0.000 0.636 3 E N -0.249 120.125 120.200 0.290 0.000 2.249 3 E HA 0.704 5.034 4.350 -0.034 0.000 0.263 3 E C -1.591 175.101 176.600 0.154 0.000 0.950 3 E CA -0.832 55.668 56.400 0.167 0.000 0.827 3 E CB 2.131 31.894 29.700 0.106 0.000 1.220 3 E HN 0.038 nan 8.360 nan 0.000 0.411 4 V N 0.573 120.557 119.914 0.116 0.000 2.524 4 V HA 0.593 4.693 4.120 -0.034 0.000 0.297 4 V C 0.029 176.175 176.094 0.086 0.000 1.035 4 V CA 0.014 62.378 62.300 0.106 0.000 0.867 4 V CB 1.028 32.912 31.823 0.102 0.000 1.004 4 V HN 1.047 nan 8.190 nan 0.000 0.426 5 G N 3.006 111.856 108.800 0.084 0.000 3.030 5 G HA2 -0.140 3.799 3.960 -0.034 0.000 0.233 5 G HA3 -0.140 3.799 3.960 -0.034 0.000 0.233 5 G C -0.170 174.769 174.900 0.066 0.000 1.091 5 G CA -0.219 44.924 45.100 0.073 0.000 1.113 5 G HN 1.026 nan 8.290 nan 0.000 0.556 6 c N 0.575 119.217 118.600 0.071 0.000 2.595 6 c HA 0.938 5.488 4.570 -0.034 0.000 0.384 6 c C 1.167 175.289 174.090 0.053 0.000 1.289 6 c CA 1.425 57.796 56.329 0.070 0.000 2.372 6 c CB 0.391 42.959 42.510 0.096 0.000 2.593 6 c HN 2.378 nan 8.230 nan 0.000 0.639 7 G N 2.512 111.337 108.800 0.041 0.000 2.146 7 G HA2 0.547 4.486 3.960 -0.034 0.000 0.261 7 G HA3 0.547 4.486 3.960 -0.034 0.000 0.261 7 G C -0.472 174.436 174.900 0.012 0.000 1.745 7 G CA 0.210 45.323 45.100 0.021 0.000 0.905 7 G HN 1.492 nan 8.290 nan 0.000 0.746 8 A N 2.029 124.845 122.820 -0.005 0.000 2.382 8 A HA 0.607 4.906 4.320 -0.034 0.000 0.228 8 A C -1.544 176.029 177.584 -0.020 0.000 1.217 8 A CA 0.171 52.202 52.037 -0.009 0.000 0.923 8 A CB 0.148 19.139 19.000 -0.016 0.000 0.979 8 A HN 0.415 nan 8.150 nan 0.000 0.515 9 P HA 0.375 nan 4.420 nan 0.000 0.251 9 P C -1.091 176.202 177.300 -0.011 0.000 1.718 9 P CA 0.365 63.444 63.100 -0.034 0.000 1.119 9 P CB 0.764 32.427 31.700 -0.061 0.000 1.762 10 V N 5.498 125.412 119.914 -0.000 0.000 2.795 10 V HA 0.202 4.301 4.120 -0.034 0.000 0.272 10 V C -1.857 174.247 176.094 0.015 0.000 1.130 10 V CA -1.160 61.149 62.300 0.015 0.000 0.931 10 V CB 1.648 33.484 31.823 0.022 0.000 1.062 10 V HN 0.223 nan 8.190 nan 0.000 0.476 11 P HA 0.094 nan 4.420 nan 0.000 0.212 11 P C 0.011 177.322 177.300 0.019 0.000 1.178 11 P CA 1.333 64.443 63.100 0.017 0.000 0.915 11 P CB 0.200 31.914 31.700 0.023 0.000 0.788 12 L N -5.056 116.182 121.223 0.025 0.000 3.170 12 L HA 0.207 4.526 4.340 -0.034 0.000 0.286 12 L C -1.567 175.322 176.870 0.033 0.000 1.006 12 L CA -1.080 53.775 54.840 0.026 0.000 0.993 12 L CB 1.507 43.580 42.059 0.023 0.000 1.549 12 L HN -0.528 nan 8.230 nan 0.000 0.387 13 V N 1.619 121.554 119.914 0.035 0.000 2.293 13 V HA 0.321 4.420 4.120 -0.034 0.000 0.275 13 V C -0.401 175.715 176.094 0.037 0.000 1.021 13 V CA -0.615 61.709 62.300 0.041 0.000 0.815 13 V CB 1.106 32.956 31.823 0.045 0.000 1.025 13 V HN 0.614 nan 8.190 nan 0.000 0.448 14 K N 3.185 123.608 120.400 0.037 0.000 2.419 14 K HA 0.549 4.848 4.320 -0.034 0.000 0.244 14 K C -1.009 175.612 176.600 0.036 0.000 1.045 14 K CA -0.294 56.013 56.287 0.033 0.000 1.004 14 K CB 1.052 33.570 32.500 0.029 0.000 1.376 14 K HN 0.484 nan 8.250 nan 0.000 0.460 15 c N 2.611 121.233 118.600 0.036 0.000 2.264 15 c HA 0.239 4.788 4.570 -0.034 0.000 0.324 15 c C -0.135 173.974 174.090 0.032 0.000 1.267 15 c CA -0.623 55.730 56.329 0.040 0.000 1.618 15 c CB -0.001 42.538 42.510 0.048 0.000 2.278 15 c HN 0.761 nan 8.230 nan 0.000 0.499 16 D N 2.423 122.841 120.400 0.030 0.000 2.411 16 D HA 0.118 4.738 4.640 -0.034 0.000 0.225 16 D C 1.251 177.563 176.300 0.020 0.000 1.156 16 D CA -0.046 53.967 54.000 0.021 0.000 0.874 16 D CB 0.676 41.485 40.800 0.016 0.000 1.034 16 D HN 0.503 nan 8.370 nan 0.000 0.502 17 E N 2.697 122.905 120.200 0.013 0.000 2.209 17 E HA -0.159 4.170 4.350 -0.034 0.000 0.196 17 E C 0.755 177.347 176.600 -0.013 0.000 0.993 17 E CA 0.704 57.108 56.400 0.005 0.000 0.819 17 E CB 0.112 29.812 29.700 0.001 0.000 0.745 17 E HN 0.550 nan 8.360 nan 0.000 0.477 18 N N 0.668 119.357 118.700 -0.019 0.000 2.398 18 N HA -0.008 4.712 4.740 -0.034 0.000 0.188 18 N C 0.056 175.527 175.510 -0.065 0.000 1.122 18 N CA 0.092 53.117 53.050 -0.042 0.000 0.866 18 N CB 0.281 38.746 38.487 -0.037 0.000 0.970 18 N HN -0.103 nan 8.380 nan 0.000 0.462 19 S N 2.184 117.861 115.700 -0.038 0.000 2.537 19 S HA 0.069 4.519 4.470 -0.034 0.000 0.286 19 S C -1.214 173.322 174.600 -0.106 0.000 1.299 19 S CA -0.651 57.508 58.200 -0.070 0.000 1.067 19 S CB 1.203 64.402 63.200 -0.003 0.000 0.864 19 S HN 0.269 nan 8.310 nan 0.000 0.494 20 P HA 0.147 nan 4.420 nan 0.000 0.261 20 P C -0.792 176.237 177.300 -0.451 0.000 1.268 20 P CA 0.305 63.136 63.100 -0.448 0.000 0.833 20 P CB 0.163 31.412 31.700 -0.753 0.000 1.231 21 Y N 0.073 120.347 120.300 -0.043 0.000 2.429 21 Y HA 0.450 4.979 4.550 -0.035 0.000 0.342 21 Y C 1.193 176.724 175.900 -0.615 0.000 1.004 21 Y CA -1.463 56.457 58.100 -0.300 0.000 1.075 21 Y CB 1.484 39.806 38.460 -0.230 0.000 1.214 21 Y HN -0.375 nan 8.280 nan 0.000 0.455 22 R N 0.802 120.797 120.500 -0.842 0.000 2.679 22 R HA 0.119 4.439 4.340 -0.034 0.000 0.268 22 R C 0.322 176.420 176.300 -0.336 0.000 1.044 22 R CA -0.028 55.561 56.100 -0.851 0.000 1.105 22 R CB 0.177 30.060 30.300 -0.694 0.000 0.989 22 R HN 0.768 nan 8.270 nan 0.000 0.447 23 T N -0.933 113.496 114.554 -0.209 0.000 2.748 23 T HA 0.062 4.391 4.350 -0.034 0.000 0.304 23 T C 1.559 176.228 174.700 -0.051 0.000 1.041 23 T CA -0.752 61.303 62.100 -0.074 0.000 1.033 23 T CB 0.564 69.425 68.868 -0.011 0.000 0.995 23 T HN 0.345 nan 8.240 nan 0.000 0.536 24 I N 1.631 122.204 120.570 0.004 0.000 2.439 24 I HA -0.089 4.061 4.170 -0.034 0.000 0.251 24 I C 2.743 178.904 176.117 0.073 0.000 1.139 24 I CA 1.789 63.114 61.300 0.042 0.000 1.438 24 I CB -1.455 36.586 38.000 0.068 0.000 1.085 24 I HN 0.970 nan 8.210 nan 0.000 0.427 25 T N -2.384 112.215 114.554 0.074 0.000 3.081 25 T HA 0.198 4.527 4.350 -0.034 0.000 0.255 25 T C 1.625 176.410 174.700 0.142 0.000 1.113 25 T CA 0.715 62.873 62.100 0.098 0.000 1.082 25 T CB 0.228 69.145 68.868 0.082 0.000 0.939 25 T HN 0.442 nan 8.240 nan 0.000 0.506 26 G N 1.372 110.264 108.800 0.154 0.000 2.179 26 G HA2 -0.224 3.715 3.960 -0.034 0.000 0.260 26 G HA3 -0.224 3.715 3.960 -0.034 0.000 0.260 26 G C -0.171 174.885 174.900 0.261 0.000 0.977 26 G CA 0.074 45.340 45.100 0.277 0.000 0.641 26 G HN 0.591 nan 8.290 nan 0.000 0.533 27 D N -0.514 119.981 120.400 0.159 0.000 2.378 27 D HA 0.304 4.923 4.640 -0.034 0.000 0.238 27 D C 1.579 177.947 176.300 0.113 0.000 1.180 27 D CA 1.108 55.189 54.000 0.136 0.000 0.895 27 D CB 0.716 41.574 40.800 0.096 0.000 1.192 27 D HN 0.835 nan 8.370 nan 0.000 0.438 28 c N 0.711 119.381 118.600 0.117 0.000 4.392 28 c HA -0.160 4.389 4.570 -0.034 0.000 0.280 28 c C 1.891 176.058 174.090 0.129 0.000 1.381 28 c CA 0.032 56.426 56.329 0.108 0.000 1.871 28 c CB -2.690 39.870 42.510 0.084 0.000 1.323 28 c HN 0.752 nan 8.230 nan 0.000 0.772 29 N N 1.738 120.515 118.700 0.129 0.000 2.148 29 N HA -0.071 4.648 4.740 -0.034 0.000 0.186 29 N C 0.459 176.029 175.510 0.100 0.000 1.031 29 N CA 1.101 54.191 53.050 0.066 0.000 0.848 29 N CB -0.073 38.293 38.487 -0.202 0.000 1.005 29 N HN 0.777 nan 8.380 nan 0.000 0.427 30 N N 1.156 119.978 118.700 0.204 0.000 2.444 30 N HA 0.075 4.794 4.740 -0.034 0.000 0.271 30 N C 0.741 176.345 175.510 0.156 0.000 1.069 30 N CA -0.078 53.107 53.050 0.226 0.000 0.965 30 N CB 0.926 39.570 38.487 0.262 0.000 1.092 30 N HN 0.196 nan 8.380 nan 0.000 0.476 31 R N 2.393 122.974 120.500 0.135 0.000 2.075 31 R HA -0.039 4.280 4.340 -0.034 0.000 0.226 31 R C 2.010 178.359 176.300 0.082 0.000 1.114 31 R CA 0.832 56.987 56.100 0.092 0.000 0.972 31 R CB -0.023 30.320 30.300 0.072 0.000 0.869 31 R HN 0.593 nan 8.270 nan 0.000 0.437 32 R N 0.263 120.814 120.500 0.086 0.000 2.092 32 R HA -0.021 4.298 4.340 -0.034 0.000 0.231 32 R C 0.268 176.614 176.300 0.078 0.000 1.119 32 R CA 1.380 57.522 56.100 0.070 0.000 0.970 32 R CB 0.056 30.392 30.300 0.060 0.000 0.864 32 R HN -0.042 nan 8.270 nan 0.000 0.440 33 S N 0.437 116.197 115.700 0.100 0.000 2.259 33 S HA 0.347 4.796 4.470 -0.034 0.000 0.181 33 S C -2.201 172.473 174.600 0.123 0.000 1.589 33 S CA -1.690 56.573 58.200 0.104 0.000 1.234 33 S CB 1.662 64.926 63.200 0.107 0.000 1.119 33 S HN 0.113 nan 8.310 nan 0.000 0.458 34 P HA -0.002 nan 4.420 nan 0.000 0.218 34 P C 1.076 178.457 177.300 0.134 0.000 1.148 34 P CA 0.843 64.013 63.100 0.117 0.000 0.822 34 P CB 0.120 31.874 31.700 0.090 0.000 0.784 35 A N -0.953 121.938 122.820 0.119 0.000 2.238 35 A HA 0.049 4.348 4.320 -0.034 0.000 0.208 35 A C 1.053 178.720 177.584 0.139 0.000 1.177 35 A CA -0.031 52.078 52.037 0.119 0.000 0.804 35 A CB -1.106 17.948 19.000 0.090 0.000 0.823 35 A HN 0.124 nan 8.150 nan 0.000 0.482 36 L N 0.340 121.660 121.223 0.162 0.000 2.597 36 L HA 0.242 4.561 4.340 -0.034 0.000 0.271 36 L C 1.511 178.502 176.870 0.201 0.000 1.157 36 L CA 0.966 55.907 54.840 0.168 0.000 0.928 36 L CB 0.045 42.216 42.059 0.187 0.000 1.216 36 L HN 0.588 nan 8.230 nan 0.000 0.481 37 G N 2.499 111.332 108.800 0.055 0.000 2.176 37 G HA2 -0.268 3.672 3.960 -0.034 0.000 0.253 37 G HA3 -0.268 3.672 3.960 -0.034 0.000 0.253 37 G C 0.490 175.391 174.900 0.003 0.000 0.979 37 G CA 0.019 45.016 45.100 -0.172 0.000 0.641 37 G HN 0.907 nan 8.290 nan 0.000 0.530 38 A N 0.217 123.126 122.820 0.148 0.000 2.448 38 A HA 0.777 5.076 4.320 -0.034 0.000 0.239 38 A C 1.103 178.739 177.584 0.088 0.000 1.080 38 A CA 1.147 53.276 52.037 0.153 0.000 0.779 38 A CB 0.286 19.368 19.000 0.137 0.000 1.026 38 A HN 2.110 nan 8.150 nan 0.000 0.499 39 A N 1.072 123.949 122.820 0.095 0.000 2.332 39 A HA 0.506 4.805 4.320 -0.034 0.000 0.258 39 A C 0.791 178.404 177.584 0.048 0.000 1.087 39 A CA 0.023 52.104 52.037 0.073 0.000 0.802 39 A CB -0.151 18.904 19.000 0.092 0.000 1.042 39 A HN 1.272 nan 8.150 nan 0.000 0.489 40 N N -0.521 118.195 118.700 0.026 0.000 2.776 40 N HA -0.117 4.603 4.740 -0.034 0.000 0.249 40 N C -0.416 175.090 175.510 -0.006 0.000 1.111 40 N CA 1.128 54.176 53.050 -0.003 0.000 0.711 40 N CB -0.707 37.778 38.487 -0.003 0.000 1.065 40 N HN 0.695 nan 8.380 nan 0.000 0.556 41 R N -0.234 120.269 120.500 0.004 0.000 2.919 41 R HA 0.744 5.064 4.340 -0.034 0.000 0.260 41 R C 0.100 176.404 176.300 0.005 0.000 1.067 41 R CA -0.439 55.667 56.100 0.011 0.000 1.003 41 R CB 0.871 31.190 30.300 0.031 0.000 1.192 41 R HN 0.116 nan 8.270 nan 0.000 0.488 42 A N 1.416 124.245 122.820 0.016 0.000 2.445 42 A HA 0.279 4.579 4.320 -0.034 0.000 0.242 42 A C 0.359 177.957 177.584 0.024 0.000 1.075 42 A CA -0.314 51.735 52.037 0.020 0.000 0.777 42 A CB -0.001 19.023 19.000 0.040 0.000 1.013 42 A HN 0.569 nan 8.150 nan 0.000 0.493 43 L N 1.376 122.612 121.223 0.021 0.000 2.514 43 L HA 0.202 4.521 4.340 -0.034 0.000 0.280 43 L C 1.192 178.077 176.870 0.025 0.000 1.223 43 L CA -0.033 54.816 54.840 0.015 0.000 0.864 43 L CB 0.302 42.380 42.059 0.031 0.000 1.118 43 L HN 0.844 nan 8.230 nan 0.000 0.494 44 A N 4.690 127.509 122.820 -0.002 0.000 2.445 44 A HA 0.322 4.621 4.320 -0.034 0.000 0.242 44 A C 0.015 177.625 177.584 0.043 0.000 1.075 44 A CA -0.296 51.771 52.037 0.050 0.000 0.777 44 A CB 0.197 19.245 19.000 0.080 0.000 1.013 44 A HN 0.619 nan 8.150 nan 0.000 0.493 45 R N 1.961 122.555 120.500 0.157 0.000 2.239 45 R HA 0.110 4.429 4.340 -0.034 0.000 0.332 45 R C -0.210 176.310 176.300 0.366 0.000 0.988 45 R CA -0.393 55.826 56.100 0.199 0.000 0.859 45 R CB 0.578 30.987 30.300 0.182 0.000 1.148 45 R HN 0.959 nan 8.270 nan 0.000 0.482 46 W N 2.071 123.467 121.300 0.159 0.000 2.467 46 W HA 0.075 4.713 4.660 -0.036 0.000 0.275 46 W C 0.512 177.094 176.519 0.106 0.000 1.239 46 W CA 0.386 57.821 57.345 0.151 0.000 1.266 46 W CB -0.029 29.467 29.460 0.061 0.000 1.112 46 W HN 0.263 nan 8.180 nan 0.000 0.576 47 L N -0.481 120.909 121.223 0.278 0.000 2.393 47 L HA 0.352 4.671 4.340 -0.034 0.000 0.260 47 L C -2.159 174.764 176.870 0.088 0.000 1.002 47 L CA -2.193 52.686 54.840 0.064 0.000 0.818 47 L CB 1.999 43.877 42.059 -0.302 0.000 1.369 47 L HN -0.517 nan 8.230 nan 0.000 0.412 48 P HA 0.069 nan 4.420 nan 0.000 0.266 48 P C -0.703 176.613 177.300 0.026 0.000 1.195 48 P CA -0.149 62.989 63.100 0.064 0.000 0.768 48 P CB 0.574 32.311 31.700 0.062 0.000 0.838 49 A N 2.813 125.645 122.820 0.019 0.000 2.425 49 A HA 0.151 4.450 4.320 -0.034 0.000 0.242 49 A C 0.085 177.589 177.584 -0.134 0.000 1.077 49 A CA -0.071 51.906 52.037 -0.099 0.000 0.781 49 A CB -0.038 18.883 19.000 -0.133 0.000 1.020 49 A HN 0.560 nan 8.150 nan 0.000 0.494 50 E N 0.871 120.946 120.200 -0.208 0.000 2.207 50 E HA 0.412 4.741 4.350 -0.034 0.000 0.250 50 E C -1.752 174.835 176.600 -0.020 0.000 0.890 50 E CA 0.091 56.501 56.400 0.016 0.000 0.749 50 E CB 1.164 30.950 29.700 0.142 0.000 1.193 50 E HN 0.660 nan 8.360 nan 0.000 0.423 51 Y N 0.635 120.970 120.300 0.058 0.000 2.509 51 Y HA 0.105 4.634 4.550 -0.034 0.000 0.341 51 Y C 1.636 177.138 175.900 -0.662 0.000 1.038 51 Y CA -0.752 57.193 58.100 -0.258 0.000 1.089 51 Y CB 1.726 40.055 38.460 -0.219 0.000 1.241 51 Y HN 0.508 nan 8.280 nan 0.000 0.468 52 E N 1.036 120.675 120.200 -0.934 0.000 2.160 52 E HA -0.240 4.090 4.350 -0.034 0.000 0.195 52 E C 0.437 176.819 176.600 -0.363 0.000 0.991 52 E CA 1.831 57.646 56.400 -0.976 0.000 0.810 52 E CB 0.040 29.335 29.700 -0.674 0.000 0.742 52 E HN 0.847 nan 8.360 nan 0.000 0.466 53 D N -1.396 118.842 120.400 -0.269 0.000 2.463 53 D HA 0.105 4.725 4.640 -0.034 0.000 0.224 53 D C 1.125 177.349 176.300 -0.127 0.000 1.174 53 D CA 0.459 54.352 54.000 -0.180 0.000 0.829 53 D CB 0.150 40.820 40.800 -0.218 0.000 0.993 53 D HN 0.312 nan 8.370 nan 0.000 0.497 54 G N 0.342 109.101 108.800 -0.068 0.000 2.205 54 G HA2 -0.354 3.586 3.960 -0.034 0.000 0.269 54 G HA3 -0.354 3.586 3.960 -0.034 0.000 0.269 54 G C 0.688 175.595 174.900 0.010 0.000 0.977 54 G CA 1.100 46.202 45.100 0.002 0.000 0.652 54 G HN 0.476 nan 8.290 nan 0.000 0.539 55 L N -2.618 118.554 121.223 -0.084 0.000 2.775 55 L HA 0.636 4.955 4.340 -0.034 0.000 0.175 55 L C 2.344 178.891 176.870 -0.539 0.000 1.110 55 L CA 1.074 55.785 54.840 -0.214 0.000 0.862 55 L CB -0.018 41.871 42.059 -0.283 0.000 1.381 55 L HN 0.377 nan 8.230 nan 0.000 0.499 56 A N -1.161 121.182 122.820 -0.796 0.000 2.377 56 A HA 0.390 4.690 4.320 -0.034 0.000 0.174 56 A C 0.252 177.176 177.584 -1.099 0.000 1.663 56 A CA -0.305 50.985 52.037 -1.246 0.000 1.219 56 A CB 0.317 18.861 19.000 -0.761 0.000 1.499 56 A HN 0.081 nan 8.150 nan 0.000 0.481 57 L N 2.590 123.363 121.223 -0.751 0.000 2.326 57 L HA 0.367 4.686 4.340 -0.034 0.000 0.278 57 L C -2.331 174.301 176.870 -0.397 0.000 1.092 57 L CA -2.078 52.306 54.840 -0.761 0.000 0.810 57 L CB 0.986 42.546 42.059 -0.832 0.000 1.153 57 L HN 0.099 nan 8.230 nan 0.000 0.439 58 P HA 0.082 nan 4.420 nan 0.000 0.274 58 P C -0.625 176.677 177.300 0.003 0.000 1.231 58 P CA -0.343 62.742 63.100 -0.026 0.000 0.790 58 P CB 0.446 32.083 31.700 -0.104 0.000 0.951 59 F N 0.923 120.981 119.950 0.179 0.000 2.608 59 F HA 0.267 4.773 4.527 -0.034 0.000 0.380 59 F C 1.998 177.956 175.800 0.262 0.000 1.083 59 F CA 2.253 60.367 58.000 0.191 0.000 1.266 59 F CB -0.398 38.699 39.000 0.160 0.000 1.076 59 F HN 0.709 nan 8.300 nan 0.000 0.574 60 G N 2.695 111.738 108.800 0.406 0.000 2.213 60 G HA2 -0.287 3.653 3.960 -0.034 0.000 0.226 60 G HA3 -0.287 3.653 3.960 -0.034 0.000 0.226 60 G C 1.069 176.185 174.900 0.360 0.000 0.992 60 G CA 0.121 45.437 45.100 0.360 0.000 0.632 60 G HN 0.760 nan 8.290 nan 0.000 0.511 61 W N 1.815 123.170 121.300 0.091 0.000 2.353 61 W HA 0.060 4.699 4.660 -0.035 0.000 0.319 61 W C 0.192 176.725 176.519 0.022 0.000 1.207 61 W CA 2.012 59.349 57.345 -0.014 0.000 1.291 61 W CB -0.250 29.083 29.460 -0.212 0.000 1.159 61 W HN 0.211 nan 8.180 nan 0.000 0.478 62 T N 1.416 116.102 114.554 0.219 0.000 2.749 62 T HA 0.071 4.400 4.350 -0.034 0.000 0.287 62 T C 0.829 175.576 174.700 0.079 0.000 0.970 62 T CA -0.337 61.828 62.100 0.108 0.000 0.980 62 T CB 1.906 70.868 68.868 0.156 0.000 0.924 62 T HN 0.144 nan 8.240 nan 0.000 0.456 63 Q N 3.432 123.248 119.800 0.027 0.000 2.112 63 Q HA -0.216 4.103 4.340 -0.034 0.000 0.206 63 Q C 2.023 178.055 176.000 0.054 0.000 0.987 63 Q CA 1.666 57.490 55.803 0.035 0.000 0.858 63 Q CB -0.001 28.738 28.738 0.002 0.000 0.905 63 Q HN 0.697 nan 8.270 nan 0.000 0.420 64 R N -0.202 120.327 120.500 0.047 0.000 2.323 64 R HA 0.096 4.415 4.340 -0.034 0.000 0.198 64 R C -0.276 176.062 176.300 0.064 0.000 0.988 64 R CA 0.290 56.419 56.100 0.048 0.000 1.041 64 R CB 0.231 30.551 30.300 0.033 0.000 0.926 64 R HN -0.123 nan 8.270 nan 0.000 0.476 65 K N 2.253 122.708 120.400 0.092 0.000 2.293 65 K HA 0.146 4.445 4.320 -0.034 0.000 0.267 65 K C -0.250 176.453 176.600 0.173 0.000 1.010 65 K CA -0.290 56.067 56.287 0.116 0.000 0.875 65 K CB 1.883 34.448 32.500 0.107 0.000 1.106 65 K HN 0.242 nan 8.250 nan 0.000 0.450 66 T N 0.023 114.670 114.554 0.155 0.000 2.788 66 T HA 0.353 4.682 4.350 -0.034 0.000 0.280 66 T C 0.214 175.067 174.700 0.255 0.000 0.984 66 T CA -0.777 61.424 62.100 0.168 0.000 0.972 66 T CB 1.468 70.376 68.868 0.066 0.000 1.039 66 T HN 0.528 nan 8.240 nan 0.000 0.530 67 R N 0.994 121.602 120.500 0.180 0.000 2.360 67 R HA 0.278 4.597 4.340 -0.034 0.000 0.318 67 R C -0.265 176.055 176.300 0.033 0.000 0.950 67 R CA -0.456 55.652 56.100 0.013 0.000 0.837 67 R CB 0.060 30.192 30.300 -0.280 0.000 1.165 67 R HN 0.842 nan 8.270 nan 0.000 0.458 68 N N 3.117 121.826 118.700 0.015 0.000 2.693 68 N HA -0.220 4.500 4.740 -0.034 0.000 0.249 68 N C 0.479 175.943 175.510 -0.076 0.000 1.119 68 N CA 1.673 54.733 53.050 0.016 0.000 0.717 68 N CB -0.911 37.617 38.487 0.067 0.000 1.071 68 N HN 1.090 nan 8.380 nan 0.000 0.555 69 G N -2.019 106.701 108.800 -0.133 0.000 2.175 69 G HA2 -0.292 3.648 3.960 -0.034 0.000 0.244 69 G HA3 -0.292 3.648 3.960 -0.034 0.000 0.244 69 G C -0.137 174.411 174.900 -0.587 0.000 0.982 69 G CA 0.294 45.171 45.100 -0.371 0.000 0.641 69 G HN 0.396 nan 8.290 nan 0.000 0.527 70 F N 0.404 120.385 119.950 0.050 0.000 2.551 70 F HA 0.648 5.154 4.527 -0.034 0.000 0.316 70 F C 0.894 176.732 175.800 0.062 0.000 1.089 70 F CA -1.270 56.760 58.000 0.050 0.000 0.915 70 F CB 1.360 40.389 39.000 0.049 0.000 1.186 70 F HN -0.088 nan 8.300 nan 0.000 0.456 71 R N 1.459 122.110 120.500 0.251 0.000 2.570 71 R HA 0.327 4.646 4.340 -0.034 0.000 0.277 71 R C -0.595 175.797 176.300 0.154 0.000 1.039 71 R CA -0.504 55.699 56.100 0.170 0.000 1.065 71 R CB 0.435 30.805 30.300 0.117 0.000 0.964 71 R HN 0.517 nan 8.270 nan 0.000 0.428 72 V N 1.358 121.361 119.914 0.149 0.000 2.614 72 V HA 0.310 4.409 4.120 -0.034 0.000 0.291 72 V C -1.678 174.416 176.094 0.000 0.000 1.049 72 V CA -1.954 60.410 62.300 0.108 0.000 1.038 72 V CB 0.507 32.441 31.823 0.185 0.000 0.980 72 V HN 0.683 nan 8.190 nan 0.000 0.481 73 P HA 0.258 nan 4.420 nan 0.000 0.272 73 P C -0.111 177.115 177.300 -0.124 0.000 1.223 73 P CA -0.486 62.491 63.100 -0.204 0.000 0.784 73 P CB 0.719 32.154 31.700 -0.442 0.000 0.923 74 L N 1.328 122.496 121.223 -0.091 0.000 2.514 74 L HA -0.015 4.305 4.340 -0.034 0.000 0.280 74 L C 1.983 178.807 176.870 -0.077 0.000 1.223 74 L CA -0.149 54.644 54.840 -0.079 0.000 0.864 74 L CB 0.138 42.159 42.059 -0.063 0.000 1.118 74 L HN 0.493 nan 8.230 nan 0.000 0.494 75 A N 3.353 126.123 122.820 -0.083 0.000 1.902 75 A HA -0.205 4.094 4.320 -0.034 0.000 0.217 75 A C 2.269 179.852 177.584 -0.002 0.000 1.181 75 A CA 1.680 53.692 52.037 -0.042 0.000 0.623 75 A CB -0.344 18.591 19.000 -0.109 0.000 0.818 75 A HN 0.850 nan 8.150 nan 0.000 0.443 76 R N 0.294 120.786 120.500 -0.012 0.000 2.115 76 R HA -0.083 4.236 4.340 -0.034 0.000 0.230 76 R C 1.943 178.273 176.300 0.050 0.000 1.111 76 R CA 1.937 58.068 56.100 0.053 0.000 0.976 76 R CB -0.556 29.820 30.300 0.126 0.000 0.870 76 R HN 0.686 nan 8.270 nan 0.000 0.445 77 E N -0.585 119.625 120.200 0.017 0.000 2.051 77 E HA -0.135 4.194 4.350 -0.034 0.000 0.192 77 E C 1.701 178.302 176.600 0.001 0.000 0.991 77 E CA 1.589 57.989 56.400 0.000 0.000 0.799 77 E CB 0.043 29.725 29.700 -0.030 0.000 0.748 77 E HN 0.184 nan 8.360 nan 0.000 0.449 78 V N 0.665 120.575 119.914 -0.007 0.000 2.287 78 V HA -0.293 3.806 4.120 -0.034 0.000 0.248 78 V C 2.483 178.638 176.094 0.102 0.000 1.053 78 V CA 1.950 64.272 62.300 0.037 0.000 1.027 78 V CB -0.849 31.019 31.823 0.075 0.000 0.646 78 V HN 0.333 nan 8.190 nan 0.000 0.447 79 S N 0.442 116.211 115.700 0.116 0.000 2.353 79 S HA -0.250 4.200 4.470 -0.034 0.000 0.222 79 S C 1.936 176.601 174.600 0.109 0.000 1.035 79 S CA 2.099 60.385 58.200 0.144 0.000 1.025 79 S CB -0.484 62.792 63.200 0.127 0.000 0.902 79 S HN 0.672 nan 8.310 nan 0.000 0.440 80 N N 1.004 119.745 118.700 0.069 0.000 2.166 80 N HA -0.016 4.704 4.740 -0.034 0.000 0.186 80 N C 1.730 177.270 175.510 0.050 0.000 1.019 80 N CA 1.094 54.172 53.050 0.046 0.000 0.856 80 N CB -0.298 38.200 38.487 0.018 0.000 0.993 80 N HN 0.498 nan 8.380 nan 0.000 0.426 81 K N -0.150 120.278 120.400 0.047 0.000 2.186 81 K HA 0.204 4.504 4.320 -0.034 0.000 0.202 81 K C 1.605 178.239 176.600 0.057 0.000 1.052 81 K CA 0.612 56.923 56.287 0.040 0.000 0.965 81 K CB 0.362 32.873 32.500 0.020 0.000 0.746 81 K HN 0.121 nan 8.250 nan 0.000 0.457 82 I N -0.895 119.722 120.570 0.078 0.000 4.124 82 I HA -0.072 4.078 4.170 -0.034 0.000 0.311 82 I C 1.367 177.548 176.117 0.107 0.000 1.259 82 I CA 0.228 61.577 61.300 0.082 0.000 1.315 82 I CB 0.896 38.946 38.000 0.082 0.000 1.223 82 I HN -0.178 nan 8.210 nan 0.000 0.441 83 V N 0.766 120.769 119.914 0.147 0.000 3.174 83 V HA 0.218 4.318 4.120 -0.034 0.000 0.254 83 V C 1.245 177.486 176.094 0.244 0.000 1.120 83 V CA 0.573 62.992 62.300 0.199 0.000 1.114 83 V CB -0.377 31.614 31.823 0.281 0.000 0.756 83 V HN 0.358 nan 8.190 nan 0.000 0.467 84 G N -0.367 108.553 108.800 0.199 0.000 2.477 84 G HA2 0.572 4.511 3.960 -0.034 0.000 0.304 84 G HA3 0.572 4.511 3.960 -0.034 0.000 0.304 84 G C -1.054 174.007 174.900 0.268 0.000 1.175 84 G CA -0.242 44.970 45.100 0.187 0.000 0.907 84 G HN 0.452 nan 8.290 nan 0.000 0.509 85 Y N -1.932 118.404 120.300 0.059 0.000 2.702 85 Y HA 0.524 5.054 4.550 -0.033 0.000 0.336 85 Y C -0.441 175.487 175.900 0.047 0.000 1.203 85 Y CA -1.214 56.916 58.100 0.049 0.000 1.072 85 Y CB 0.782 39.274 38.460 0.053 0.000 1.327 85 Y HN 0.302 nan 8.280 nan 0.000 0.456 86 L N 0.005 121.280 121.223 0.087 0.000 2.445 86 L HA 0.225 4.544 4.340 -0.034 0.000 0.207 86 L C -0.109 176.803 176.870 0.069 0.000 1.053 86 L CA 0.302 55.139 54.840 -0.006 0.000 0.841 86 L CB 0.240 42.321 42.059 0.036 0.000 1.074 86 L HN 0.658 nan 8.230 nan 0.000 0.479 87 D N 1.027 121.566 120.400 0.231 0.000 2.339 87 D HA 0.041 4.660 4.640 -0.034 0.000 0.241 87 D C 0.784 177.267 176.300 0.305 0.000 1.183 87 D CA 0.090 54.211 54.000 0.203 0.000 0.859 87 D CB 1.027 41.915 40.800 0.147 0.000 1.067 87 D HN 0.026 nan 8.370 nan 0.000 0.484 88 E N 2.349 122.690 120.200 0.234 0.000 2.502 88 E HA -0.026 4.304 4.350 -0.034 0.000 0.194 88 E C -0.039 176.656 176.600 0.158 0.000 1.062 88 E CA 0.261 56.815 56.400 0.257 0.000 0.867 88 E CB 0.280 30.090 29.700 0.184 0.000 0.888 88 E HN 0.566 nan 8.360 nan 0.000 0.510 89 E N 0.420 120.691 120.200 0.118 0.000 2.344 89 E HA 0.174 4.504 4.350 -0.034 0.000 0.270 89 E C 0.996 177.635 176.600 0.065 0.000 1.021 89 E CA 0.317 56.765 56.400 0.080 0.000 0.887 89 E CB 0.827 30.565 29.700 0.063 0.000 0.997 89 E HN 0.276 nan 8.360 nan 0.000 0.429 90 G N 1.883 110.714 108.800 0.052 0.000 2.148 90 G HA2 -0.334 3.605 3.960 -0.034 0.000 0.254 90 G HA3 -0.334 3.605 3.960 -0.034 0.000 0.254 90 G C 0.793 175.707 174.900 0.022 0.000 0.981 90 G CA 0.493 45.612 45.100 0.033 0.000 0.670 90 G HN 0.547 nan 8.290 nan 0.000 0.528 91 V N -1.763 118.173 119.914 0.038 0.000 3.608 91 V HA 0.553 4.653 4.120 -0.034 0.000 0.269 91 V C 1.357 177.479 176.094 0.046 0.000 1.245 91 V CA 0.422 62.734 62.300 0.019 0.000 1.138 91 V CB -0.136 31.709 31.823 0.037 0.000 0.841 91 V HN 0.375 nan 8.190 nan 0.000 0.451 92 L N 1.564 122.822 121.223 0.059 0.000 2.395 92 L HA 0.405 4.724 4.340 -0.034 0.000 0.269 92 L C 0.268 177.173 176.870 0.058 0.000 1.133 92 L CA -0.177 54.706 54.840 0.072 0.000 0.812 92 L CB 0.543 42.647 42.059 0.076 0.000 1.125 92 L HN 0.129 nan 8.230 nan 0.000 0.452 93 D N 1.990 122.434 120.400 0.072 0.000 2.339 93 D HA -0.008 4.612 4.640 -0.034 0.000 0.256 93 D C 0.610 176.930 176.300 0.032 0.000 1.214 93 D CA -0.043 53.988 54.000 0.052 0.000 0.877 93 D CB 1.272 42.118 40.800 0.076 0.000 1.111 93 D HN 0.399 nan 8.370 nan 0.000 0.478 94 Q N 2.533 122.340 119.800 0.012 0.000 2.435 94 Q HA -0.053 4.266 4.340 -0.034 0.000 0.207 94 Q C 0.545 176.539 176.000 -0.009 0.000 0.956 94 Q CA 0.576 56.383 55.803 0.006 0.000 0.917 94 Q CB 0.161 28.899 28.738 -0.000 0.000 0.997 94 Q HN 0.384 nan 8.270 nan 0.000 0.497 95 N N 0.345 119.026 118.700 -0.031 0.000 2.299 95 N HA 0.060 4.779 4.740 -0.034 0.000 0.246 95 N C -1.078 174.374 175.510 -0.098 0.000 1.254 95 N CA 0.002 53.018 53.050 -0.058 0.000 0.879 95 N CB 0.582 39.024 38.487 -0.076 0.000 1.214 95 N HN -0.134 nan 8.380 nan 0.000 0.510 96 R N 0.426 120.884 120.500 -0.069 0.000 2.538 96 R HA 0.327 4.646 4.340 -0.034 0.000 0.292 96 R C -0.205 176.142 176.300 0.077 0.000 1.008 96 R CA -0.502 55.553 56.100 -0.076 0.000 0.896 96 R CB 1.176 31.329 30.300 -0.244 0.000 1.187 96 R HN 0.208 nan 8.270 nan 0.000 0.440 97 S N 1.405 117.172 115.700 0.111 0.000 2.596 97 S HA 0.052 4.501 4.470 -0.034 0.000 0.260 97 S C 1.322 176.038 174.600 0.193 0.000 1.336 97 S CA -0.636 57.637 58.200 0.123 0.000 0.993 97 S CB 0.728 63.962 63.200 0.056 0.000 0.923 97 S HN 0.534 nan 8.310 nan 0.000 0.567 98 L N 0.868 122.177 121.223 0.144 0.000 2.127 98 L HA 0.001 4.320 4.340 -0.034 0.000 0.211 98 L C 2.107 179.056 176.870 0.131 0.000 1.089 98 L CA 1.547 56.473 54.840 0.143 0.000 0.757 98 L CB -1.309 40.809 42.059 0.099 0.000 0.899 98 L HN 0.869 nan 8.230 nan 0.000 0.434 99 L N -1.677 119.577 121.223 0.052 0.000 2.191 99 L HA -0.189 4.131 4.340 -0.034 0.000 0.212 99 L C 2.267 179.258 176.870 0.201 0.000 1.103 99 L CA 1.536 56.339 54.840 -0.062 0.000 0.769 99 L CB -0.770 41.038 42.059 -0.418 0.000 0.908 99 L HN 0.306 nan 8.230 nan 0.000 0.438 100 F N -0.267 119.845 119.950 0.270 0.000 2.102 100 F HA -0.252 4.262 4.527 -0.023 0.000 0.298 100 F C 2.395 178.487 175.800 0.487 0.000 1.105 100 F CA 2.177 60.543 58.000 0.611 0.000 1.239 100 F CB -0.425 38.860 39.000 0.474 0.000 0.991 100 F HN 0.196 nan 8.300 nan 0.000 0.474 101 M N 0.501 120.246 119.600 0.241 0.000 2.082 101 M HA -0.299 4.161 4.480 -0.034 0.000 0.258 101 M C 2.297 178.588 176.300 -0.015 0.000 1.071 101 M CA 2.260 57.586 55.300 0.043 0.000 1.103 101 M CB -1.122 31.551 32.600 0.122 0.000 1.307 101 M HN 0.360 nan 8.290 nan 0.000 0.409 102 Q N -0.146 119.681 119.800 0.045 0.000 2.096 102 Q HA -0.228 4.092 4.340 -0.034 0.000 0.204 102 Q C 1.870 177.853 176.000 -0.029 0.000 0.982 102 Q CA 2.388 58.185 55.803 -0.010 0.000 0.850 102 Q CB -0.900 27.847 28.738 0.015 0.000 0.901 102 Q HN 0.734 nan 8.270 nan 0.000 0.422 103 W N -0.046 121.177 121.300 -0.129 0.000 2.381 103 W HA -0.092 4.549 4.660 -0.031 0.000 0.301 103 W C 1.703 177.954 176.519 -0.448 0.000 1.205 103 W CA 1.427 58.657 57.345 -0.191 0.000 1.285 103 W CB -0.509 28.967 29.460 0.026 0.000 1.133 103 W HN 0.325 nan 8.180 nan 0.000 0.521 104 G N 0.597 109.131 108.800 -0.443 0.000 2.513 104 G HA2 -0.412 3.528 3.960 -0.034 0.000 0.219 104 G HA3 -0.412 3.528 3.960 -0.034 0.000 0.219 104 G C 1.424 175.891 174.900 -0.721 0.000 1.160 104 G CA 1.371 46.152 45.100 -0.532 0.000 0.767 104 G HN 0.430 nan 8.290 nan 0.000 0.571 105 Q N -0.498 118.937 119.800 -0.608 0.000 2.119 105 Q HA -0.064 4.255 4.340 -0.034 0.000 0.201 105 Q C 2.607 178.128 176.000 -0.800 0.000 0.972 105 Q CA 0.781 56.166 55.803 -0.698 0.000 0.847 105 Q CB -0.132 28.293 28.738 -0.522 0.000 0.903 105 Q HN 0.416 nan 8.270 nan 0.000 0.433 106 I N 0.217 120.376 120.570 -0.685 0.000 2.127 106 I HA -0.251 3.898 4.170 -0.034 0.000 0.241 106 I C 2.331 178.089 176.117 -0.599 0.000 1.075 106 I CA 1.082 61.974 61.300 -0.679 0.000 1.334 106 I CB -0.990 36.543 38.000 -0.778 0.000 1.040 106 I HN 0.149 nan 8.210 nan 0.000 0.405 107 V N 0.916 120.424 119.914 -0.676 0.000 2.427 107 V HA -0.271 3.828 4.120 -0.034 0.000 0.248 107 V C 2.430 178.531 176.094 0.013 0.000 1.051 107 V CA 1.984 64.120 62.300 -0.273 0.000 1.048 107 V CB -0.652 31.120 31.823 -0.086 0.000 0.666 107 V HN 0.464 nan 8.190 nan 0.000 0.456 108 D N -0.519 119.720 120.400 -0.268 0.000 2.104 108 D HA -0.239 4.381 4.640 -0.034 0.000 0.194 108 D C 1.970 178.278 176.300 0.014 0.000 0.994 108 D CA 1.925 55.773 54.000 -0.253 0.000 0.830 108 D CB -0.135 40.139 40.800 -0.875 0.000 0.959 108 D HN 0.666 nan 8.370 nan 0.000 0.452 109 H N -0.158 118.797 119.070 -0.191 0.000 2.319 109 H HA -0.124 4.412 4.556 -0.033 0.000 0.299 109 H C 1.985 177.288 175.328 -0.041 0.000 1.092 109 H CA 0.964 56.931 56.048 -0.135 0.000 1.302 109 H CB 0.061 29.729 29.762 -0.157 0.000 1.373 109 H HN 0.193 nan 8.280 nan 0.000 0.497 110 D N 0.857 121.315 120.400 0.097 0.000 2.172 110 D HA -0.158 4.461 4.640 -0.034 0.000 0.196 110 D C 1.970 178.358 176.300 0.147 0.000 0.999 110 D CA 1.120 55.183 54.000 0.104 0.000 0.856 110 D CB 0.099 40.949 40.800 0.083 0.000 0.934 110 D HN 0.369 nan 8.370 nan 0.000 0.453 111 L N -0.323 121.005 121.223 0.174 0.000 2.357 111 L HA 0.136 4.456 4.340 -0.034 0.000 0.211 111 L C 0.378 177.337 176.870 0.148 0.000 1.075 111 L CA 0.337 55.279 54.840 0.169 0.000 0.830 111 L CB 0.153 42.355 42.059 0.238 0.000 0.996 111 L HN -0.011 nan 8.230 nan 0.000 0.467 112 D N -1.402 119.099 120.400 0.169 0.000 2.837 112 D HA 0.306 4.926 4.640 -0.034 0.000 0.220 112 D C -1.533 174.892 176.300 0.208 0.000 1.236 112 D CA -0.351 53.746 54.000 0.161 0.000 0.838 112 D CB 2.945 43.834 40.800 0.147 0.000 1.647 112 D HN -0.256 nan 8.370 nan 0.000 0.486 113 F N 1.132 121.086 119.950 0.006 0.000 2.787 113 F HA 0.546 5.053 4.527 -0.034 0.000 0.340 113 F C -1.565 174.235 175.800 0.001 0.000 1.232 113 F CA -1.202 56.788 58.000 -0.015 0.000 1.051 113 F CB 1.800 40.788 39.000 -0.020 0.000 1.330 113 F HN 0.587 nan 8.300 nan 0.000 0.522 114 A N 7.655 130.537 122.820 0.103 0.000 2.690 114 A HA 0.685 4.984 4.320 -0.034 0.000 0.342 114 A C -2.658 174.769 177.584 -0.261 0.000 1.410 114 A CA -1.470 50.523 52.037 -0.073 0.000 0.958 114 A CB -0.541 18.555 19.000 0.159 0.000 1.153 114 A HN 0.421 nan 8.150 nan 0.000 0.497 115 P HA 0.129 nan 4.420 nan 0.000 0.268 115 P C 0.007 177.147 177.300 -0.266 0.000 1.205 115 P CA 0.065 62.786 63.100 -0.630 0.000 0.771 115 P CB 0.524 31.777 31.700 -0.746 0.000 0.858 116 E N 0.576 120.671 120.200 -0.174 0.000 2.437 116 E HA 0.070 4.400 4.350 -0.034 0.000 0.263 116 E C 0.422 176.937 176.600 -0.142 0.000 1.030 116 E CA 0.094 56.426 56.400 -0.113 0.000 0.934 116 E CB 0.170 29.809 29.700 -0.101 0.000 0.943 116 E HN 0.494 nan 8.360 nan 0.000 0.444 117 T N 0.693 115.201 114.554 -0.076 0.000 2.795 117 T HA 0.105 4.435 4.350 -0.034 0.000 0.314 117 T C 0.038 174.654 174.700 -0.141 0.000 1.069 117 T CA -0.415 61.624 62.100 -0.102 0.000 1.071 117 T CB 0.454 69.320 68.868 -0.004 0.000 0.988 117 T HN 0.422 nan 8.240 nan 0.000 0.543 118 E N 0.417 120.526 120.200 -0.151 0.000 2.432 118 E HA 0.366 4.695 4.350 -0.034 0.000 0.272 118 E C -0.727 175.805 176.600 -0.113 0.000 0.937 118 E CA -0.412 55.899 56.400 -0.148 0.000 0.812 118 E CB 1.406 31.000 29.700 -0.177 0.000 1.377 118 E HN 0.447 nan 8.360 nan 0.000 0.399 119 L N 1.905 123.088 121.223 -0.068 0.000 3.122 119 L HA 0.509 4.829 4.340 -0.034 0.000 0.274 119 L C -0.256 176.596 176.870 -0.030 0.000 1.222 119 L CA 0.170 54.982 54.840 -0.046 0.000 1.028 119 L CB 1.201 43.250 42.059 -0.016 0.000 1.386 119 L HN 0.482 nan 8.230 nan 0.000 0.578 120 G N -0.570 108.199 108.800 -0.052 0.000 2.704 120 G HA2 0.553 4.493 3.960 -0.034 0.000 0.279 120 G HA3 0.553 4.493 3.960 -0.034 0.000 0.279 120 G C -1.276 173.566 174.900 -0.095 0.000 1.510 120 G CA -0.249 44.823 45.100 -0.046 0.000 1.144 120 G HN -0.017 nan 8.290 nan 0.000 0.564 121 S N 1.694 117.345 115.700 -0.083 0.000 2.680 121 S HA 0.413 4.862 4.470 -0.034 0.000 0.262 121 S C -0.135 174.423 174.600 -0.070 0.000 1.138 121 S CA -0.667 57.471 58.200 -0.103 0.000 1.072 121 S CB 1.207 64.334 63.200 -0.122 0.000 1.097 121 S HN 1.119 nan 8.310 nan 0.000 0.468 122 N N 2.224 120.887 118.700 -0.062 0.000 2.663 122 N HA -0.192 4.528 4.740 -0.034 0.000 0.263 122 N C -0.838 174.677 175.510 0.008 0.000 1.109 122 N CA 1.045 54.076 53.050 -0.031 0.000 0.701 122 N CB -0.480 37.990 38.487 -0.028 0.000 0.879 122 N HN 0.735 nan 8.380 nan 0.000 0.550 123 E N -0.511 119.701 120.200 0.020 0.000 2.433 123 E HA 0.446 4.776 4.350 -0.034 0.000 0.278 123 E C 0.147 176.823 176.600 0.125 0.000 0.976 123 E CA -0.612 55.842 56.400 0.090 0.000 0.793 123 E CB 0.802 30.534 29.700 0.053 0.000 1.311 123 E HN 0.374 nan 8.360 nan 0.000 0.460 124 H N 0.121 119.209 119.070 0.030 0.000 2.525 124 H HA 0.097 4.632 4.556 -0.034 0.000 0.275 124 H C 1.142 176.525 175.328 0.092 0.000 0.984 124 H CA 0.784 56.867 56.048 0.059 0.000 1.264 124 H CB 0.697 30.492 29.762 0.055 0.000 1.432 124 H HN 0.288 nan 8.280 nan 0.000 0.549 125 S N 1.033 116.858 115.700 0.208 0.000 2.383 125 S HA -0.142 4.307 4.470 -0.034 0.000 0.229 125 S C 1.959 176.689 174.600 0.218 0.000 1.030 125 S CA 1.173 59.488 58.200 0.192 0.000 1.002 125 S CB -0.007 63.285 63.200 0.153 0.000 0.829 125 S HN 0.476 nan 8.310 nan 0.000 0.467 126 K N 0.650 121.125 120.400 0.125 0.000 2.063 126 K HA -0.125 4.175 4.320 -0.034 0.000 0.208 126 K C 2.531 179.231 176.600 0.167 0.000 1.048 126 K CA 1.815 58.137 56.287 0.059 0.000 0.928 126 K CB -0.568 31.893 32.500 -0.065 0.000 0.713 126 K HN 0.602 nan 8.250 nan 0.000 0.442 127 T N -1.488 113.142 114.554 0.128 0.000 3.033 127 T HA -0.107 4.222 4.350 -0.034 0.000 0.248 127 T C 2.115 176.912 174.700 0.161 0.000 1.040 127 T CA 0.451 62.619 62.100 0.112 0.000 1.133 127 T CB -0.033 68.848 68.868 0.021 0.000 0.895 127 T HN 0.255 nan 8.240 nan 0.000 0.465 128 Q N 0.084 120.031 119.800 0.245 0.000 2.268 128 Q HA -0.185 4.135 4.340 -0.034 0.000 0.210 128 Q C 2.345 178.495 176.000 0.250 0.000 0.988 128 Q CA 1.941 57.960 55.803 0.361 0.000 0.883 128 Q CB -0.848 28.069 28.738 0.298 0.000 0.911 128 Q HN 0.645 nan 8.270 nan 0.000 0.430 129 c N 0.176 118.904 118.600 0.213 0.000 2.508 129 c HA -0.080 4.470 4.570 -0.034 0.000 0.280 129 c C 2.580 176.685 174.090 0.025 0.000 1.262 129 c CA 1.243 57.631 56.329 0.097 0.000 1.706 129 c CB -0.797 41.738 42.510 0.041 0.000 2.078 129 c HN 0.807 nan 8.230 nan 0.000 0.480 130 E N 0.266 120.526 120.200 0.100 0.000 2.015 130 E HA -0.201 4.128 4.350 -0.034 0.000 0.191 130 E C 2.120 178.664 176.600 -0.094 0.000 0.991 130 E CA 1.437 57.839 56.400 0.003 0.000 0.802 130 E CB -0.268 29.483 29.700 0.085 0.000 0.759 130 E HN 0.644 nan 8.360 nan 0.000 0.447 131 E N -0.645 119.474 120.200 -0.135 0.000 2.049 131 E HA -0.215 4.114 4.350 -0.034 0.000 0.198 131 E C 1.754 177.985 176.600 -0.615 0.000 1.007 131 E CA 1.554 57.693 56.400 -0.435 0.000 0.809 131 E CB -0.149 29.192 29.700 -0.598 0.000 0.749 131 E HN 0.501 nan 8.360 nan 0.000 0.450 132 Y N -1.519 118.781 120.300 -0.001 0.000 2.444 132 Y HA 0.195 4.724 4.550 -0.034 0.000 0.249 132 Y C 0.818 176.692 175.900 -0.044 0.000 1.134 132 Y CA -0.438 57.653 58.100 -0.014 0.000 1.261 132 Y CB 0.428 38.890 38.460 0.003 0.000 1.143 132 Y HN 0.015 nan 8.280 nan 0.000 0.523 133 c N 1.908 120.517 118.600 0.015 0.000 4.268 133 c HA -0.233 4.316 4.570 -0.034 0.000 0.299 133 c C 0.396 174.461 174.090 -0.042 0.000 1.429 133 c CA -0.478 55.813 56.329 -0.063 0.000 2.018 133 c CB -3.026 39.417 42.510 -0.111 0.000 1.277 133 c HN 0.317 nan 8.230 nan 0.000 0.767 134 I N 0.938 121.516 120.570 0.013 0.000 2.304 134 I HA 0.211 4.360 4.170 -0.034 0.000 0.291 134 I C 0.585 176.683 176.117 -0.032 0.000 1.018 134 I CA 0.269 61.566 61.300 -0.004 0.000 1.260 134 I CB 0.921 38.942 38.000 0.036 0.000 1.390 134 I HN 0.365 nan 8.210 nan 0.000 0.475 135 Q N 5.217 124.955 119.800 -0.104 0.000 2.262 135 Q HA 0.263 4.582 4.340 -0.034 0.000 0.272 135 Q C 0.245 176.187 176.000 -0.097 0.000 1.076 135 Q CA 0.144 55.844 55.803 -0.172 0.000 0.905 135 Q CB 0.973 29.465 28.738 -0.409 0.000 1.182 135 Q HN 0.909 nan 8.270 nan 0.000 0.390 136 G N 3.531 112.378 108.800 0.078 0.000 2.851 136 G HA2 0.066 4.005 3.960 -0.034 0.000 0.208 136 G HA3 0.066 4.005 3.960 -0.034 0.000 0.208 136 G C -0.052 175.081 174.900 0.387 0.000 1.894 136 G CA 0.227 45.438 45.100 0.185 0.000 0.732 136 G HN 0.644 nan 8.290 nan 0.000 0.802 137 D N 0.008 120.602 120.400 0.323 0.000 2.999 137 D HA 0.067 4.686 4.640 -0.034 0.000 0.273 137 D C 1.466 177.941 176.300 0.291 0.000 1.485 137 D CA 0.139 54.299 54.000 0.267 0.000 1.101 137 D CB 0.064 40.960 40.800 0.161 0.000 1.109 137 D HN 0.084 nan 8.370 nan 0.000 0.368 138 N N 0.239 119.100 118.700 0.268 0.000 2.336 138 N HA 0.013 4.733 4.740 -0.034 0.000 0.189 138 N C 0.091 175.823 175.510 0.369 0.000 1.113 138 N CA 0.005 53.238 53.050 0.305 0.000 0.858 138 N CB 0.566 39.217 38.487 0.272 0.000 0.970 138 N HN 0.095 nan 8.380 nan 0.000 0.471 139 c N 1.588 120.377 118.600 0.316 0.000 2.303 139 c HA 0.404 4.953 4.570 -0.034 0.000 0.341 139 c C -0.306 173.953 174.090 0.282 0.000 1.244 139 c CA -0.659 55.748 56.329 0.129 0.000 1.765 139 c CB -1.744 40.794 42.510 0.048 0.000 2.379 139 c HN 0.261 nan 8.230 nan 0.000 0.530 140 F N 9.947 129.966 119.950 0.115 0.000 2.622 140 F HA 0.473 4.979 4.527 -0.035 0.000 0.338 140 F C -2.369 173.437 175.800 0.011 0.000 1.334 140 F CA -3.201 54.899 58.000 0.168 0.000 1.179 140 F CB 0.679 39.965 39.000 0.477 0.000 1.471 140 F HN 0.471 nan 8.300 nan 0.000 0.576 141 P HA 0.210 nan 4.420 nan 0.000 0.275 141 P C -0.106 176.930 177.300 -0.441 0.000 1.228 141 P CA 0.024 62.964 63.100 -0.268 0.000 0.786 141 P CB 1.649 33.206 31.700 -0.240 0.000 0.927 142 I N 3.302 123.610 120.570 -0.436 0.000 2.281 142 I HA 0.129 4.278 4.170 -0.034 0.000 0.293 142 I C 0.887 176.706 176.117 -0.497 0.000 1.085 142 I CA -0.321 60.697 61.300 -0.471 0.000 1.257 142 I CB 0.123 37.905 38.000 -0.363 0.000 1.430 142 I HN 0.086 nan 8.210 nan 0.000 0.489 143 M N 6.146 125.508 119.600 -0.397 0.000 2.233 143 M HA 0.316 4.775 4.480 -0.034 0.000 0.350 143 M C -0.224 175.917 176.300 -0.265 0.000 1.176 143 M CA -0.065 55.016 55.300 -0.364 0.000 1.150 143 M CB 0.095 32.566 32.600 -0.215 0.000 1.530 143 M HN 0.240 nan 8.290 nan 0.000 0.459 144 F N 4.195 124.083 119.950 -0.104 0.000 2.412 144 F HA 0.267 4.774 4.527 -0.035 0.000 0.348 144 F C -1.310 174.447 175.800 -0.071 0.000 1.102 144 F CA -1.653 56.295 58.000 -0.088 0.000 1.196 144 F CB 0.475 39.424 39.000 -0.085 0.000 1.144 144 F HN 0.377 nan 8.300 nan 0.000 0.541 145 P HA 0.035 nan 4.420 nan 0.000 0.274 145 P C 0.317 177.642 177.300 0.042 0.000 1.246 145 P CA -0.455 62.677 63.100 0.054 0.000 0.795 145 P CB 1.015 32.730 31.700 0.025 0.000 1.006 146 K N 1.703 122.114 120.400 0.018 0.000 2.077 146 K HA -0.219 4.080 4.320 -0.034 0.000 0.213 146 K C 1.106 177.702 176.600 -0.007 0.000 1.051 146 K CA 2.265 58.556 56.287 0.007 0.000 0.929 146 K CB -0.376 32.124 32.500 0.001 0.000 0.715 146 K HN 0.452 nan 8.250 nan 0.000 0.451 147 N N 0.682 119.373 118.700 -0.015 0.000 2.322 147 N HA -0.026 4.693 4.740 -0.034 0.000 0.194 147 N C -0.673 174.805 175.510 -0.054 0.000 1.126 147 N CA -0.288 52.745 53.050 -0.029 0.000 0.845 147 N CB 0.298 38.771 38.487 -0.023 0.000 0.976 147 N HN 0.160 nan 8.380 nan 0.000 0.475 148 D N 1.396 121.755 120.400 -0.069 0.000 2.401 148 D HA 0.020 4.640 4.640 -0.034 0.000 0.254 148 D C -1.453 174.730 176.300 -0.195 0.000 1.192 148 D CA -1.703 52.210 54.000 -0.144 0.000 0.885 148 D CB 1.286 41.970 40.800 -0.194 0.000 1.147 148 D HN 0.046 nan 8.370 nan 0.000 0.478 149 P HA -0.147 nan 4.420 nan 0.000 0.217 149 P C 0.989 178.133 177.300 -0.261 0.000 1.148 149 P CA 1.299 64.292 63.100 -0.178 0.000 0.828 149 P CB 0.296 31.909 31.700 -0.145 0.000 0.783 150 K N -1.167 118.960 120.400 -0.454 0.000 2.211 150 K HA -0.086 4.213 4.320 -0.034 0.000 0.203 150 K C 1.863 178.149 176.600 -0.523 0.000 1.050 150 K CA 0.650 56.565 56.287 -0.621 0.000 0.945 150 K CB -0.690 31.121 32.500 -1.149 0.000 0.732 150 K HN 0.085 nan 8.250 nan 0.000 0.451 151 L N 1.992 122.956 121.223 -0.432 0.000 2.079 151 L HA -0.202 4.118 4.340 -0.034 0.000 0.210 151 L C 1.659 178.490 176.870 -0.066 0.000 1.081 151 L CA 1.831 56.606 54.840 -0.108 0.000 0.752 151 L CB -0.168 41.869 42.059 -0.037 0.000 0.896 151 L HN 0.017 nan 8.230 nan 0.000 0.433 152 K N -1.764 118.576 120.400 -0.100 0.000 2.217 152 K HA -0.028 4.271 4.320 -0.034 0.000 0.202 152 K C 1.583 178.149 176.600 -0.057 0.000 1.051 152 K CA 1.554 57.802 56.287 -0.065 0.000 0.952 152 K CB -0.085 32.375 32.500 -0.067 0.000 0.736 152 K HN 0.553 nan 8.250 nan 0.000 0.453 153 T N -3.488 111.019 114.554 -0.079 0.000 2.975 153 T HA 0.145 4.474 4.350 -0.034 0.000 0.261 153 T C 1.372 176.047 174.700 -0.042 0.000 0.984 153 T CA -0.301 61.765 62.100 -0.057 0.000 0.911 153 T CB 0.447 69.276 68.868 -0.064 0.000 1.127 153 T HN -0.032 nan 8.240 nan 0.000 0.514 154 Q N 0.497 120.273 119.800 -0.040 0.000 2.113 154 Q HA 0.477 4.796 4.340 -0.034 0.000 0.225 154 Q C 0.789 176.836 176.000 0.078 0.000 0.786 154 Q CA -0.008 55.798 55.803 0.005 0.000 0.989 154 Q CB 1.690 30.425 28.738 -0.005 0.000 1.174 154 Q HN 0.692 nan 8.270 nan 0.000 0.470 155 G N 1.460 110.307 108.800 0.078 0.000 2.627 155 G HA2 -0.222 3.718 3.960 -0.034 0.000 0.214 155 G HA3 -0.222 3.718 3.960 -0.034 0.000 0.214 155 G C 0.039 175.048 174.900 0.182 0.000 1.331 155 G CA -0.420 44.728 45.100 0.079 0.000 0.891 155 G HN 0.017 nan 8.290 nan 0.000 0.539 156 K N -0.545 119.886 120.400 0.052 0.000 2.365 156 K HA 0.228 4.527 4.320 -0.034 0.000 0.197 156 K C 1.226 177.674 176.600 -0.254 0.000 1.042 156 K CA 1.528 57.824 56.287 0.015 0.000 0.987 156 K CB -0.408 32.068 32.500 -0.041 0.000 0.779 156 K HN 1.387 nan 8.250 nan 0.000 0.484 157 c N -2.105 116.201 118.600 -0.490 0.000 3.332 157 c HA 0.679 5.228 4.570 -0.034 0.000 0.329 157 c C -1.012 172.527 174.090 -0.919 0.000 1.434 157 c CA -1.304 54.448 56.329 -0.962 0.000 1.314 157 c CB 0.905 43.105 42.510 -0.516 0.000 1.664 157 c HN 0.134 nan 8.230 nan 0.000 0.457 158 M N 3.263 122.375 119.600 -0.813 0.000 2.227 158 M HA 0.496 4.955 4.480 -0.034 0.000 0.335 158 M C -2.330 173.833 176.300 -0.229 0.000 1.053 158 M CA -1.679 53.355 55.300 -0.442 0.000 0.973 158 M CB 2.270 34.711 32.600 -0.265 0.000 1.623 158 M HN 0.617 nan 8.290 nan 0.000 0.434 159 P HA 0.172 nan 4.420 nan 0.000 0.271 159 P C -1.387 175.904 177.300 -0.015 0.000 1.218 159 P CA 0.119 63.128 63.100 -0.152 0.000 0.780 159 P CB 0.524 32.151 31.700 -0.122 0.000 0.901 160 F N 2.516 122.199 119.950 -0.446 0.000 2.622 160 F HA 0.521 5.027 4.527 -0.035 0.000 0.318 160 F C -1.985 173.564 175.800 -0.418 0.000 1.135 160 F CA -0.859 57.003 58.000 -0.230 0.000 1.015 160 F CB 1.140 40.041 39.000 -0.164 0.000 1.275 160 F HN 0.062 nan 8.300 nan 0.000 0.457 161 F N 4.760 124.551 119.950 -0.264 0.000 2.495 161 F HA 0.592 5.098 4.527 -0.035 0.000 0.327 161 F C 0.332 176.007 175.800 -0.208 0.000 1.103 161 F CA -0.899 57.052 58.000 -0.082 0.000 0.949 161 F CB 1.650 40.612 39.000 -0.063 0.000 1.142 161 F HN 0.295 nan 8.300 nan 0.000 0.457 162 R N 1.525 122.186 120.500 0.268 0.000 2.640 162 R HA 0.386 4.705 4.340 -0.034 0.000 0.270 162 R C 0.077 176.473 176.300 0.160 0.000 1.024 162 R CA -0.247 56.022 56.100 0.281 0.000 1.085 162 R CB 0.453 30.931 30.300 0.296 0.000 0.963 162 R HN 0.780 nan 8.270 nan 0.000 0.426 163 A N 2.180 125.100 122.820 0.167 0.000 2.445 163 A HA 0.316 4.615 4.320 -0.034 0.000 0.242 163 A C 0.694 178.326 177.584 0.080 0.000 1.075 163 A CA 0.103 52.194 52.037 0.091 0.000 0.777 163 A CB 0.318 19.396 19.000 0.130 0.000 1.013 163 A HN 0.798 nan 8.150 nan 0.000 0.493 164 G N -0.097 108.685 108.800 -0.030 0.000 2.614 164 G HA2 0.457 4.396 3.960 -0.034 0.000 0.239 164 G HA3 0.457 4.396 3.960 -0.034 0.000 0.239 164 G C -0.316 174.568 174.900 -0.027 0.000 1.240 164 G CA 0.001 45.032 45.100 -0.115 0.000 0.842 164 G HN 1.048 nan 8.290 nan 0.000 0.584 165 F N 0.010 119.843 119.950 -0.194 0.000 2.588 165 F HA 0.664 5.170 4.527 -0.035 0.000 0.314 165 F C 0.209 175.861 175.800 -0.247 0.000 1.069 165 F CA -1.658 56.200 58.000 -0.237 0.000 0.931 165 F CB 0.907 39.717 39.000 -0.317 0.000 1.260 165 F HN 0.570 nan 8.300 nan 0.000 0.465 166 V N -0.605 119.244 119.914 -0.108 0.000 3.546 166 V HA 0.470 4.569 4.120 -0.034 0.000 0.296 166 V C 0.706 176.696 176.094 -0.172 0.000 1.082 166 V CA -0.308 61.906 62.300 -0.144 0.000 1.086 166 V CB 0.478 32.261 31.823 -0.066 0.000 1.174 166 V HN 1.467 nan 8.190 nan 0.000 0.464 167 c N -1.969 116.560 118.600 -0.118 0.000 3.929 167 c HA -0.147 4.403 4.570 -0.034 0.000 0.219 167 c C -1.399 172.631 174.090 -0.100 0.000 1.628 167 c CA 0.681 56.966 56.329 -0.074 0.000 1.512 167 c CB -3.212 39.312 42.510 0.024 0.000 3.223 167 c HN 1.185 nan 8.230 nan 0.000 0.851 168 P HA 0.453 nan 4.420 nan 0.000 0.317 168 P C 0.034 177.118 177.300 -0.361 0.000 1.307 168 P CA 1.449 64.486 63.100 -0.105 0.000 0.749 168 P CB 0.267 32.006 31.700 0.066 0.000 1.377 169 T N -7.197 107.173 114.554 -0.308 0.000 3.262 169 T HA 0.413 4.742 4.350 -0.034 0.000 0.300 169 T C -2.327 172.285 174.700 -0.147 0.000 0.959 169 T CA -0.279 61.530 62.100 -0.484 0.000 0.936 169 T CB -0.530 68.127 68.868 -0.351 0.000 1.169 169 T HN 0.158 nan 8.240 nan 0.000 0.532 170 P HA 0.490 nan 4.420 nan 0.000 0.167 170 P C -2.406 175.003 177.300 0.182 0.000 0.924 170 P CA 0.246 63.398 63.100 0.087 0.000 0.876 170 P CB -0.455 31.268 31.700 0.038 0.000 0.756 171 P HA 0.442 nan 4.420 nan 0.000 0.289 171 P C -1.700 175.742 177.300 0.236 0.000 1.293 171 P CA -0.532 62.647 63.100 0.131 0.000 0.897 171 P CB 1.114 32.849 31.700 0.058 0.000 1.166 172 Y N 1.038 121.291 120.300 -0.078 0.000 2.265 172 Y HA 0.219 4.748 4.550 -0.034 0.000 0.324 172 Y C -0.890 174.881 175.900 -0.215 0.000 1.197 172 Y CA -0.284 57.732 58.100 -0.140 0.000 1.318 172 Y CB 1.003 39.318 38.460 -0.242 0.000 1.223 172 Y HN 0.463 nan 8.280 nan 0.000 0.419 173 Q N 1.649 121.215 119.800 -0.390 0.000 2.303 173 Q HA 0.408 4.728 4.340 -0.034 0.000 0.303 173 Q C -0.841 174.955 176.000 -0.339 0.000 0.831 173 Q CA -0.099 55.481 55.803 -0.371 0.000 1.066 173 Q CB 0.727 29.321 28.738 -0.240 0.000 1.354 173 Q HN 0.310 nan 8.270 nan 0.000 0.394 174 S N -0.173 115.265 115.700 -0.437 0.000 2.527 174 S HA 0.311 4.761 4.470 -0.034 0.000 0.227 174 S C -0.020 174.377 174.600 -0.339 0.000 1.059 174 S CA 0.147 58.158 58.200 -0.315 0.000 0.919 174 S CB 0.498 63.555 63.200 -0.239 0.000 0.805 174 S HN 0.516 nan 8.310 nan 0.000 0.500 175 L N 0.057 120.985 121.223 -0.492 0.000 2.397 175 L HA 0.853 5.172 4.340 -0.034 0.000 0.251 175 L C -1.293 175.358 176.870 -0.365 0.000 1.064 175 L CA -0.914 53.708 54.840 -0.363 0.000 0.859 175 L CB 0.983 42.899 42.059 -0.239 0.000 1.468 175 L HN -0.009 nan 8.230 nan 0.000 0.411 176 A N 1.745 124.495 122.820 -0.116 0.000 2.440 176 A HA 0.418 4.718 4.320 -0.034 0.000 0.251 176 A C -0.014 177.716 177.584 0.244 0.000 1.089 176 A CA -0.234 51.826 52.037 0.040 0.000 0.779 176 A CB -0.041 19.034 19.000 0.124 0.000 1.022 176 A HN 0.747 nan 8.150 nan 0.000 0.492 177 R N 2.152 122.747 120.500 0.159 0.000 2.421 177 R HA 0.115 4.435 4.340 -0.034 0.000 0.305 177 R C -0.963 175.432 176.300 0.159 0.000 1.039 177 R CA 0.150 56.308 56.100 0.096 0.000 1.003 177 R CB 0.298 30.373 30.300 -0.375 0.000 0.959 177 R HN 0.670 nan 8.270 nan 0.000 0.427 178 E N 4.144 124.392 120.200 0.081 0.000 2.145 178 E HA 0.122 4.451 4.350 -0.034 0.000 0.270 178 E C -0.736 175.891 176.600 0.045 0.000 0.906 178 E CA -0.944 55.508 56.400 0.086 0.000 0.761 178 E CB 1.824 31.577 29.700 0.088 0.000 1.116 178 E HN 0.522 nan 8.360 nan 0.000 0.408 179 Q N 1.280 121.080 119.800 0.001 0.000 2.392 179 Q HA 0.284 4.603 4.340 -0.034 0.000 0.262 179 Q C 0.147 176.123 176.000 -0.041 0.000 1.003 179 Q CA 0.166 55.925 55.803 -0.075 0.000 0.888 179 Q CB 0.674 29.211 28.738 -0.335 0.000 1.260 179 Q HN 0.453 nan 8.270 nan 0.000 0.435 180 I N 1.525 122.057 120.570 -0.064 0.000 2.532 180 I HA 0.170 4.319 4.170 -0.034 0.000 0.292 180 I C 0.189 176.278 176.117 -0.048 0.000 1.014 180 I CA -0.653 60.609 61.300 -0.064 0.000 1.340 180 I CB 0.836 38.769 38.000 -0.112 0.000 1.422 180 I HN 0.479 nan 8.210 nan 0.000 0.528 181 N N 3.726 122.414 118.700 -0.021 0.000 2.469 181 N HA 0.381 5.101 4.740 -0.034 0.000 0.253 181 N C 0.199 175.713 175.510 0.007 0.000 0.970 181 N CA -0.359 52.696 53.050 0.008 0.000 0.940 181 N CB 1.773 40.274 38.487 0.023 0.000 1.128 181 N HN 0.711 nan 8.380 nan 0.000 0.503 182 A N 2.644 125.466 122.820 0.004 0.000 2.208 182 A HA 0.150 4.450 4.320 -0.034 0.000 0.209 182 A C 0.739 178.391 177.584 0.114 0.000 1.161 182 A CA 0.694 52.741 52.037 0.016 0.000 0.782 182 A CB -0.232 18.721 19.000 -0.078 0.000 0.816 182 A HN 0.520 nan 8.150 nan 0.000 0.477 183 V N -3.135 116.862 119.914 0.138 0.000 3.166 183 V HA 0.745 4.845 4.120 -0.034 0.000 0.317 183 V C 0.110 176.270 176.094 0.109 0.000 1.136 183 V CA -0.252 62.134 62.300 0.144 0.000 1.035 183 V CB 0.972 32.897 31.823 0.170 0.000 1.110 183 V HN 0.345 nan 8.190 nan 0.000 0.450 184 T N -0.825 113.806 114.554 0.127 0.000 2.907 184 T HA 0.288 4.618 4.350 -0.034 0.000 0.298 184 T C 0.926 175.661 174.700 0.059 0.000 1.017 184 T CA 0.388 62.566 62.100 0.129 0.000 1.118 184 T CB 1.039 70.052 68.868 0.242 0.000 0.948 184 T HN 0.789 nan 8.240 nan 0.000 0.531 185 S N 1.470 117.096 115.700 -0.122 0.000 2.453 185 S HA 0.150 4.599 4.470 -0.034 0.000 0.231 185 S C 0.290 174.726 174.600 -0.274 0.000 1.005 185 S CA 0.188 58.231 58.200 -0.261 0.000 0.949 185 S CB -0.516 62.435 63.200 -0.415 0.000 0.774 185 S HN 0.679 nan 8.310 nan 0.000 0.510 186 F N 1.135 121.168 119.950 0.138 0.000 2.410 186 F HA 0.317 4.823 4.527 -0.035 0.000 0.334 186 F C 0.240 176.166 175.800 0.210 0.000 1.134 186 F CA -1.054 57.058 58.000 0.187 0.000 1.227 186 F CB 0.310 39.423 39.000 0.188 0.000 1.194 186 F HN -0.043 nan 8.300 nan 0.000 0.571 187 L N 4.014 125.521 121.223 0.474 0.000 2.334 187 L HA 0.237 4.556 4.340 -0.034 0.000 0.286 187 L C -0.071 177.010 176.870 0.351 0.000 1.108 187 L CA -0.035 55.053 54.840 0.413 0.000 0.875 187 L CB -0.822 41.563 42.059 0.543 0.000 1.246 187 L HN 0.687 nan 8.230 nan 0.000 0.439 188 D N 2.834 123.406 120.400 0.286 0.000 2.615 188 D HA 0.191 4.810 4.640 -0.034 0.000 0.274 188 D C 0.637 177.066 176.300 0.215 0.000 1.512 188 D CA 0.289 54.426 54.000 0.228 0.000 0.803 188 D CB -0.152 40.778 40.800 0.217 0.000 1.182 188 D HN 0.540 nan 8.370 nan 0.000 0.473 189 A N 0.821 123.776 122.820 0.224 0.000 2.860 189 A HA -0.262 4.037 4.320 -0.034 0.000 0.267 189 A C 1.788 179.521 177.584 0.249 0.000 1.421 189 A CA 1.318 53.494 52.037 0.232 0.000 0.831 189 A CB -2.666 16.554 19.000 0.367 0.000 1.041 189 A HN 0.886 nan 8.150 nan 0.000 0.623 190 S N -0.517 115.303 115.700 0.199 0.000 2.469 190 S HA -0.090 4.359 4.470 -0.034 0.000 0.238 190 S C 1.693 176.352 174.600 0.098 0.000 0.998 190 S CA 1.349 59.652 58.200 0.171 0.000 0.957 190 S CB -0.845 62.450 63.200 0.158 0.000 0.764 190 S HN 1.823 nan 8.310 nan 0.000 0.514 191 L N -1.037 120.225 121.223 0.065 0.000 2.395 191 L HA 0.249 4.568 4.340 -0.034 0.000 0.218 191 L C 1.802 178.690 176.870 0.028 0.000 1.130 191 L CA 0.540 55.413 54.840 0.055 0.000 0.826 191 L CB -0.261 41.816 42.059 0.031 0.000 0.941 191 L HN 0.169 nan 8.230 nan 0.000 0.451 192 V N -0.986 118.857 119.914 -0.118 0.000 2.788 192 V HA -0.023 4.076 4.120 -0.034 0.000 0.241 192 V C 1.767 177.551 176.094 -0.517 0.000 1.083 192 V CA 0.975 63.053 62.300 -0.370 0.000 1.103 192 V CB -0.394 31.034 31.823 -0.658 0.000 0.800 192 V HN 0.373 nan 8.190 nan 0.000 0.476 193 Y N 0.875 121.164 120.300 -0.018 0.000 2.497 193 Y HA 0.553 5.082 4.550 -0.035 0.000 0.265 193 Y C 1.392 177.291 175.900 -0.002 0.000 1.111 193 Y CA 0.539 58.637 58.100 -0.003 0.000 1.288 193 Y CB 0.258 38.724 38.460 0.009 0.000 1.082 193 Y HN 0.333 nan 8.280 nan 0.000 0.536 194 G N -0.209 108.637 108.800 0.076 0.000 2.662 194 G HA2 -0.147 3.792 3.960 -0.034 0.000 0.686 194 G HA3 -0.147 3.792 3.960 -0.034 0.000 0.686 194 G C 0.140 175.098 174.900 0.097 0.000 1.271 194 G CA -0.236 44.886 45.100 0.038 0.000 0.816 194 G HN 0.029 nan 8.290 nan 0.000 0.608 195 S N 0.119 115.875 115.700 0.092 0.000 2.603 195 S HA 0.322 4.771 4.470 -0.034 0.000 0.232 195 S C 0.374 175.034 174.600 0.101 0.000 1.016 195 S CA 0.336 58.603 58.200 0.110 0.000 0.976 195 S CB 0.538 63.813 63.200 0.124 0.000 0.921 195 S HN 0.571 nan 8.310 nan 0.000 0.516 196 E N 1.816 122.073 120.200 0.095 0.000 2.234 196 E HA 0.357 4.686 4.350 -0.034 0.000 0.266 196 E C -2.745 173.899 176.600 0.074 0.000 0.877 196 E CA -2.402 54.050 56.400 0.086 0.000 0.758 196 E CB 1.812 31.573 29.700 0.102 0.000 1.170 196 E HN -0.006 nan 8.360 nan 0.000 0.415 200 A N -0.364 122.478 122.820 0.037 0.000 1.940 200 A HA -0.171 4.129 4.320 -0.034 0.000 0.219 200 A C 2.288 179.882 177.584 0.016 0.000 1.176 200 A CA 2.573 54.644 52.037 0.056 0.000 0.631 200 A CB -0.777 18.282 19.000 0.099 0.000 0.814 200 A HN 0.542 nan 8.150 nan 0.000 0.446 201 S N -1.008 114.692 115.700 0.000 0.000 2.425 201 S HA -0.089 4.361 4.470 -0.034 0.000 0.225 201 S C 2.084 176.663 174.600 -0.034 0.000 1.024 201 S CA 0.899 59.078 58.200 -0.035 0.000 0.951 201 S CB -0.377 62.807 63.200 -0.027 0.000 0.796 201 S HN 0.626 nan 8.310 nan 0.000 0.498 202 R N 0.398 120.892 120.500 -0.011 0.000 2.241 202 R HA 0.047 4.366 4.340 -0.034 0.000 0.224 202 R C 1.474 177.759 176.300 -0.026 0.000 1.101 202 R CA 1.110 57.206 56.100 -0.008 0.000 0.995 202 R CB -0.199 30.111 30.300 0.016 0.000 0.870 202 R HN 0.448 nan 8.270 nan 0.000 0.463 203 L N -0.091 121.108 121.223 -0.041 0.000 2.513 203 L HA 0.165 4.484 4.340 -0.034 0.000 0.222 203 L C 0.587 177.417 176.870 -0.068 0.000 1.096 203 L CA 0.059 54.865 54.840 -0.057 0.000 0.857 203 L CB 0.134 42.155 42.059 -0.063 0.000 1.026 203 L HN 0.035 nan 8.230 nan 0.000 0.469 204 R N 0.245 120.690 120.500 -0.092 0.000 2.532 204 R HA 0.183 4.502 4.340 -0.034 0.000 0.272 204 R C 0.044 176.287 176.300 -0.095 0.000 1.032 204 R CA -0.623 55.392 56.100 -0.141 0.000 1.089 204 R CB 0.476 30.593 30.300 -0.306 0.000 1.098 204 R HN -0.162 nan 8.270 nan 0.000 0.526 205 N N 2.311 120.970 118.700 -0.069 0.000 2.918 205 N HA 0.082 4.802 4.740 -0.034 0.000 0.247 205 N C 0.320 175.803 175.510 -0.044 0.000 1.117 205 N CA -0.030 52.998 53.050 -0.036 0.000 1.005 205 N CB 0.393 38.880 38.487 -0.001 0.000 1.297 205 N HN 0.547 nan 8.380 nan 0.000 0.513 206 L N 0.449 121.638 121.223 -0.056 0.000 2.549 206 L HA -0.034 4.285 4.340 -0.034 0.000 0.229 206 L C 1.826 178.683 176.870 -0.023 0.000 1.158 206 L CA 0.432 55.242 54.840 -0.050 0.000 0.842 206 L CB -0.067 41.961 42.059 -0.051 0.000 0.952 206 L HN 0.305 nan 8.230 nan 0.000 0.452 207 S N -0.840 114.852 115.700 -0.013 0.000 2.436 207 S HA -0.015 4.434 4.470 -0.034 0.000 0.228 207 S C 0.986 175.588 174.600 0.003 0.000 1.014 207 S CA 0.580 58.779 58.200 -0.002 0.000 0.950 207 S CB 0.030 63.233 63.200 0.004 0.000 0.784 207 S HN 0.545 nan 8.310 nan 0.000 0.504 208 S N 1.578 117.281 115.700 0.004 0.000 2.537 208 S HA 0.462 4.912 4.470 -0.034 0.000 0.301 208 S C -2.804 171.803 174.600 0.012 0.000 1.092 208 S CA -1.576 56.630 58.200 0.009 0.000 1.048 208 S CB 1.426 64.633 63.200 0.011 0.000 1.053 208 S HN 0.010 nan 8.310 nan 0.000 0.501 209 P HA 0.209 nan 4.420 nan 0.000 0.269 209 P C 0.082 177.405 177.300 0.038 0.000 1.601 209 P CA 0.027 63.144 63.100 0.028 0.000 0.831 209 P CB -0.371 31.349 31.700 0.034 0.000 1.688 210 L N -1.880 119.363 121.223 0.032 0.000 2.664 210 L HA 0.326 4.645 4.340 -0.034 0.000 0.233 210 L C 1.334 178.233 176.870 0.049 0.000 1.113 210 L CA 0.421 55.281 54.840 0.033 0.000 0.896 210 L CB -0.435 41.632 42.059 0.012 0.000 1.163 210 L HN 0.157 nan 8.230 nan 0.000 0.497 211 G N 1.612 110.456 108.800 0.074 0.000 2.225 211 G HA2 -0.246 3.693 3.960 -0.034 0.000 0.264 211 G HA3 -0.246 3.693 3.960 -0.034 0.000 0.264 211 G C -0.065 174.962 174.900 0.211 0.000 1.060 211 G CA -0.044 45.147 45.100 0.152 0.000 0.833 211 G HN 0.204 nan 8.290 nan 0.000 0.498 212 L N -0.290 121.025 121.223 0.154 0.000 2.375 212 L HA 0.676 4.995 4.340 -0.034 0.000 0.268 212 L C 1.008 178.011 176.870 0.222 0.000 1.058 212 L CA -1.147 53.808 54.840 0.191 0.000 0.803 212 L CB 1.104 43.211 42.059 0.080 0.000 1.212 212 L HN 0.070 nan 8.230 nan 0.000 0.451 213 M N 1.271 121.017 119.600 0.243 0.000 2.314 213 M HA 0.355 4.815 4.480 -0.034 0.000 0.342 213 M C 0.148 176.455 176.300 0.012 0.000 1.171 213 M CA -0.542 54.803 55.300 0.074 0.000 1.098 213 M CB 1.549 34.132 32.600 -0.028 0.000 1.559 213 M HN 0.689 nan 8.290 nan 0.000 0.459 214 A N 2.845 125.648 122.820 -0.028 0.000 2.498 214 A HA 0.439 4.739 4.320 -0.034 0.000 0.239 214 A C 0.029 177.578 177.584 -0.057 0.000 1.068 214 A CA -0.382 51.633 52.037 -0.036 0.000 0.766 214 A CB -0.006 18.968 19.000 -0.042 0.000 1.003 214 A HN 0.798 nan 8.150 nan 0.000 0.497 215 V N 0.854 120.733 119.914 -0.058 0.000 3.113 215 V HA 0.526 4.625 4.120 -0.034 0.000 0.316 215 V C 0.219 176.226 176.094 -0.146 0.000 1.125 215 V CA -1.398 60.842 62.300 -0.101 0.000 1.026 215 V CB 1.721 33.497 31.823 -0.078 0.000 1.080 215 V HN 0.865 nan 8.190 nan 0.000 0.444 216 N N 1.807 120.363 118.700 -0.241 0.000 2.468 216 N HA 0.093 4.812 4.740 -0.034 0.000 0.265 216 N C 0.269 175.558 175.510 -0.370 0.000 1.199 216 N CA 0.062 52.898 53.050 -0.357 0.000 0.928 216 N CB 1.236 39.416 38.487 -0.511 0.000 1.059 216 N HN 0.723 nan 8.380 nan 0.000 0.467 217 Q N 2.020 121.655 119.800 -0.274 0.000 2.319 217 Q HA 0.092 4.411 4.340 -0.034 0.000 0.202 217 Q C 0.322 176.085 176.000 -0.394 0.000 0.896 217 Q CA 0.451 56.136 55.803 -0.198 0.000 0.942 217 Q CB 0.536 29.274 28.738 -0.000 0.000 1.083 217 Q HN 0.699 nan 8.270 nan 0.000 0.510 218 E N -0.538 119.375 120.200 -0.479 0.000 2.447 218 E HA 0.311 4.640 4.350 -0.034 0.000 0.204 218 E C 0.002 176.337 176.600 -0.441 0.000 0.977 218 E CA 0.065 56.281 56.400 -0.306 0.000 0.950 218 E CB 1.037 30.756 29.700 0.031 0.000 0.975 218 E HN 0.085 nan 8.360 nan 0.000 0.496 219 A N 0.608 123.002 122.820 -0.711 0.000 2.587 219 A HA 0.615 4.914 4.320 -0.034 0.000 0.293 219 A C -1.928 175.346 177.584 -0.516 0.000 1.087 219 A CA -0.679 51.165 52.037 -0.322 0.000 0.692 219 A CB 1.338 20.460 19.000 0.203 0.000 1.291 219 A HN 0.102 nan 8.150 nan 0.000 0.407 220 W N 0.372 121.753 121.300 0.135 0.000 3.022 220 W HA 0.309 4.949 4.660 -0.035 0.000 0.335 220 W C -1.219 175.108 176.519 -0.319 0.000 1.133 220 W CA -0.688 56.535 57.345 -0.202 0.000 1.219 220 W CB 2.182 31.601 29.460 -0.068 0.000 1.409 220 W HN 0.842 nan 8.180 nan 0.000 0.507 221 D N 1.489 121.625 120.400 -0.440 0.000 2.845 221 D HA 0.037 4.656 4.640 -0.034 0.000 0.235 221 D C 0.681 177.021 176.300 0.066 0.000 1.158 221 D CA 0.559 54.412 54.000 -0.244 0.000 0.990 221 D CB -0.822 39.746 40.800 -0.386 0.000 1.094 221 D HN 0.505 nan 8.370 nan 0.000 0.486 222 H N 0.515 119.622 119.070 0.061 0.000 2.677 222 H HA -0.274 4.262 4.556 -0.035 0.000 0.321 222 H C 1.097 176.461 175.328 0.059 0.000 1.171 222 H CA 0.549 56.649 56.048 0.086 0.000 1.139 222 H CB -0.843 28.987 29.762 0.114 0.000 1.515 222 H HN 0.660 nan 8.280 nan 0.000 0.423 223 G N -0.173 108.655 108.800 0.045 0.000 2.611 223 G HA2 -0.269 3.670 3.960 -0.034 0.000 0.208 223 G HA3 -0.269 3.670 3.960 -0.034 0.000 0.208 223 G C 0.309 175.199 174.900 -0.017 0.000 1.201 223 G CA -0.027 45.029 45.100 -0.073 0.000 0.739 223 G HN 0.390 nan 8.290 nan 0.000 0.528 224 L N 1.933 123.132 121.223 -0.041 0.000 2.464 224 L HA 0.639 4.959 4.340 -0.034 0.000 0.264 224 L C 1.138 177.919 176.870 -0.149 0.000 1.199 224 L CA -0.083 54.693 54.840 -0.107 0.000 0.818 224 L CB 0.816 42.761 42.059 -0.190 0.000 1.102 224 L HN 0.580 nan 8.230 nan 0.000 0.473 225 A N 1.622 124.339 122.820 -0.172 0.000 2.264 225 A HA 0.621 4.920 4.320 -0.034 0.000 0.304 225 A C -1.053 176.296 177.584 -0.391 0.000 1.100 225 A CA -0.292 51.620 52.037 -0.207 0.000 0.839 225 A CB 0.426 19.367 19.000 -0.097 0.000 1.121 225 A HN 0.587 nan 8.150 nan 0.000 0.496 226 Y N -0.256 119.888 120.300 -0.260 0.000 2.487 226 Y HA 0.453 4.982 4.550 -0.035 0.000 0.337 226 Y C 0.213 175.833 175.900 -0.466 0.000 1.076 226 Y CA -0.929 56.923 58.100 -0.412 0.000 1.115 226 Y CB 1.495 39.696 38.460 -0.432 0.000 1.235 226 Y HN 0.514 nan 8.280 nan 0.000 0.468 227 L N 4.374 125.331 121.223 -0.444 0.000 2.514 227 L HA 0.062 4.381 4.340 -0.034 0.000 0.280 227 L C -2.246 174.446 176.870 -0.298 0.000 1.223 227 L CA -1.650 52.951 54.840 -0.398 0.000 0.864 227 L CB -0.296 41.463 42.059 -0.501 0.000 1.118 227 L HN 0.283 nan 8.230 nan 0.000 0.494 228 P HA -0.018 nan 4.420 nan 0.000 0.269 228 P C -0.736 176.540 177.300 -0.040 0.000 1.217 228 P CA 0.025 63.019 63.100 -0.177 0.000 0.783 228 P CB 0.330 31.983 31.700 -0.078 0.000 0.898 229 F N 0.470 120.488 119.950 0.113 0.000 2.384 229 F HA 0.216 4.723 4.527 -0.034 0.000 0.338 229 F C 1.367 177.202 175.800 0.058 0.000 1.103 229 F CA -0.405 57.651 58.000 0.094 0.000 1.157 229 F CB -0.207 38.811 39.000 0.031 0.000 1.167 229 F HN 0.184 nan 8.300 nan 0.000 0.529 230 N N 2.356 121.216 118.700 0.266 0.000 2.399 230 N HA 0.018 4.737 4.740 -0.034 0.000 0.259 230 N C 0.048 175.633 175.510 0.126 0.000 1.160 230 N CA 0.173 53.323 53.050 0.167 0.000 0.946 230 N CB -0.221 38.357 38.487 0.152 0.000 1.156 230 N HN 0.542 nan 8.380 nan 0.000 0.489 231 N N 1.495 120.262 118.700 0.111 0.000 2.434 231 N HA -0.055 4.664 4.740 -0.034 0.000 0.196 231 N C -0.209 175.317 175.510 0.027 0.000 1.183 231 N CA -0.001 53.086 53.050 0.061 0.000 0.849 231 N CB 0.202 38.731 38.487 0.070 0.000 0.992 231 N HN 0.437 nan 8.380 nan 0.000 0.460 232 K N 1.881 122.300 120.400 0.033 0.000 2.484 232 K HA 0.041 4.341 4.320 -0.034 0.000 0.280 232 K C -0.621 175.970 176.600 -0.015 0.000 1.013 232 K CA 0.607 56.899 56.287 0.008 0.000 1.029 232 K CB 0.379 32.887 32.500 0.014 0.000 0.902 232 K HN -0.039 nan 8.250 nan 0.000 0.481 233 K N 4.359 124.742 120.400 -0.028 0.000 2.422 233 K HA 0.409 4.708 4.320 -0.034 0.000 0.251 233 K C -2.320 174.249 176.600 -0.051 0.000 0.933 233 K CA -1.969 54.296 56.287 -0.038 0.000 0.798 233 K CB 1.499 33.980 32.500 -0.031 0.000 1.238 233 K HN 0.619 nan 8.250 nan 0.000 0.428 234 P HA 0.102 nan 4.420 nan 0.000 0.275 234 P C -0.928 176.334 177.300 -0.063 0.000 1.228 234 P CA -0.451 62.616 63.100 -0.056 0.000 0.786 234 P CB 1.326 32.982 31.700 -0.074 0.000 0.927 235 S N 1.835 117.515 115.700 -0.033 0.000 2.449 235 S HA 0.406 4.856 4.470 -0.034 0.000 0.310 235 S C -1.523 173.080 174.600 0.006 0.000 1.096 235 S CA -1.727 56.455 58.200 -0.029 0.000 1.095 235 S CB 1.031 64.211 63.200 -0.033 0.000 1.007 235 S HN 0.279 nan 8.310 nan 0.000 0.474 236 P HA 0.036 nan 4.420 nan 0.000 0.221 236 P C 1.192 178.570 177.300 0.131 0.000 1.150 236 P CA 0.784 63.892 63.100 0.014 0.000 0.800 236 P CB -0.191 31.306 31.700 -0.338 0.000 0.787 237 c N -0.001 118.660 118.600 0.102 0.000 2.446 237 c HA 0.025 4.574 4.570 -0.034 0.000 0.279 237 c C 2.669 176.794 174.090 0.060 0.000 1.366 237 c CA 0.485 56.878 56.329 0.107 0.000 1.763 237 c CB -1.466 41.064 42.510 0.034 0.000 1.929 237 c HN 0.321 nan 8.230 nan 0.000 0.509 238 E N 0.199 120.416 120.200 0.028 0.000 2.046 238 E HA -0.147 4.182 4.350 -0.034 0.000 0.190 238 E C 1.792 178.409 176.600 0.029 0.000 0.982 238 E CA 0.959 57.352 56.400 -0.010 0.000 0.800 238 E CB -0.268 29.412 29.700 -0.034 0.000 0.756 238 E HN 0.704 nan 8.360 nan 0.000 0.449 239 F N 2.075 122.005 119.950 -0.032 0.000 2.161 239 F HA -0.188 4.318 4.527 -0.035 0.000 0.300 239 F C 2.060 177.854 175.800 -0.009 0.000 1.089 239 F CA 1.433 59.432 58.000 -0.002 0.000 1.282 239 F CB -0.155 38.881 39.000 0.061 0.000 1.010 239 F HN -0.002 nan 8.300 nan 0.000 0.485 240 I N -1.310 119.234 120.570 -0.044 0.000 2.916 240 I HA -0.066 4.083 4.170 -0.034 0.000 0.267 240 I C 0.161 176.170 176.117 -0.180 0.000 1.263 240 I CA 1.112 62.326 61.300 -0.144 0.000 1.471 240 I CB -0.503 37.475 38.000 -0.036 0.000 1.089 240 I HN 0.228 nan 8.210 nan 0.000 0.468 241 N N 0.717 119.290 118.700 -0.211 0.000 2.969 241 N HA 0.045 4.765 4.740 -0.034 0.000 0.230 241 N C 0.525 175.859 175.510 -0.293 0.000 1.397 241 N CA 0.363 53.218 53.050 -0.324 0.000 0.762 241 N CB 0.629 38.782 38.487 -0.557 0.000 1.495 241 N HN 0.223 nan 8.380 nan 0.000 0.583 242 T N -1.867 112.530 114.554 -0.261 0.000 3.098 242 T HA -0.041 4.288 4.350 -0.034 0.000 0.266 242 T C 1.381 175.968 174.700 -0.189 0.000 1.145 242 T CA 1.280 63.266 62.100 -0.191 0.000 1.092 242 T CB -0.006 68.768 68.868 -0.157 0.000 0.908 242 T HN 0.246 nan 8.240 nan 0.000 0.526 243 T N 1.899 116.308 114.554 -0.242 0.000 2.814 243 T HA 0.256 4.585 4.350 -0.034 0.000 0.254 243 T C 2.497 177.060 174.700 -0.228 0.000 1.037 243 T CA 0.936 62.901 62.100 -0.223 0.000 1.143 243 T CB -0.661 68.061 68.868 -0.245 0.000 0.866 243 T HN 0.544 nan 8.240 nan 0.000 0.431 244 A N 0.814 123.441 122.820 -0.322 0.000 1.969 244 A HA 0.070 4.369 4.320 -0.034 0.000 0.218 244 A C 1.351 178.831 177.584 -0.174 0.000 1.169 244 A CA 1.240 53.116 52.037 -0.268 0.000 0.635 244 A CB -0.569 18.183 19.000 -0.413 0.000 0.810 244 A HN 0.529 nan 8.150 nan 0.000 0.445 245 R N -1.312 119.077 120.500 -0.186 0.000 3.251 245 R HA -0.145 4.175 4.340 -0.034 0.000 0.249 245 R C -1.376 174.805 176.300 -0.198 0.000 0.949 245 R CA 0.478 56.482 56.100 -0.160 0.000 0.645 245 R CB -1.903 28.316 30.300 -0.135 0.000 1.065 245 R HN 0.220 nan 8.270 nan 0.000 0.452 246 V N 2.949 122.752 119.914 -0.186 0.000 2.347 246 V HA 0.390 4.490 4.120 -0.034 0.000 0.280 246 V C -1.496 174.378 176.094 -0.368 0.000 1.021 246 V CA -1.530 60.582 62.300 -0.313 0.000 0.847 246 V CB 1.530 33.272 31.823 -0.136 0.000 0.990 246 V HN 0.281 nan 8.190 nan 0.000 0.444 247 P HA 0.181 nan 4.420 nan 0.000 0.273 247 P C -0.058 177.063 177.300 -0.298 0.000 1.250 247 P CA -0.446 62.426 63.100 -0.380 0.000 0.793 247 P CB 0.608 32.083 31.700 -0.376 0.000 1.011 248 c N -0.027 118.499 118.600 -0.124 0.000 2.705 248 c HA 0.231 4.780 4.570 -0.034 0.000 0.382 248 c C 1.238 175.329 174.090 0.001 0.000 1.322 248 c CA -0.149 56.121 56.329 -0.098 0.000 2.290 248 c CB -1.286 41.268 42.510 0.073 0.000 2.650 248 c HN 0.401 nan 8.230 nan 0.000 0.695 249 F N 0.283 120.316 119.950 0.139 0.000 2.375 249 F HA 0.472 4.979 4.527 -0.035 0.000 0.313 249 F C 0.326 176.132 175.800 0.011 0.000 1.176 249 F CA -0.828 57.215 58.000 0.073 0.000 1.142 249 F CB 0.451 39.431 39.000 -0.032 0.000 1.275 249 F HN 0.250 nan 8.300 nan 0.000 0.544 250 L N 1.772 123.113 121.223 0.197 0.000 2.316 250 L HA 0.685 5.005 4.340 -0.034 0.000 0.280 250 L C -0.531 176.284 176.870 -0.091 0.000 1.006 250 L CA -0.099 54.761 54.840 0.035 0.000 0.836 250 L CB 0.405 42.490 42.059 0.044 0.000 1.221 250 L HN 0.632 nan 8.230 nan 0.000 0.418 251 A N 2.918 125.621 122.820 -0.195 0.000 2.389 251 A HA 0.695 4.994 4.320 -0.034 0.000 0.293 251 A C 1.004 178.406 177.584 -0.303 0.000 1.186 251 A CA -0.117 51.766 52.037 -0.257 0.000 0.828 251 A CB 0.726 19.477 19.000 -0.415 0.000 1.369 251 A HN 0.793 nan 8.150 nan 0.000 0.446 252 G N -0.860 107.809 108.800 -0.218 0.000 2.535 252 G HA2 0.080 4.020 3.960 -0.034 0.000 0.218 252 G HA3 0.080 4.020 3.960 -0.034 0.000 0.218 252 G C 0.199 174.953 174.900 -0.243 0.000 1.122 252 G CA 1.220 46.204 45.100 -0.194 0.000 0.769 252 G HN 0.696 nan 8.290 nan 0.000 0.549 253 D N -1.391 118.842 120.400 -0.279 0.000 2.896 253 D HA 0.239 4.859 4.640 -0.034 0.000 0.241 253 D C -0.140 175.968 176.300 -0.321 0.000 1.188 253 D CA -0.779 53.069 54.000 -0.254 0.000 0.879 253 D CB 1.277 42.021 40.800 -0.093 0.000 1.553 253 D HN -0.053 nan 8.370 nan 0.000 0.515 254 F N 1.902 121.789 119.950 -0.106 0.000 2.771 254 F HA 0.116 4.622 4.527 -0.034 0.000 0.299 254 F C 2.196 177.914 175.800 -0.138 0.000 1.177 254 F CA 0.404 58.361 58.000 -0.071 0.000 1.450 254 F CB 0.093 39.117 39.000 0.041 0.000 1.114 254 F HN 0.193 nan 8.300 nan 0.000 0.587 255 R N -0.645 119.744 120.500 -0.186 0.000 2.362 255 R HA 0.258 4.577 4.340 -0.034 0.000 0.227 255 R C 2.227 178.455 176.300 -0.120 0.000 0.905 255 R CA 0.484 56.444 56.100 -0.234 0.000 1.067 255 R CB -0.121 29.794 30.300 -0.641 0.000 1.078 255 R HN 0.173 nan 8.270 nan 0.000 0.516 256 A N 0.761 123.484 122.820 -0.162 0.000 1.986 256 A HA -0.166 4.133 4.320 -0.034 0.000 0.220 256 A C 1.823 179.367 177.584 -0.068 0.000 1.171 256 A CA 1.763 53.646 52.037 -0.256 0.000 0.640 256 A CB -0.179 18.383 19.000 -0.732 0.000 0.811 256 A HN 0.178 nan 8.150 nan 0.000 0.451 257 S N -0.809 114.867 115.700 -0.040 0.000 2.575 257 S HA 0.032 4.482 4.470 -0.034 0.000 0.215 257 S C 1.539 175.943 174.600 -0.328 0.000 0.966 257 S CA 0.261 58.437 58.200 -0.040 0.000 0.911 257 S CB 0.067 63.311 63.200 0.072 0.000 0.780 257 S HN 0.673 nan 8.310 nan 0.000 0.514 258 E N 1.801 121.708 120.200 -0.488 0.000 2.171 258 E HA -0.201 4.128 4.350 -0.034 0.000 0.197 258 E C 0.379 176.696 176.600 -0.472 0.000 0.997 258 E CA 1.193 57.023 56.400 -0.950 0.000 0.810 258 E CB 0.174 29.592 29.700 -0.469 0.000 0.738 258 E HN 0.735 nan 8.360 nan 0.000 0.467 259 Q N -1.743 117.955 119.800 -0.171 0.000 2.482 259 Q HA 0.315 4.634 4.340 -0.034 0.000 0.286 259 Q C 0.530 176.506 176.000 -0.040 0.000 1.007 259 Q CA -0.460 55.326 55.803 -0.029 0.000 0.801 259 Q CB 0.559 29.358 28.738 0.102 0.000 1.455 259 Q HN -0.025 nan 8.270 nan 0.000 0.398 260 I N 0.677 121.210 120.570 -0.061 0.000 2.454 260 I HA -0.179 3.970 4.170 -0.034 0.000 0.254 260 I C 1.040 177.153 176.117 -0.007 0.000 1.156 260 I CA 1.164 62.435 61.300 -0.049 0.000 1.433 260 I CB 0.156 38.086 38.000 -0.118 0.000 1.082 260 I HN 0.755 nan 8.210 nan 0.000 0.432 261 L N -0.478 120.739 121.223 -0.010 0.000 2.240 261 L HA -0.165 4.155 4.340 -0.034 0.000 0.211 261 L C 2.352 179.244 176.870 0.038 0.000 1.106 261 L CA 0.408 55.255 54.840 0.012 0.000 0.793 261 L CB -0.498 41.564 42.059 0.004 0.000 0.927 261 L HN 0.299 nan 8.230 nan 0.000 0.446 262 L N 0.542 121.788 121.223 0.038 0.000 2.027 262 L HA -0.063 4.256 4.340 -0.034 0.000 0.206 262 L C 2.691 179.672 176.870 0.186 0.000 1.074 262 L CA 1.934 56.821 54.840 0.077 0.000 0.745 262 L CB -0.679 41.416 42.059 0.060 0.000 0.898 262 L HN 0.113 nan 8.230 nan 0.000 0.433 263 A N -1.341 121.568 122.820 0.148 0.000 1.908 263 A HA -0.239 4.061 4.320 -0.034 0.000 0.218 263 A C 2.268 179.932 177.584 0.133 0.000 1.181 263 A CA 2.467 54.615 52.037 0.185 0.000 0.627 263 A CB -1.310 17.847 19.000 0.261 0.000 0.818 263 A HN 0.540 nan 8.150 nan 0.000 0.445 264 T N 0.167 114.781 114.554 0.100 0.000 2.708 264 T HA -0.018 4.311 4.350 -0.034 0.000 0.266 264 T C 2.265 177.016 174.700 0.085 0.000 1.037 264 T CA 1.686 63.827 62.100 0.068 0.000 1.146 264 T CB -0.514 68.383 68.868 0.049 0.000 0.865 264 T HN 0.627 nan 8.240 nan 0.000 0.435 265 A N 1.434 124.323 122.820 0.115 0.000 1.883 265 A HA -0.220 4.079 4.320 -0.034 0.000 0.217 265 A C 2.131 179.759 177.584 0.072 0.000 1.186 265 A CA 1.584 53.707 52.037 0.143 0.000 0.624 265 A CB -0.967 18.104 19.000 0.118 0.000 0.822 265 A HN 0.571 nan 8.150 nan 0.000 0.444 266 H N -0.547 118.523 119.070 0.000 0.000 2.387 266 H HA -0.093 4.443 4.556 -0.033 0.000 0.299 266 H C 2.280 177.542 175.328 -0.110 0.000 1.090 266 H CA 1.923 57.936 56.048 -0.058 0.000 1.332 266 H CB -0.257 29.466 29.762 -0.064 0.000 1.386 266 H HN 0.494 nan 8.280 nan 0.000 0.516 267 T N 1.286 115.847 114.554 0.013 0.000 2.737 267 T HA -0.093 4.236 4.350 -0.034 0.000 0.265 267 T C 2.431 177.077 174.700 -0.089 0.000 1.038 267 T CA 0.652 62.698 62.100 -0.089 0.000 1.144 267 T CB -0.372 68.437 68.868 -0.098 0.000 0.866 267 T HN 0.199 nan 8.240 nan 0.000 0.434 268 L N 0.419 121.603 121.223 -0.064 0.000 2.129 268 L HA -0.108 4.212 4.340 -0.034 0.000 0.212 268 L C 2.312 179.091 176.870 -0.153 0.000 1.087 268 L CA 1.142 55.915 54.840 -0.112 0.000 0.757 268 L CB -0.543 41.460 42.059 -0.094 0.000 0.896 268 L HN 0.287 nan 8.230 nan 0.000 0.434 269 L N -1.581 119.574 121.223 -0.113 0.000 2.162 269 L HA -0.139 4.180 4.340 -0.034 0.000 0.205 269 L C 2.407 179.201 176.870 -0.126 0.000 1.086 269 L CA 0.256 55.018 54.840 -0.130 0.000 0.778 269 L CB -0.342 41.652 42.059 -0.109 0.000 0.928 269 L HN 0.174 nan 8.230 nan 0.000 0.446 270 L N 0.189 121.337 121.223 -0.125 0.000 2.042 270 L HA -0.210 4.110 4.340 -0.034 0.000 0.210 270 L C 2.772 179.612 176.870 -0.049 0.000 1.076 270 L CA 1.790 56.560 54.840 -0.117 0.000 0.749 270 L CB -0.347 41.631 42.059 -0.134 0.000 0.893 270 L HN 0.097 nan 8.230 nan 0.000 0.432 271 R N -0.961 119.485 120.500 -0.091 0.000 2.090 271 R HA -0.151 4.168 4.340 -0.034 0.000 0.228 271 R C 2.160 178.391 176.300 -0.115 0.000 1.110 271 R CA 1.141 57.180 56.100 -0.101 0.000 0.973 271 R CB -0.294 29.923 30.300 -0.138 0.000 0.869 271 R HN 0.300 nan 8.270 nan 0.000 0.440 272 E N 0.299 120.404 120.200 -0.158 0.000 2.204 272 E HA -0.196 4.133 4.350 -0.034 0.000 0.194 272 E C 1.598 178.113 176.600 -0.141 0.000 0.989 272 E CA 1.384 57.651 56.400 -0.222 0.000 0.824 272 E CB -0.123 29.349 29.700 -0.380 0.000 0.756 272 E HN 0.400 nan 8.360 nan 0.000 0.477 273 H N 0.161 119.147 119.070 -0.140 0.000 2.270 273 H HA -0.020 4.516 4.556 -0.035 0.000 0.299 273 H C 1.563 176.859 175.328 -0.053 0.000 1.077 273 H CA 2.378 58.391 56.048 -0.058 0.000 1.294 273 H CB -0.190 29.581 29.762 0.015 0.000 1.371 273 H HN 0.113 nan 8.280 nan 0.000 0.491 274 N N 0.390 119.055 118.700 -0.059 0.000 2.188 274 N HA -0.130 4.590 4.740 -0.034 0.000 0.184 274 N C 2.026 177.450 175.510 -0.143 0.000 1.018 274 N CA 0.928 53.913 53.050 -0.109 0.000 0.858 274 N CB -0.393 38.090 38.487 -0.007 0.000 0.989 274 N HN 0.385 nan 8.380 nan 0.000 0.426 275 R N 0.870 121.285 120.500 -0.141 0.000 2.083 275 R HA -0.049 4.271 4.340 -0.034 0.000 0.237 275 R C 2.015 178.204 176.300 -0.186 0.000 1.137 275 R CA 1.029 57.036 56.100 -0.154 0.000 0.951 275 R CB -0.350 29.852 30.300 -0.163 0.000 0.851 275 R HN 0.202 nan 8.270 nan 0.000 0.434 276 L N 0.083 121.171 121.223 -0.225 0.000 2.056 276 L HA -0.116 4.203 4.340 -0.034 0.000 0.207 276 L C 2.744 179.470 176.870 -0.240 0.000 1.078 276 L CA 1.261 55.947 54.840 -0.257 0.000 0.749 276 L CB -0.487 41.405 42.059 -0.278 0.000 0.901 276 L HN 0.301 nan 8.230 nan 0.000 0.433 277 A N 0.234 122.890 122.820 -0.273 0.000 1.865 277 A HA -0.231 4.068 4.320 -0.034 0.000 0.217 277 A C 2.357 179.859 177.584 -0.137 0.000 1.191 277 A CA 1.682 53.589 52.037 -0.216 0.000 0.623 277 A CB -0.550 18.279 19.000 -0.285 0.000 0.826 277 A HN 0.314 nan 8.150 nan 0.000 0.444 278 R N -0.547 119.873 120.500 -0.134 0.000 2.105 278 R HA -0.126 4.194 4.340 -0.034 0.000 0.239 278 R C 2.123 178.352 176.300 -0.118 0.000 1.135 278 R CA 1.345 57.382 56.100 -0.106 0.000 0.967 278 R CB -0.327 29.917 30.300 -0.093 0.000 0.861 278 R HN 0.544 nan 8.270 nan 0.000 0.442 279 E N 0.984 121.100 120.200 -0.140 0.000 2.058 279 E HA -0.186 4.143 4.350 -0.034 0.000 0.194 279 E C 2.173 178.678 176.600 -0.157 0.000 0.997 279 E CA 1.111 57.424 56.400 -0.145 0.000 0.801 279 E CB -0.247 29.350 29.700 -0.171 0.000 0.746 279 E HN 0.347 nan 8.360 nan 0.000 0.450 280 L N 0.686 121.807 121.223 -0.171 0.000 2.081 280 L HA -0.243 4.076 4.340 -0.034 0.000 0.212 280 L C 2.590 179.297 176.870 -0.271 0.000 1.080 280 L CA 1.506 56.227 54.840 -0.197 0.000 0.754 280 L CB -0.420 41.597 42.059 -0.071 0.000 0.893 280 L HN 0.074 nan 8.230 nan 0.000 0.433 281 K N 0.679 120.972 120.400 -0.178 0.000 2.076 281 K HA -0.115 4.184 4.320 -0.034 0.000 0.204 281 K C 1.997 178.500 176.600 -0.163 0.000 1.051 281 K CA 1.238 57.424 56.287 -0.169 0.000 0.949 281 K CB -0.025 32.423 32.500 -0.086 0.000 0.726 281 K HN -0.026 nan 8.250 nan 0.000 0.443 282 K N -0.021 120.303 120.400 -0.128 0.000 2.218 282 K HA -0.113 4.187 4.320 -0.034 0.000 0.205 282 K C 1.642 178.172 176.600 -0.117 0.000 1.046 282 K CA 1.468 57.693 56.287 -0.104 0.000 0.933 282 K CB -0.035 32.412 32.500 -0.087 0.000 0.728 282 K HN 0.190 nan 8.250 nan 0.000 0.454 283 L N -0.237 120.887 121.223 -0.166 0.000 2.575 283 L HA 0.057 4.377 4.340 -0.034 0.000 0.228 283 L C -0.008 176.701 176.870 -0.268 0.000 1.075 283 L CA 0.092 54.831 54.840 -0.168 0.000 0.867 283 L CB 0.397 42.376 42.059 -0.132 0.000 1.097 283 L HN 0.047 nan 8.230 nan 0.000 0.485 284 N N -0.096 118.322 118.700 -0.469 0.000 2.844 284 N HA 0.201 4.920 4.740 -0.034 0.000 0.268 284 N C -2.134 173.028 175.510 -0.579 0.000 1.574 284 N CA -1.057 51.532 53.050 -0.768 0.000 0.838 284 N CB 1.071 38.448 38.487 -1.850 0.000 1.177 284 N HN -0.086 nan 8.380 nan 0.000 0.495 285 P HA -0.147 nan 4.420 nan 0.000 0.223 285 P C 1.340 178.632 177.300 -0.013 0.000 1.144 285 P CA 1.187 64.233 63.100 -0.090 0.000 0.783 285 P CB 0.057 31.749 31.700 -0.013 0.000 0.771 286 H N -3.352 115.709 119.070 -0.016 0.000 2.436 286 H HA -0.041 4.494 4.556 -0.034 0.000 0.294 286 H C 0.253 175.723 175.328 0.238 0.000 1.048 286 H CA 0.104 56.210 56.048 0.098 0.000 1.353 286 H CB -1.113 28.717 29.762 0.114 0.000 1.414 286 H HN 0.054 nan 8.280 nan 0.000 0.536 287 W N 4.429 125.544 121.300 -0.307 0.000 2.223 287 W HA 0.027 4.666 4.660 -0.035 0.000 0.334 287 W C 0.620 177.114 176.519 -0.041 0.000 1.334 287 W CA -0.661 56.595 57.345 -0.148 0.000 1.246 287 W CB -0.349 29.005 29.460 -0.177 0.000 1.184 287 W HN 0.390 nan 8.180 nan 0.000 0.563 288 N N 0.514 119.336 118.700 0.204 0.000 2.294 288 N HA 0.305 5.025 4.740 -0.034 0.000 0.248 288 N C 1.336 176.913 175.510 0.113 0.000 1.300 288 N CA 0.193 53.318 53.050 0.125 0.000 0.925 288 N CB -0.181 38.357 38.487 0.085 0.000 1.188 288 N HN 0.389 nan 8.380 nan 0.000 0.512 289 G N -0.713 108.134 108.800 0.078 0.000 2.446 289 G HA2 -0.353 3.586 3.960 -0.034 0.000 0.217 289 G HA3 -0.353 3.586 3.960 -0.034 0.000 0.217 289 G C 1.261 176.214 174.900 0.089 0.000 1.168 289 G CA 1.155 46.299 45.100 0.073 0.000 0.771 289 G HN 0.724 nan 8.290 nan 0.000 0.551 290 E N 0.654 120.891 120.200 0.062 0.000 2.086 290 E HA -0.225 4.105 4.350 -0.034 0.000 0.205 290 E C 2.330 178.921 176.600 -0.016 0.000 1.027 290 E CA 1.894 58.329 56.400 0.057 0.000 0.830 290 E CB -0.260 29.459 29.700 0.031 0.000 0.751 290 E HN 0.386 nan 8.360 nan 0.000 0.456 291 K N -0.127 120.243 120.400 -0.050 0.000 2.032 291 K HA -0.090 4.209 4.320 -0.034 0.000 0.209 291 K C 2.184 178.712 176.600 -0.120 0.000 1.048 291 K CA 1.563 57.729 56.287 -0.202 0.000 0.927 291 K CB -0.506 31.793 32.500 -0.335 0.000 0.712 291 K HN 0.210 nan 8.250 nan 0.000 0.441 292 L N -0.326 120.961 121.223 0.106 0.000 1.989 292 L HA -0.226 4.094 4.340 -0.034 0.000 0.211 292 L C 2.398 179.309 176.870 0.068 0.000 1.071 292 L CA 1.830 56.772 54.840 0.171 0.000 0.749 292 L CB -0.775 41.382 42.059 0.164 0.000 0.890 292 L HN 0.278 nan 8.230 nan 0.000 0.431 293 Y N 0.711 120.986 120.300 -0.042 0.000 2.036 293 Y HA -0.320 4.210 4.550 -0.034 0.000 0.273 293 Y C 2.841 178.662 175.900 -0.132 0.000 1.135 293 Y CA 1.686 59.783 58.100 -0.006 0.000 1.106 293 Y CB -0.527 37.935 38.460 0.004 0.000 0.976 293 Y HN 0.122 nan 8.280 nan 0.000 0.483 294 Q N 0.487 119.999 119.800 -0.481 0.000 2.133 294 Q HA -0.226 4.094 4.340 -0.034 0.000 0.208 294 Q C 2.111 177.668 176.000 -0.738 0.000 0.991 294 Q CA 2.033 57.309 55.803 -0.878 0.000 0.867 294 Q CB -0.454 27.526 28.738 -1.262 0.000 0.911 294 Q HN 0.642 nan 8.270 nan 0.000 0.417 295 E N 0.115 120.039 120.200 -0.459 0.000 2.072 295 E HA -0.093 4.236 4.350 -0.034 0.000 0.191 295 E C 1.920 178.506 176.600 -0.025 0.000 0.985 295 E CA 1.023 57.362 56.400 -0.101 0.000 0.801 295 E CB -0.157 29.598 29.700 0.091 0.000 0.750 295 E HN 0.325 nan 8.360 nan 0.000 0.452 296 A N 1.698 124.461 122.820 -0.095 0.000 1.877 296 A HA -0.215 4.084 4.320 -0.034 0.000 0.216 296 A C 2.228 179.802 177.584 -0.016 0.000 1.186 296 A CA 1.832 53.804 52.037 -0.108 0.000 0.620 296 A CB -0.572 18.248 19.000 -0.299 0.000 0.822 296 A HN 0.164 nan 8.150 nan 0.000 0.443 297 R N -0.184 120.204 120.500 -0.187 0.000 2.105 297 R HA -0.160 4.160 4.340 -0.034 0.000 0.239 297 R C 2.216 178.386 176.300 -0.216 0.000 1.135 297 R CA 1.929 57.750 56.100 -0.466 0.000 0.967 297 R CB -0.264 29.247 30.300 -1.314 0.000 0.861 297 R HN 0.523 nan 8.270 nan 0.000 0.442 298 K N 0.143 120.476 120.400 -0.113 0.000 2.097 298 K HA -0.109 4.191 4.320 -0.034 0.000 0.205 298 K C 1.905 178.715 176.600 0.349 0.000 1.050 298 K CA 1.395 57.771 56.287 0.148 0.000 0.938 298 K CB -0.004 32.644 32.500 0.248 0.000 0.718 298 K HN 0.159 nan 8.250 nan 0.000 0.442 299 I N 0.848 121.558 120.570 0.233 0.000 2.353 299 I HA -0.218 3.932 4.170 -0.034 0.000 0.248 299 I C 2.067 178.238 176.117 0.090 0.000 1.119 299 I CA 0.485 61.851 61.300 0.110 0.000 1.417 299 I CB -0.192 37.740 38.000 -0.113 0.000 1.078 299 I HN 0.126 nan 8.210 nan 0.000 0.421 300 L N 0.871 122.164 121.223 0.117 0.000 2.027 300 L HA -0.027 4.293 4.340 -0.034 0.000 0.206 300 L C 2.435 179.461 176.870 0.260 0.000 1.074 300 L CA 2.100 57.046 54.840 0.177 0.000 0.745 300 L CB -1.409 40.788 42.059 0.229 0.000 0.898 300 L HN 0.252 nan 8.230 nan 0.000 0.433 301 G N -1.005 107.930 108.800 0.224 0.000 2.469 301 G HA2 -0.327 3.612 3.960 -0.034 0.000 0.219 301 G HA3 -0.327 3.612 3.960 -0.034 0.000 0.219 301 G C 1.615 176.614 174.900 0.166 0.000 1.150 301 G CA 1.013 46.238 45.100 0.207 0.000 0.763 301 G HN 0.632 nan 8.290 nan 0.000 0.561 302 A N 0.427 123.340 122.820 0.155 0.000 1.877 302 A HA 0.037 4.337 4.320 -0.034 0.000 0.216 302 A C 2.179 179.676 177.584 -0.145 0.000 1.186 302 A CA 1.670 53.700 52.037 -0.012 0.000 0.620 302 A CB -0.615 18.364 19.000 -0.035 0.000 0.822 302 A HN 0.457 nan 8.150 nan 0.000 0.443 303 F N 0.717 120.589 119.950 -0.130 0.000 2.065 303 F HA -0.235 4.273 4.527 -0.032 0.000 0.298 303 F C 1.991 177.815 175.800 0.040 0.000 1.112 303 F CA 2.089 60.027 58.000 -0.103 0.000 1.212 303 F CB -0.315 38.653 39.000 -0.052 0.000 0.975 303 F HN 0.197 nan 8.300 nan 0.000 0.476 304 I N 0.279 121.028 120.570 0.298 0.000 2.163 304 I HA -0.374 3.776 4.170 -0.034 0.000 0.243 304 I C 2.485 178.786 176.117 0.308 0.000 1.085 304 I CA 1.786 63.341 61.300 0.425 0.000 1.347 304 I CB -0.691 37.562 38.000 0.422 0.000 1.044 304 I HN 0.319 nan 8.210 nan 0.000 0.408 305 Q N 0.404 120.282 119.800 0.131 0.000 2.061 305 Q HA -0.206 4.114 4.340 -0.034 0.000 0.204 305 Q C 2.369 178.421 176.000 0.086 0.000 0.984 305 Q CA 1.649 57.509 55.803 0.096 0.000 0.846 305 Q CB -0.152 28.359 28.738 -0.378 0.000 0.902 305 Q HN 0.550 nan 8.270 nan 0.000 0.421 306 I N 0.527 120.933 120.570 -0.274 0.000 2.142 306 I HA -0.268 3.882 4.170 -0.034 0.000 0.240 306 I C 2.116 178.165 176.117 -0.114 0.000 1.078 306 I CA 0.773 61.892 61.300 -0.302 0.000 1.343 306 I CB -0.285 37.330 38.000 -0.642 0.000 1.046 306 I HN 0.230 nan 8.210 nan 0.000 0.405 307 I N 0.616 121.030 120.570 -0.260 0.000 2.264 307 I HA -0.256 3.893 4.170 -0.034 0.000 0.248 307 I C 2.547 178.668 176.117 0.006 0.000 1.111 307 I CA 1.822 62.955 61.300 -0.279 0.000 1.382 307 I CB -1.734 35.849 38.000 -0.696 0.000 1.060 307 I HN 0.282 nan 8.210 nan 0.000 0.418 308 T N 0.578 115.338 114.554 0.343 0.000 2.770 308 T HA -0.073 4.256 4.350 -0.034 0.000 0.263 308 T C 1.740 176.639 174.700 0.333 0.000 1.039 308 T CA 1.266 63.692 62.100 0.543 0.000 1.142 308 T CB -0.249 69.044 68.868 0.709 0.000 0.868 308 T HN 0.085 nan 8.240 nan 0.000 0.435 309 F N 0.703 120.805 119.950 0.253 0.000 2.387 309 F HA 0.314 4.820 4.527 -0.034 0.000 0.294 309 F C 2.517 178.413 175.800 0.160 0.000 1.093 309 F CA 0.279 58.427 58.000 0.246 0.000 1.420 309 F CB -0.085 39.186 39.000 0.452 0.000 1.086 309 F HN -0.088 nan 8.300 nan 0.000 0.531 310 R N 0.063 120.728 120.500 0.276 0.000 2.080 310 R HA -0.068 4.251 4.340 -0.034 0.000 0.222 310 R C 1.140 177.474 176.300 0.056 0.000 1.107 310 R CA 1.627 57.820 56.100 0.156 0.000 0.980 310 R CB -0.041 30.331 30.300 0.120 0.000 0.879 310 R HN 0.138 nan 8.270 nan 0.000 0.439 311 D N -1.275 119.123 120.400 -0.003 0.000 2.431 311 D HA -0.064 4.555 4.640 -0.034 0.000 0.235 311 D C 1.311 177.449 176.300 -0.269 0.000 0.980 311 D CA 0.614 54.561 54.000 -0.088 0.000 0.912 311 D CB -0.198 40.584 40.800 -0.030 0.000 1.056 311 D HN 0.146 nan 8.370 nan 0.000 0.494 312 Y N 1.787 121.837 120.300 -0.415 0.000 2.177 312 Y HA 0.081 4.613 4.550 -0.030 0.000 0.291 312 Y C 2.183 177.969 175.900 -0.189 0.000 1.117 312 Y CA 1.044 58.886 58.100 -0.429 0.000 1.114 312 Y CB -0.450 37.886 38.460 -0.207 0.000 1.017 312 Y HN -0.216 nan 8.280 nan 0.000 0.505 313 L N 0.431 121.500 121.223 -0.257 0.000 2.042 313 L HA -0.170 4.149 4.340 -0.034 0.000 0.210 313 L C -0.603 176.090 176.870 -0.296 0.000 1.076 313 L CA 1.424 56.015 54.840 -0.416 0.000 0.749 313 L CB -1.820 39.910 42.059 -0.548 0.000 0.893 313 L HN 0.234 nan 8.230 nan 0.000 0.432 314 P HA -0.158 nan 4.420 nan 0.000 0.220 314 P C 1.567 178.780 177.300 -0.145 0.000 1.148 314 P CA 1.340 64.368 63.100 -0.122 0.000 0.803 314 P CB -0.072 31.589 31.700 -0.065 0.000 0.782 315 I N -5.887 114.563 120.570 -0.199 0.000 3.860 315 I HA 0.053 4.202 4.170 -0.034 0.000 0.319 315 I C 1.399 177.399 176.117 -0.195 0.000 1.279 315 I CA 0.292 61.464 61.300 -0.214 0.000 1.220 315 I CB -0.297 37.542 38.000 -0.268 0.000 1.027 315 I HN -0.257 nan 8.210 nan 0.000 0.428 316 V N 1.526 121.312 119.914 -0.214 0.000 2.374 316 V HA -0.053 4.046 4.120 -0.034 0.000 0.241 316 V C 2.356 178.329 176.094 -0.202 0.000 1.034 316 V CA 1.461 63.643 62.300 -0.196 0.000 1.037 316 V CB -0.207 31.394 31.823 -0.371 0.000 0.682 316 V HN 0.397 nan 8.190 nan 0.000 0.463 317 L N -0.371 120.745 121.223 -0.179 0.000 2.270 317 L HA 0.280 4.599 4.340 -0.034 0.000 0.210 317 L C 1.765 178.607 176.870 -0.045 0.000 1.104 317 L CA 0.892 55.675 54.840 -0.095 0.000 0.804 317 L CB -0.926 41.105 42.059 -0.045 0.000 0.937 317 L HN 0.568 nan 8.230 nan 0.000 0.450 318 G N 0.961 109.720 108.800 -0.068 0.000 2.583 318 G HA2 -0.448 3.491 3.960 -0.034 0.000 0.292 318 G HA3 -0.448 3.491 3.960 -0.034 0.000 0.292 318 G C 0.926 175.814 174.900 -0.019 0.000 1.203 318 G CA 0.724 45.793 45.100 -0.052 0.000 0.987 318 G HN 0.420 nan 8.290 nan 0.000 0.554 319 S N 0.368 116.062 115.700 -0.009 0.000 2.547 319 S HA 0.090 4.539 4.470 -0.034 0.000 0.235 319 S C 1.509 176.122 174.600 0.022 0.000 0.980 319 S CA 1.909 60.109 58.200 0.000 0.000 0.941 319 S CB 0.093 63.291 63.200 -0.004 0.000 0.763 319 S HN 0.595 nan 8.310 nan 0.000 0.532 320 E N 0.201 120.438 120.200 0.063 0.000 2.452 320 E HA 0.165 4.495 4.350 -0.034 0.000 0.197 320 E C 1.449 178.164 176.600 0.191 0.000 1.022 320 E CA 0.068 56.558 56.400 0.151 0.000 0.890 320 E CB -0.187 29.688 29.700 0.291 0.000 0.918 320 E HN 0.536 nan 8.360 nan 0.000 0.496 321 M N 1.420 121.082 119.600 0.105 0.000 2.110 321 M HA -0.237 4.223 4.480 -0.034 0.000 0.257 321 M C 1.913 178.274 176.300 0.101 0.000 1.071 321 M CA 1.813 57.170 55.300 0.095 0.000 1.096 321 M CB -0.197 32.421 32.600 0.030 0.000 1.300 321 M HN -0.139 nan 8.290 nan 0.000 0.411 322 Q N -0.112 119.715 119.800 0.045 0.000 2.224 322 Q HA -0.179 4.140 4.340 -0.034 0.000 0.203 322 Q C 2.151 178.132 176.000 -0.032 0.000 0.970 322 Q CA 1.554 57.370 55.803 0.022 0.000 0.865 322 Q CB -0.624 28.115 28.738 0.002 0.000 0.922 322 Q HN 0.693 nan 8.270 nan 0.000 0.445 323 K N -0.325 120.010 120.400 -0.107 0.000 2.025 323 K HA -0.159 4.140 4.320 -0.034 0.000 0.207 323 K C 1.474 177.844 176.600 -0.382 0.000 1.049 323 K CA 1.302 57.393 56.287 -0.327 0.000 0.933 323 K CB -0.036 32.160 32.500 -0.508 0.000 0.714 323 K HN 0.180 nan 8.250 nan 0.000 0.438 324 W N 0.262 121.582 121.300 0.033 0.000 2.762 324 W HA 0.284 4.921 4.660 -0.038 0.000 0.265 324 W C 0.356 176.922 176.519 0.078 0.000 1.263 324 W CA -0.297 57.079 57.345 0.052 0.000 1.411 324 W CB 0.645 30.146 29.460 0.069 0.000 1.065 324 W HN -0.136 nan 8.180 nan 0.000 0.609 325 I N 2.166 122.896 120.570 0.265 0.000 2.782 325 I HA 0.196 4.346 4.170 -0.034 0.000 0.279 325 I C -2.230 173.993 176.117 0.176 0.000 1.247 325 I CA -1.772 59.673 61.300 0.242 0.000 1.062 325 I CB 0.459 38.613 38.000 0.257 0.000 1.421 325 I HN -0.431 nan 8.210 nan 0.000 0.558 326 P HA 0.367 nan 4.420 nan 0.000 0.277 326 P C -2.577 174.801 177.300 0.129 0.000 1.271 326 P CA -1.606 61.550 63.100 0.093 0.000 0.795 326 P CB -0.384 31.341 31.700 0.043 0.000 1.101 327 P HA -0.030 nan 4.420 nan 0.000 0.265 327 P C -0.310 177.089 177.300 0.164 0.000 1.187 327 P CA 0.417 63.609 63.100 0.153 0.000 0.766 327 P CB -0.167 31.601 31.700 0.113 0.000 0.820 328 Y N 2.927 123.259 120.300 0.054 0.000 2.578 328 Y HA -0.027 4.501 4.550 -0.035 0.000 0.339 328 Y C 1.263 177.160 175.900 -0.004 0.000 1.231 328 Y CA 0.864 58.963 58.100 -0.002 0.000 1.461 328 Y CB 0.563 39.018 38.460 -0.008 0.000 1.323 328 Y HN 0.376 nan 8.280 nan 0.000 0.590 329 Q N 4.054 123.537 119.800 -0.528 0.000 2.127 329 Q HA 0.320 4.639 4.340 -0.034 0.000 0.222 329 Q C 0.444 176.056 176.000 -0.648 0.000 0.794 329 Q CA 0.501 56.042 55.803 -0.436 0.000 1.010 329 Q CB 0.929 29.527 28.738 -0.232 0.000 1.170 329 Q HN 1.010 nan 8.270 nan 0.000 0.479 330 G N 1.449 109.392 108.800 -1.428 0.000 2.525 330 G HA2 -0.243 3.696 3.960 -0.034 0.000 0.685 330 G HA3 -0.243 3.696 3.960 -0.034 0.000 0.685 330 G C -1.436 173.239 174.900 -0.374 0.000 1.290 330 G CA -0.868 43.698 45.100 -0.890 0.000 0.915 330 G HN 0.138 nan 8.290 nan 0.000 0.548 331 Y N 1.832 122.064 120.300 -0.113 0.000 2.402 331 Y HA 0.574 5.103 4.550 -0.035 0.000 0.333 331 Y C 0.322 176.204 175.900 -0.030 0.000 1.076 331 Y CA -0.844 57.265 58.100 0.015 0.000 1.299 331 Y CB 0.920 39.410 38.460 0.050 0.000 1.197 331 Y HN 0.624 nan 8.280 nan 0.000 0.517 332 N N 5.392 123.790 118.700 -0.503 0.000 2.564 332 N HA 0.046 4.765 4.740 -0.034 0.000 0.248 332 N C 0.022 175.133 175.510 -0.665 0.000 0.986 332 N CA -0.474 52.274 53.050 -0.504 0.000 0.921 332 N CB 0.109 38.471 38.487 -0.207 0.000 1.136 332 N HN 0.835 nan 8.380 nan 0.000 0.509 333 N N 1.310 119.508 118.700 -0.837 0.000 2.609 333 N HA -0.065 4.655 4.740 -0.034 0.000 0.190 333 N C 0.181 175.614 175.510 -0.128 0.000 1.157 333 N CA 0.561 53.342 53.050 -0.448 0.000 0.918 333 N CB 0.039 38.368 38.487 -0.263 0.000 0.978 333 N HN 0.192 nan 8.380 nan 0.000 0.448 334 S N -0.678 114.947 115.700 -0.126 0.000 2.556 334 S HA 0.187 4.636 4.470 -0.034 0.000 0.216 334 S C 0.370 174.968 174.600 -0.002 0.000 0.970 334 S CA -0.503 57.672 58.200 -0.042 0.000 0.912 334 S CB 0.394 63.564 63.200 -0.050 0.000 0.790 334 S HN 0.128 nan 8.310 nan 0.000 0.504 335 V N 3.309 123.225 119.914 0.004 0.000 2.530 335 V HA 0.182 4.282 4.120 -0.034 0.000 0.282 335 V C 0.059 176.219 176.094 0.110 0.000 1.048 335 V CA -0.768 61.565 62.300 0.055 0.000 0.997 335 V CB 1.125 32.985 31.823 0.062 0.000 0.987 335 V HN 0.196 nan 8.190 nan 0.000 0.477 336 D N 7.565 128.033 120.400 0.114 0.000 2.336 336 D HA 0.199 4.818 4.640 -0.034 0.000 0.249 336 D C -1.253 175.129 176.300 0.137 0.000 1.213 336 D CA -2.006 52.078 54.000 0.139 0.000 0.870 336 D CB 1.588 42.483 40.800 0.159 0.000 1.076 336 D HN 0.281 nan 8.370 nan 0.000 0.483 337 P HA -0.004 nan 4.420 nan 0.000 0.241 337 P C -0.000 177.222 177.300 -0.130 0.000 1.191 337 P CA 0.023 63.136 63.100 0.022 0.000 0.771 337 P CB 0.340 32.089 31.700 0.081 0.000 0.929 338 R N 0.508 120.979 120.500 -0.048 0.000 2.623 338 R HA 0.169 4.488 4.340 -0.034 0.000 0.271 338 R C 0.663 176.897 176.300 -0.110 0.000 1.043 338 R CA -0.450 55.602 56.100 -0.079 0.000 1.083 338 R CB 0.267 30.569 30.300 0.003 0.000 0.974 338 R HN 0.038 nan 8.270 nan 0.000 0.436 339 I N 2.551 123.017 120.570 -0.174 0.000 2.556 339 I HA -0.047 4.103 4.170 -0.034 0.000 0.284 339 I C 1.100 177.075 176.117 -0.235 0.000 1.114 339 I CA 0.354 61.503 61.300 -0.251 0.000 1.418 339 I CB 0.620 38.523 38.000 -0.162 0.000 1.394 339 I HN 0.714 nan 8.210 nan 0.000 0.552 340 S N 5.343 120.767 115.700 -0.461 0.000 2.592 340 S HA 0.131 4.581 4.470 -0.034 0.000 0.271 340 S C 1.104 175.511 174.600 -0.322 0.000 1.326 340 S CA -0.592 57.228 58.200 -0.633 0.000 1.024 340 S CB 1.285 63.422 63.200 -1.771 0.000 0.921 340 S HN 0.635 nan 8.310 nan 0.000 0.527 341 N N 0.815 119.411 118.700 -0.174 0.000 2.069 341 N HA -0.138 4.581 4.740 -0.034 0.000 0.191 341 N C 1.684 177.209 175.510 0.024 0.000 1.031 341 N CA 1.512 54.583 53.050 0.035 0.000 0.852 341 N CB -0.673 37.927 38.487 0.188 0.000 1.018 341 N HN 0.548 nan 8.380 nan 0.000 0.423 342 V N 0.654 120.488 119.914 -0.132 0.000 2.343 342 V HA -0.194 3.905 4.120 -0.034 0.000 0.247 342 V C 2.110 178.090 176.094 -0.191 0.000 1.051 342 V CA 1.534 63.711 62.300 -0.206 0.000 1.036 342 V CB -0.758 30.570 31.823 -0.825 0.000 0.654 342 V HN 0.269 nan 8.190 nan 0.000 0.451 343 F N 1.951 121.624 119.950 -0.461 0.000 2.115 343 F HA -0.270 4.236 4.527 -0.036 0.000 0.300 343 F C 2.665 178.353 175.800 -0.186 0.000 1.092 343 F CA 2.549 60.354 58.000 -0.326 0.000 1.245 343 F CB -0.801 37.950 39.000 -0.415 0.000 0.995 343 F HN 0.408 nan 8.300 nan 0.000 0.481 344 T N -2.219 112.212 114.554 -0.206 0.000 2.977 344 T HA -0.201 4.128 4.350 -0.034 0.000 0.271 344 T C 1.722 176.040 174.700 -0.635 0.000 1.105 344 T CA 1.485 63.346 62.100 -0.399 0.000 1.116 344 T CB -1.067 67.544 68.868 -0.429 0.000 0.878 344 T HN 0.323 nan 8.240 nan 0.000 0.509 345 F N 1.419 121.288 119.950 -0.135 0.000 2.317 345 F HA 0.486 4.992 4.527 -0.035 0.000 0.290 345 F C 2.940 178.750 175.800 0.018 0.000 1.075 345 F CA 0.167 58.136 58.000 -0.052 0.000 1.380 345 F CB -0.747 38.241 39.000 -0.019 0.000 1.093 345 F HN 0.189 nan 8.300 nan 0.000 0.524 346 A N 0.215 123.057 122.820 0.037 0.000 1.917 346 A HA -0.255 4.045 4.320 -0.034 0.000 0.219 346 A C 1.999 179.657 177.584 0.122 0.000 1.182 346 A CA 1.489 53.545 52.037 0.032 0.000 0.633 346 A CB -1.201 17.749 19.000 -0.083 0.000 0.819 346 A HN 0.387 nan 8.150 nan 0.000 0.448 347 F N 0.606 120.323 119.950 -0.388 0.000 2.748 347 F HA 0.091 4.597 4.527 -0.035 0.000 0.299 347 F C 1.873 177.350 175.800 -0.538 0.000 1.154 347 F CA 0.198 57.912 58.000 -0.476 0.000 1.446 347 F CB -0.468 38.036 39.000 -0.826 0.000 1.112 347 F HN 0.204 nan 8.300 nan 0.000 0.584 348 R N -0.130 120.275 120.500 -0.158 0.000 2.339 348 R HA -0.132 4.188 4.340 -0.034 0.000 0.199 348 R C 1.911 178.182 176.300 -0.049 0.000 1.018 348 R CA 0.644 56.547 56.100 -0.328 0.000 1.036 348 R CB -0.802 29.409 30.300 -0.147 0.000 0.899 348 R HN 0.396 nan 8.270 nan 0.000 0.473 349 F N -1.018 118.997 119.950 0.107 0.000 2.307 349 F HA -0.006 4.502 4.527 -0.032 0.000 0.301 349 F C 1.905 177.759 175.800 0.090 0.000 1.076 349 F CA 0.886 58.945 58.000 0.098 0.000 1.383 349 F CB -1.012 38.029 39.000 0.067 0.000 1.055 349 F HN -0.124 nan 8.300 nan 0.000 0.526 350 G N 0.025 108.423 108.800 -0.671 0.000 2.450 350 G HA2 -0.285 3.654 3.960 -0.034 0.000 0.220 350 G HA3 -0.285 3.654 3.960 -0.034 0.000 0.220 350 G C 1.251 176.143 174.900 -0.013 0.000 1.130 350 G CA 1.149 45.987 45.100 -0.437 0.000 0.760 350 G HN 0.645 nan 8.290 nan 0.000 0.557 351 H N -0.415 118.703 119.070 0.080 0.000 2.489 351 H HA 0.100 4.636 4.556 -0.034 0.000 0.293 351 H C 2.391 177.864 175.328 0.241 0.000 1.066 351 H CA 0.713 56.863 56.048 0.170 0.000 1.305 351 H CB 0.005 29.904 29.762 0.227 0.000 1.386 351 H HN 0.340 nan 8.280 nan 0.000 0.551 352 M N 0.139 119.959 119.600 0.367 0.000 2.556 352 M HA -0.024 4.435 4.480 -0.034 0.000 0.245 352 M C 0.791 177.243 176.300 0.253 0.000 1.128 352 M CA 0.918 56.395 55.300 0.296 0.000 1.069 352 M CB 0.343 33.084 32.600 0.235 0.000 1.469 352 M HN 0.316 nan 8.290 nan 0.000 0.494 353 E N 0.184 120.534 120.200 0.251 0.000 2.481 353 E HA 0.109 4.439 4.350 -0.034 0.000 0.198 353 E C -0.112 176.614 176.600 0.210 0.000 1.027 353 E CA -0.113 56.433 56.400 0.243 0.000 0.900 353 E CB 0.771 30.629 29.700 0.264 0.000 0.993 353 E HN 0.170 nan 8.360 nan 0.000 0.482 354 V N 4.682 124.719 119.914 0.205 0.000 2.432 354 V HA 0.159 4.258 4.120 -0.034 0.000 0.271 354 V C -1.782 174.424 176.094 0.187 0.000 1.046 354 V CA -1.523 60.886 62.300 0.181 0.000 0.945 354 V CB 0.676 32.607 31.823 0.181 0.000 0.992 354 V HN 0.057 nan 8.190 nan 0.000 0.471 355 P HA 0.200 nan 4.420 nan 0.000 0.279 355 P C 0.669 178.051 177.300 0.136 0.000 1.276 355 P CA -0.438 62.755 63.100 0.156 0.000 0.801 355 P CB 1.208 32.986 31.700 0.131 0.000 1.127 356 S N -1.617 114.162 115.700 0.131 0.000 2.522 356 S HA 0.042 4.492 4.470 -0.034 0.000 0.227 356 S C 0.844 175.482 174.600 0.064 0.000 0.986 356 S CA 0.667 58.930 58.200 0.106 0.000 0.929 356 S CB -1.107 62.155 63.200 0.103 0.000 0.769 356 S HN 0.763 nan 8.310 nan 0.000 0.529 357 T N -1.534 113.051 114.554 0.052 0.000 2.896 357 T HA 0.736 5.065 4.350 -0.034 0.000 0.297 357 T C -1.020 173.685 174.700 0.009 0.000 1.108 357 T CA -0.792 61.318 62.100 0.017 0.000 1.004 357 T CB 1.810 70.693 68.868 0.026 0.000 1.159 357 T HN -0.001 nan 8.240 nan 0.000 0.499 358 V N 1.450 121.350 119.914 -0.023 0.000 2.604 358 V HA 0.734 4.834 4.120 -0.034 0.000 0.305 358 V C -0.203 175.879 176.094 -0.021 0.000 1.043 358 V CA -0.687 61.598 62.300 -0.025 0.000 0.888 358 V CB 2.123 33.909 31.823 -0.062 0.000 0.995 358 V HN 1.123 nan 8.190 nan 0.000 0.429 359 S N 3.007 118.704 115.700 -0.006 0.000 2.536 359 S HA 0.749 5.199 4.470 -0.034 0.000 0.298 359 S C -0.610 173.980 174.600 -0.017 0.000 1.083 359 S CA -0.784 57.419 58.200 0.006 0.000 0.995 359 S CB 1.737 64.954 63.200 0.028 0.000 1.058 359 S HN 0.665 nan 8.310 nan 0.000 0.488 360 R N 1.579 122.082 120.500 0.004 0.000 2.393 360 R HA 0.716 5.035 4.340 -0.034 0.000 0.310 360 R C -0.944 175.365 176.300 0.015 0.000 0.968 360 R CA -0.249 55.821 56.100 -0.050 0.000 0.867 360 R CB 0.723 31.011 30.300 -0.021 0.000 1.124 360 R HN 0.476 nan 8.270 nan 0.000 0.450 361 L N 1.495 122.640 121.223 -0.130 0.000 2.301 361 L HA 0.561 4.880 4.340 -0.034 0.000 0.264 361 L C -0.323 176.432 176.870 -0.192 0.000 1.016 361 L CA -1.207 53.560 54.840 -0.122 0.000 0.821 361 L CB 1.972 43.889 42.059 -0.235 0.000 1.346 361 L HN 0.680 nan 8.230 nan 0.000 0.429 362 D N -0.854 119.493 120.400 -0.088 0.000 2.478 362 D HA 0.144 4.764 4.640 -0.034 0.000 0.263 362 D C 0.496 176.640 176.300 -0.260 0.000 1.153 362 D CA -0.548 53.431 54.000 -0.035 0.000 1.038 362 D CB 0.702 41.578 40.800 0.126 0.000 1.120 362 D HN 0.405 nan 8.370 nan 0.000 0.564 363 E N -0.999 119.133 120.200 -0.114 0.000 2.219 363 E HA -0.153 4.177 4.350 -0.034 0.000 0.198 363 E C 0.569 177.157 176.600 -0.020 0.000 0.998 363 E CA 1.276 57.631 56.400 -0.074 0.000 0.818 363 E CB -0.379 29.341 29.700 0.033 0.000 0.741 363 E HN 0.447 nan 8.360 nan 0.000 0.477 364 N N -0.855 117.838 118.700 -0.012 0.000 2.268 364 N HA 0.097 4.816 4.740 -0.034 0.000 0.204 364 N C -0.853 174.601 175.510 -0.093 0.000 1.124 364 N CA -0.076 53.020 53.050 0.076 0.000 0.838 364 N CB 0.093 38.663 38.487 0.137 0.000 0.994 364 N HN 0.107 nan 8.380 nan 0.000 0.489 365 Y N 0.023 120.031 120.300 -0.487 0.000 3.168 365 Y HA -0.292 4.239 4.550 -0.031 0.000 0.207 365 Y C -0.049 175.734 175.900 -0.196 0.000 1.280 365 Y CA 0.323 58.135 58.100 -0.481 0.000 1.235 365 Y CB -1.497 36.383 38.460 -0.967 0.000 1.370 365 Y HN 0.242 nan 8.280 nan 0.000 0.537 366 Q N -0.149 119.640 119.800 -0.018 0.000 2.351 366 Q HA 0.451 4.770 4.340 -0.034 0.000 0.273 366 Q C -2.274 173.754 176.000 0.046 0.000 1.077 366 Q CA -2.189 53.633 55.803 0.032 0.000 0.843 366 Q CB 1.520 30.283 28.738 0.042 0.000 1.367 366 Q HN -0.099 nan 8.270 nan 0.000 0.449 367 P HA -0.142 nan 4.420 nan 0.000 0.263 367 P C -0.910 176.459 177.300 0.116 0.000 1.168 367 P CA 0.598 63.743 63.100 0.076 0.000 0.759 367 P CB 0.250 31.976 31.700 0.043 0.000 0.782 368 W N 5.190 126.458 121.300 -0.053 0.000 2.288 368 W HA 0.492 5.131 4.660 -0.034 0.000 0.325 368 W C 0.601 177.098 176.519 -0.036 0.000 1.019 368 W CA 1.181 58.494 57.345 -0.053 0.000 1.403 368 W CB 0.158 29.576 29.460 -0.069 0.000 1.226 368 W HN 0.836 nan 8.180 nan 0.000 0.391 369 G N 5.792 114.356 108.800 -0.392 0.000 2.681 369 G HA2 -0.271 3.668 3.960 -0.034 0.000 0.220 369 G HA3 -0.271 3.668 3.960 -0.034 0.000 0.220 369 G C -1.905 172.907 174.900 -0.146 0.000 1.353 369 G CA -0.334 44.548 45.100 -0.362 0.000 0.872 369 G HN 0.356 nan 8.290 nan 0.000 0.557 370 P HA 0.238 nan 4.420 nan 0.000 0.226 370 P C 0.890 178.178 177.300 -0.020 0.000 1.161 370 P CA 1.113 64.180 63.100 -0.056 0.000 0.804 370 P CB 0.266 31.934 31.700 -0.055 0.000 0.829 371 E N -0.710 119.486 120.200 -0.008 0.000 2.511 371 E HA 0.338 4.667 4.350 -0.034 0.000 0.214 371 E C 1.417 178.042 176.600 0.042 0.000 1.062 371 E CA -0.270 56.140 56.400 0.018 0.000 1.213 371 E CB -0.472 29.244 29.700 0.026 0.000 1.214 371 E HN 0.040 nan 8.360 nan 0.000 0.441 372 A N 0.695 123.547 122.820 0.054 0.000 1.908 372 A HA -0.195 4.105 4.320 -0.034 0.000 0.218 372 A C 1.210 178.831 177.584 0.061 0.000 1.181 372 A CA 1.111 53.207 52.037 0.098 0.000 0.627 372 A CB -0.050 19.007 19.000 0.095 0.000 0.818 372 A HN 0.335 nan 8.150 nan 0.000 0.445 373 E N -0.400 119.820 120.200 0.034 0.000 2.175 373 E HA 0.587 4.917 4.350 -0.034 0.000 0.278 373 E C -1.406 175.192 176.600 -0.005 0.000 0.969 373 E CA -0.449 55.961 56.400 0.016 0.000 0.796 373 E CB 0.620 30.334 29.700 0.023 0.000 1.104 373 E HN 0.388 nan 8.360 nan 0.000 0.395 374 L N 5.347 126.551 121.223 -0.032 0.000 2.370 374 L HA 0.517 4.837 4.340 -0.034 0.000 0.266 374 L C -2.342 174.476 176.870 -0.086 0.000 1.002 374 L CA -2.588 52.210 54.840 -0.069 0.000 0.818 374 L CB 2.183 44.176 42.059 -0.110 0.000 1.325 374 L HN 0.508 nan 8.230 nan 0.000 0.418 375 P HA 0.056 nan 4.420 nan 0.000 0.271 375 P C 0.462 177.640 177.300 -0.203 0.000 1.216 375 P CA -0.414 62.628 63.100 -0.096 0.000 0.771 375 P CB 0.832 32.498 31.700 -0.058 0.000 0.864 376 L N 4.306 125.450 121.223 -0.132 0.000 2.051 376 L HA -0.244 4.075 4.340 -0.034 0.000 0.214 376 L C 2.321 178.845 176.870 -0.575 0.000 1.076 376 L CA 1.982 56.668 54.840 -0.257 0.000 0.758 376 L CB -1.290 40.708 42.059 -0.102 0.000 0.890 376 L HN 0.559 nan 8.230 nan 0.000 0.433 377 H N -1.845 117.005 119.070 -0.366 0.000 2.489 377 H HA -0.089 4.446 4.556 -0.035 0.000 0.293 377 H C 1.640 176.860 175.328 -0.180 0.000 1.066 377 H CA 1.484 57.323 56.048 -0.348 0.000 1.305 377 H CB -0.994 28.898 29.762 0.215 0.000 1.386 377 H HN 0.548 nan 8.280 nan 0.000 0.551 378 T N -1.069 113.058 114.554 -0.712 0.000 3.160 378 T HA 0.137 4.466 4.350 -0.034 0.000 0.257 378 T C 1.630 176.178 174.700 -0.254 0.000 1.147 378 T CA 0.142 61.986 62.100 -0.427 0.000 1.064 378 T CB -0.338 68.278 68.868 -0.420 0.000 0.949 378 T HN 0.375 nan 8.240 nan 0.000 0.526 379 L N -0.653 120.346 121.223 -0.374 0.000 2.858 379 L HA 0.469 4.789 4.340 -0.034 0.000 0.251 379 L C -0.389 176.354 176.870 -0.210 0.000 1.149 379 L CA -0.653 53.999 54.840 -0.313 0.000 0.955 379 L CB 0.148 42.012 42.059 -0.325 0.000 1.289 379 L HN 0.140 nan 8.230 nan 0.000 0.542 380 F N 0.372 120.338 119.950 0.027 0.000 2.495 380 F HA 0.207 4.713 4.527 -0.035 0.000 0.365 380 F C 0.754 176.594 175.800 0.066 0.000 1.090 380 F CA -0.658 57.344 58.000 0.004 0.000 1.235 380 F CB -0.235 38.870 39.000 0.176 0.000 1.119 380 F HN -0.055 nan 8.300 nan 0.000 0.562 381 F N 0.445 120.514 119.950 0.199 0.000 3.093 381 F HA -0.320 4.187 4.527 -0.033 0.000 0.287 381 F C 0.541 176.335 175.800 -0.009 0.000 0.882 381 F CA 0.250 58.300 58.000 0.084 0.000 1.063 381 F CB -1.456 37.625 39.000 0.136 0.000 1.097 381 F HN 0.496 nan 8.300 nan 0.000 0.604 382 N N 0.671 119.384 118.700 0.023 0.000 2.527 382 N HA 0.248 4.967 4.740 -0.034 0.000 0.236 382 N C 0.996 176.394 175.510 -0.186 0.000 0.999 382 N CA 0.692 53.685 53.050 -0.095 0.000 0.935 382 N CB 1.021 39.374 38.487 -0.223 0.000 1.132 382 N HN 0.275 nan 8.380 nan 0.000 0.511 383 T N -0.219 114.226 114.554 -0.182 0.000 3.015 383 T HA 0.014 4.343 4.350 -0.034 0.000 0.250 383 T C 1.886 176.482 174.700 -0.173 0.000 1.057 383 T CA -0.348 61.578 62.100 -0.289 0.000 1.066 383 T CB -0.307 68.164 68.868 -0.661 0.000 0.959 383 T HN 0.631 nan 8.240 nan 0.000 0.488 384 W N 2.571 123.787 121.300 -0.140 0.000 2.363 384 W HA 0.001 4.642 4.660 -0.033 0.000 0.296 384 W C 1.570 178.061 176.519 -0.047 0.000 1.212 384 W CA 0.262 57.548 57.345 -0.097 0.000 1.260 384 W CB -0.769 28.632 29.460 -0.099 0.000 1.131 384 W HN 0.088 nan 8.180 nan 0.000 0.530 385 R N 0.981 120.940 120.500 -0.901 0.000 2.152 385 R HA -0.081 4.239 4.340 -0.034 0.000 0.232 385 R C 2.114 178.241 176.300 -0.290 0.000 1.117 385 R CA 1.455 57.080 56.100 -0.792 0.000 0.981 385 R CB -0.577 29.167 30.300 -0.928 0.000 0.870 385 R HN 0.412 nan 8.270 nan 0.000 0.451 386 I N 0.019 120.477 120.570 -0.186 0.000 2.235 386 I HA -0.205 3.945 4.170 -0.034 0.000 0.241 386 I C 2.314 178.441 176.117 0.015 0.000 1.085 386 I CA 1.075 62.340 61.300 -0.059 0.000 1.378 386 I CB -0.204 37.808 38.000 0.019 0.000 1.076 386 I HN -0.005 nan 8.210 nan 0.000 0.415 387 I N 0.673 121.238 120.570 -0.008 0.000 2.163 387 I HA -0.235 3.915 4.170 -0.034 0.000 0.240 387 I C 1.937 178.152 176.117 0.163 0.000 1.081 387 I CA 1.555 62.883 61.300 0.046 0.000 1.353 387 I CB -0.239 37.754 38.000 -0.011 0.000 1.054 387 I HN 0.123 nan 8.210 nan 0.000 0.407 388 K N -0.257 120.253 120.400 0.183 0.000 2.444 388 K HA -0.022 4.277 4.320 -0.034 0.000 0.193 388 K C 0.144 176.888 176.600 0.241 0.000 1.024 388 K CA 0.311 56.739 56.287 0.235 0.000 1.077 388 K CB 0.230 32.911 32.500 0.303 0.000 0.833 388 K HN 0.070 nan 8.250 nan 0.000 0.517 389 D N -0.220 120.289 120.400 0.182 0.000 2.819 389 D HA 0.142 4.761 4.640 -0.034 0.000 0.326 389 D C 0.147 176.568 176.300 0.202 0.000 1.408 389 D CA 0.037 54.174 54.000 0.229 0.000 0.811 389 D CB 0.690 41.565 40.800 0.124 0.000 1.148 389 D HN 0.246 nan 8.370 nan 0.000 0.457 390 G N -0.102 108.789 108.800 0.151 0.000 2.145 390 G HA2 0.163 4.103 3.960 -0.034 0.000 0.145 390 G HA3 0.163 4.103 3.960 -0.034 0.000 0.145 390 G C 0.847 175.686 174.900 -0.102 0.000 1.017 390 G CA 0.089 45.183 45.100 -0.010 0.000 0.682 390 G HN 0.897 nan 8.290 nan 0.000 0.504 391 G N -0.253 108.578 108.800 0.051 0.000 2.641 391 G HA2 -0.072 3.868 3.960 -0.034 0.000 0.254 391 G HA3 -0.072 3.868 3.960 -0.034 0.000 0.254 391 G C 1.162 176.055 174.900 -0.011 0.000 1.315 391 G CA 0.880 46.051 45.100 0.118 0.000 0.907 391 G HN 1.790 nan 8.290 nan 0.000 0.572 392 I N -2.964 117.614 120.570 0.013 0.000 3.226 392 I HA 0.242 4.391 4.170 -0.034 0.000 0.277 392 I C 1.712 177.761 176.117 -0.113 0.000 1.243 392 I CA 1.570 62.849 61.300 -0.036 0.000 1.459 392 I CB -0.154 37.852 38.000 0.010 0.000 1.093 392 I HN 0.336 nan 8.210 nan 0.000 0.453 393 D N 2.832 123.143 120.400 -0.148 0.000 2.106 393 D HA -0.123 4.496 4.640 -0.034 0.000 0.191 393 D C -0.472 175.670 176.300 -0.263 0.000 0.997 393 D CA 1.951 55.843 54.000 -0.180 0.000 0.834 393 D CB -1.461 39.245 40.800 -0.156 0.000 0.956 393 D HN 0.351 nan 8.370 nan 0.000 0.448 394 P HA -0.051 nan 4.420 nan 0.000 0.218 394 P C 1.433 178.550 177.300 -0.305 0.000 1.149 394 P CA 0.772 63.569 63.100 -0.506 0.000 0.817 394 P CB 0.073 31.209 31.700 -0.939 0.000 0.785 395 L N -1.254 119.830 121.223 -0.232 0.000 2.056 395 L HA -0.120 4.199 4.340 -0.034 0.000 0.207 395 L C 2.274 179.104 176.870 -0.067 0.000 1.078 395 L CA 1.197 55.960 54.840 -0.128 0.000 0.749 395 L CB -1.038 40.960 42.059 -0.103 0.000 0.901 395 L HN -0.144 nan 8.230 nan 0.000 0.433 396 V N -0.125 119.754 119.914 -0.058 0.000 2.407 396 V HA -0.269 3.831 4.120 -0.034 0.000 0.248 396 V C 2.563 178.682 176.094 0.041 0.000 1.055 396 V CA 1.677 63.984 62.300 0.012 0.000 1.049 396 V CB -0.777 31.060 31.823 0.023 0.000 0.662 396 V HN 0.437 nan 8.190 nan 0.000 0.455 397 R N 0.440 120.912 120.500 -0.046 0.000 2.092 397 R HA -0.050 4.269 4.340 -0.034 0.000 0.231 397 R C 2.554 178.918 176.300 0.107 0.000 1.119 397 R CA 1.353 57.439 56.100 -0.024 0.000 0.970 397 R CB -0.833 29.145 30.300 -0.537 0.000 0.864 397 R HN 0.575 nan 8.270 nan 0.000 0.440 398 G N 1.647 110.455 108.800 0.012 0.000 2.418 398 G HA2 -0.234 3.705 3.960 -0.034 0.000 0.217 398 G HA3 -0.234 3.705 3.960 -0.034 0.000 0.217 398 G C 1.493 176.444 174.900 0.086 0.000 1.158 398 G CA 0.414 45.545 45.100 0.051 0.000 0.771 398 G HN 0.118 nan 8.290 nan 0.000 0.545 399 L N -0.194 121.068 121.223 0.066 0.000 2.081 399 L HA -0.096 4.223 4.340 -0.034 0.000 0.212 399 L C 2.917 179.826 176.870 0.064 0.000 1.080 399 L CA 0.782 55.653 54.840 0.052 0.000 0.754 399 L CB -0.277 41.797 42.059 0.026 0.000 0.893 399 L HN 0.230 nan 8.230 nan 0.000 0.433 400 L N -1.159 120.149 121.223 0.142 0.000 2.068 400 L HA -0.093 4.227 4.340 -0.034 0.000 0.204 400 L C 2.557 179.582 176.870 0.259 0.000 1.076 400 L CA 1.161 56.115 54.840 0.190 0.000 0.753 400 L CB -0.479 41.802 42.059 0.371 0.000 0.910 400 L HN 0.204 nan 8.230 nan 0.000 0.439 401 A N -1.432 121.583 122.820 0.324 0.000 2.169 401 A HA 0.092 4.392 4.320 -0.034 0.000 0.210 401 A C 0.982 178.681 177.584 0.192 0.000 1.168 401 A CA 0.256 52.476 52.037 0.304 0.000 0.813 401 A CB 0.159 19.351 19.000 0.320 0.000 0.861 401 A HN 0.028 nan 8.150 nan 0.000 0.481 402 K N 0.627 121.118 120.400 0.153 0.000 2.132 402 K HA 0.534 4.833 4.320 -0.034 0.000 0.241 402 K C -0.608 176.061 176.600 0.114 0.000 1.000 402 K CA -0.262 56.096 56.287 0.118 0.000 0.911 402 K CB 0.775 33.333 32.500 0.096 0.000 1.093 402 K HN 0.196 nan 8.250 nan 0.000 0.460 403 K N 0.307 120.771 120.400 0.108 0.000 2.221 403 K HA 0.379 4.679 4.320 -0.034 0.000 0.243 403 K C -0.132 176.550 176.600 0.137 0.000 0.968 403 K CA -0.630 55.726 56.287 0.114 0.000 0.846 403 K CB 1.563 34.120 32.500 0.095 0.000 1.141 403 K HN 0.363 nan 8.250 nan 0.000 0.434 404 S N 0.986 116.791 115.700 0.175 0.000 2.603 404 S HA 0.079 4.528 4.470 -0.034 0.000 0.268 404 S C -0.111 174.598 174.600 0.181 0.000 1.317 404 S CA -0.506 57.824 58.200 0.217 0.000 1.012 404 S CB 0.661 64.074 63.200 0.354 0.000 0.926 404 S HN 0.391 nan 8.310 nan 0.000 0.539 405 K N 1.113 121.623 120.400 0.184 0.000 2.382 405 K HA 0.154 4.453 4.320 -0.034 0.000 0.275 405 K C -0.608 176.092 176.600 0.167 0.000 1.009 405 K CA -0.403 55.982 56.287 0.163 0.000 0.970 405 K CB 0.238 32.844 32.500 0.177 0.000 0.934 405 K HN 0.396 nan 8.250 nan 0.000 0.479 406 L N 5.233 126.525 121.223 0.114 0.000 2.292 406 L HA 0.208 4.527 4.340 -0.034 0.000 0.284 406 L C 0.078 176.993 176.870 0.074 0.000 1.065 406 L CA -0.147 54.750 54.840 0.096 0.000 0.806 406 L CB 1.209 43.297 42.059 0.048 0.000 1.175 406 L HN 0.715 nan 8.230 nan 0.000 0.431 407 M N 5.066 124.723 119.600 0.095 0.000 2.249 407 M HA 0.102 4.562 4.480 -0.034 0.000 0.340 407 M C -0.941 175.360 176.300 0.001 0.000 1.166 407 M CA 0.694 56.030 55.300 0.059 0.000 1.115 407 M CB 0.062 32.708 32.600 0.076 0.000 1.606 407 M HN 0.815 nan 8.290 nan 0.000 0.448 408 N N 3.472 122.150 118.700 -0.037 0.000 2.425 408 N HA 0.199 4.918 4.740 -0.034 0.000 0.289 408 N C -0.267 175.202 175.510 -0.069 0.000 1.074 408 N CA -0.235 52.775 53.050 -0.068 0.000 0.905 408 N CB 1.379 39.792 38.487 -0.122 0.000 1.586 408 N HN 0.719 nan 8.380 nan 0.000 0.490 409 Q N 0.647 120.416 119.800 -0.053 0.000 2.364 409 Q HA -0.053 4.267 4.340 -0.034 0.000 0.209 409 Q C -0.063 175.914 176.000 -0.038 0.000 0.977 409 Q CA 1.265 57.041 55.803 -0.046 0.000 0.885 409 Q CB 0.354 29.069 28.738 -0.039 0.000 0.941 409 Q HN 0.574 nan 8.270 nan 0.000 0.464 410 D N -0.339 120.029 120.400 -0.054 0.000 2.389 410 D HA 0.053 4.672 4.640 -0.034 0.000 0.206 410 D C -0.025 176.221 176.300 -0.091 0.000 1.055 410 D CA 0.524 54.499 54.000 -0.042 0.000 0.856 410 D CB 0.532 41.312 40.800 -0.034 0.000 0.957 410 D HN 0.057 nan 8.370 nan 0.000 0.509 411 K N 0.769 121.032 120.400 -0.230 0.000 2.827 411 K HA 0.354 4.653 4.320 -0.034 0.000 0.186 411 K C 0.703 177.077 176.600 -0.377 0.000 1.093 411 K CA -0.079 55.810 56.287 -0.663 0.000 0.993 411 K CB 1.488 33.306 32.500 -1.138 0.000 1.199 411 K HN -0.139 nan 8.250 nan 0.000 0.598 412 M N 0.055 119.667 119.600 0.019 0.000 2.115 412 M HA 0.037 4.496 4.480 -0.034 0.000 0.261 412 M C 0.482 176.952 176.300 0.284 0.000 1.079 412 M CA 1.077 56.453 55.300 0.126 0.000 1.143 412 M CB 0.419 33.090 32.600 0.118 0.000 1.332 412 M HN 0.026 nan 8.290 nan 0.000 0.421 413 V N 0.327 120.503 119.914 0.437 0.000 2.525 413 V HA 0.176 4.275 4.120 -0.034 0.000 0.299 413 V C -0.067 176.273 176.094 0.411 0.000 1.034 413 V CA -0.892 61.658 62.300 0.417 0.000 0.863 413 V CB 1.625 33.672 31.823 0.374 0.000 0.999 413 V HN 0.256 nan 8.190 nan 0.000 0.423 414 T N 2.847 117.621 114.554 0.366 0.000 2.946 414 T HA -0.010 4.319 4.350 -0.034 0.000 0.312 414 T C 1.409 176.123 174.700 0.023 0.000 1.066 414 T CA 0.645 62.817 62.100 0.119 0.000 1.138 414 T CB 0.707 69.683 68.868 0.181 0.000 1.014 414 T HN 0.799 nan 8.240 nan 0.000 0.544 415 S N 3.247 118.871 115.700 -0.126 0.000 2.500 415 S HA -0.066 4.384 4.470 -0.034 0.000 0.239 415 S C 1.886 176.516 174.600 0.049 0.000 0.989 415 S CA 0.470 58.638 58.200 -0.053 0.000 0.951 415 S CB -0.137 62.993 63.200 -0.117 0.000 0.759 415 S HN 0.707 nan 8.310 nan 0.000 0.523 416 E N 1.115 121.379 120.200 0.106 0.000 2.153 416 E HA -0.056 4.274 4.350 -0.034 0.000 0.194 416 E C 1.683 178.497 176.600 0.357 0.000 0.988 416 E CA 0.835 57.375 56.400 0.233 0.000 0.811 416 E CB -0.153 29.685 29.700 0.229 0.000 0.746 416 E HN 0.506 nan 8.360 nan 0.000 0.466 417 L N -0.655 120.722 121.223 0.258 0.000 2.470 417 L HA 0.166 4.485 4.340 -0.034 0.000 0.219 417 L C 2.526 179.464 176.870 0.113 0.000 1.071 417 L CA 0.061 55.018 54.840 0.194 0.000 0.850 417 L CB 0.052 42.189 42.059 0.130 0.000 1.040 417 L HN -0.071 nan 8.230 nan 0.000 0.475 418 R N -0.010 120.557 120.500 0.112 0.000 2.173 418 R HA 0.026 4.345 4.340 -0.034 0.000 0.208 418 R C 1.249 177.592 176.300 0.072 0.000 1.035 418 R CA 0.817 56.972 56.100 0.091 0.000 1.004 418 R CB 0.352 30.712 30.300 0.099 0.000 0.917 418 R HN 0.327 nan 8.270 nan 0.000 0.462 419 N N -0.604 118.135 118.700 0.065 0.000 2.239 419 N HA 0.059 4.779 4.740 -0.034 0.000 0.208 419 N C 0.068 175.621 175.510 0.071 0.000 1.200 419 N CA 0.342 53.415 53.050 0.037 0.000 0.895 419 N CB 0.945 39.422 38.487 -0.017 0.000 1.085 419 N HN 0.051 nan 8.380 nan 0.000 0.500 420 K N 0.620 121.104 120.400 0.141 0.000 2.506 420 K HA 0.234 4.533 4.320 -0.034 0.000 0.204 420 K C -0.206 176.655 176.600 0.435 0.000 1.045 420 K CA -0.358 56.063 56.287 0.224 0.000 1.074 420 K CB 1.043 33.581 32.500 0.064 0.000 0.842 420 K HN -0.086 nan 8.250 nan 0.000 0.514 421 L N 1.691 123.087 121.223 0.289 0.000 2.499 421 L HA 0.117 4.437 4.340 -0.034 0.000 0.273 421 L C -0.470 176.509 176.870 0.181 0.000 1.195 421 L CA 0.259 55.142 54.840 0.073 0.000 0.882 421 L CB 0.079 42.100 42.059 -0.063 0.000 1.133 421 L HN 0.027 nan 8.230 nan 0.000 0.483 422 F N 5.031 124.879 119.950 -0.170 0.000 2.420 422 F HA 0.445 4.951 4.527 -0.035 0.000 0.342 422 F C -0.197 175.563 175.800 -0.067 0.000 1.113 422 F CA -0.226 57.724 58.000 -0.083 0.000 1.059 422 F CB 0.739 39.591 39.000 -0.247 0.000 1.128 422 F HN 0.492 nan 8.300 nan 0.000 0.475 423 Q N 7.032 126.409 119.800 -0.705 0.000 2.365 423 Q HA 0.366 4.685 4.340 -0.034 0.000 0.269 423 Q C -2.563 172.868 176.000 -0.949 0.000 1.061 423 Q CA -2.248 53.148 55.803 -0.679 0.000 0.816 423 Q CB 2.057 30.303 28.738 -0.820 0.000 1.325 423 Q HN 0.408 nan 8.270 nan 0.000 0.446 424 P HA -0.055 nan 4.420 nan 0.000 0.265 424 P C -0.212 176.599 177.300 -0.814 0.000 1.187 424 P CA 0.892 63.536 63.100 -0.759 0.000 0.766 424 P CB 0.393 31.737 31.700 -0.593 0.000 0.820 425 T N -0.866 113.275 114.554 -0.688 0.000 6.974 425 T HA -0.186 4.143 4.350 -0.034 0.000 0.287 425 T C 0.364 174.700 174.700 -0.606 0.000 2.146 425 T CA 1.297 63.017 62.100 -0.634 0.000 3.451 425 T CB -1.948 66.525 68.868 -0.658 0.000 1.630 425 T HN 0.594 nan 8.240 nan 0.000 1.173 426 H N -0.007 118.821 119.070 -0.404 0.000 2.573 426 H HA 0.583 5.119 4.556 -0.035 0.000 0.351 426 H C 0.829 175.933 175.328 -0.372 0.000 1.163 426 H CA -0.900 55.007 56.048 -0.236 0.000 1.205 426 H CB 1.452 31.224 29.762 0.018 0.000 1.605 426 H HN 0.119 nan 8.280 nan 0.000 0.525 427 K N 0.984 121.398 120.400 0.023 0.000 2.374 427 K HA 0.251 4.550 4.320 -0.034 0.000 0.202 427 K C 0.529 177.457 176.600 0.547 0.000 1.040 427 K CA 0.145 56.556 56.287 0.206 0.000 1.085 427 K CB 0.733 33.373 32.500 0.233 0.000 0.873 427 K HN 0.456 nan 8.250 nan 0.000 0.539 428 I N -1.871 118.928 120.570 0.381 0.000 2.648 428 I HA 0.371 4.520 4.170 -0.034 0.000 0.304 428 I C -0.672 175.792 176.117 0.579 0.000 1.009 428 I CA -1.083 60.489 61.300 0.452 0.000 1.114 428 I CB 1.251 39.375 38.000 0.208 0.000 1.293 428 I HN -0.077 nan 8.210 nan 0.000 0.449 429 H N 3.719 123.081 119.070 0.487 0.000 2.820 429 H HA 0.485 5.021 4.556 -0.035 0.000 0.248 429 H C 0.694 176.168 175.328 0.243 0.000 1.714 429 H CA -0.332 56.001 56.048 0.475 0.000 1.334 429 H CB 0.456 30.498 29.762 0.466 0.000 1.693 429 H HN 0.899 nan 8.280 nan 0.000 0.548 430 G N 1.136 110.085 108.800 0.249 0.000 4.596 430 G HA2 0.083 4.022 3.960 -0.034 0.000 0.276 430 G HA3 0.083 4.022 3.960 -0.034 0.000 0.276 430 G C -0.378 174.468 174.900 -0.090 0.000 1.013 430 G CA -0.218 44.906 45.100 0.041 0.000 0.778 430 G HN 0.202 nan 8.290 nan 0.000 0.389 431 F N 0.725 120.706 119.950 0.052 0.000 2.370 431 F HA 0.545 5.051 4.527 -0.035 0.000 0.319 431 F C 0.095 175.909 175.800 0.023 0.000 1.129 431 F CA -0.714 57.296 58.000 0.018 0.000 1.109 431 F CB 1.458 40.433 39.000 -0.041 0.000 1.262 431 F HN -0.090 nan 8.300 nan 0.000 0.534 432 D N 1.864 122.400 120.400 0.227 0.000 2.454 432 D HA 0.139 4.758 4.640 -0.034 0.000 0.247 432 D C 0.572 176.915 176.300 0.072 0.000 1.129 432 D CA -0.363 53.712 54.000 0.125 0.000 0.877 432 D CB 1.175 42.043 40.800 0.113 0.000 1.082 432 D HN 0.403 nan 8.370 nan 0.000 0.537 433 L N 4.637 125.859 121.223 -0.002 0.000 2.079 433 L HA -0.044 4.275 4.340 -0.034 0.000 0.210 433 L C 1.986 178.746 176.870 -0.183 0.000 1.081 433 L CA 2.387 57.151 54.840 -0.126 0.000 0.752 433 L CB -0.547 41.350 42.059 -0.271 0.000 0.896 433 L HN 0.480 nan 8.230 nan 0.000 0.433 434 A N -0.528 122.233 122.820 -0.099 0.000 1.877 434 A HA -0.108 4.191 4.320 -0.034 0.000 0.216 434 A C 2.476 179.984 177.584 -0.127 0.000 1.186 434 A CA 1.913 53.856 52.037 -0.157 0.000 0.620 434 A CB -1.236 17.901 19.000 0.228 0.000 0.822 434 A HN 0.562 nan 8.150 nan 0.000 0.443 435 A N -0.012 122.806 122.820 -0.003 0.000 1.883 435 A HA -0.126 4.174 4.320 -0.034 0.000 0.217 435 A C 2.131 179.680 177.584 -0.058 0.000 1.186 435 A CA 1.603 53.637 52.037 -0.004 0.000 0.624 435 A CB -0.708 18.306 19.000 0.023 0.000 0.822 435 A HN 0.507 nan 8.150 nan 0.000 0.444 436 I N 0.089 120.652 120.570 -0.012 0.000 2.118 436 I HA -0.377 3.772 4.170 -0.034 0.000 0.241 436 I C 2.307 178.452 176.117 0.047 0.000 1.070 436 I CA 1.986 63.337 61.300 0.086 0.000 1.327 436 I CB -0.715 37.365 38.000 0.132 0.000 1.034 436 I HN 0.474 nan 8.210 nan 0.000 0.405 437 N N 0.580 119.187 118.700 -0.155 0.000 2.091 437 N HA -0.219 4.501 4.740 -0.034 0.000 0.193 437 N C 1.915 177.363 175.510 -0.103 0.000 1.021 437 N CA 1.196 54.085 53.050 -0.268 0.000 0.862 437 N CB -0.172 37.672 38.487 -1.071 0.000 1.018 437 N HN 0.295 nan 8.380 nan 0.000 0.429 438 L N 0.370 121.554 121.223 -0.066 0.000 2.044 438 L HA -0.167 4.152 4.340 -0.034 0.000 0.205 438 L C 2.633 179.497 176.870 -0.010 0.000 1.075 438 L CA 1.001 55.874 54.840 0.055 0.000 0.747 438 L CB -0.369 41.771 42.059 0.134 0.000 0.903 438 L HN 0.177 nan 8.230 nan 0.000 0.435 439 Q N 0.232 119.956 119.800 -0.127 0.000 2.084 439 Q HA -0.248 4.071 4.340 -0.034 0.000 0.202 439 Q C 2.224 178.210 176.000 -0.024 0.000 0.978 439 Q CA 1.612 57.215 55.803 -0.333 0.000 0.844 439 Q CB -0.043 28.099 28.738 -0.993 0.000 0.898 439 Q HN 0.101 nan 8.270 nan 0.000 0.426 440 R N -0.862 119.770 120.500 0.220 0.000 2.092 440 R HA -0.047 4.272 4.340 -0.034 0.000 0.231 440 R C 2.132 178.554 176.300 0.202 0.000 1.119 440 R CA 1.574 57.981 56.100 0.512 0.000 0.970 440 R CB -0.943 29.688 30.300 0.552 0.000 0.864 440 R HN 0.420 nan 8.270 nan 0.000 0.440 441 C N -0.087 119.068 119.300 -0.242 0.000 2.413 441 C HA -0.087 4.352 4.460 -0.034 0.000 0.276 441 C C 2.524 177.435 174.990 -0.132 0.000 1.248 441 C CA 1.151 59.739 59.018 -0.717 0.000 1.742 441 C CB -0.851 26.590 27.740 -0.499 0.000 2.017 441 C HN 0.513 nan 8.230 nan 0.000 0.481 442 R N 0.446 121.011 120.500 0.107 0.000 2.075 442 R HA -0.118 4.202 4.340 -0.034 0.000 0.232 442 R C 1.938 178.459 176.300 0.369 0.000 1.126 442 R CA 1.705 57.970 56.100 0.275 0.000 0.963 442 R CB -0.516 30.007 30.300 0.372 0.000 0.858 442 R HN 0.510 nan 8.270 nan 0.000 0.435 443 D N 0.314 121.010 120.400 0.494 0.000 2.158 443 D HA -0.192 4.427 4.640 -0.034 0.000 0.197 443 D C 1.248 177.884 176.300 0.561 0.000 0.995 443 D CA 1.397 55.740 54.000 0.572 0.000 0.846 443 D CB -0.078 41.220 40.800 0.829 0.000 0.941 443 D HN 0.408 nan 8.370 nan 0.000 0.456 444 H N -1.347 117.934 119.070 0.352 0.000 2.543 444 H HA 0.226 4.762 4.556 -0.034 0.000 0.269 444 H C 1.053 176.440 175.328 0.098 0.000 1.005 444 H CA 0.211 56.451 56.048 0.320 0.000 1.146 444 H CB 0.212 30.256 29.762 0.470 0.000 1.353 444 H HN 0.282 nan 8.280 nan 0.000 0.595 445 G N 1.740 110.546 108.800 0.010 0.000 2.273 445 G HA2 -0.280 3.659 3.960 -0.034 0.000 0.280 445 G HA3 -0.280 3.659 3.960 -0.034 0.000 0.280 445 G C 0.281 175.086 174.900 -0.158 0.000 1.047 445 G CA -0.140 44.611 45.100 -0.581 0.000 0.869 445 G HN 0.153 nan 8.290 nan 0.000 0.502 446 M N 0.149 119.770 119.600 0.034 0.000 2.238 446 M HA 0.174 4.633 4.480 -0.034 0.000 0.350 446 M C -1.639 174.755 176.300 0.156 0.000 1.321 446 M CA -1.858 53.521 55.300 0.133 0.000 1.097 446 M CB -0.138 32.477 32.600 0.025 0.000 1.713 446 M HN -0.020 nan 8.290 nan 0.000 0.455 447 P HA 0.053 nan 4.420 nan 0.000 0.267 447 P C 0.332 177.711 177.300 0.132 0.000 1.200 447 P CA 0.072 63.177 63.100 0.008 0.000 0.772 447 P CB 0.429 31.890 31.700 -0.398 0.000 0.855 448 G N 0.800 109.609 108.800 0.015 0.000 2.653 448 G HA2 -0.064 3.876 3.960 -0.034 0.000 0.265 448 G HA3 -0.064 3.876 3.960 -0.034 0.000 0.265 448 G C 0.351 175.375 174.900 0.207 0.000 1.237 448 G CA -0.164 44.989 45.100 0.088 0.000 0.946 448 G HN 0.467 nan 8.290 nan 0.000 0.522 449 Y N 0.315 120.657 120.300 0.070 0.000 2.128 449 Y HA -0.206 4.323 4.550 -0.035 0.000 0.284 449 Y C 2.606 178.575 175.900 0.114 0.000 1.154 449 Y CA 2.469 60.634 58.100 0.108 0.000 1.149 449 Y CB -0.108 38.342 38.460 -0.017 0.000 0.976 449 Y HN 0.418 nan 8.280 nan 0.000 0.505 450 N N -0.383 118.270 118.700 -0.078 0.000 2.331 450 N HA -0.125 4.595 4.740 -0.034 0.000 0.180 450 N C 1.949 177.382 175.510 -0.128 0.000 1.019 450 N CA 1.241 54.191 53.050 -0.167 0.000 0.881 450 N CB -0.311 38.140 38.487 -0.060 0.000 0.972 450 N HN 0.324 nan 8.380 nan 0.000 0.435 451 S N -0.179 115.430 115.700 -0.152 0.000 2.368 451 S HA -0.107 4.343 4.470 -0.034 0.000 0.225 451 S C 1.614 176.038 174.600 -0.294 0.000 1.030 451 S CA 0.883 58.916 58.200 -0.278 0.000 0.999 451 S CB -0.276 62.651 63.200 -0.456 0.000 0.844 451 S HN 0.509 nan 8.310 nan 0.000 0.459 452 W N 1.638 122.941 121.300 0.006 0.000 2.418 452 W HA 0.073 4.713 4.660 -0.034 0.000 0.292 452 W C 2.556 179.103 176.519 0.047 0.000 1.213 452 W CA -0.168 57.210 57.345 0.055 0.000 1.283 452 W CB -0.081 29.397 29.460 0.029 0.000 1.119 452 W HN 0.061 nan 8.180 nan 0.000 0.542 453 R N 0.218 120.742 120.500 0.039 0.000 2.083 453 R HA -0.107 4.212 4.340 -0.034 0.000 0.237 453 R C 2.334 178.661 176.300 0.046 0.000 1.137 453 R CA 1.626 57.699 56.100 -0.044 0.000 0.951 453 R CB -1.673 28.473 30.300 -0.256 0.000 0.851 453 R HN 0.351 nan 8.270 nan 0.000 0.434 454 G N 0.473 109.288 108.800 0.025 0.000 2.459 454 G HA2 -0.312 3.628 3.960 -0.034 0.000 0.217 454 G HA3 -0.312 3.628 3.960 -0.034 0.000 0.217 454 G C 1.415 176.368 174.900 0.089 0.000 1.183 454 G CA 0.660 45.780 45.100 0.034 0.000 0.776 454 G HN 0.311 nan 8.290 nan 0.000 0.552 455 F N 1.018 120.978 119.950 0.016 0.000 2.154 455 F HA -0.158 4.348 4.527 -0.035 0.000 0.301 455 F C 2.108 177.992 175.800 0.139 0.000 1.087 455 F CA 1.280 59.334 58.000 0.090 0.000 1.274 455 F CB -0.124 39.009 39.000 0.222 0.000 1.009 455 F HN 0.167 nan 8.300 nan 0.000 0.485 456 c N 0.619 119.350 118.600 0.219 0.000 2.693 456 c HA 0.443 4.993 4.570 -0.034 0.000 0.286 456 c C 1.626 175.792 174.090 0.127 0.000 1.277 456 c CA 0.396 56.823 56.329 0.164 0.000 1.705 456 c CB -1.232 41.419 42.510 0.234 0.000 1.879 456 c HN 0.846 nan 8.230 nan 0.000 0.607 457 G N 1.328 110.162 108.800 0.057 0.000 2.221 457 G HA2 -0.242 3.697 3.960 -0.034 0.000 0.265 457 G HA3 -0.242 3.697 3.960 -0.034 0.000 0.265 457 G C -0.177 174.752 174.900 0.049 0.000 1.041 457 G CA 0.201 45.323 45.100 0.037 0.000 0.807 457 G HN 0.553 nan 8.290 nan 0.000 0.502 458 L N 0.409 121.663 121.223 0.051 0.000 2.322 458 L HA 0.673 4.993 4.340 -0.034 0.000 0.269 458 L C 1.368 178.244 176.870 0.011 0.000 1.012 458 L CA -0.600 54.264 54.840 0.040 0.000 0.815 458 L CB 1.715 43.804 42.059 0.050 0.000 1.295 458 L HN 0.366 nan 8.230 nan 0.000 0.438 459 S N 0.568 116.275 115.700 0.011 0.000 2.576 459 S HA 0.124 4.574 4.470 -0.034 0.000 0.272 459 S C -0.364 174.227 174.600 -0.016 0.000 1.352 459 S CA -0.493 57.711 58.200 0.005 0.000 1.021 459 S CB 0.533 63.744 63.200 0.018 0.000 0.887 459 S HN 0.616 nan 8.310 nan 0.000 0.542 460 Q N 1.744 121.538 119.800 -0.010 0.000 2.558 460 Q HA 0.349 4.669 4.340 -0.034 0.000 0.252 460 Q C -2.568 173.443 176.000 0.018 0.000 1.015 460 Q CA -1.969 53.821 55.803 -0.021 0.000 0.720 460 Q CB 1.617 30.337 28.738 -0.029 0.000 1.215 460 Q HN 0.584 nan 8.270 nan 0.000 0.500 461 P HA -0.030 nan 4.420 nan 0.000 0.264 461 P C -0.277 177.061 177.300 0.062 0.000 1.193 461 P CA -0.012 63.129 63.100 0.068 0.000 0.763 461 P CB 1.129 32.894 31.700 0.109 0.000 0.810 462 K N 0.644 121.072 120.400 0.047 0.000 2.412 462 K HA 0.141 4.440 4.320 -0.034 0.000 0.202 462 K C 1.016 177.640 176.600 0.040 0.000 1.102 462 K CA 0.529 56.843 56.287 0.046 0.000 1.027 462 K CB 0.497 33.021 32.500 0.041 0.000 0.931 462 K HN 0.593 nan 8.250 nan 0.000 0.557 463 T N -2.029 112.546 114.554 0.034 0.000 2.888 463 T HA 0.308 4.637 4.350 -0.034 0.000 0.288 463 T C 1.054 175.766 174.700 0.019 0.000 1.063 463 T CA -0.833 61.281 62.100 0.025 0.000 1.010 463 T CB 1.435 70.317 68.868 0.024 0.000 1.214 463 T HN -0.132 nan 8.240 nan 0.000 0.533 464 L N 0.836 122.065 121.223 0.009 0.000 2.013 464 L HA 0.008 4.328 4.340 -0.034 0.000 0.212 464 L C 2.492 179.369 176.870 0.011 0.000 1.073 464 L CA 2.136 56.979 54.840 0.005 0.000 0.753 464 L CB -0.949 41.110 42.059 0.000 0.000 0.890 464 L HN 0.845 nan 8.230 nan 0.000 0.432 465 K N -0.436 119.972 120.400 0.013 0.000 2.097 465 K HA -0.050 4.249 4.320 -0.034 0.000 0.206 465 K C 1.968 178.580 176.600 0.020 0.000 1.049 465 K CA 1.343 57.639 56.287 0.015 0.000 0.933 465 K CB -0.883 31.625 32.500 0.014 0.000 0.717 465 K HN 0.480 nan 8.250 nan 0.000 0.442 466 G N 0.731 109.546 108.800 0.025 0.000 2.433 466 G HA2 -0.247 3.693 3.960 -0.034 0.000 0.216 466 G HA3 -0.247 3.693 3.960 -0.034 0.000 0.216 466 G C 1.371 176.296 174.900 0.042 0.000 1.186 466 G CA 0.902 46.022 45.100 0.034 0.000 0.779 466 G HN 0.287 nan 8.290 nan 0.000 0.543 467 L N 0.589 121.836 121.223 0.040 0.000 2.012 467 L HA -0.079 4.240 4.340 -0.034 0.000 0.210 467 L C 3.028 179.912 176.870 0.023 0.000 1.073 467 L CA 1.992 56.855 54.840 0.039 0.000 0.748 467 L CB -0.792 41.276 42.059 0.015 0.000 0.891 467 L HN 0.342 nan 8.230 nan 0.000 0.431 468 Q N -1.540 118.268 119.800 0.015 0.000 2.112 468 Q HA -0.236 4.083 4.340 -0.034 0.000 0.206 468 Q C 1.969 177.977 176.000 0.014 0.000 0.987 468 Q CA 2.427 58.236 55.803 0.010 0.000 0.858 468 Q CB -0.352 28.391 28.738 0.008 0.000 0.905 468 Q HN 0.537 nan 8.270 nan 0.000 0.420 469 T N 0.129 114.695 114.554 0.021 0.000 2.857 469 T HA -0.071 4.258 4.350 -0.034 0.000 0.266 469 T C 1.992 176.709 174.700 0.030 0.000 1.048 469 T CA 1.032 63.146 62.100 0.022 0.000 1.139 469 T CB -0.096 68.785 68.868 0.023 0.000 0.874 469 T HN 0.041 nan 8.240 nan 0.000 0.455 470 V N 1.605 121.546 119.914 0.044 0.000 2.358 470 V HA -0.051 4.048 4.120 -0.034 0.000 0.246 470 V C 2.274 178.398 176.094 0.050 0.000 1.047 470 V CA 1.463 63.801 62.300 0.063 0.000 1.035 470 V CB -0.538 31.351 31.823 0.109 0.000 0.658 470 V HN 0.458 nan 8.190 nan 0.000 0.452 471 L N -0.985 120.255 121.223 0.028 0.000 2.509 471 L HA 0.121 4.440 4.340 -0.034 0.000 0.222 471 L C 1.096 177.965 176.870 -0.000 0.000 1.123 471 L CA 0.280 55.121 54.840 0.003 0.000 0.856 471 L CB -0.428 41.615 42.059 -0.026 0.000 0.985 471 L HN 0.310 nan 8.230 nan 0.000 0.456 472 K N 1.068 121.472 120.400 0.006 0.000 3.071 472 K HA -0.207 4.092 4.320 -0.034 0.000 0.265 472 K C -0.185 176.413 176.600 -0.003 0.000 1.060 472 K CA 0.432 56.721 56.287 0.003 0.000 0.767 472 K CB -1.486 31.016 32.500 0.003 0.000 1.241 472 K HN 0.326 nan 8.250 nan 0.000 0.486 473 N N 0.216 118.914 118.700 -0.004 0.000 2.503 473 N HA 0.170 4.890 4.740 -0.034 0.000 0.287 473 N C -0.015 175.492 175.510 -0.005 0.000 1.096 473 N CA -0.594 52.451 53.050 -0.007 0.000 0.936 473 N CB 1.509 39.988 38.487 -0.014 0.000 1.570 473 N HN -0.041 nan 8.380 nan 0.000 0.504 474 K N 2.239 122.637 120.400 -0.003 0.000 2.098 474 K HA 0.220 4.519 4.320 -0.034 0.000 0.203 474 K C 1.517 178.116 176.600 -0.002 0.000 1.051 474 K CA 0.734 57.020 56.287 -0.001 0.000 0.957 474 K CB 0.349 32.850 32.500 0.001 0.000 0.738 474 K HN 0.512 nan 8.250 nan 0.000 0.447 475 I N 1.054 121.624 120.570 -0.001 0.000 2.286 475 I HA -0.256 3.893 4.170 -0.034 0.000 0.245 475 I C 2.252 178.369 176.117 0.000 0.000 1.104 475 I CA 0.528 61.829 61.300 0.001 0.000 1.397 475 I CB -0.124 37.878 38.000 0.004 0.000 1.072 475 I HN 0.084 nan 8.210 nan 0.000 0.417 476 L N 1.343 122.564 121.223 -0.005 0.000 1.989 476 L HA -0.207 4.113 4.340 -0.034 0.000 0.211 476 L C 2.604 179.465 176.870 -0.014 0.000 1.071 476 L CA 2.308 57.142 54.840 -0.010 0.000 0.749 476 L CB -1.010 41.036 42.059 -0.022 0.000 0.890 476 L HN 0.222 nan 8.230 nan 0.000 0.431 477 A N -0.638 122.171 122.820 -0.018 0.000 1.917 477 A HA -0.318 3.981 4.320 -0.034 0.000 0.219 477 A C 2.493 180.072 177.584 -0.007 0.000 1.182 477 A CA 2.284 54.311 52.037 -0.018 0.000 0.633 477 A CB -0.744 18.248 19.000 -0.012 0.000 0.819 477 A HN 0.557 nan 8.150 nan 0.000 0.448 478 K N -0.240 120.158 120.400 -0.003 0.000 2.057 478 K HA -0.172 4.127 4.320 -0.034 0.000 0.207 478 K C 2.025 178.627 176.600 0.002 0.000 1.049 478 K CA 1.715 58.001 56.287 -0.001 0.000 0.931 478 K CB -0.174 32.325 32.500 -0.000 0.000 0.714 478 K HN 0.476 nan 8.250 nan 0.000 0.440 479 K N 0.606 121.010 120.400 0.008 0.000 2.026 479 K HA -0.097 4.202 4.320 -0.034 0.000 0.208 479 K C 2.183 178.804 176.600 0.035 0.000 1.048 479 K CA 1.358 57.654 56.287 0.016 0.000 0.929 479 K CB -0.141 32.372 32.500 0.021 0.000 0.713 479 K HN 0.100 nan 8.250 nan 0.000 0.439 480 L N 0.442 121.697 121.223 0.053 0.000 2.012 480 L HA -0.231 4.089 4.340 -0.034 0.000 0.210 480 L C 2.565 179.516 176.870 0.134 0.000 1.073 480 L CA 1.011 55.930 54.840 0.132 0.000 0.748 480 L CB -0.348 41.735 42.059 0.040 0.000 0.891 480 L HN 0.274 nan 8.230 nan 0.000 0.431 481 M N -0.814 118.810 119.600 0.041 0.000 2.117 481 M HA -0.211 4.248 4.480 -0.034 0.000 0.262 481 M C 1.889 178.170 176.300 -0.032 0.000 1.065 481 M CA 1.602 56.901 55.300 -0.001 0.000 1.114 481 M CB -1.121 31.465 32.600 -0.022 0.000 1.361 481 M HN 0.224 nan 8.290 nan 0.000 0.408 482 D N 0.270 120.656 120.400 -0.023 0.000 2.178 482 D HA -0.077 4.542 4.640 -0.034 0.000 0.201 482 D C 2.225 178.485 176.300 -0.066 0.000 0.980 482 D CA 1.049 55.024 54.000 -0.043 0.000 0.842 482 D CB -0.061 40.724 40.800 -0.026 0.000 0.948 482 D HN 0.346 nan 8.370 nan 0.000 0.472 483 L N -1.091 120.092 121.223 -0.067 0.000 2.127 483 L HA -0.084 4.235 4.340 -0.034 0.000 0.203 483 L C 2.049 178.771 176.870 -0.246 0.000 1.080 483 L CA 0.746 55.479 54.840 -0.178 0.000 0.768 483 L CB -0.188 41.716 42.059 -0.259 0.000 0.924 483 L HN 0.019 nan 8.230 nan 0.000 0.444 484 Y N -0.637 119.614 120.300 -0.082 0.000 2.479 484 Y HA 0.028 4.558 4.550 -0.034 0.000 0.283 484 Y C 1.104 176.877 175.900 -0.212 0.000 1.109 484 Y CA -0.226 57.821 58.100 -0.089 0.000 1.239 484 Y CB 0.425 38.849 38.460 -0.060 0.000 1.108 484 Y HN -0.039 nan 8.280 nan 0.000 0.548 485 K N -0.120 120.180 120.400 -0.167 0.000 3.547 485 K HA -0.217 4.083 4.320 -0.034 0.000 0.309 485 K C 0.057 176.342 176.600 -0.526 0.000 1.324 485 K CA 1.336 57.309 56.287 -0.524 0.000 0.988 485 K CB -2.178 29.544 32.500 -1.296 0.000 1.261 485 K HN 0.400 nan 8.250 nan 0.000 0.444 486 T N -1.258 113.184 114.554 -0.187 0.000 3.393 486 T HA 0.406 4.736 4.350 -0.034 0.000 0.359 486 T C -2.641 172.066 174.700 0.012 0.000 1.380 486 T CA -0.924 61.145 62.100 -0.052 0.000 1.132 486 T CB 1.872 70.787 68.868 0.078 0.000 1.284 486 T HN -0.268 nan 8.240 nan 0.000 0.477 487 P HA 0.017 nan 4.420 nan 0.000 0.221 487 P C 0.905 178.254 177.300 0.082 0.000 1.145 487 P CA 0.733 63.862 63.100 0.048 0.000 0.795 487 P CB 0.158 31.928 31.700 0.117 0.000 0.775 488 D N -0.946 119.495 120.400 0.068 0.000 2.265 488 D HA -0.121 4.498 4.640 -0.034 0.000 0.208 488 D C 1.253 177.567 176.300 0.022 0.000 0.977 488 D CA 1.022 55.052 54.000 0.050 0.000 0.871 488 D CB -0.511 40.316 40.800 0.045 0.000 0.925 488 D HN 0.162 nan 8.370 nan 0.000 0.485 489 N N -0.266 118.446 118.700 0.020 0.000 2.299 489 N HA 0.116 4.835 4.740 -0.034 0.000 0.187 489 N C 0.270 175.713 175.510 -0.112 0.000 1.099 489 N CA -0.111 52.954 53.050 0.024 0.000 0.867 489 N CB 0.526 39.110 38.487 0.161 0.000 0.974 489 N HN 0.213 nan 8.380 nan 0.000 0.477 490 I N 2.117 122.461 120.570 -0.376 0.000 2.742 490 I HA -0.089 4.061 4.170 -0.034 0.000 0.287 490 I C 0.145 176.057 176.117 -0.342 0.000 1.186 490 I CA 0.229 61.010 61.300 -0.865 0.000 1.417 490 I CB 0.165 37.735 38.000 -0.717 0.000 1.377 490 I HN -0.072 nan 8.210 nan 0.000 0.556 491 D N 5.835 126.064 120.400 -0.285 0.000 2.472 491 D HA -0.063 4.556 4.640 -0.034 0.000 0.237 491 D C 1.116 177.435 176.300 0.033 0.000 1.141 491 D CA -0.032 53.975 54.000 0.011 0.000 0.875 491 D CB 1.489 42.379 40.800 0.150 0.000 1.192 491 D HN 0.447 nan 8.370 nan 0.000 0.450 492 I N 2.436 123.066 120.570 0.100 0.000 2.208 492 I HA -0.208 3.942 4.170 -0.034 0.000 0.245 492 I C 1.900 178.084 176.117 0.112 0.000 1.097 492 I CA 1.230 62.610 61.300 0.134 0.000 1.363 492 I CB -0.281 37.757 38.000 0.063 0.000 1.051 492 I HN 0.629 nan 8.210 nan 0.000 0.413 493 W N 0.745 122.036 121.300 -0.014 0.000 2.333 493 W HA -0.272 4.368 4.660 -0.034 0.000 0.316 493 W C 2.349 178.894 176.519 0.044 0.000 1.215 493 W CA 2.304 59.679 57.345 0.050 0.000 1.278 493 W CB -0.598 28.918 29.460 0.093 0.000 1.154 493 W HN 0.272 nan 8.180 nan 0.000 0.486 494 I N 0.954 121.462 120.570 -0.102 0.000 2.406 494 I HA 0.073 4.222 4.170 -0.034 0.000 0.249 494 I C 2.454 178.365 176.117 -0.343 0.000 1.122 494 I CA 2.114 63.194 61.300 -0.366 0.000 1.431 494 I CB -1.151 36.809 38.000 -0.067 0.000 1.087 494 I HN 0.075 nan 8.210 nan 0.000 0.424 495 G N 0.059 108.674 108.800 -0.308 0.000 2.459 495 G HA2 -0.237 3.703 3.960 -0.034 0.000 0.217 495 G HA3 -0.237 3.703 3.960 -0.034 0.000 0.217 495 G C 1.715 176.456 174.900 -0.266 0.000 1.183 495 G CA 0.682 45.461 45.100 -0.535 0.000 0.776 495 G HN 0.537 nan 8.290 nan 0.000 0.552 496 G N 0.704 109.487 108.800 -0.029 0.000 2.440 496 G HA2 -0.234 3.706 3.960 -0.034 0.000 0.218 496 G HA3 -0.234 3.706 3.960 -0.034 0.000 0.218 496 G C 1.698 176.547 174.900 -0.085 0.000 1.154 496 G CA 1.130 46.249 45.100 0.032 0.000 0.767 496 G HN 0.528 nan 8.290 nan 0.000 0.552 497 N N 0.551 119.111 118.700 -0.234 0.000 2.459 497 N HA 0.137 4.856 4.740 -0.034 0.000 0.181 497 N C 2.150 177.541 175.510 -0.199 0.000 1.046 497 N CA 0.707 53.602 53.050 -0.257 0.000 0.904 497 N CB -0.032 38.154 38.487 -0.502 0.000 0.964 497 N HN 0.338 nan 8.380 nan 0.000 0.444 498 A N 0.509 123.204 122.820 -0.208 0.000 2.169 498 A HA 0.011 4.310 4.320 -0.034 0.000 0.212 498 A C 0.460 177.985 177.584 -0.098 0.000 1.153 498 A CA 0.363 52.303 52.037 -0.162 0.000 0.756 498 A CB 0.016 18.894 19.000 -0.204 0.000 0.813 498 A HN 0.254 nan 8.150 nan 0.000 0.471 499 E N 1.069 121.231 120.200 -0.064 0.000 2.354 499 E HA 0.269 4.598 4.350 -0.034 0.000 0.269 499 E C -2.485 174.104 176.600 -0.018 0.000 1.036 499 E CA -2.089 54.304 56.400 -0.012 0.000 0.876 499 E CB 0.202 29.927 29.700 0.042 0.000 1.009 499 E HN 0.167 nan 8.360 nan 0.000 0.416 500 P HA -0.072 nan 4.420 nan 0.000 0.267 500 P C -0.417 176.875 177.300 -0.013 0.000 1.200 500 P CA 0.461 63.554 63.100 -0.013 0.000 0.772 500 P CB 0.447 32.144 31.700 -0.006 0.000 0.855 501 M N 1.609 121.196 119.600 -0.022 0.000 2.252 501 M HA 0.074 4.534 4.480 -0.034 0.000 0.333 501 M C 0.620 176.907 176.300 -0.022 0.000 1.111 501 M CA -0.248 55.034 55.300 -0.031 0.000 1.140 501 M CB 0.095 32.674 32.600 -0.036 0.000 1.538 501 M HN 0.153 nan 8.290 nan 0.000 0.448 502 V N -0.071 119.829 119.914 -0.024 0.000 2.924 502 V HA 0.167 4.267 4.120 -0.034 0.000 0.305 502 V C 0.311 176.392 176.094 -0.021 0.000 1.073 502 V CA -0.845 61.450 62.300 -0.009 0.000 1.098 502 V CB 0.751 32.579 31.823 0.008 0.000 1.000 502 V HN 0.924 nan 8.190 nan 0.000 0.484 503 E N 3.039 123.231 120.200 -0.014 0.000 2.694 503 E HA -0.030 4.300 4.350 -0.034 0.000 0.250 503 E C 0.671 177.251 176.600 -0.034 0.000 0.963 503 E CA 0.767 57.154 56.400 -0.022 0.000 0.949 503 E CB -0.107 29.583 29.700 -0.016 0.000 0.911 503 E HN 0.768 nan 8.360 nan 0.000 0.500 504 R N 1.165 121.637 120.500 -0.046 0.000 3.953 504 R HA -0.221 4.099 4.340 -0.034 0.000 0.340 504 R C 0.318 176.569 176.300 -0.083 0.000 1.195 504 R CA 0.667 56.729 56.100 -0.064 0.000 0.929 504 R CB -1.842 28.422 30.300 -0.060 0.000 1.402 504 R HN 0.628 nan 8.270 nan 0.000 0.540 505 G N -1.105 107.649 108.800 -0.076 0.000 3.075 505 G HA2 0.603 4.542 3.960 -0.034 0.000 0.253 505 G HA3 0.603 4.542 3.960 -0.034 0.000 0.253 505 G C 0.158 175.004 174.900 -0.091 0.000 1.353 505 G CA -0.646 44.396 45.100 -0.096 0.000 1.051 505 G HN 0.034 nan 8.290 nan 0.000 0.553 506 R N -0.793 119.647 120.500 -0.100 0.000 2.566 506 R HA 0.252 4.572 4.340 -0.034 0.000 0.388 506 R C -0.075 176.132 176.300 -0.156 0.000 0.989 506 R CA -0.001 56.066 56.100 -0.055 0.000 1.164 506 R CB 0.383 30.756 30.300 0.122 0.000 1.459 506 R HN 0.534 nan 8.270 nan 0.000 0.553 507 V N -3.569 116.214 119.914 -0.219 0.000 3.078 507 V HA 0.917 5.016 4.120 -0.034 0.000 0.311 507 V C 0.353 176.376 176.094 -0.119 0.000 1.138 507 V CA -1.031 61.129 62.300 -0.233 0.000 1.007 507 V CB 1.804 33.379 31.823 -0.413 0.000 1.045 507 V HN 0.055 nan 8.190 nan 0.000 0.432 508 G N 0.964 109.717 108.800 -0.077 0.000 2.621 508 G HA2 0.518 4.457 3.960 -0.034 0.000 0.271 508 G HA3 0.518 4.457 3.960 -0.034 0.000 0.271 508 G C -1.767 173.133 174.900 0.001 0.000 1.236 508 G CA -0.910 44.176 45.100 -0.023 0.000 0.958 508 G HN 0.655 nan 8.290 nan 0.000 0.512 509 P HA -0.142 nan 4.420 nan 0.000 0.215 509 P C 2.129 179.474 177.300 0.075 0.000 1.157 509 P CA 0.600 63.748 63.100 0.080 0.000 0.874 509 P CB 0.097 31.851 31.700 0.090 0.000 0.790 510 L N -0.947 120.321 121.223 0.074 0.000 1.994 510 L HA -0.145 4.174 4.340 -0.034 0.000 0.208 510 L C 2.220 179.099 176.870 0.016 0.000 1.071 510 L CA 1.857 56.743 54.840 0.076 0.000 0.745 510 L CB -1.452 40.680 42.059 0.121 0.000 0.892 510 L HN -0.115 nan 8.230 nan 0.000 0.431 511 L N -0.704 120.515 121.223 -0.007 0.000 2.093 511 L HA -0.144 4.175 4.340 -0.034 0.000 0.208 511 L C 2.659 179.463 176.870 -0.109 0.000 1.085 511 L CA 0.998 55.810 54.840 -0.047 0.000 0.755 511 L CB -0.941 41.079 42.059 -0.065 0.000 0.904 511 L HN 0.384 nan 8.230 nan 0.000 0.435 512 A N -0.611 122.138 122.820 -0.118 0.000 1.908 512 A HA -0.299 4.000 4.320 -0.034 0.000 0.218 512 A C 2.528 179.821 177.584 -0.484 0.000 1.181 512 A CA 1.944 53.885 52.037 -0.160 0.000 0.627 512 A CB -1.238 17.760 19.000 -0.005 0.000 0.818 512 A HN 0.614 nan 8.150 nan 0.000 0.445 513 c N -0.384 117.876 118.600 -0.568 0.000 2.462 513 c HA -0.017 4.533 4.570 -0.034 0.000 0.278 513 c C 2.611 176.286 174.090 -0.693 0.000 1.253 513 c CA 1.189 56.785 56.329 -1.221 0.000 1.713 513 c CB -1.572 40.653 42.510 -0.476 0.000 2.049 513 c HN 0.575 nan 8.230 nan 0.000 0.477 514 L N 0.650 121.767 121.223 -0.177 0.000 2.012 514 L HA -0.151 4.168 4.340 -0.034 0.000 0.210 514 L C 2.727 179.707 176.870 0.183 0.000 1.073 514 L CA 1.711 56.624 54.840 0.123 0.000 0.748 514 L CB -0.773 41.319 42.059 0.056 0.000 0.891 514 L HN 0.408 nan 8.230 nan 0.000 0.431 515 L N -0.453 120.825 121.223 0.091 0.000 2.027 515 L HA -0.110 4.209 4.340 -0.034 0.000 0.206 515 L C 2.744 179.781 176.870 0.279 0.000 1.074 515 L CA 1.480 56.488 54.840 0.279 0.000 0.745 515 L CB -1.238 40.926 42.059 0.176 0.000 0.898 515 L HN 0.296 nan 8.230 nan 0.000 0.433 516 G N -0.452 108.340 108.800 -0.014 0.000 2.421 516 G HA2 -0.244 3.695 3.960 -0.034 0.000 0.216 516 G HA3 -0.244 3.695 3.960 -0.034 0.000 0.216 516 G C 1.763 176.772 174.900 0.181 0.000 1.171 516 G CA 0.541 45.677 45.100 0.060 0.000 0.775 516 G HN 0.219 nan 8.290 nan 0.000 0.543 517 R N -0.446 120.070 120.500 0.027 0.000 2.091 517 R HA -0.118 4.201 4.340 -0.034 0.000 0.238 517 R C 2.696 179.132 176.300 0.226 0.000 1.136 517 R CA 1.764 57.952 56.100 0.146 0.000 0.959 517 R CB -0.230 30.071 30.300 0.002 0.000 0.856 517 R HN 0.405 nan 8.270 nan 0.000 0.437 518 Q N -0.101 119.860 119.800 0.269 0.000 2.046 518 Q HA -0.117 4.203 4.340 -0.034 0.000 0.200 518 Q C 1.648 177.557 176.000 -0.152 0.000 0.975 518 Q CA 1.701 57.508 55.803 0.007 0.000 0.836 518 Q CB -0.219 28.142 28.738 -0.628 0.000 0.896 518 Q HN 0.205 nan 8.270 nan 0.000 0.428 519 F N 0.896 120.863 119.950 0.029 0.000 2.134 519 F HA -0.199 4.310 4.527 -0.029 0.000 0.299 519 F C 2.532 178.525 175.800 0.322 0.000 1.097 519 F CA 1.715 59.813 58.000 0.163 0.000 1.264 519 F CB -0.613 38.385 39.000 -0.003 0.000 1.001 519 F HN 0.270 nan 8.300 nan 0.000 0.479 520 Q N 0.859 120.903 119.800 0.407 0.000 2.077 520 Q HA -0.265 4.055 4.340 -0.034 0.000 0.206 520 Q C 2.013 178.130 176.000 0.194 0.000 0.989 520 Q CA 2.019 58.005 55.803 0.305 0.000 0.853 520 Q CB -0.406 28.492 28.738 0.268 0.000 0.907 520 Q HN 0.529 nan 8.270 nan 0.000 0.418 521 Q N 0.243 120.143 119.800 0.168 0.000 2.079 521 Q HA -0.127 4.192 4.340 -0.034 0.000 0.200 521 Q C 2.340 178.415 176.000 0.125 0.000 0.974 521 Q CA 1.779 57.660 55.803 0.131 0.000 0.840 521 Q CB -0.316 28.507 28.738 0.141 0.000 0.898 521 Q HN 0.673 nan 8.270 nan 0.000 0.430 522 I N -1.687 118.950 120.570 0.112 0.000 2.394 522 I HA -0.197 3.952 4.170 -0.034 0.000 0.251 522 I C 2.508 178.731 176.117 0.175 0.000 1.136 522 I CA 1.215 62.605 61.300 0.151 0.000 1.425 522 I CB -0.335 37.746 38.000 0.135 0.000 1.079 522 I HN 0.029 nan 8.210 nan 0.000 0.425 523 R N 1.361 121.833 120.500 -0.048 0.000 2.057 523 R HA -0.151 4.169 4.340 -0.034 0.000 0.229 523 R C 1.793 177.912 176.300 -0.301 0.000 1.136 523 R CA 2.190 57.865 56.100 -0.708 0.000 0.952 523 R CB -0.210 29.336 30.300 -1.257 0.000 0.848 523 R HN 0.345 nan 8.270 nan 0.000 0.430 524 D N -0.702 119.681 120.400 -0.030 0.000 2.224 524 D HA -0.038 4.581 4.640 -0.034 0.000 0.205 524 D C 1.366 177.831 176.300 0.276 0.000 0.965 524 D CA 1.295 55.381 54.000 0.145 0.000 0.852 524 D CB -0.110 40.745 40.800 0.092 0.000 0.947 524 D HN 0.504 nan 8.370 nan 0.000 0.494 525 G N -0.164 108.811 108.800 0.292 0.000 3.233 525 G HA2 -0.040 3.900 3.960 -0.034 0.000 0.227 525 G HA3 -0.040 3.900 3.960 -0.034 0.000 0.227 525 G C -0.094 175.182 174.900 0.627 0.000 1.175 525 G CA -0.217 45.140 45.100 0.427 0.000 0.781 525 G HN -0.021 nan 8.290 nan 0.000 0.542 526 D N -0.038 120.672 120.400 0.517 0.000 2.441 526 D HA 0.215 4.835 4.640 -0.034 0.000 0.231 526 D C 1.361 177.573 176.300 -0.147 0.000 1.073 526 D CA -0.764 53.444 54.000 0.346 0.000 0.850 526 D CB 1.185 42.299 40.800 0.524 0.000 1.062 526 D HN 0.052 nan 8.370 nan 0.000 0.524 527 R N 2.693 122.764 120.500 -0.716 0.000 2.189 527 R HA -0.033 4.287 4.340 -0.034 0.000 0.223 527 R C 0.606 176.423 176.300 -0.806 0.000 1.092 527 R CA 1.084 56.400 56.100 -1.306 0.000 0.989 527 R CB 0.011 29.646 30.300 -1.108 0.000 0.876 527 R HN 0.365 nan 8.270 nan 0.000 0.457 528 F N -0.569 119.199 119.950 -0.304 0.000 2.668 528 F HA 0.151 4.657 4.527 -0.035 0.000 0.297 528 F C 0.272 176.072 175.800 0.001 0.000 1.124 528 F CA -0.768 57.130 58.000 -0.171 0.000 1.353 528 F CB 0.105 38.981 39.000 -0.206 0.000 0.992 528 F HN 0.096 nan 8.300 nan 0.000 0.524 529 W N 3.390 124.694 121.300 0.006 0.000 2.347 529 W HA -0.121 4.516 4.660 -0.038 0.000 0.333 529 W C 1.348 177.894 176.519 0.044 0.000 1.383 529 W CA -0.621 56.740 57.345 0.028 0.000 1.283 529 W CB 0.398 29.790 29.460 -0.112 0.000 1.253 529 W HN 0.537 nan 8.180 nan 0.000 0.563 530 W N 4.591 125.501 121.300 -0.650 0.000 2.292 530 W HA -0.295 4.343 4.660 -0.037 0.000 0.304 530 W C 0.931 177.490 176.519 0.066 0.000 1.228 530 W CA 1.848 59.129 57.345 -0.108 0.000 1.241 530 W CB -0.918 28.399 29.460 -0.238 0.000 1.142 530 W HN 0.558 nan 8.180 nan 0.000 0.520 531 E N 1.330 120.797 120.200 -1.222 0.000 2.465 531 E HA -0.047 4.282 4.350 -0.034 0.000 0.191 531 E C 0.178 176.746 176.600 -0.053 0.000 1.053 531 E CA -0.258 55.535 56.400 -1.011 0.000 0.869 531 E CB -0.392 28.434 29.700 -1.456 0.000 0.977 531 E HN 0.004 nan 8.360 nan 0.000 0.483 532 N N 2.018 120.797 118.700 0.133 0.000 2.420 532 N HA 0.101 4.821 4.740 -0.034 0.000 0.262 532 N C -2.623 172.921 175.510 0.057 0.000 1.144 532 N CA -2.096 51.099 53.050 0.242 0.000 0.952 532 N CB 0.819 39.436 38.487 0.216 0.000 1.081 532 N HN -0.106 nan 8.380 nan 0.000 0.480 533 P HA 0.022 nan 4.420 nan 0.000 0.259 533 P C 0.701 177.975 177.300 -0.043 0.000 1.163 533 P CA 1.012 64.110 63.100 -0.002 0.000 0.760 533 P CB 0.344 32.042 31.700 -0.003 0.000 0.762 534 G N 1.250 110.014 108.800 -0.061 0.000 2.254 534 G HA2 -0.292 3.648 3.960 -0.034 0.000 0.225 534 G HA3 -0.292 3.648 3.960 -0.034 0.000 0.225 534 G C 0.962 175.756 174.900 -0.176 0.000 1.003 534 G CA 0.177 45.212 45.100 -0.108 0.000 0.622 534 G HN 0.399 nan 8.290 nan 0.000 0.507 535 V N 0.004 119.797 119.914 -0.201 0.000 2.302 535 V HA 0.355 4.454 4.120 -0.034 0.000 0.243 535 V C 1.327 177.086 176.094 -0.559 0.000 1.036 535 V CA 1.947 64.027 62.300 -0.368 0.000 1.020 535 V CB -0.385 31.254 31.823 -0.307 0.000 0.657 535 V HN 0.300 nan 8.190 nan 0.000 0.453 536 F N -0.739 119.216 119.950 0.008 0.000 2.618 536 F HA 0.518 5.025 4.527 -0.034 0.000 0.332 536 F C 0.685 176.446 175.800 -0.066 0.000 1.061 536 F CA -0.701 57.291 58.000 -0.014 0.000 0.974 536 F CB 1.397 40.441 39.000 0.074 0.000 1.310 536 F HN -0.081 nan 8.300 nan 0.000 0.491 537 T N -2.432 112.172 114.554 0.084 0.000 2.849 537 T HA 0.203 4.532 4.350 -0.034 0.000 0.284 537 T C 0.744 175.453 174.700 0.016 0.000 1.004 537 T CA -0.476 61.622 62.100 -0.003 0.000 1.021 537 T CB 1.045 69.871 68.868 -0.070 0.000 1.013 537 T HN 0.715 nan 8.240 nan 0.000 0.527 538 E N 0.471 120.677 120.200 0.010 0.000 2.110 538 E HA -0.138 4.191 4.350 -0.034 0.000 0.193 538 E C 2.156 178.774 176.600 0.030 0.000 0.988 538 E CA 1.087 57.503 56.400 0.027 0.000 0.804 538 E CB -0.017 29.695 29.700 0.021 0.000 0.745 538 E HN 0.644 nan 8.360 nan 0.000 0.458 539 K N 0.705 121.104 120.400 -0.002 0.000 2.057 539 K HA -0.137 4.163 4.320 -0.034 0.000 0.206 539 K C 2.252 178.836 176.600 -0.027 0.000 1.050 539 K CA 0.966 57.250 56.287 -0.005 0.000 0.935 539 K CB -0.056 32.431 32.500 -0.021 0.000 0.715 539 K HN 0.124 nan 8.250 nan 0.000 0.439 540 Q N 0.398 120.105 119.800 -0.155 0.000 2.084 540 Q HA -0.114 4.206 4.340 -0.034 0.000 0.202 540 Q C 2.098 178.122 176.000 0.041 0.000 0.978 540 Q CA 1.262 56.880 55.803 -0.309 0.000 0.844 540 Q CB -0.010 28.302 28.738 -0.709 0.000 0.898 540 Q HN 0.227 nan 8.270 nan 0.000 0.426 541 R N 0.593 121.171 120.500 0.130 0.000 2.120 541 R HA -0.129 4.190 4.340 -0.034 0.000 0.234 541 R C 1.526 177.983 176.300 0.262 0.000 1.123 541 R CA 1.276 57.571 56.100 0.325 0.000 0.975 541 R CB -0.206 30.260 30.300 0.276 0.000 0.866 541 R HN 0.314 nan 8.270 nan 0.000 0.446 542 D N 0.196 120.692 120.400 0.159 0.000 2.123 542 D HA -0.095 4.524 4.640 -0.034 0.000 0.196 542 D C 1.697 178.075 176.300 0.130 0.000 0.992 542 D CA 1.363 55.442 54.000 0.131 0.000 0.833 542 D CB -0.111 40.745 40.800 0.092 0.000 0.954 542 D HN 0.012 nan 8.370 nan 0.000 0.455 543 S N -0.621 115.172 115.700 0.156 0.000 2.501 543 S HA 0.135 4.585 4.470 -0.034 0.000 0.220 543 S C 1.884 176.581 174.600 0.163 0.000 0.997 543 S CA -0.006 58.305 58.200 0.186 0.000 0.919 543 S CB 0.317 63.713 63.200 0.327 0.000 0.778 543 S HN 0.178 nan 8.310 nan 0.000 0.523 544 L N 0.751 122.065 121.223 0.153 0.000 2.375 544 L HA 0.128 4.447 4.340 -0.034 0.000 0.215 544 L C 2.303 179.086 176.870 -0.145 0.000 1.108 544 L CA 0.468 55.299 54.840 -0.014 0.000 0.830 544 L CB -0.148 41.850 42.059 -0.102 0.000 0.959 544 L HN 0.180 nan 8.230 nan 0.000 0.457 545 Q N 0.542 120.331 119.800 -0.018 0.000 2.364 545 Q HA -0.186 4.133 4.340 -0.034 0.000 0.209 545 Q C 1.908 177.899 176.000 -0.015 0.000 0.977 545 Q CA 1.467 57.270 55.803 0.001 0.000 0.885 545 Q CB 0.053 28.861 28.738 0.118 0.000 0.941 545 Q HN 0.292 nan 8.270 nan 0.000 0.464 546 K N -0.498 119.899 120.400 -0.005 0.000 2.243 546 K HA 0.049 4.349 4.320 -0.034 0.000 0.201 546 K C 0.454 177.042 176.600 -0.019 0.000 1.051 546 K CA 0.591 56.877 56.287 -0.001 0.000 0.970 546 K CB 0.029 32.539 32.500 0.016 0.000 0.755 546 K HN 0.241 nan 8.250 nan 0.000 0.465 547 V N 1.199 121.092 119.914 -0.034 0.000 2.953 547 V HA 0.015 4.114 4.120 -0.034 0.000 0.304 547 V C -0.009 176.076 176.094 -0.015 0.000 1.138 547 V CA -0.242 62.065 62.300 0.011 0.000 1.266 547 V CB 0.734 32.593 31.823 0.060 0.000 0.923 547 V HN 0.286 nan 8.190 nan 0.000 0.505 548 S N 2.688 118.430 115.700 0.070 0.000 2.607 548 S HA 0.591 5.040 4.470 -0.034 0.000 0.273 548 S C -0.156 174.534 174.600 0.149 0.000 1.148 548 S CA -0.371 57.850 58.200 0.035 0.000 0.833 548 S CB 1.387 64.591 63.200 0.008 0.000 1.130 548 S HN 0.749 nan 8.310 nan 0.000 0.470 549 F N 1.603 121.536 119.950 -0.027 0.000 2.259 549 F HA 0.051 4.557 4.527 -0.034 0.000 0.298 549 F C 2.533 178.309 175.800 -0.041 0.000 1.088 549 F CA 1.716 59.716 58.000 0.000 0.000 1.358 549 F CB -0.170 38.699 39.000 -0.219 0.000 1.040 549 F HN 0.661 nan 8.300 nan 0.000 0.505 550 S N 0.084 115.850 115.700 0.110 0.000 2.359 550 S HA -0.257 4.192 4.470 -0.034 0.000 0.224 550 S C 1.972 176.568 174.600 -0.005 0.000 1.035 550 S CA 1.490 59.707 58.200 0.029 0.000 1.018 550 S CB -0.353 62.819 63.200 -0.047 0.000 0.876 550 S HN 0.229 nan 8.310 nan 0.000 0.448 551 R N 1.201 121.690 120.500 -0.019 0.000 2.120 551 R HA 0.053 4.372 4.340 -0.034 0.000 0.234 551 R C 2.101 178.341 176.300 -0.100 0.000 1.123 551 R CA 0.887 56.961 56.100 -0.044 0.000 0.975 551 R CB -0.734 29.547 30.300 -0.030 0.000 0.866 551 R HN 0.437 nan 8.270 nan 0.000 0.446 552 L N -0.243 120.886 121.223 -0.157 0.000 2.093 552 L HA 0.003 4.322 4.340 -0.034 0.000 0.208 552 L C 1.825 178.509 176.870 -0.311 0.000 1.085 552 L CA 1.527 56.160 54.840 -0.344 0.000 0.755 552 L CB -0.174 41.514 42.059 -0.618 0.000 0.904 552 L HN 0.220 nan 8.230 nan 0.000 0.435 553 I N -1.271 119.168 120.570 -0.218 0.000 2.113 553 I HA -0.362 3.788 4.170 -0.034 0.000 0.238 553 I C 2.573 178.646 176.117 -0.073 0.000 1.070 553 I CA 1.411 62.651 61.300 -0.099 0.000 1.332 553 I CB -0.701 37.327 38.000 0.046 0.000 1.044 553 I HN 0.371 nan 8.210 nan 0.000 0.402 554 c N 1.115 119.692 118.600 -0.038 0.000 2.349 554 c HA -0.261 4.289 4.570 -0.034 0.000 0.274 554 c C 2.290 176.348 174.090 -0.053 0.000 1.178 554 c CA 1.293 57.610 56.329 -0.020 0.000 1.769 554 c CB -1.152 41.350 42.510 -0.013 0.000 2.047 554 c HN 0.538 nan 8.230 nan 0.000 0.448 555 D N -0.101 120.243 120.400 -0.093 0.000 2.378 555 D HA -0.030 4.590 4.640 -0.034 0.000 0.227 555 D C 1.263 177.483 176.300 -0.134 0.000 1.012 555 D CA 0.807 54.741 54.000 -0.110 0.000 0.905 555 D CB -0.480 40.239 40.800 -0.136 0.000 0.895 555 D HN 0.641 nan 8.370 nan 0.000 0.532 556 N N -0.425 118.185 118.700 -0.151 0.000 2.118 556 N HA 0.006 4.725 4.740 -0.034 0.000 0.226 556 N C 0.220 175.609 175.510 -0.202 0.000 1.305 556 N CA 0.215 53.159 53.050 -0.176 0.000 0.890 556 N CB 1.882 40.246 38.487 -0.204 0.000 1.118 556 N HN 0.192 nan 8.380 nan 0.000 0.511 557 T N -3.202 111.237 114.554 -0.190 0.000 2.654 557 T HA 0.360 4.690 4.350 -0.034 0.000 0.289 557 T C 0.069 174.640 174.700 -0.214 0.000 1.062 557 T CA -0.444 61.489 62.100 -0.279 0.000 1.041 557 T CB 1.350 70.123 68.868 -0.159 0.000 1.417 557 T HN 0.031 nan 8.240 nan 0.000 0.510 558 H N -0.833 118.221 119.070 -0.028 0.000 2.505 558 H HA 0.455 4.990 4.556 -0.035 0.000 0.289 558 H C -0.041 175.295 175.328 0.013 0.000 1.052 558 H CA -0.510 55.530 56.048 -0.013 0.000 1.156 558 H CB -0.138 29.617 29.762 -0.011 0.000 1.507 558 H HN 0.284 nan 8.280 nan 0.000 0.548 559 I N 1.650 122.284 120.570 0.106 0.000 2.496 559 I HA -0.016 4.133 4.170 -0.034 0.000 0.285 559 I C 1.209 177.415 176.117 0.149 0.000 1.080 559 I CA 0.306 61.684 61.300 0.131 0.000 1.404 559 I CB 1.309 39.389 38.000 0.134 0.000 1.403 559 I HN 0.264 nan 8.210 nan 0.000 0.539 560 T N 1.046 115.712 114.554 0.187 0.000 3.058 560 T HA 0.262 4.592 4.350 -0.034 0.000 0.278 560 T C 0.354 175.180 174.700 0.209 0.000 0.974 560 T CA -0.354 61.842 62.100 0.159 0.000 0.893 560 T CB 0.280 69.223 68.868 0.126 0.000 1.138 560 T HN 0.293 nan 8.240 nan 0.000 0.529 561 K N 2.513 123.110 120.400 0.329 0.000 2.450 561 K HA 0.652 4.952 4.320 -0.034 0.000 0.257 561 K C -0.730 176.218 176.600 0.579 0.000 0.953 561 K CA -0.539 56.012 56.287 0.440 0.000 0.844 561 K CB 2.442 35.286 32.500 0.573 0.000 1.103 561 K HN 0.333 nan 8.250 nan 0.000 0.429 562 V N -0.110 119.998 119.914 0.324 0.000 3.078 562 V HA 0.703 4.803 4.120 -0.034 0.000 0.311 562 V C -2.755 173.100 176.094 -0.399 0.000 1.138 562 V CA -2.533 59.761 62.300 -0.011 0.000 1.007 562 V CB 2.343 34.173 31.823 0.011 0.000 1.045 562 V HN 0.450 nan 8.190 nan 0.000 0.432 563 P HA 0.446 nan 4.420 nan 0.000 0.278 563 P C 0.569 177.682 177.300 -0.312 0.000 1.258 563 P CA -0.508 62.250 63.100 -0.570 0.000 0.811 563 P CB 1.813 33.140 31.700 -0.621 0.000 1.063 564 L N 0.129 121.178 121.223 -0.291 0.000 2.095 564 L HA 0.002 4.321 4.340 -0.034 0.000 0.204 564 L C 1.175 177.777 176.870 -0.446 0.000 1.080 564 L CA 1.047 55.655 54.840 -0.387 0.000 0.759 564 L CB -0.658 41.094 42.059 -0.511 0.000 0.914 564 L HN 0.411 nan 8.230 nan 0.000 0.439 565 H N 0.054 119.081 119.070 -0.071 0.000 2.746 565 H HA 0.311 4.863 4.556 -0.007 0.000 0.269 565 H C 0.789 176.075 175.328 -0.071 0.000 1.248 565 H CA 0.050 56.079 56.048 -0.030 0.000 1.258 565 H CB 1.062 30.818 29.762 -0.009 0.000 1.441 565 H HN 0.118 nan 8.280 nan 0.000 0.508 566 A N 2.362 125.154 122.820 -0.045 0.000 2.119 566 A HA -0.056 4.243 4.320 -0.034 0.000 0.217 566 A C 1.263 178.645 177.584 -0.338 0.000 1.153 566 A CA 0.639 52.543 52.037 -0.222 0.000 0.692 566 A CB -0.399 18.431 19.000 -0.284 0.000 0.799 566 A HN 0.404 nan 8.150 nan 0.000 0.458 567 F N 0.238 120.184 119.950 -0.007 0.000 2.698 567 F HA 0.090 4.594 4.527 -0.039 0.000 0.295 567 F C 1.557 177.341 175.800 -0.026 0.000 1.124 567 F CA 0.466 58.481 58.000 0.026 0.000 1.426 567 F CB -0.014 39.032 39.000 0.076 0.000 1.120 567 F HN 0.411 nan 8.300 nan 0.000 0.583 568 Q N 1.305 121.173 119.800 0.113 0.000 2.317 568 Q HA 0.544 4.863 4.340 -0.034 0.000 0.229 568 Q C -0.143 175.868 176.000 0.019 0.000 0.984 568 Q CA -0.687 55.132 55.803 0.027 0.000 0.911 568 Q CB 1.239 29.983 28.738 0.009 0.000 1.217 568 Q HN 0.110 nan 8.270 nan 0.000 0.501 569 A N 2.690 125.516 122.820 0.010 0.000 2.491 569 A HA 0.189 4.488 4.320 -0.034 0.000 0.261 569 A C -0.857 176.756 177.584 0.048 0.000 1.101 569 A CA -0.210 51.849 52.037 0.036 0.000 0.772 569 A CB -0.596 18.423 19.000 0.031 0.000 1.043 569 A HN 0.828 nan 8.150 nan 0.000 0.501 570 N N 2.401 121.150 118.700 0.083 0.000 2.346 570 N HA 0.316 5.035 4.740 -0.034 0.000 0.289 570 N C -1.282 174.422 175.510 0.324 0.000 1.027 570 N CA -0.682 52.443 53.050 0.125 0.000 0.864 570 N CB 1.454 39.895 38.487 -0.076 0.000 1.370 570 N HN 0.658 nan 8.380 nan 0.000 0.481 571 N N 1.463 120.347 118.700 0.307 0.000 2.430 571 N HA 0.184 4.904 4.740 -0.034 0.000 0.292 571 N C -1.371 174.331 175.510 0.319 0.000 1.051 571 N CA -0.254 52.957 53.050 0.269 0.000 0.917 571 N CB 1.570 40.134 38.487 0.129 0.000 1.164 571 N HN 0.496 nan 8.380 nan 0.000 0.484 572 Y N 2.475 122.737 120.300 -0.064 0.000 2.361 572 Y HA 0.388 4.917 4.550 -0.035 0.000 0.332 572 Y C -1.377 174.442 175.900 -0.136 0.000 1.101 572 Y CA -1.482 56.392 58.100 -0.377 0.000 1.137 572 Y CB 1.271 39.188 38.460 -0.905 0.000 1.207 572 Y HN 0.475 nan 8.280 nan 0.000 0.463 573 P HA -0.003 nan 4.420 nan 0.000 0.261 573 P C 1.074 178.247 177.300 -0.212 0.000 1.268 573 P CA 0.617 63.185 63.100 -0.886 0.000 0.833 573 P CB 0.064 31.145 31.700 -1.032 0.000 1.231 574 H N 1.706 120.707 119.070 -0.116 0.000 2.319 574 H HA -0.115 4.418 4.556 -0.038 0.000 0.299 574 H C 0.426 175.770 175.328 0.027 0.000 1.092 574 H CA 1.710 57.739 56.048 -0.031 0.000 1.302 574 H CB -0.220 29.539 29.762 -0.005 0.000 1.373 574 H HN 0.031 nan 8.280 nan 0.000 0.497 575 D N -0.461 120.196 120.400 0.428 0.000 2.328 575 D HA 0.034 4.653 4.640 -0.034 0.000 0.226 575 D C -0.272 176.107 176.300 0.131 0.000 1.066 575 D CA 0.079 54.262 54.000 0.305 0.000 0.861 575 D CB -0.171 40.781 40.800 0.253 0.000 0.912 575 D HN 0.102 nan 8.370 nan 0.000 0.521 576 F N 0.548 120.457 119.950 -0.069 0.000 2.483 576 F HA 0.343 4.851 4.527 -0.031 0.000 0.329 576 F C 0.571 176.309 175.800 -0.103 0.000 1.064 576 F CA -1.116 56.832 58.000 -0.087 0.000 0.986 576 F CB 1.575 40.498 39.000 -0.127 0.000 1.218 576 F HN -0.298 nan 8.300 nan 0.000 0.484 577 V N -1.262 118.703 119.914 0.085 0.000 3.160 577 V HA 0.580 4.680 4.120 -0.034 0.000 0.310 577 V C -1.203 174.936 176.094 0.074 0.000 1.181 577 V CA -1.087 61.232 62.300 0.032 0.000 1.047 577 V CB 1.737 33.547 31.823 -0.023 0.000 1.068 577 V HN 0.675 nan 8.190 nan 0.000 0.441 578 D N 0.529 120.957 120.400 0.047 0.000 2.345 578 D HA 0.244 4.864 4.640 -0.034 0.000 0.247 578 D C 0.994 177.320 176.300 0.043 0.000 1.108 578 D CA 0.362 54.398 54.000 0.061 0.000 0.894 578 D CB 1.579 42.404 40.800 0.040 0.000 1.203 578 D HN 0.714 nan 8.370 nan 0.000 0.430 579 c N 1.664 120.297 118.600 0.056 0.000 2.403 579 c HA -0.145 4.405 4.570 -0.034 0.000 0.277 579 c C 2.685 176.782 174.090 0.011 0.000 1.248 579 c CA 1.089 57.439 56.329 0.034 0.000 1.762 579 c CB -1.071 41.464 42.510 0.043 0.000 2.014 579 c HN 0.736 nan 8.230 nan 0.000 0.486 580 S N 0.273 115.980 115.700 0.012 0.000 2.419 580 S HA -0.164 4.285 4.470 -0.034 0.000 0.235 580 S C 1.714 176.311 174.600 -0.005 0.000 1.019 580 S CA 1.793 59.994 58.200 0.002 0.000 0.982 580 S CB -0.556 62.646 63.200 0.004 0.000 0.789 580 S HN 0.916 nan 8.310 nan 0.000 0.490 581 T N -0.250 114.300 114.554 -0.007 0.000 3.317 581 T HA 0.227 4.556 4.350 -0.034 0.000 0.250 581 T C 0.158 174.843 174.700 -0.025 0.000 1.106 581 T CA -0.167 61.924 62.100 -0.015 0.000 0.986 581 T CB -0.466 68.391 68.868 -0.018 0.000 1.010 581 T HN 0.024 nan 8.240 nan 0.000 0.560 582 V N 2.410 122.310 119.914 -0.024 0.000 2.378 582 V HA 0.279 4.378 4.120 -0.034 0.000 0.288 582 V C -0.448 175.630 176.094 -0.028 0.000 1.016 582 V CA -1.454 60.826 62.300 -0.035 0.000 0.840 582 V CB 1.198 32.997 31.823 -0.040 0.000 0.994 582 V HN 0.370 nan 8.190 nan 0.000 0.431 583 D N 4.664 125.048 120.400 -0.025 0.000 2.662 583 D HA -0.001 4.618 4.640 -0.034 0.000 0.233 583 D C 0.289 176.577 176.300 -0.020 0.000 1.129 583 D CA 0.894 54.884 54.000 -0.016 0.000 0.851 583 D CB 0.748 41.543 40.800 -0.009 0.000 1.152 583 D HN 0.515 nan 8.370 nan 0.000 0.507 584 K N 1.023 121.411 120.400 -0.019 0.000 2.132 584 K HA 0.413 4.712 4.320 -0.034 0.000 0.241 584 K C 0.032 176.615 176.600 -0.029 0.000 1.000 584 K CA -1.124 55.144 56.287 -0.032 0.000 0.911 584 K CB 1.041 33.519 32.500 -0.037 0.000 1.093 584 K HN 0.179 nan 8.250 nan 0.000 0.460 585 L N 2.257 123.446 121.223 -0.056 0.000 2.356 585 L HA 0.121 4.440 4.340 -0.034 0.000 0.282 585 L C -0.699 176.133 176.870 -0.064 0.000 1.132 585 L CA -0.147 54.653 54.840 -0.067 0.000 0.923 585 L CB -0.412 41.569 42.059 -0.129 0.000 1.278 585 L HN 0.434 nan 8.230 nan 0.000 0.436 586 D N 3.976 124.378 120.400 0.005 0.000 2.382 586 D HA -0.003 4.616 4.640 -0.034 0.000 0.259 586 D C 0.609 176.968 176.300 0.098 0.000 1.224 586 D CA 0.347 54.370 54.000 0.039 0.000 0.894 586 D CB 0.646 41.486 40.800 0.068 0.000 1.127 586 D HN 0.640 nan 8.370 nan 0.000 0.487 587 L N 3.364 124.606 121.223 0.033 0.000 2.653 587 L HA 0.011 4.330 4.340 -0.034 0.000 0.232 587 L C 2.021 179.065 176.870 0.290 0.000 1.169 587 L CA 0.067 54.963 54.840 0.093 0.000 0.951 587 L CB -0.382 41.565 42.059 -0.186 0.000 1.181 587 L HN 0.479 nan 8.230 nan 0.000 0.460 588 S N 0.358 116.183 115.700 0.209 0.000 2.399 588 S HA -0.047 4.403 4.470 -0.034 0.000 0.231 588 S C -0.511 174.207 174.600 0.196 0.000 1.022 588 S CA 0.530 58.826 58.200 0.159 0.000 0.983 588 S CB -1.203 62.052 63.200 0.091 0.000 0.803 588 S HN 0.229 nan 8.310 nan 0.000 0.480 589 P HA 0.013 nan 4.420 nan 0.000 0.236 589 P C 0.549 177.869 177.300 0.034 0.000 1.172 589 P CA 0.693 63.848 63.100 0.092 0.000 0.759 589 P CB -0.223 31.463 31.700 -0.023 0.000 0.843 590 W N -0.716 120.637 121.300 0.089 0.000 3.220 590 W HA 0.403 5.041 4.660 -0.036 0.000 0.328 590 W C 0.432 177.003 176.519 0.086 0.000 1.205 590 W CA -0.509 56.925 57.345 0.149 0.000 1.773 590 W CB 0.085 29.632 29.460 0.145 0.000 1.086 590 W HN -0.160 nan 8.180 nan 0.000 0.622 591 A N 1.637 124.584 122.820 0.211 0.000 2.545 591 A HA 0.155 4.454 4.320 -0.034 0.000 0.253 591 A C 0.421 178.078 177.584 0.122 0.000 1.074 591 A CA 0.779 52.865 52.037 0.082 0.000 0.760 591 A CB 0.162 19.199 19.000 0.061 0.000 1.005 591 A HN -0.003 nan 8.150 nan 0.000 0.506 592 S N 2.620 118.386 115.700 0.111 0.000 2.429 592 S HA 0.525 4.974 4.470 -0.034 0.000 0.302 592 S C -0.028 174.707 174.600 0.223 0.000 1.115 592 S CA -0.729 57.632 58.200 0.269 0.000 1.095 592 S CB 0.287 63.821 63.200 0.558 0.000 0.987 592 S HN 0.747 nan 8.310 nan 0.000 0.474 593 R N 4.206 124.795 120.500 0.148 0.000 2.407 593 R HA 0.317 4.636 4.340 -0.034 0.000 0.298 593 R C 0.090 176.414 176.300 0.039 0.000 1.166 593 R CA -0.238 55.902 56.100 0.067 0.000 1.006 593 R CB 0.542 30.868 30.300 0.044 0.000 1.145 593 R HN 0.786 nan 8.270 nan 0.000 0.538 594 E N 1.406 121.592 120.200 -0.022 0.000 2.307 594 E HA 0.093 4.422 4.350 -0.034 0.000 0.195 594 E C 0.164 176.740 176.600 -0.041 0.000 0.975 594 E CA 0.169 56.555 56.400 -0.024 0.000 0.878 594 E CB 0.516 30.194 29.700 -0.036 0.000 0.845 594 E HN 0.441 nan 8.360 nan 0.000 0.488 595 N N 0.000 118.660 118.700 -0.067 0.000 1.763 595 N HA 0.000 4.719 4.740 -0.034 0.000 0.220 595 N CA 0.000 53.025 53.050 -0.042 0.000 0.885 595 N CB 0.000 38.462 38.487 -0.041 0.000 1.341 595 N HN 0.000 nan 8.380 nan 0.000 0.667