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 3niu_1_A DATA FIRST_RESID 1 DATA SEQUENCE SWEVGcGAPV PLVTcDEQSP YRTITGDcNN RRSPALGAAN RALARWLPAE DATA SEQUENCE YEDGLAVPFG WTQRKTRNGF RVPLAREVSN KIVGYLDEEG VLDQNRSLLF DATA SEQUENCE MQWGQIVDHD LDFAPETELG SSEHSKVQcE EYcVQGDEcF PIMFPKNDPK DATA SEQUENCE LKTQGKcMPF FRAGFVcPTP PYQSLARDQI NAVTSFLDAS LVYGSEPXLA DATA SEQUENCE SRLRNLSSPL GLMAVNQEAW DHGLAYPPFN NVKPSPcEFI NTTAHVPcFQ DATA SEQUENCE AGDSRASEQI LLATVHTLLL REHNRLAREL KRLNPHWDGE MLYQEARKIL DATA SEQUENCE GAFIQIITFR DYLPIVLGSE MQKWIPPYQG YNNSVDPRIS NVFTFAFRFG DATA SEQUENCE HMEVPSTVSR LDENYQPWGP EAELPLHTLF FNTWRIIKDG GIDPLVRGLL DATA SEQUENCE AKNSKLMNQN KMVTSELRNK LFQPTHKVHG FDLAAINLQR CRDHGMPGYN DATA SEQUENCE SWRGFcGLSQ PKTLKGLQAV LKNKVLAKKL LDLYKTPDNI DIWIGGNAEP DATA SEQUENCE MVERGRVGPL LAcLLGRQFQ QIRDGDRFWW ENPGVFTEKQ RDSLQKVSFS DATA SEQUENCE RLIcDNTHIT KVPLHAFQAN NYPHDFVDcS AVDKLDLSPW 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 0.000 174.429 174.600 -0.284 0.000 1.055 1 S CA 0.000 58.136 58.200 -0.107 0.000 1.107 1 S CB 0.000 63.085 63.200 -0.191 0.000 0.593 2 W N 1.515 122.830 121.300 0.026 0.000 3.075 2 W HA 0.639 4.872 4.660 -0.711 0.000 0.334 2 W C 0.397 176.932 176.519 0.027 0.000 1.288 2 W CA -0.796 56.563 57.345 0.023 0.000 1.095 2 W CB 0.038 29.510 29.460 0.020 0.000 1.564 2 W HN 0.040 nan 8.180 nan 0.000 0.629 3 E N 0.775 121.176 120.200 0.334 0.000 3.587 3 E HA -0.120 3.804 4.350 -0.710 0.000 0.235 3 E C 0.655 177.333 176.600 0.132 0.000 0.912 3 E CA 0.427 56.939 56.400 0.187 0.000 0.933 3 E CB -0.165 29.632 29.700 0.161 0.000 0.865 3 E HN 0.427 nan 8.360 nan 0.000 0.567 4 V N 1.653 121.625 119.914 0.096 0.000 3.590 4 V HA 0.305 3.998 4.120 -0.710 0.000 0.265 4 V C 1.377 177.512 176.094 0.067 0.000 1.239 4 V CA 0.842 63.189 62.300 0.078 0.000 1.117 4 V CB 0.629 32.487 31.823 0.059 0.000 0.818 4 V HN 0.469 nan 8.190 nan 0.000 0.451 5 G N -0.683 108.155 108.800 0.063 0.000 3.820 5 G HA2 0.234 3.767 3.960 -0.710 0.000 0.293 5 G HA3 0.234 3.767 3.960 -0.710 0.000 0.293 5 G C 0.187 175.119 174.900 0.053 0.000 1.152 5 G CA 0.233 45.365 45.100 0.054 0.000 0.921 5 G HN 0.428 nan 8.290 nan 0.000 0.544 6 c N -0.367 118.269 118.600 0.059 0.000 2.480 6 c HA 0.906 5.050 4.570 -0.710 0.000 0.344 6 c C 1.227 175.342 174.090 0.042 0.000 1.380 6 c CA 1.340 57.701 56.329 0.053 0.000 2.386 6 c CB 0.449 42.997 42.510 0.063 0.000 2.210 6 c HN 1.133 nan 8.230 nan 0.000 0.640 7 G N -0.253 108.565 108.800 0.030 0.000 2.353 7 G HA2 0.496 4.030 3.960 -0.710 0.000 0.615 7 G HA3 0.496 4.030 3.960 -0.710 0.000 0.615 7 G C -0.840 174.060 174.900 -0.001 0.000 1.280 7 G CA -0.113 44.996 45.100 0.015 0.000 1.000 7 G HN 1.949 nan 8.290 nan 0.000 0.516 8 A N 0.771 123.583 122.820 -0.014 0.000 3.448 8 A HA 0.739 4.633 4.320 -0.710 0.000 0.232 8 A C -1.289 176.283 177.584 -0.020 0.000 1.018 8 A CA 0.521 52.545 52.037 -0.022 0.000 0.996 8 A CB 0.315 19.288 19.000 -0.044 0.000 1.283 8 A HN 0.907 nan 8.150 nan 0.000 0.586 9 P HA 0.503 nan 4.420 nan 0.000 0.344 9 P C -0.118 177.186 177.300 0.007 0.000 1.321 9 P CA -0.438 62.664 63.100 0.004 0.000 0.773 9 P CB 0.304 32.016 31.700 0.020 0.000 1.723 10 V N 1.913 121.838 119.914 0.018 0.000 2.446 10 V HA 0.041 3.735 4.120 -0.710 0.000 0.276 10 V C -1.150 174.956 176.094 0.021 0.000 1.030 10 V CA -0.431 61.881 62.300 0.019 0.000 1.033 10 V CB 0.012 31.852 31.823 0.028 0.000 0.993 10 V HN 0.529 nan 8.190 nan 0.000 0.477 11 P HA 0.006 nan 4.420 nan 0.000 0.223 11 P C -0.217 177.095 177.300 0.020 0.000 1.151 11 P CA 0.684 63.794 63.100 0.016 0.000 0.787 11 P CB 0.022 31.727 31.700 0.010 0.000 0.788 12 L N -3.608 117.628 121.223 0.021 0.000 2.471 12 L HA 0.645 4.559 4.340 -0.710 0.000 0.263 12 L C -0.974 175.912 176.870 0.027 0.000 0.985 12 L CA -0.732 54.121 54.840 0.023 0.000 0.868 12 L CB 1.793 43.862 42.059 0.017 0.000 1.203 12 L HN -0.444 nan 8.230 nan 0.000 0.429 13 V N 1.640 121.574 119.914 0.033 0.000 2.555 13 V HA 0.512 4.206 4.120 -0.710 0.000 0.283 13 V C 0.215 176.334 176.094 0.041 0.000 1.020 13 V CA 0.053 62.376 62.300 0.038 0.000 0.883 13 V CB 2.035 33.886 31.823 0.047 0.000 1.030 13 V HN 0.903 nan 8.190 nan 0.000 0.448 14 T N 0.817 115.392 114.554 0.036 0.000 2.907 14 T HA 0.505 4.429 4.350 -0.710 0.000 0.284 14 T C 0.015 174.740 174.700 0.041 0.000 1.004 14 T CA -0.510 61.613 62.100 0.037 0.000 1.063 14 T CB 1.303 70.189 68.868 0.030 0.000 0.992 14 T HN 0.539 nan 8.240 nan 0.000 0.483 15 c N 3.068 121.694 118.600 0.044 0.000 2.435 15 c HA 0.305 4.449 4.570 -0.710 0.000 0.375 15 c C 1.838 175.953 174.090 0.042 0.000 1.281 15 c CA -0.456 55.903 56.329 0.050 0.000 1.963 15 c CB -0.100 42.445 42.510 0.057 0.000 2.490 15 c HN 1.069 nan 8.230 nan 0.000 0.557 16 D N 0.884 121.310 120.400 0.044 0.000 2.277 16 D HA -0.079 4.135 4.640 -0.710 0.000 0.208 16 D C 1.394 177.713 176.300 0.031 0.000 0.962 16 D CA 0.883 54.904 54.000 0.036 0.000 0.865 16 D CB 0.211 41.034 40.800 0.038 0.000 0.939 16 D HN 0.826 nan 8.370 nan 0.000 0.510 17 E N -1.215 119.009 120.200 0.040 0.000 4.570 17 E HA -0.262 3.662 4.350 -0.710 0.000 0.259 17 E C 0.913 177.520 176.600 0.011 0.000 0.782 17 E CA 1.314 57.732 56.400 0.029 0.000 1.422 17 E CB -0.714 28.999 29.700 0.022 0.000 1.734 17 E HN 0.334 nan 8.360 nan 0.000 0.390 18 Q N -0.259 119.545 119.800 0.007 0.000 2.189 18 Q HA 0.187 4.101 4.340 -0.710 0.000 0.223 18 Q C 0.183 176.167 176.000 -0.028 0.000 0.828 18 Q CA 0.171 55.965 55.803 -0.015 0.000 0.967 18 Q CB 1.438 30.167 28.738 -0.016 0.000 1.139 18 Q HN 0.077 nan 8.270 nan 0.000 0.497 19 S N 3.115 118.813 115.700 -0.004 0.000 2.531 19 S HA 0.174 4.218 4.470 -0.710 0.000 0.279 19 S C -1.595 172.968 174.600 -0.061 0.000 1.305 19 S CA -0.967 57.213 58.200 -0.034 0.000 1.058 19 S CB 0.732 63.947 63.200 0.025 0.000 0.899 19 S HN 0.038 nan 8.310 nan 0.000 0.493 20 P HA 0.169 nan 4.420 nan 0.000 0.255 20 P C -0.962 176.059 177.300 -0.465 0.000 1.301 20 P CA 0.191 63.076 63.100 -0.357 0.000 0.817 20 P CB -0.249 31.101 31.700 -0.583 0.000 1.259 21 Y N -0.410 119.832 120.300 -0.097 0.000 2.524 21 Y HA 0.463 4.586 4.550 -0.711 0.000 0.344 21 Y C 1.265 176.766 175.900 -0.665 0.000 1.012 21 Y CA -1.459 56.434 58.100 -0.344 0.000 1.068 21 Y CB 1.666 39.989 38.460 -0.229 0.000 1.249 21 Y HN -0.379 nan 8.280 nan 0.000 0.468 22 R N 0.539 120.621 120.500 -0.696 0.000 2.641 22 R HA 0.225 4.138 4.340 -0.710 0.000 0.269 22 R C -0.088 176.052 176.300 -0.267 0.000 1.074 22 R CA -0.261 55.416 56.100 -0.705 0.000 1.133 22 R CB 0.426 30.404 30.300 -0.537 0.000 1.029 22 R HN 0.724 nan 8.270 nan 0.000 0.488 23 T N -0.980 113.481 114.554 -0.155 0.000 2.913 23 T HA 0.180 4.104 4.350 -0.710 0.000 0.287 23 T C 1.640 176.341 174.700 0.001 0.000 1.008 23 T CA -0.924 61.156 62.100 -0.034 0.000 1.067 23 T CB 0.758 69.638 68.868 0.021 0.000 0.996 23 T HN 0.292 nan 8.240 nan 0.000 0.513 24 I N 2.342 122.932 120.570 0.034 0.000 2.179 24 I HA -0.160 3.584 4.170 -0.710 0.000 0.242 24 I C 2.928 179.105 176.117 0.100 0.000 1.088 24 I CA 2.102 63.445 61.300 0.072 0.000 1.357 24 I CB -1.779 36.271 38.000 0.084 0.000 1.051 24 I HN 0.958 nan 8.210 nan 0.000 0.409 25 T N -1.590 113.020 114.554 0.093 0.000 2.962 25 T HA 0.073 3.996 4.350 -0.710 0.000 0.270 25 T C 1.644 176.437 174.700 0.154 0.000 1.088 25 T CA 1.048 63.213 62.100 0.109 0.000 1.127 25 T CB -0.206 68.715 68.868 0.088 0.000 0.883 25 T HN 0.537 nan 8.240 nan 0.000 0.493 26 G N 1.123 110.026 108.800 0.172 0.000 2.176 26 G HA2 -0.188 3.346 3.960 -0.710 0.000 0.232 26 G HA3 -0.188 3.346 3.960 -0.710 0.000 0.232 26 G C -0.227 174.850 174.900 0.294 0.000 0.986 26 G CA 0.005 45.281 45.100 0.292 0.000 0.643 26 G HN 0.592 nan 8.290 nan 0.000 0.522 27 D N -0.658 119.853 120.400 0.185 0.000 2.363 27 D HA 0.346 4.560 4.640 -0.710 0.000 0.240 27 D C 1.543 177.929 176.300 0.143 0.000 1.236 27 D CA 0.969 55.066 54.000 0.162 0.000 0.927 27 D CB 0.831 41.699 40.800 0.115 0.000 1.150 27 D HN 0.715 nan 8.370 nan 0.000 0.458 28 c N 0.368 119.052 118.600 0.140 0.000 4.400 28 c HA -0.160 3.984 4.570 -0.710 0.000 0.275 28 c C 1.926 176.108 174.090 0.154 0.000 1.391 28 c CA 0.063 56.470 56.329 0.129 0.000 1.816 28 c CB -2.658 39.916 42.510 0.108 0.000 1.404 28 c HN 0.742 nan 8.230 nan 0.000 0.754 29 N N 1.535 120.328 118.700 0.156 0.000 2.109 29 N HA -0.080 4.234 4.740 -0.710 0.000 0.188 29 N C 0.469 176.039 175.510 0.100 0.000 1.034 29 N CA 1.114 54.222 53.050 0.096 0.000 0.846 29 N CB -0.058 38.349 38.487 -0.133 0.000 1.010 29 N HN 0.768 nan 8.380 nan 0.000 0.425 30 N N 0.907 119.727 118.700 0.201 0.000 2.419 30 N HA 0.078 4.392 4.740 -0.710 0.000 0.264 30 N C 0.619 176.220 175.510 0.153 0.000 1.031 30 N CA -0.071 53.110 53.050 0.219 0.000 0.951 30 N CB 1.019 39.654 38.487 0.246 0.000 1.101 30 N HN 0.141 nan 8.380 nan 0.000 0.488 31 R N 2.188 122.766 120.500 0.129 0.000 2.090 31 R HA 0.016 3.930 4.340 -0.710 0.000 0.228 31 R C 2.096 178.445 176.300 0.081 0.000 1.110 31 R CA 0.987 57.141 56.100 0.090 0.000 0.973 31 R CB 0.089 30.431 30.300 0.070 0.000 0.869 31 R HN 0.558 nan 8.270 nan 0.000 0.440 32 R N -0.366 120.184 120.500 0.084 0.000 2.062 32 R HA 0.030 3.944 4.340 -0.710 0.000 0.229 32 R C 0.198 176.541 176.300 0.072 0.000 1.128 32 R CA 1.250 57.391 56.100 0.067 0.000 0.960 32 R CB 0.061 30.395 30.300 0.057 0.000 0.855 32 R HN -0.028 nan 8.270 nan 0.000 0.432 33 S N 0.449 116.205 115.700 0.093 0.000 2.406 33 S HA 0.323 4.367 4.470 -0.710 0.000 0.224 33 S C -2.159 172.512 174.600 0.118 0.000 1.426 33 S CA -1.823 56.434 58.200 0.096 0.000 1.179 33 S CB 1.548 64.806 63.200 0.097 0.000 1.042 33 S HN 0.080 nan 8.310 nan 0.000 0.479 34 P HA -0.058 nan 4.420 nan 0.000 0.217 34 P C 0.823 178.205 177.300 0.136 0.000 1.148 34 P CA 0.909 64.078 63.100 0.116 0.000 0.828 34 P CB 0.193 31.947 31.700 0.090 0.000 0.783 35 A N -1.848 121.046 122.820 0.123 0.000 2.307 35 A HA 0.137 4.031 4.320 -0.710 0.000 0.218 35 A C 0.598 178.266 177.584 0.140 0.000 1.228 35 A CA -0.160 51.951 52.037 0.124 0.000 0.857 35 A CB -0.855 18.201 19.000 0.093 0.000 0.897 35 A HN 0.073 nan 8.150 nan 0.000 0.495 36 L N 0.687 122.011 121.223 0.169 0.000 2.385 36 L HA 0.508 4.421 4.340 -0.710 0.000 0.281 36 L C 1.270 178.273 176.870 0.222 0.000 1.106 36 L CA 1.415 56.359 54.840 0.173 0.000 0.856 36 L CB 0.237 42.406 42.059 0.184 0.000 1.186 36 L HN 0.604 nan 8.230 nan 0.000 0.453 37 G N 2.881 111.725 108.800 0.074 0.000 2.176 37 G HA2 -0.179 3.354 3.960 -0.710 0.000 0.232 37 G HA3 -0.179 3.354 3.960 -0.710 0.000 0.232 37 G C 0.454 175.333 174.900 -0.034 0.000 0.986 37 G CA 0.070 45.063 45.100 -0.177 0.000 0.643 37 G HN 1.044 nan 8.290 nan 0.000 0.522 38 A N 0.149 123.045 122.820 0.126 0.000 2.346 38 A HA 0.888 4.782 4.320 -0.710 0.000 0.252 38 A C 1.023 178.660 177.584 0.088 0.000 1.089 38 A CA 1.022 53.150 52.037 0.151 0.000 0.797 38 A CB 0.436 19.524 19.000 0.146 0.000 1.047 38 A HN 2.058 nan 8.150 nan 0.000 0.494 39 A N 0.143 123.021 122.820 0.097 0.000 2.287 39 A HA 0.522 4.416 4.320 -0.710 0.000 0.273 39 A C 0.755 178.368 177.584 0.050 0.000 1.091 39 A CA 0.036 52.118 52.037 0.074 0.000 0.817 39 A CB -0.151 18.902 19.000 0.089 0.000 1.069 39 A HN 1.281 nan 8.150 nan 0.000 0.492 40 N N -0.951 117.766 118.700 0.029 0.000 2.782 40 N HA -0.134 4.180 4.740 -0.710 0.000 0.251 40 N C -0.213 175.298 175.510 0.002 0.000 1.101 40 N CA 1.571 54.623 53.050 0.002 0.000 0.764 40 N CB -0.909 37.579 38.487 0.002 0.000 1.122 40 N HN 0.770 nan 8.380 nan 0.000 0.561 41 R N -0.262 120.248 120.500 0.016 0.000 2.902 41 R HA 0.762 4.676 4.340 -0.710 0.000 0.258 41 R C 0.096 176.410 176.300 0.023 0.000 1.071 41 R CA -0.397 55.717 56.100 0.023 0.000 1.024 41 R CB 0.974 31.298 30.300 0.040 0.000 1.184 41 R HN 0.119 nan 8.270 nan 0.000 0.492 42 A N 1.691 124.532 122.820 0.035 0.000 2.511 42 A HA 0.158 4.052 4.320 -0.710 0.000 0.242 42 A C 0.196 177.809 177.584 0.047 0.000 1.069 42 A CA -0.168 51.896 52.037 0.046 0.000 0.763 42 A CB -0.070 18.968 19.000 0.062 0.000 1.001 42 A HN 0.550 nan 8.150 nan 0.000 0.498 43 L N 1.668 122.921 121.223 0.050 0.000 2.485 43 L HA 0.253 4.167 4.340 -0.710 0.000 0.275 43 L C 1.181 178.076 176.870 0.042 0.000 1.207 43 L CA -0.045 54.820 54.840 0.042 0.000 0.855 43 L CB 0.401 42.499 42.059 0.064 0.000 1.114 43 L HN 0.844 nan 8.230 nan 0.000 0.485 44 A N 5.102 127.932 122.820 0.017 0.000 2.445 44 A HA 0.333 4.227 4.320 -0.710 0.000 0.242 44 A C -0.017 177.572 177.584 0.008 0.000 1.075 44 A CA -0.231 51.835 52.037 0.049 0.000 0.777 44 A CB 0.168 19.224 19.000 0.093 0.000 1.013 44 A HN 0.650 nan 8.150 nan 0.000 0.493 45 R N 1.395 121.964 120.500 0.115 0.000 2.387 45 R HA 0.194 4.108 4.340 -0.710 0.000 0.314 45 R C -0.421 176.078 176.300 0.332 0.000 0.958 45 R CA -0.416 55.771 56.100 0.146 0.000 0.846 45 R CB 1.029 31.422 30.300 0.155 0.000 1.147 45 R HN 0.952 nan 8.270 nan 0.000 0.447 46 W N 1.988 123.366 121.300 0.129 0.000 2.812 46 W HA 0.257 4.494 4.660 -0.704 0.000 0.263 46 W C 0.391 176.920 176.519 0.016 0.000 1.284 46 W CA 0.112 57.512 57.345 0.091 0.000 1.430 46 W CB 0.126 29.565 29.460 -0.034 0.000 1.088 46 W HN 0.251 nan 8.180 nan 0.000 0.623 47 L N 0.374 121.712 121.223 0.192 0.000 2.371 47 L HA 0.403 4.317 4.340 -0.710 0.000 0.262 47 L C -2.177 174.707 176.870 0.024 0.000 1.006 47 L CA -2.076 52.745 54.840 -0.032 0.000 0.818 47 L CB 1.937 43.710 42.059 -0.477 0.000 1.354 47 L HN -0.514 nan 8.230 nan 0.000 0.415 48 P HA 0.107 nan 4.420 nan 0.000 0.268 48 P C -0.583 176.725 177.300 0.013 0.000 1.205 48 P CA -0.222 62.900 63.100 0.037 0.000 0.771 48 P CB 0.623 32.342 31.700 0.032 0.000 0.858 49 A N 3.051 125.898 122.820 0.045 0.000 2.466 49 A HA 0.095 3.988 4.320 -0.710 0.000 0.238 49 A C 0.152 177.696 177.584 -0.068 0.000 1.074 49 A CA 0.091 52.117 52.037 -0.019 0.000 0.774 49 A CB -0.104 18.927 19.000 0.052 0.000 1.015 49 A HN 0.571 nan 8.150 nan 0.000 0.498 50 E N 0.717 120.795 120.200 -0.203 0.000 2.186 50 E HA 0.433 4.357 4.350 -0.710 0.000 0.255 50 E C -1.790 174.694 176.600 -0.193 0.000 0.881 50 E CA -0.027 56.339 56.400 -0.056 0.000 0.752 50 E CB 1.245 30.988 29.700 0.071 0.000 1.176 50 E HN 0.613 nan 8.360 nan 0.000 0.421 51 Y N 0.516 120.808 120.300 -0.014 0.000 2.549 51 Y HA 0.125 4.249 4.550 -0.711 0.000 0.339 51 Y C 1.614 177.106 175.900 -0.680 0.000 1.053 51 Y CA -0.791 57.120 58.100 -0.314 0.000 1.105 51 Y CB 1.404 39.688 38.460 -0.293 0.000 1.258 51 Y HN 0.489 nan 8.280 nan 0.000 0.478 52 E N 0.688 120.326 120.200 -0.936 0.000 2.070 52 E HA -0.247 3.677 4.350 -0.710 0.000 0.197 52 E C 0.642 177.012 176.600 -0.382 0.000 1.004 52 E CA 1.963 57.783 56.400 -0.966 0.000 0.805 52 E CB 0.079 29.385 29.700 -0.657 0.000 0.744 52 E HN 0.823 nan 8.360 nan 0.000 0.451 53 D N -1.898 118.322 120.400 -0.300 0.000 2.368 53 D HA 0.085 4.299 4.640 -0.710 0.000 0.218 53 D C 1.035 177.239 176.300 -0.159 0.000 1.112 53 D CA 0.605 54.480 54.000 -0.209 0.000 0.834 53 D CB 0.420 41.069 40.800 -0.251 0.000 0.953 53 D HN 0.319 nan 8.370 nan 0.000 0.505 54 G N 0.154 108.895 108.800 -0.099 0.000 2.168 54 G HA2 -0.323 3.211 3.960 -0.710 0.000 0.263 54 G HA3 -0.323 3.211 3.960 -0.710 0.000 0.263 54 G C 0.531 175.416 174.900 -0.024 0.000 0.977 54 G CA 0.889 45.987 45.100 -0.004 0.000 0.659 54 G HN 0.423 nan 8.290 nan 0.000 0.533 55 L N -2.081 119.011 121.223 -0.217 0.000 2.691 55 L HA 0.760 4.674 4.340 -0.710 0.000 0.185 55 L C 2.287 178.553 176.870 -1.007 0.000 1.081 55 L CA 1.992 56.578 54.840 -0.424 0.000 0.865 55 L CB -0.021 41.793 42.059 -0.408 0.000 1.370 55 L HN 0.553 nan 8.230 nan 0.000 0.488 56 A N -1.913 120.190 122.820 -1.196 0.000 2.377 56 A HA 0.381 4.275 4.320 -0.710 0.000 0.174 56 A C -0.104 176.812 177.584 -1.114 0.000 1.663 56 A CA 0.002 51.168 52.037 -1.453 0.000 1.219 56 A CB 0.394 18.683 19.000 -1.186 0.000 1.499 56 A HN -0.081 nan 8.150 nan 0.000 0.481 57 V N 3.365 122.777 119.914 -0.837 0.000 2.455 57 V HA 0.302 3.996 4.120 -0.710 0.000 0.273 57 V C -2.428 173.429 176.094 -0.395 0.000 1.045 57 V CA -1.424 60.422 62.300 -0.757 0.000 0.976 57 V CB 0.752 32.121 31.823 -0.757 0.000 0.993 57 V HN 0.258 nan 8.190 nan 0.000 0.475 58 P HA 0.262 nan 4.420 nan 0.000 0.276 58 P C -0.580 176.681 177.300 -0.065 0.000 1.244 58 P CA -0.539 62.516 63.100 -0.074 0.000 0.801 58 P CB 0.461 32.096 31.700 -0.107 0.000 1.006 59 F N 0.761 120.784 119.950 0.122 0.000 2.506 59 F HA 0.379 4.478 4.527 -0.712 0.000 0.371 59 F C 1.814 177.751 175.800 0.229 0.000 1.078 59 F CA 1.745 59.833 58.000 0.146 0.000 1.195 59 F CB -0.018 39.051 39.000 0.115 0.000 1.099 59 F HN 0.652 nan 8.300 nan 0.000 0.548 60 G N 3.124 112.171 108.800 0.411 0.000 2.231 60 G HA2 -0.269 3.265 3.960 -0.710 0.000 0.206 60 G HA3 -0.269 3.265 3.960 -0.710 0.000 0.206 60 G C 1.047 176.167 174.900 0.367 0.000 0.996 60 G CA 0.028 45.347 45.100 0.365 0.000 0.645 60 G HN 0.724 nan 8.290 nan 0.000 0.498 61 W N 1.927 123.286 121.300 0.098 0.000 2.354 61 W HA 0.066 4.299 4.660 -0.713 0.000 0.315 61 W C 0.238 176.776 176.519 0.032 0.000 1.206 61 W CA 2.065 59.406 57.345 -0.006 0.000 1.290 61 W CB -0.242 29.085 29.460 -0.222 0.000 1.152 61 W HN 0.199 nan 8.180 nan 0.000 0.489 62 T N 1.158 115.873 114.554 0.269 0.000 2.829 62 T HA 0.080 4.004 4.350 -0.710 0.000 0.282 62 T C 1.137 175.903 174.700 0.109 0.000 0.990 62 T CA -0.404 61.792 62.100 0.160 0.000 1.028 62 T CB 1.973 70.948 68.868 0.178 0.000 0.951 62 T HN 0.205 nan 8.240 nan 0.000 0.460 63 Q N 3.691 123.528 119.800 0.061 0.000 2.046 63 Q HA -0.177 3.737 4.340 -0.710 0.000 0.200 63 Q C 2.112 178.149 176.000 0.061 0.000 0.975 63 Q CA 1.071 56.904 55.803 0.051 0.000 0.836 63 Q CB -0.252 28.500 28.738 0.023 0.000 0.896 63 Q HN 0.690 nan 8.270 nan 0.000 0.428 64 R N 0.882 121.416 120.500 0.057 0.000 2.148 64 R HA 0.090 4.004 4.340 -0.710 0.000 0.223 64 R C 0.261 176.600 176.300 0.064 0.000 1.088 64 R CA 0.271 56.401 56.100 0.051 0.000 0.985 64 R CB -0.087 30.236 30.300 0.038 0.000 0.880 64 R HN -0.021 nan 8.270 nan 0.000 0.451 65 K N 2.281 122.733 120.400 0.087 0.000 2.258 65 K HA 0.075 3.969 4.320 -0.710 0.000 0.264 65 K C 0.203 176.889 176.600 0.143 0.000 1.007 65 K CA 0.405 56.758 56.287 0.110 0.000 0.941 65 K CB 1.314 33.887 32.500 0.122 0.000 0.966 65 K HN 0.308 nan 8.250 nan 0.000 0.480 66 T N -1.331 113.315 114.554 0.152 0.000 2.926 66 T HA 0.489 4.413 4.350 -0.710 0.000 0.289 66 T C -0.308 174.525 174.700 0.221 0.000 1.054 66 T CA -1.051 61.138 62.100 0.149 0.000 1.015 66 T CB 2.007 70.903 68.868 0.048 0.000 1.167 66 T HN 0.517 nan 8.240 nan 0.000 0.526 67 R N 1.072 121.631 120.500 0.099 0.000 2.337 67 R HA 0.330 4.244 4.340 -0.710 0.000 0.319 67 R C -0.423 175.859 176.300 -0.030 0.000 0.954 67 R CA -0.378 55.642 56.100 -0.133 0.000 0.840 67 R CB -0.023 29.939 30.300 -0.563 0.000 1.164 67 R HN 0.805 nan 8.270 nan 0.000 0.472 68 N N 3.135 121.819 118.700 -0.027 0.000 2.725 68 N HA -0.201 4.113 4.740 -0.710 0.000 0.249 68 N C 0.522 175.926 175.510 -0.177 0.000 1.103 68 N CA 1.581 54.621 53.050 -0.016 0.000 0.707 68 N CB -1.082 37.448 38.487 0.072 0.000 1.043 68 N HN 1.083 nan 8.380 nan 0.000 0.553 69 G N -2.143 106.520 108.800 -0.229 0.000 2.176 69 G HA2 -0.311 3.223 3.960 -0.710 0.000 0.253 69 G HA3 -0.311 3.223 3.960 -0.710 0.000 0.253 69 G C -0.067 174.468 174.900 -0.608 0.000 0.979 69 G CA 0.438 45.261 45.100 -0.461 0.000 0.641 69 G HN 0.410 nan 8.290 nan 0.000 0.530 70 F N 0.187 120.149 119.950 0.020 0.000 2.546 70 F HA 0.714 4.815 4.527 -0.710 0.000 0.320 70 F C 0.876 176.693 175.800 0.028 0.000 1.076 70 F CA -1.257 56.756 58.000 0.021 0.000 0.928 70 F CB 1.301 40.313 39.000 0.020 0.000 1.189 70 F HN -0.110 nan 8.300 nan 0.000 0.465 71 R N 1.118 121.752 120.500 0.224 0.000 2.491 71 R HA 0.386 4.300 4.340 -0.710 0.000 0.283 71 R C -0.835 175.535 176.300 0.117 0.000 1.072 71 R CA -0.539 55.647 56.100 0.144 0.000 1.048 71 R CB 0.736 31.095 30.300 0.099 0.000 0.983 71 R HN 0.531 nan 8.270 nan 0.000 0.450 72 V N 2.062 122.043 119.914 0.111 0.000 2.488 72 V HA 0.303 3.997 4.120 -0.710 0.000 0.277 72 V C -1.712 174.377 176.094 -0.009 0.000 1.046 72 V CA -1.971 60.370 62.300 0.068 0.000 0.986 72 V CB 0.423 32.331 31.823 0.141 0.000 0.989 72 V HN 0.687 nan 8.190 nan 0.000 0.475 73 P HA 0.267 nan 4.420 nan 0.000 0.271 73 P C -0.132 177.100 177.300 -0.114 0.000 1.218 73 P CA -0.471 62.523 63.100 -0.177 0.000 0.780 73 P CB 0.759 32.234 31.700 -0.374 0.000 0.901 74 L N 1.568 122.743 121.223 -0.081 0.000 2.540 74 L HA -0.015 3.899 4.340 -0.710 0.000 0.276 74 L C 2.002 178.829 176.870 -0.072 0.000 1.212 74 L CA -0.222 54.575 54.840 -0.072 0.000 0.893 74 L CB -0.081 41.942 42.059 -0.061 0.000 1.138 74 L HN 0.483 nan 8.230 nan 0.000 0.491 75 A N 3.587 126.356 122.820 -0.084 0.000 1.908 75 A HA -0.231 3.663 4.320 -0.710 0.000 0.218 75 A C 2.306 179.877 177.584 -0.021 0.000 1.181 75 A CA 1.863 53.866 52.037 -0.057 0.000 0.627 75 A CB -0.393 18.526 19.000 -0.134 0.000 0.818 75 A HN 0.863 nan 8.150 nan 0.000 0.445 76 R N 0.168 120.649 120.500 -0.032 0.000 2.148 76 R HA -0.095 3.819 4.340 -0.710 0.000 0.227 76 R C 1.945 178.266 176.300 0.036 0.000 1.103 76 R CA 1.954 58.071 56.100 0.029 0.000 0.983 76 R CB -0.471 29.884 30.300 0.092 0.000 0.874 76 R HN 0.711 nan 8.270 nan 0.000 0.451 77 E N -0.755 119.450 120.200 0.009 0.000 2.076 77 E HA -0.093 3.831 4.350 -0.710 0.000 0.190 77 E C 1.661 178.264 176.600 0.005 0.000 0.979 77 E CA 1.128 57.528 56.400 0.000 0.000 0.807 77 E CB 0.168 29.853 29.700 -0.025 0.000 0.761 77 E HN 0.193 nan 8.360 nan 0.000 0.454 78 V N 0.684 120.599 119.914 0.001 0.000 2.332 78 V HA -0.271 3.423 4.120 -0.710 0.000 0.248 78 V C 2.436 178.595 176.094 0.108 0.000 1.055 78 V CA 1.916 64.245 62.300 0.050 0.000 1.038 78 V CB -0.690 31.192 31.823 0.097 0.000 0.651 78 V HN 0.278 nan 8.190 nan 0.000 0.450 79 S N 0.407 116.174 115.700 0.111 0.000 2.348 79 S HA -0.221 3.823 4.470 -0.710 0.000 0.221 79 S C 1.947 176.606 174.600 0.100 0.000 1.033 79 S CA 1.921 60.200 58.200 0.133 0.000 1.010 79 S CB -0.455 62.810 63.200 0.108 0.000 0.891 79 S HN 0.661 nan 8.310 nan 0.000 0.442 80 N N 1.169 119.906 118.700 0.063 0.000 2.166 80 N HA -0.026 4.288 4.740 -0.710 0.000 0.186 80 N C 1.637 177.175 175.510 0.046 0.000 1.019 80 N CA 1.064 54.139 53.050 0.042 0.000 0.856 80 N CB -0.217 38.280 38.487 0.017 0.000 0.993 80 N HN 0.528 nan 8.380 nan 0.000 0.426 81 K N -0.451 119.978 120.400 0.048 0.000 2.211 81 K HA 0.173 4.067 4.320 -0.710 0.000 0.201 81 K C 1.185 177.821 176.600 0.059 0.000 1.052 81 K CA 0.488 56.800 56.287 0.043 0.000 0.973 81 K CB 0.656 33.172 32.500 0.026 0.000 0.766 81 K HN 0.107 nan 8.250 nan 0.000 0.466 82 I N -0.401 120.217 120.570 0.080 0.000 3.443 82 I HA -0.050 3.694 4.170 -0.710 0.000 0.277 82 I C 1.989 178.171 176.117 0.108 0.000 1.169 82 I CA 0.637 61.988 61.300 0.084 0.000 1.419 82 I CB -0.359 37.696 38.000 0.091 0.000 1.331 82 I HN -0.211 nan 8.210 nan 0.000 0.458 83 V N 1.278 121.279 119.914 0.145 0.000 2.878 83 V HA 0.177 3.871 4.120 -0.710 0.000 0.250 83 V C 1.402 177.631 176.094 0.226 0.000 1.075 83 V CA 0.849 63.265 62.300 0.192 0.000 1.096 83 V CB -0.632 31.351 31.823 0.268 0.000 0.724 83 V HN 0.372 nan 8.190 nan 0.000 0.467 84 G N -0.573 108.336 108.800 0.182 0.000 2.504 84 G HA2 0.542 4.075 3.960 -0.710 0.000 0.288 84 G HA3 0.542 4.075 3.960 -0.710 0.000 0.288 84 G C -0.983 174.071 174.900 0.256 0.000 1.182 84 G CA -0.132 45.066 45.100 0.163 0.000 0.894 84 G HN 0.466 nan 8.290 nan 0.000 0.521 85 Y N -2.008 118.326 120.300 0.055 0.000 2.725 85 Y HA 0.592 4.713 4.550 -0.714 0.000 0.333 85 Y C -0.285 175.640 175.900 0.042 0.000 1.242 85 Y CA -1.217 56.910 58.100 0.045 0.000 1.059 85 Y CB 1.049 39.538 38.460 0.048 0.000 1.306 85 Y HN 0.278 nan 8.280 nan 0.000 0.454 86 L N -0.202 121.086 121.223 0.108 0.000 2.547 86 L HA 0.247 4.161 4.340 -0.710 0.000 0.218 86 L C -0.165 176.770 176.870 0.108 0.000 1.048 86 L CA 0.224 55.068 54.840 0.006 0.000 0.859 86 L CB 0.396 42.474 42.059 0.030 0.000 1.128 86 L HN 0.626 nan 8.230 nan 0.000 0.483 87 D N 1.114 121.683 120.400 0.281 0.000 2.393 87 D HA 0.026 4.240 4.640 -0.710 0.000 0.232 87 D C 0.851 177.356 176.300 0.342 0.000 1.192 87 D CA 0.140 54.281 54.000 0.236 0.000 0.882 87 D CB 0.840 41.734 40.800 0.156 0.000 1.038 87 D HN 0.031 nan 8.370 nan 0.000 0.499 88 E N 1.868 122.233 120.200 0.274 0.000 2.511 88 E HA -0.089 3.835 4.350 -0.710 0.000 0.196 88 E C 0.131 176.832 176.600 0.167 0.000 1.066 88 E CA 0.220 56.794 56.400 0.289 0.000 0.871 88 E CB 0.168 29.986 29.700 0.198 0.000 0.863 88 E HN 0.466 nan 8.360 nan 0.000 0.520 89 E N 0.450 120.724 120.200 0.124 0.000 2.324 89 E HA 0.247 4.171 4.350 -0.710 0.000 0.271 89 E C 0.551 177.185 176.600 0.057 0.000 1.028 89 E CA 0.500 56.948 56.400 0.080 0.000 0.890 89 E CB 0.329 30.068 29.700 0.065 0.000 1.004 89 E HN 0.245 nan 8.360 nan 0.000 0.431 90 G N 3.071 111.901 108.800 0.049 0.000 2.225 90 G HA2 -0.230 3.304 3.960 -0.710 0.000 0.264 90 G HA3 -0.230 3.304 3.960 -0.710 0.000 0.264 90 G C 0.541 175.450 174.900 0.016 0.000 1.060 90 G CA 0.427 45.546 45.100 0.031 0.000 0.833 90 G HN 0.945 nan 8.290 nan 0.000 0.498 91 V N -2.982 116.951 119.914 0.031 0.000 3.605 91 V HA 0.562 4.256 4.120 -0.710 0.000 0.284 91 V C 1.377 177.500 176.094 0.050 0.000 1.386 91 V CA 0.053 62.361 62.300 0.013 0.000 1.053 91 V CB -0.054 31.769 31.823 -0.000 0.000 0.857 91 V HN 0.364 nan 8.190 nan 0.000 0.436 92 L N 1.367 122.629 121.223 0.064 0.000 2.464 92 L HA 0.363 4.276 4.340 -0.710 0.000 0.264 92 L C 0.325 177.236 176.870 0.067 0.000 1.199 92 L CA 0.135 55.022 54.840 0.079 0.000 0.818 92 L CB 0.228 42.335 42.059 0.081 0.000 1.102 92 L HN 0.134 nan 8.230 nan 0.000 0.473 93 D N 1.250 121.698 120.400 0.080 0.000 2.316 93 D HA 0.024 4.237 4.640 -0.710 0.000 0.245 93 D C 0.592 176.917 176.300 0.042 0.000 1.171 93 D CA -0.196 53.839 54.000 0.058 0.000 0.856 93 D CB 1.398 42.241 40.800 0.072 0.000 1.090 93 D HN 0.407 nan 8.370 nan 0.000 0.476 94 Q N 2.213 122.028 119.800 0.024 0.000 2.436 94 Q HA -0.079 3.835 4.340 -0.710 0.000 0.209 94 Q C 0.602 176.609 176.000 0.011 0.000 0.965 94 Q CA 0.710 56.527 55.803 0.023 0.000 0.910 94 Q CB 0.190 28.938 28.738 0.017 0.000 0.980 94 Q HN 0.374 nan 8.270 nan 0.000 0.491 95 N N 0.081 118.773 118.700 -0.013 0.000 2.240 95 N HA 0.050 4.364 4.740 -0.710 0.000 0.240 95 N C -1.081 174.386 175.510 -0.072 0.000 1.277 95 N CA -0.001 53.027 53.050 -0.036 0.000 0.873 95 N CB 0.646 39.101 38.487 -0.054 0.000 1.222 95 N HN -0.135 nan 8.380 nan 0.000 0.507 96 R N 0.568 121.038 120.500 -0.050 0.000 2.532 96 R HA 0.355 4.268 4.340 -0.710 0.000 0.297 96 R C -0.155 176.197 176.300 0.086 0.000 0.984 96 R CA -0.465 55.600 56.100 -0.058 0.000 0.884 96 R CB 1.299 31.479 30.300 -0.200 0.000 1.182 96 R HN 0.217 nan 8.270 nan 0.000 0.442 97 S N 1.410 117.188 115.700 0.130 0.000 2.624 97 S HA 0.098 4.142 4.470 -0.710 0.000 0.263 97 S C 1.224 175.947 174.600 0.206 0.000 1.287 97 S CA -0.656 57.629 58.200 0.142 0.000 0.990 97 S CB 0.781 64.032 63.200 0.086 0.000 0.950 97 S HN 0.534 nan 8.310 nan 0.000 0.561 98 L N 0.671 121.989 121.223 0.157 0.000 2.265 98 L HA 0.078 3.991 4.340 -0.710 0.000 0.215 98 L C 2.005 178.959 176.870 0.139 0.000 1.117 98 L CA 1.309 56.242 54.840 0.154 0.000 0.782 98 L CB -1.253 40.875 42.059 0.115 0.000 0.914 98 L HN 0.836 nan 8.230 nan 0.000 0.441 99 L N -1.381 119.888 121.223 0.076 0.000 2.083 99 L HA -0.212 3.702 4.340 -0.710 0.000 0.209 99 L C 2.298 179.299 176.870 0.219 0.000 1.083 99 L CA 1.661 56.479 54.840 -0.036 0.000 0.752 99 L CB -0.909 40.911 42.059 -0.398 0.000 0.899 99 L HN 0.350 nan 8.230 nan 0.000 0.433 100 F N -0.508 119.617 119.950 0.292 0.000 2.120 100 F HA -0.313 3.815 4.527 -0.665 0.000 0.300 100 F C 2.446 178.513 175.800 0.444 0.000 1.095 100 F CA 2.293 60.621 58.000 0.546 0.000 1.249 100 F CB -0.364 38.884 39.000 0.413 0.000 0.995 100 F HN 0.207 nan 8.300 nan 0.000 0.480 101 M N 0.019 119.747 119.600 0.213 0.000 2.099 101 M HA -0.212 3.841 4.480 -0.710 0.000 0.262 101 M C 2.208 178.485 176.300 -0.038 0.000 1.067 101 M CA 1.843 57.165 55.300 0.036 0.000 1.124 101 M CB -0.831 31.834 32.600 0.109 0.000 1.353 101 M HN 0.298 nan 8.290 nan 0.000 0.410 102 Q N -0.229 119.586 119.800 0.024 0.000 2.124 102 Q HA -0.203 3.711 4.340 -0.710 0.000 0.202 102 Q C 1.791 177.755 176.000 -0.061 0.000 0.977 102 Q CA 1.920 57.707 55.803 -0.027 0.000 0.850 102 Q CB -0.775 27.968 28.738 0.009 0.000 0.901 102 Q HN 0.704 nan 8.270 nan 0.000 0.429 103 W N -0.202 120.973 121.300 -0.209 0.000 2.467 103 W HA -0.011 4.271 4.660 -0.631 0.000 0.275 103 W C 1.517 177.727 176.519 -0.516 0.000 1.239 103 W CA 1.157 58.329 57.345 -0.288 0.000 1.266 103 W CB -0.174 29.218 29.460 -0.113 0.000 1.112 103 W HN 0.317 nan 8.180 nan 0.000 0.576 104 G N 0.279 108.776 108.800 -0.505 0.000 2.422 104 G HA2 -0.341 3.193 3.960 -0.710 0.000 0.218 104 G HA3 -0.341 3.193 3.960 -0.710 0.000 0.218 104 G C 1.394 175.876 174.900 -0.698 0.000 1.146 104 G CA 0.905 45.672 45.100 -0.555 0.000 0.769 104 G HN 0.357 nan 8.290 nan 0.000 0.547 105 Q N -0.543 118.902 119.800 -0.591 0.000 2.245 105 Q HA 0.011 3.925 4.340 -0.710 0.000 0.201 105 Q C 2.475 178.021 176.000 -0.756 0.000 0.955 105 Q CA 0.336 55.727 55.803 -0.686 0.000 0.870 105 Q CB -0.040 28.360 28.738 -0.563 0.000 0.945 105 Q HN 0.375 nan 8.270 nan 0.000 0.461 106 I N 0.044 120.220 120.570 -0.656 0.000 2.202 106 I HA -0.216 3.527 4.170 -0.710 0.000 0.242 106 I C 2.295 178.089 176.117 -0.539 0.000 1.091 106 I CA 0.935 61.847 61.300 -0.647 0.000 1.368 106 I CB -1.097 36.364 38.000 -0.898 0.000 1.058 106 I HN 0.093 nan 8.210 nan 0.000 0.410 107 V N 1.126 120.682 119.914 -0.597 0.000 2.343 107 V HA -0.283 3.411 4.120 -0.710 0.000 0.247 107 V C 2.454 178.557 176.094 0.016 0.000 1.051 107 V CA 2.085 64.270 62.300 -0.191 0.000 1.036 107 V CB -0.668 31.178 31.823 0.039 0.000 0.654 107 V HN 0.458 nan 8.190 nan 0.000 0.451 108 D N -0.345 119.873 120.400 -0.302 0.000 2.092 108 D HA -0.255 3.959 4.640 -0.710 0.000 0.193 108 D C 1.967 178.269 176.300 0.002 0.000 0.994 108 D CA 1.910 55.716 54.000 -0.323 0.000 0.828 108 D CB -0.251 40.056 40.800 -0.823 0.000 0.963 108 D HN 0.655 nan 8.370 nan 0.000 0.450 109 H N -0.616 118.323 119.070 -0.217 0.000 2.489 109 H HA -0.102 4.057 4.556 -0.662 0.000 0.293 109 H C 1.477 176.771 175.328 -0.057 0.000 1.066 109 H CA 0.792 56.750 56.048 -0.150 0.000 1.305 109 H CB 0.343 30.008 29.762 -0.161 0.000 1.386 109 H HN 0.204 nan 8.280 nan 0.000 0.551 110 D N 0.324 120.782 120.400 0.098 0.000 2.289 110 D HA -0.040 4.174 4.640 -0.710 0.000 0.207 110 D C 1.968 178.372 176.300 0.173 0.000 0.966 110 D CA 0.361 54.434 54.000 0.121 0.000 0.868 110 D CB 0.389 41.255 40.800 0.110 0.000 0.943 110 D HN 0.354 nan 8.370 nan 0.000 0.514 111 L N -0.007 121.339 121.223 0.206 0.000 2.286 111 L HA 0.160 4.074 4.340 -0.710 0.000 0.203 111 L C 0.295 177.278 176.870 0.187 0.000 1.068 111 L CA 0.395 55.374 54.840 0.232 0.000 0.811 111 L CB 0.160 42.442 42.059 0.370 0.000 0.989 111 L HN -0.051 nan 8.230 nan 0.000 0.467 112 D N -1.283 119.225 120.400 0.180 0.000 2.732 112 D HA 0.377 4.590 4.640 -0.710 0.000 0.229 112 D C -1.417 174.991 176.300 0.180 0.000 1.152 112 D CA -0.353 53.739 54.000 0.154 0.000 0.854 112 D CB 3.158 44.043 40.800 0.142 0.000 1.590 112 D HN -0.224 nan 8.370 nan 0.000 0.468 113 F N 0.937 120.870 119.950 -0.028 0.000 2.991 113 F HA 0.510 4.621 4.527 -0.693 0.000 0.355 113 F C -1.720 174.065 175.800 -0.026 0.000 1.262 113 F CA -1.161 56.803 58.000 -0.061 0.000 1.127 113 F CB 1.428 40.382 39.000 -0.076 0.000 1.447 113 F HN 0.590 nan 8.300 nan 0.000 0.584 114 A N 7.545 130.333 122.820 -0.053 0.000 2.294 114 A HA 0.762 4.656 4.320 -0.710 0.000 0.316 114 A C -2.724 174.585 177.584 -0.459 0.000 1.359 114 A CA -1.415 50.503 52.037 -0.200 0.000 0.956 114 A CB -0.164 18.900 19.000 0.106 0.000 1.155 114 A HN 0.405 nan 8.150 nan 0.000 0.544 115 P HA 0.306 nan 4.420 nan 0.000 0.278 115 P C -0.250 176.895 177.300 -0.258 0.000 1.238 115 P CA -0.348 62.355 63.100 -0.662 0.000 0.794 115 P CB 0.728 32.019 31.700 -0.682 0.000 0.955 116 E N 0.013 120.119 120.200 -0.157 0.000 2.373 116 E HA 0.205 4.129 4.350 -0.710 0.000 0.263 116 E C -0.248 176.292 176.600 -0.099 0.000 1.073 116 E CA -0.069 56.277 56.400 -0.090 0.000 0.894 116 E CB 0.272 29.919 29.700 -0.088 0.000 1.008 116 E HN 0.332 nan 8.360 nan 0.000 0.420 117 T N 2.194 116.729 114.554 -0.032 0.000 2.832 117 T HA 0.129 4.052 4.350 -0.710 0.000 0.313 117 T C 0.386 175.038 174.700 -0.080 0.000 1.035 117 T CA -0.256 61.817 62.100 -0.044 0.000 0.950 117 T CB 0.422 69.316 68.868 0.043 0.000 0.984 117 T HN 0.493 nan 8.240 nan 0.000 0.486 118 E N 2.407 122.466 120.200 -0.234 0.000 2.660 118 E HA 0.205 4.129 4.350 -0.710 0.000 0.216 118 E C -0.566 175.855 176.600 -0.299 0.000 0.986 118 E CA -0.210 55.910 56.400 -0.465 0.000 1.037 118 E CB 0.340 29.615 29.700 -0.710 0.000 1.041 118 E HN 0.293 nan 8.360 nan 0.000 0.480 119 L N 0.898 122.012 121.223 -0.181 0.000 2.257 119 L HA 0.564 4.478 4.340 -0.710 0.000 0.290 119 L C 0.197 176.998 176.870 -0.115 0.000 1.044 119 L CA -0.125 54.624 54.840 -0.150 0.000 0.810 119 L CB 1.562 43.540 42.059 -0.134 0.000 1.193 119 L HN 0.057 nan 8.230 nan 0.000 0.425 120 G N 1.096 109.821 108.800 -0.125 0.000 2.706 120 G HA2 0.450 3.983 3.960 -0.710 0.000 0.297 120 G HA3 0.450 3.983 3.960 -0.710 0.000 0.297 120 G C 0.318 175.151 174.900 -0.112 0.000 1.403 120 G CA -0.158 44.874 45.100 -0.112 0.000 0.954 120 G HN 0.487 nan 8.290 nan 0.000 0.500 121 S N 0.384 116.028 115.700 -0.092 0.000 2.389 121 S HA -0.102 3.942 4.470 -0.710 0.000 0.229 121 S C 1.218 175.768 174.600 -0.084 0.000 1.048 121 S CA 1.507 59.659 58.200 -0.079 0.000 1.117 121 S CB -0.213 62.950 63.200 -0.062 0.000 1.020 121 S HN 0.663 nan 8.310 nan 0.000 0.430 122 S N 0.299 115.947 115.700 -0.087 0.000 2.542 122 S HA 0.663 4.707 4.470 -0.710 0.000 0.293 122 S C -0.757 173.764 174.600 -0.131 0.000 1.089 122 S CA -0.774 57.374 58.200 -0.087 0.000 0.961 122 S CB 2.692 65.859 63.200 -0.056 0.000 1.062 122 S HN 0.402 nan 8.310 nan 0.000 0.483 123 E N 0.317 120.436 120.200 -0.135 0.000 2.331 123 E HA 0.294 4.218 4.350 -0.710 0.000 0.275 123 E C 0.243 176.764 176.600 -0.132 0.000 0.895 123 E CA -0.628 55.638 56.400 -0.224 0.000 0.753 123 E CB 0.853 30.438 29.700 -0.191 0.000 1.216 123 E HN 0.899 nan 8.360 nan 0.000 0.434 124 H N 1.288 120.381 119.070 0.038 0.000 2.470 124 H HA 0.071 4.202 4.556 -0.710 0.000 0.289 124 H C 1.233 176.615 175.328 0.091 0.000 1.033 124 H CA 0.633 56.718 56.048 0.061 0.000 1.331 124 H CB 0.282 30.077 29.762 0.055 0.000 1.414 124 H HN 0.187 nan 8.280 nan 0.000 0.545 125 S N 0.992 116.776 115.700 0.140 0.000 2.383 125 S HA -0.069 3.974 4.470 -0.710 0.000 0.227 125 S C 2.025 176.766 174.600 0.236 0.000 1.026 125 S CA 0.709 59.030 58.200 0.201 0.000 0.981 125 S CB 0.018 63.322 63.200 0.174 0.000 0.818 125 S HN 0.418 nan 8.310 nan 0.000 0.472 126 K N 0.666 121.161 120.400 0.159 0.000 2.063 126 K HA -0.092 3.802 4.320 -0.710 0.000 0.208 126 K C 1.967 178.705 176.600 0.229 0.000 1.048 126 K CA 1.403 57.809 56.287 0.198 0.000 0.928 126 K CB -0.357 32.146 32.500 0.005 0.000 0.713 126 K HN 0.220 nan 8.250 nan 0.000 0.442 127 V N 0.967 120.977 119.914 0.160 0.000 2.379 127 V HA -0.215 3.479 4.120 -0.710 0.000 0.245 127 V C 2.333 178.524 176.094 0.162 0.000 1.044 127 V CA 1.635 64.015 62.300 0.134 0.000 1.036 127 V CB -0.460 31.444 31.823 0.134 0.000 0.664 127 V HN 0.264 nan 8.190 nan 0.000 0.453 128 Q N -0.577 119.360 119.800 0.228 0.000 2.170 128 Q HA -0.196 3.718 4.340 -0.710 0.000 0.203 128 Q C 2.166 178.280 176.000 0.189 0.000 0.976 128 Q CA 2.245 58.208 55.803 0.266 0.000 0.858 128 Q CB -0.918 27.956 28.738 0.226 0.000 0.907 128 Q HN 0.655 nan 8.270 nan 0.000 0.433 129 c N -0.444 118.250 118.600 0.157 0.000 2.500 129 c HA 0.012 4.156 4.570 -0.710 0.000 0.279 129 c C 2.517 176.613 174.090 0.010 0.000 1.288 129 c CA 0.990 57.347 56.329 0.048 0.000 1.710 129 c CB -0.610 41.875 42.510 -0.042 0.000 2.052 129 c HN 0.717 nan 8.230 nan 0.000 0.488 130 E N -0.087 120.154 120.200 0.068 0.000 2.051 130 E HA -0.137 3.787 4.350 -0.710 0.000 0.189 130 E C 2.075 178.619 176.600 -0.092 0.000 0.979 130 E CA 0.928 57.335 56.400 0.012 0.000 0.803 130 E CB -0.039 29.731 29.700 0.116 0.000 0.761 130 E HN 0.564 nan 8.360 nan 0.000 0.451 131 E N -0.403 119.693 120.200 -0.175 0.000 2.076 131 E HA -0.125 3.799 4.350 -0.710 0.000 0.190 131 E C 1.429 177.721 176.600 -0.513 0.000 0.979 131 E CA 1.018 57.151 56.400 -0.444 0.000 0.807 131 E CB -0.009 29.234 29.700 -0.763 0.000 0.761 131 E HN 0.492 nan 8.360 nan 0.000 0.454 132 Y N -1.022 119.276 120.300 -0.002 0.000 2.481 132 Y HA 0.182 4.306 4.550 -0.710 0.000 0.247 132 Y C 0.692 176.567 175.900 -0.042 0.000 1.151 132 Y CA -0.488 57.602 58.100 -0.016 0.000 1.238 132 Y CB 0.206 38.664 38.460 -0.004 0.000 1.179 132 Y HN -0.080 nan 8.280 nan 0.000 0.524 133 c N 1.411 120.029 118.600 0.029 0.000 4.235 133 c HA -0.157 3.987 4.570 -0.710 0.000 0.301 133 c C 0.431 174.500 174.090 -0.035 0.000 1.409 133 c CA -0.676 55.624 56.329 -0.047 0.000 2.024 133 c CB -3.099 39.350 42.510 -0.101 0.000 1.286 133 c HN 0.172 nan 8.230 nan 0.000 0.746 134 V N 1.690 121.610 119.914 0.011 0.000 2.368 134 V HA 0.222 3.916 4.120 -0.710 0.000 0.266 134 V C 0.577 176.641 176.094 -0.049 0.000 1.045 134 V CA 0.400 62.696 62.300 -0.007 0.000 0.899 134 V CB 1.517 33.365 31.823 0.042 0.000 1.006 134 V HN 0.614 nan 8.190 nan 0.000 0.470 135 Q N 3.352 123.073 119.800 -0.132 0.000 2.297 135 Q HA 0.537 4.451 4.340 -0.710 0.000 0.267 135 Q C 0.098 176.002 176.000 -0.159 0.000 1.006 135 Q CA 0.212 55.866 55.803 -0.248 0.000 0.896 135 Q CB 1.030 29.470 28.738 -0.497 0.000 1.186 135 Q HN 0.957 nan 8.270 nan 0.000 0.392 136 G N 3.324 112.133 108.800 0.015 0.000 2.498 136 G HA2 0.247 3.781 3.960 -0.710 0.000 0.301 136 G HA3 0.247 3.781 3.960 -0.710 0.000 0.301 136 G C -1.224 173.886 174.900 0.351 0.000 1.577 136 G CA -0.313 44.934 45.100 0.244 0.000 0.868 136 G HN 0.729 nan 8.290 nan 0.000 0.599 137 D N 0.147 120.783 120.400 0.393 0.000 3.574 137 D HA -0.209 4.005 4.640 -0.710 0.000 0.153 137 D C 1.242 177.739 176.300 0.328 0.000 0.965 137 D CA 1.450 55.618 54.000 0.281 0.000 1.047 137 D CB -0.310 40.616 40.800 0.209 0.000 0.492 137 D HN 0.510 nan 8.370 nan 0.000 0.492 138 E N -0.186 120.188 120.200 0.290 0.000 2.482 138 E HA 0.015 3.938 4.350 -0.710 0.000 0.196 138 E C 0.824 177.639 176.600 0.359 0.000 1.047 138 E CA 0.136 56.731 56.400 0.324 0.000 0.869 138 E CB -0.362 29.531 29.700 0.322 0.000 0.836 138 E HN 0.407 nan 8.360 nan 0.000 0.520 139 c N 1.608 120.379 118.600 0.285 0.000 2.464 139 c HA 0.283 4.427 4.570 -0.710 0.000 0.370 139 c C -0.287 173.934 174.090 0.218 0.000 1.267 139 c CA -0.565 55.797 56.329 0.054 0.000 1.781 139 c CB -1.418 41.094 42.510 0.003 0.000 2.431 139 c HN 0.147 nan 8.230 nan 0.000 0.556 140 F N 10.019 129.989 119.950 0.034 0.000 2.660 140 F HA 0.486 4.586 4.527 -0.712 0.000 0.352 140 F C -2.341 173.484 175.800 0.041 0.000 1.257 140 F CA -3.236 54.833 58.000 0.114 0.000 1.200 140 F CB 0.833 40.105 39.000 0.453 0.000 1.473 140 F HN 0.503 nan 8.300 nan 0.000 0.561 141 P HA 0.228 nan 4.420 nan 0.000 0.274 141 P C -0.161 176.874 177.300 -0.442 0.000 1.231 141 P CA -0.018 62.926 63.100 -0.261 0.000 0.790 141 P CB 1.601 33.161 31.700 -0.233 0.000 0.951 142 I N 3.001 123.315 120.570 -0.427 0.000 2.282 142 I HA 0.174 3.918 4.170 -0.710 0.000 0.290 142 I C 0.944 176.765 176.117 -0.493 0.000 1.090 142 I CA -0.584 60.434 61.300 -0.469 0.000 1.231 142 I CB 0.079 37.845 38.000 -0.390 0.000 1.434 142 I HN 0.095 nan 8.210 nan 0.000 0.487 143 M N 5.391 124.750 119.600 -0.401 0.000 2.248 143 M HA 0.286 4.340 4.480 -0.710 0.000 0.337 143 M C -0.231 175.891 176.300 -0.297 0.000 1.121 143 M CA 0.242 55.319 55.300 -0.372 0.000 1.155 143 M CB -0.103 32.370 32.600 -0.210 0.000 1.514 143 M HN 0.275 nan 8.290 nan 0.000 0.452 144 F N 3.736 123.624 119.950 -0.103 0.000 2.410 144 F HA 0.331 4.431 4.527 -0.712 0.000 0.348 144 F C -1.331 174.427 175.800 -0.071 0.000 1.106 144 F CA -1.710 56.237 58.000 -0.088 0.000 1.163 144 F CB 0.749 39.697 39.000 -0.086 0.000 1.129 144 F HN 0.398 nan 8.300 nan 0.000 0.516 145 P HA 0.074 nan 4.420 nan 0.000 0.277 145 P C -0.996 176.331 177.300 0.044 0.000 1.271 145 P CA -0.745 62.388 63.100 0.055 0.000 0.795 145 P CB 0.796 32.513 31.700 0.029 0.000 1.101 146 K N 0.597 121.007 120.400 0.018 0.000 2.485 146 K HA -0.064 3.830 4.320 -0.710 0.000 0.277 146 K C 0.211 176.807 176.600 -0.007 0.000 0.990 146 K CA 0.480 56.770 56.287 0.006 0.000 0.994 146 K CB -0.666 31.835 32.500 0.001 0.000 0.906 146 K HN 0.441 nan 8.250 nan 0.000 0.488 147 N N 1.385 120.074 118.700 -0.017 0.000 2.782 147 N HA -0.205 4.109 4.740 -0.710 0.000 0.251 147 N C -1.345 174.131 175.510 -0.056 0.000 1.101 147 N CA 0.988 54.019 53.050 -0.032 0.000 0.764 147 N CB -0.550 37.923 38.487 -0.023 0.000 1.122 147 N HN 0.609 nan 8.380 nan 0.000 0.561 148 D N -0.308 120.046 120.400 -0.078 0.000 2.312 148 D HA 0.126 4.339 4.640 -0.710 0.000 0.252 148 D C -1.436 174.741 176.300 -0.204 0.000 1.150 148 D CA -1.842 52.067 54.000 -0.152 0.000 0.870 148 D CB 1.115 41.788 40.800 -0.211 0.000 1.153 148 D HN 0.016 nan 8.370 nan 0.000 0.457 149 P HA -0.097 nan 4.420 nan 0.000 0.223 149 P C 0.696 177.845 177.300 -0.253 0.000 1.144 149 P CA 1.049 64.042 63.100 -0.178 0.000 0.783 149 P CB 0.293 31.906 31.700 -0.145 0.000 0.771 150 K N -1.114 119.021 120.400 -0.440 0.000 2.426 150 K HA 0.128 4.022 4.320 -0.710 0.000 0.193 150 K C 1.716 177.990 176.600 -0.544 0.000 1.028 150 K CA 0.259 56.178 56.287 -0.614 0.000 1.047 150 K CB -0.228 31.624 32.500 -1.080 0.000 0.821 150 K HN 0.246 nan 8.250 nan 0.000 0.513 151 L N 0.906 121.911 121.223 -0.362 0.000 2.093 151 L HA -0.159 3.755 4.340 -0.710 0.000 0.208 151 L C 1.950 178.776 176.870 -0.073 0.000 1.085 151 L CA 1.408 56.180 54.840 -0.113 0.000 0.755 151 L CB -0.138 41.889 42.059 -0.052 0.000 0.904 151 L HN 0.090 nan 8.230 nan 0.000 0.435 152 K N -1.234 119.105 120.400 -0.101 0.000 2.296 152 K HA -0.011 3.883 4.320 -0.710 0.000 0.200 152 K C 1.574 178.139 176.600 -0.059 0.000 1.048 152 K CA 1.261 57.508 56.287 -0.066 0.000 0.966 152 K CB 0.167 32.628 32.500 -0.066 0.000 0.754 152 K HN 0.248 nan 8.250 nan 0.000 0.466 153 T N -0.524 113.980 114.554 -0.082 0.000 2.987 153 T HA 0.070 3.994 4.350 -0.710 0.000 0.248 153 T C 1.392 176.064 174.700 -0.046 0.000 0.997 153 T CA 0.100 62.163 62.100 -0.060 0.000 1.013 153 T CB 0.481 69.308 68.868 -0.069 0.000 1.077 153 T HN 0.050 nan 8.240 nan 0.000 0.483 154 Q N 0.053 119.820 119.800 -0.055 0.000 2.280 154 Q HA 0.465 4.378 4.340 -0.710 0.000 0.228 154 Q C 1.042 177.081 176.000 0.064 0.000 0.857 154 Q CA 0.238 56.037 55.803 -0.006 0.000 0.939 154 Q CB 1.397 30.124 28.738 -0.018 0.000 1.114 154 Q HN 0.533 nan 8.270 nan 0.000 0.514 155 G N 0.957 109.813 108.800 0.094 0.000 2.341 155 G HA2 -0.189 3.345 3.960 -0.710 0.000 0.196 155 G HA3 -0.189 3.345 3.960 -0.710 0.000 0.196 155 G C -0.430 174.583 174.900 0.190 0.000 1.231 155 G CA -0.328 44.826 45.100 0.089 0.000 1.155 155 G HN 0.035 nan 8.290 nan 0.000 0.529 156 K N -0.494 119.949 120.400 0.073 0.000 2.360 156 K HA 0.436 4.330 4.320 -0.710 0.000 0.196 156 K C 0.576 177.003 176.600 -0.288 0.000 1.049 156 K CA 0.871 57.177 56.287 0.032 0.000 1.049 156 K CB 0.466 32.955 32.500 -0.019 0.000 0.881 156 K HN 1.082 nan 8.250 nan 0.000 0.542 157 c N -2.133 116.139 118.600 -0.547 0.000 3.320 157 c HA 0.580 4.724 4.570 -0.710 0.000 0.335 157 c C -1.370 172.223 174.090 -0.828 0.000 1.430 157 c CA -1.344 54.415 56.329 -0.949 0.000 1.271 157 c CB 0.799 43.007 42.510 -0.503 0.000 1.609 157 c HN 0.010 nan 8.230 nan 0.000 0.457 158 M N 3.203 122.379 119.600 -0.706 0.000 2.149 158 M HA 0.441 4.495 4.480 -0.710 0.000 0.342 158 M C -2.360 173.849 176.300 -0.153 0.000 1.068 158 M CA -1.557 53.518 55.300 -0.375 0.000 0.991 158 M CB 2.012 34.476 32.600 -0.226 0.000 1.596 158 M HN 0.562 nan 8.290 nan 0.000 0.439 159 P HA 0.034 nan 4.420 nan 0.000 0.265 159 P C -1.297 176.044 177.300 0.069 0.000 1.193 159 P CA 0.414 63.477 63.100 -0.062 0.000 0.765 159 P CB 0.281 31.963 31.700 -0.031 0.000 0.823 160 F N 3.726 123.479 119.950 -0.329 0.000 2.588 160 F HA 0.536 4.634 4.527 -0.715 0.000 0.314 160 F C -1.767 173.831 175.800 -0.336 0.000 1.134 160 F CA -0.896 56.990 58.000 -0.189 0.000 0.961 160 F CB 1.241 40.138 39.000 -0.173 0.000 1.239 160 F HN 0.072 nan 8.300 nan 0.000 0.448 161 F N 4.791 124.487 119.950 -0.423 0.000 2.482 161 F HA 0.585 4.684 4.527 -0.713 0.000 0.331 161 F C 0.228 175.863 175.800 -0.275 0.000 1.115 161 F CA -0.868 57.022 58.000 -0.183 0.000 0.955 161 F CB 1.722 40.658 39.000 -0.106 0.000 1.136 161 F HN 0.276 nan 8.300 nan 0.000 0.452 162 R N 1.671 122.291 120.500 0.200 0.000 2.590 162 R HA 0.483 4.397 4.340 -0.710 0.000 0.274 162 R C 0.044 176.433 176.300 0.149 0.000 1.061 162 R CA -0.384 55.847 56.100 0.218 0.000 1.081 162 R CB 0.541 30.995 30.300 0.257 0.000 0.984 162 R HN 0.748 nan 8.270 nan 0.000 0.448 163 A N 1.996 124.896 122.820 0.133 0.000 2.386 163 A HA 0.380 4.274 4.320 -0.710 0.000 0.248 163 A C 0.607 178.262 177.584 0.118 0.000 1.082 163 A CA -0.023 52.059 52.037 0.075 0.000 0.789 163 A CB 0.385 19.435 19.000 0.083 0.000 1.025 163 A HN 0.786 nan 8.150 nan 0.000 0.490 164 G N -0.396 108.417 108.800 0.021 0.000 2.544 164 G HA2 0.478 4.012 3.960 -0.710 0.000 0.242 164 G HA3 0.478 4.012 3.960 -0.710 0.000 0.242 164 G C -0.309 174.624 174.900 0.055 0.000 1.247 164 G CA -0.084 45.000 45.100 -0.028 0.000 0.840 164 G HN 0.938 nan 8.290 nan 0.000 0.578 165 F N -0.372 119.535 119.950 -0.071 0.000 2.611 165 F HA 0.745 4.844 4.527 -0.712 0.000 0.324 165 F C -0.124 175.651 175.800 -0.043 0.000 1.061 165 F CA -1.614 56.348 58.000 -0.063 0.000 0.954 165 F CB 0.961 39.923 39.000 -0.064 0.000 1.301 165 F HN 0.402 nan 8.300 nan 0.000 0.482 166 V N 0.241 120.208 119.914 0.088 0.000 3.336 166 V HA 0.333 4.027 4.120 -0.710 0.000 0.304 166 V C 0.599 176.706 176.094 0.023 0.000 1.073 166 V CA -0.098 62.209 62.300 0.011 0.000 1.074 166 V CB 1.222 33.068 31.823 0.039 0.000 1.161 166 V HN 1.272 nan 8.190 nan 0.000 0.460 167 c N -0.722 117.879 118.600 0.001 0.000 0.168 167 c HA -0.147 3.997 4.570 -0.710 0.000 0.017 167 c C -2.415 171.656 174.090 -0.032 0.000 0.171 167 c CA -0.066 56.272 56.329 0.014 0.000 0.499 167 c CB -2.426 40.119 42.510 0.059 0.000 3.212 167 c HN 0.821 nan 8.230 nan 0.000 1.118 168 P HA 0.230 nan 4.420 nan 0.000 0.279 168 P C 0.157 177.356 177.300 -0.167 0.000 1.318 168 P CA 0.921 63.990 63.100 -0.052 0.000 0.819 168 P CB 0.535 32.236 31.700 0.001 0.000 0.927 169 T N 4.075 118.477 114.554 -0.254 0.000 2.977 169 T HA -0.027 3.897 4.350 -0.710 0.000 0.271 169 T C -0.984 173.407 174.700 -0.515 0.000 1.105 169 T CA 1.528 63.332 62.100 -0.494 0.000 1.116 169 T CB -1.031 67.633 68.868 -0.340 0.000 0.878 169 T HN 0.444 nan 8.240 nan 0.000 0.509 170 P HA 0.127 nan 4.420 nan 0.000 0.215 170 P C -1.926 175.422 177.300 0.080 0.000 1.160 170 P CA 0.698 63.752 63.100 -0.077 0.000 0.869 170 P CB -0.368 31.298 31.700 -0.057 0.000 0.782 171 P HA 0.377 nan 4.420 nan 0.000 0.326 171 P C -1.635 175.758 177.300 0.156 0.000 1.140 171 P CA -0.785 62.368 63.100 0.088 0.000 0.907 171 P CB 1.090 32.736 31.700 -0.091 0.000 1.348 172 Y N -2.170 118.146 120.300 0.026 0.000 2.615 172 Y HA 0.899 5.022 4.550 -0.710 0.000 0.341 172 Y C -0.684 175.169 175.900 -0.078 0.000 1.089 172 Y CA -0.902 57.176 58.100 -0.038 0.000 1.049 172 Y CB 1.080 39.420 38.460 -0.199 0.000 1.296 172 Y HN 0.599 nan 8.280 nan 0.000 0.470 173 Q N 0.365 120.304 119.800 0.231 0.000 2.819 173 Q HA 0.471 4.384 4.340 -0.710 0.000 0.335 173 Q C -1.014 174.986 176.000 0.000 0.000 0.779 173 Q CA -0.480 55.388 55.803 0.108 0.000 0.848 173 Q CB 1.577 30.317 28.738 0.004 0.000 1.332 173 Q HN 1.080 nan 8.270 nan 0.000 0.505 174 S N 0.662 116.316 115.700 -0.078 0.000 2.549 174 S HA 0.368 4.412 4.470 -0.710 0.000 0.278 174 S C 0.149 174.697 174.600 -0.086 0.000 1.344 174 S CA 0.329 58.447 58.200 -0.136 0.000 1.025 174 S CB 0.549 63.591 63.200 -0.263 0.000 0.851 174 S HN 1.397 nan 8.310 nan 0.000 0.530 175 L N -0.820 120.358 121.223 -0.076 0.000 1.347 175 L HA 0.154 4.068 4.340 -0.710 0.000 0.353 175 L C -0.070 176.775 176.870 -0.042 0.000 0.988 175 L CA 1.016 55.852 54.840 -0.006 0.000 1.219 175 L CB -1.285 40.805 42.059 0.052 0.000 0.439 175 L HN 1.651 nan 8.230 nan 0.000 0.205 176 A N 1.394 124.224 122.820 0.017 0.000 2.279 176 A HA 0.732 4.626 4.320 -0.710 0.000 0.303 176 A C 0.150 177.725 177.584 -0.014 0.000 1.108 176 A CA 0.046 52.092 52.037 0.015 0.000 0.830 176 A CB 0.534 19.642 19.000 0.181 0.000 1.106 176 A HN 0.755 nan 8.150 nan 0.000 0.493 177 R N 0.854 121.258 120.500 -0.160 0.000 2.484 177 R HA 0.126 4.040 4.340 -0.710 0.000 0.293 177 R C -1.208 175.149 176.300 0.095 0.000 1.023 177 R CA 0.192 56.206 56.100 -0.143 0.000 1.037 177 R CB 0.112 30.146 30.300 -0.442 0.000 0.951 177 R HN 0.659 nan 8.270 nan 0.000 0.418 178 D N 3.219 123.676 120.400 0.095 0.000 2.217 178 D HA 0.164 4.378 4.640 -0.710 0.000 0.243 178 D C -0.544 175.813 176.300 0.096 0.000 1.054 178 D CA -0.525 53.541 54.000 0.109 0.000 0.838 178 D CB 1.936 42.797 40.800 0.101 0.000 1.162 178 D HN 0.342 nan 8.370 nan 0.000 0.472 179 Q N 0.800 120.627 119.800 0.045 0.000 2.227 179 Q HA 0.482 4.396 4.340 -0.710 0.000 0.245 179 Q C 0.004 176.012 176.000 0.013 0.000 0.926 179 Q CA -0.382 55.414 55.803 -0.013 0.000 0.895 179 Q CB 1.810 30.404 28.738 -0.240 0.000 1.230 179 Q HN 0.400 nan 8.270 nan 0.000 0.450 180 I N 1.620 122.179 120.570 -0.019 0.000 2.581 180 I HA 0.119 3.863 4.170 -0.710 0.000 0.288 180 I C 0.070 176.166 176.117 -0.036 0.000 1.047 180 I CA -0.363 60.916 61.300 -0.036 0.000 1.374 180 I CB 0.706 38.654 38.000 -0.085 0.000 1.423 180 I HN 0.502 nan 8.210 nan 0.000 0.549 181 N N 3.985 122.678 118.700 -0.013 0.000 2.476 181 N HA 0.395 4.709 4.740 -0.710 0.000 0.257 181 N C 0.094 175.609 175.510 0.008 0.000 0.970 181 N CA -0.393 52.661 53.050 0.006 0.000 0.938 181 N CB 1.767 40.276 38.487 0.036 0.000 1.144 181 N HN 0.658 nan 8.380 nan 0.000 0.500 182 A N 2.468 125.287 122.820 -0.001 0.000 2.251 182 A HA 0.213 4.107 4.320 -0.710 0.000 0.209 182 A C 0.504 178.163 177.584 0.124 0.000 1.187 182 A CA 0.402 52.456 52.037 0.028 0.000 0.823 182 A CB -0.360 18.609 19.000 -0.052 0.000 0.846 182 A HN 0.503 nan 8.150 nan 0.000 0.486 183 V N -3.473 116.525 119.914 0.140 0.000 3.126 183 V HA 0.763 4.457 4.120 -0.710 0.000 0.314 183 V C 0.026 176.188 176.094 0.113 0.000 1.138 183 V CA -0.290 62.095 62.300 0.142 0.000 1.034 183 V CB 1.025 32.943 31.823 0.157 0.000 1.075 183 V HN 0.339 nan 8.190 nan 0.000 0.442 184 T N -0.741 113.893 114.554 0.135 0.000 2.884 184 T HA 0.267 4.191 4.350 -0.710 0.000 0.298 184 T C 0.978 175.708 174.700 0.050 0.000 0.998 184 T CA 0.441 62.620 62.100 0.131 0.000 1.124 184 T CB 1.002 70.031 68.868 0.268 0.000 0.931 184 T HN 0.811 nan 8.240 nan 0.000 0.531 185 S N 1.883 117.478 115.700 -0.174 0.000 2.474 185 S HA 0.103 4.147 4.470 -0.710 0.000 0.235 185 S C 0.310 174.775 174.600 -0.225 0.000 0.997 185 S CA 0.394 58.436 58.200 -0.263 0.000 0.949 185 S CB -0.565 62.386 63.200 -0.414 0.000 0.766 185 S HN 0.686 nan 8.310 nan 0.000 0.517 186 F N 0.848 120.915 119.950 0.195 0.000 2.410 186 F HA 0.351 4.452 4.527 -0.709 0.000 0.334 186 F C 0.300 176.262 175.800 0.271 0.000 1.134 186 F CA -1.285 56.863 58.000 0.246 0.000 1.227 186 F CB 0.224 39.370 39.000 0.244 0.000 1.194 186 F HN -0.090 nan 8.300 nan 0.000 0.571 187 L N 3.688 125.229 121.223 0.529 0.000 2.387 187 L HA 0.226 4.140 4.340 -0.710 0.000 0.267 187 L C 0.176 177.279 176.870 0.389 0.000 1.197 187 L CA -0.071 55.042 54.840 0.455 0.000 1.070 187 L CB -1.205 41.193 42.059 0.565 0.000 1.349 187 L HN 0.623 nan 8.230 nan 0.000 0.422 188 D N 2.304 122.906 120.400 0.337 0.000 2.535 188 D HA 0.226 4.440 4.640 -0.710 0.000 0.229 188 D C 0.791 177.243 176.300 0.252 0.000 1.238 188 D CA 0.263 54.427 54.000 0.274 0.000 0.824 188 D CB 0.190 41.149 40.800 0.266 0.000 1.045 188 D HN 0.414 nan 8.370 nan 0.000 0.500 189 A N 0.347 123.317 122.820 0.250 0.000 2.869 189 A HA -0.243 3.651 4.320 -0.710 0.000 0.280 189 A C 1.684 179.418 177.584 0.250 0.000 1.458 189 A CA 0.958 53.138 52.037 0.238 0.000 0.776 189 A CB -2.602 16.599 19.000 0.336 0.000 1.028 189 A HN 0.302 nan 8.150 nan 0.000 0.547 190 S N -0.652 115.174 115.700 0.210 0.000 2.400 190 S HA -0.160 3.884 4.470 -0.710 0.000 0.232 190 S C 1.814 176.489 174.600 0.126 0.000 1.025 190 S CA 1.728 60.042 58.200 0.190 0.000 0.993 190 S CB -0.545 62.760 63.200 0.174 0.000 0.808 190 S HN 1.601 nan 8.310 nan 0.000 0.478 191 L N 0.049 121.317 121.223 0.075 0.000 2.275 191 L HA 0.124 4.038 4.340 -0.710 0.000 0.215 191 L C 1.888 178.771 176.870 0.023 0.000 1.119 191 L CA 1.039 55.918 54.840 0.066 0.000 0.790 191 L CB -0.952 41.126 42.059 0.031 0.000 0.919 191 L HN 0.082 nan 8.230 nan 0.000 0.443 192 V N -1.365 118.461 119.914 -0.146 0.000 2.599 192 V HA -0.077 3.617 4.120 -0.710 0.000 0.245 192 V C 1.877 177.706 176.094 -0.440 0.000 1.046 192 V CA 1.404 63.466 62.300 -0.397 0.000 1.065 192 V CB -0.585 30.787 31.823 -0.753 0.000 0.703 192 V HN 0.443 nan 8.190 nan 0.000 0.464 193 Y N 0.297 120.621 120.300 0.041 0.000 2.458 193 Y HA 0.554 4.679 4.550 -0.708 0.000 0.254 193 Y C 1.358 177.301 175.900 0.071 0.000 1.120 193 Y CA 0.452 58.587 58.100 0.058 0.000 1.282 193 Y CB 0.555 39.053 38.460 0.064 0.000 1.109 193 Y HN 0.327 nan 8.280 nan 0.000 0.526 194 G N 0.031 108.935 108.800 0.173 0.000 2.699 194 G HA2 -0.169 3.365 3.960 -0.710 0.000 0.686 194 G HA3 -0.169 3.365 3.960 -0.710 0.000 0.686 194 G C 0.146 175.134 174.900 0.146 0.000 1.301 194 G CA -0.191 44.989 45.100 0.134 0.000 0.816 194 G HN 0.046 nan 8.290 nan 0.000 0.595 195 S N 0.297 116.069 115.700 0.120 0.000 2.603 195 S HA 0.297 4.340 4.470 -0.710 0.000 0.232 195 S C 0.401 175.058 174.600 0.096 0.000 1.016 195 S CA 0.478 58.750 58.200 0.120 0.000 0.976 195 S CB 0.430 63.704 63.200 0.125 0.000 0.921 195 S HN 0.618 nan 8.310 nan 0.000 0.516 196 E N 1.797 122.046 120.200 0.082 0.000 2.238 196 E HA 0.413 4.337 4.350 -0.710 0.000 0.267 196 E C -2.823 173.810 176.600 0.054 0.000 0.887 196 E CA -2.353 54.083 56.400 0.061 0.000 0.769 196 E CB 1.374 31.102 29.700 0.047 0.000 1.187 196 E HN 0.004 nan 8.360 nan 0.000 0.416 200 A N -0.456 122.391 122.820 0.044 0.000 2.019 200 A HA -0.121 3.773 4.320 -0.710 0.000 0.219 200 A C 2.253 179.834 177.584 -0.004 0.000 1.164 200 A CA 2.289 54.365 52.037 0.066 0.000 0.644 200 A CB -0.693 18.368 19.000 0.101 0.000 0.805 200 A HN 0.498 nan 8.150 nan 0.000 0.449 201 S N -1.059 114.619 115.700 -0.036 0.000 2.395 201 S HA -0.049 3.995 4.470 -0.710 0.000 0.225 201 S C 2.104 176.665 174.600 -0.064 0.000 1.027 201 S CA 0.716 58.867 58.200 -0.082 0.000 0.965 201 S CB -0.262 62.899 63.200 -0.066 0.000 0.812 201 S HN 0.626 nan 8.310 nan 0.000 0.482 202 R N 0.384 120.864 120.500 -0.033 0.000 2.148 202 R HA 0.111 4.025 4.340 -0.710 0.000 0.223 202 R C 1.917 178.202 176.300 -0.026 0.000 1.088 202 R CA 0.897 56.983 56.100 -0.024 0.000 0.985 202 R CB -0.278 30.017 30.300 -0.009 0.000 0.880 202 R HN 0.420 nan 8.270 nan 0.000 0.451 203 L N 0.052 121.261 121.223 -0.023 0.000 2.313 203 L HA 0.007 3.921 4.340 -0.710 0.000 0.214 203 L C 0.911 177.755 176.870 -0.044 0.000 1.119 203 L CA 0.512 55.335 54.840 -0.028 0.000 0.809 203 L CB -0.133 41.920 42.059 -0.009 0.000 0.933 203 L HN 0.009 nan 8.230 nan 0.000 0.449 204 R N 0.945 121.406 120.500 -0.064 0.000 2.539 204 R HA 0.066 3.979 4.340 -0.710 0.000 0.275 204 R C 0.154 176.416 176.300 -0.063 0.000 1.077 204 R CA -0.358 55.686 56.100 -0.093 0.000 1.097 204 R CB 0.320 30.485 30.300 -0.225 0.000 1.018 204 R HN -0.092 nan 8.270 nan 0.000 0.483 205 N N 3.201 121.880 118.700 -0.035 0.000 2.719 205 N HA 0.060 4.374 4.740 -0.710 0.000 0.243 205 N C 0.234 175.732 175.510 -0.019 0.000 1.104 205 N CA 0.027 53.068 53.050 -0.014 0.000 0.981 205 N CB 0.389 38.885 38.487 0.016 0.000 1.290 205 N HN 0.528 nan 8.380 nan 0.000 0.513 206 L N 0.960 122.161 121.223 -0.037 0.000 2.591 206 L HA 0.079 3.993 4.340 -0.710 0.000 0.228 206 L C 1.839 178.699 176.870 -0.016 0.000 1.133 206 L CA 0.099 54.915 54.840 -0.040 0.000 0.880 206 L CB -0.006 42.018 42.059 -0.058 0.000 1.033 206 L HN 0.341 nan 8.230 nan 0.000 0.450 207 S N -0.331 115.366 115.700 -0.005 0.000 2.399 207 S HA -0.080 3.964 4.470 -0.710 0.000 0.231 207 S C 0.990 175.597 174.600 0.011 0.000 1.022 207 S CA 1.092 59.295 58.200 0.006 0.000 0.983 207 S CB -0.087 63.121 63.200 0.013 0.000 0.803 207 S HN 0.604 nan 8.310 nan 0.000 0.480 208 S N 0.407 116.116 115.700 0.015 0.000 2.568 208 S HA 0.573 4.617 4.470 -0.710 0.000 0.293 208 S C -3.182 171.431 174.600 0.023 0.000 1.089 208 S CA -1.595 56.618 58.200 0.022 0.000 0.945 208 S CB 1.755 64.972 63.200 0.030 0.000 1.077 208 S HN -0.085 nan 8.310 nan 0.000 0.485 209 P HA 0.386 nan 4.420 nan 0.000 0.220 209 P C -0.090 177.239 177.300 0.048 0.000 1.793 209 P CA -0.200 62.919 63.100 0.032 0.000 0.917 209 P CB -0.462 31.258 31.700 0.033 0.000 1.755 210 L N -1.756 119.499 121.223 0.053 0.000 2.766 210 L HA 0.372 4.285 4.340 -0.710 0.000 0.242 210 L C 1.493 178.417 176.870 0.089 0.000 1.136 210 L CA 0.339 55.218 54.840 0.065 0.000 0.933 210 L CB -0.333 41.759 42.059 0.055 0.000 1.241 210 L HN 0.202 nan 8.230 nan 0.000 0.522 211 G N 1.123 109.984 108.800 0.101 0.000 2.153 211 G HA2 -0.264 3.270 3.960 -0.710 0.000 0.252 211 G HA3 -0.264 3.270 3.960 -0.710 0.000 0.252 211 G C 0.241 175.317 174.900 0.293 0.000 0.994 211 G CA 0.082 45.286 45.100 0.173 0.000 0.698 211 G HN 0.225 nan 8.290 nan 0.000 0.521 212 L N 0.148 121.495 121.223 0.206 0.000 2.456 212 L HA 0.575 4.488 4.340 -0.710 0.000 0.257 212 L C 1.249 178.224 176.870 0.176 0.000 1.162 212 L CA -0.803 54.180 54.840 0.239 0.000 0.808 212 L CB 0.505 42.644 42.059 0.133 0.000 1.136 212 L HN 0.038 nan 8.230 nan 0.000 0.466 213 M N 1.133 120.791 119.600 0.096 0.000 2.314 213 M HA 0.341 4.395 4.480 -0.710 0.000 0.342 213 M C 0.173 176.454 176.300 -0.032 0.000 1.171 213 M CA -0.497 54.775 55.300 -0.047 0.000 1.098 213 M CB 1.333 33.810 32.600 -0.204 0.000 1.559 213 M HN 0.674 nan 8.290 nan 0.000 0.459 214 A N 2.577 125.367 122.820 -0.050 0.000 2.498 214 A HA 0.463 4.357 4.320 -0.710 0.000 0.239 214 A C 0.078 177.605 177.584 -0.095 0.000 1.068 214 A CA -0.428 51.577 52.037 -0.053 0.000 0.766 214 A CB -0.038 18.933 19.000 -0.049 0.000 1.003 214 A HN 0.794 nan 8.150 nan 0.000 0.497 215 V N 0.716 120.561 119.914 -0.113 0.000 3.126 215 V HA 0.564 4.258 4.120 -0.710 0.000 0.314 215 V C 0.179 176.105 176.094 -0.279 0.000 1.138 215 V CA -1.432 60.736 62.300 -0.221 0.000 1.034 215 V CB 1.679 33.345 31.823 -0.262 0.000 1.075 215 V HN 0.854 nan 8.190 nan 0.000 0.442 216 N N 1.729 120.171 118.700 -0.430 0.000 2.483 216 N HA 0.128 4.442 4.740 -0.710 0.000 0.264 216 N C 0.537 175.754 175.510 -0.488 0.000 1.197 216 N CA 0.211 52.980 53.050 -0.469 0.000 0.927 216 N CB 1.383 39.522 38.487 -0.580 0.000 1.065 216 N HN 0.793 nan 8.380 nan 0.000 0.461 217 Q N 2.181 121.857 119.800 -0.206 0.000 2.378 217 Q HA 0.048 3.962 4.340 -0.710 0.000 0.216 217 Q C 0.546 176.614 176.000 0.112 0.000 0.892 217 Q CA 0.576 56.391 55.803 0.019 0.000 0.931 217 Q CB 0.399 29.186 28.738 0.082 0.000 1.086 217 Q HN 0.611 nan 8.270 nan 0.000 0.528 218 E N 0.611 120.833 120.200 0.036 0.000 2.276 218 E HA 0.176 4.100 4.350 -0.710 0.000 0.193 218 E C -0.139 176.562 176.600 0.169 0.000 0.983 218 E CA 0.353 56.844 56.400 0.152 0.000 0.861 218 E CB 0.652 30.492 29.700 0.233 0.000 0.817 218 E HN 0.200 nan 8.360 nan 0.000 0.485 219 A N -0.365 122.459 122.820 0.006 0.000 2.414 219 A HA 0.669 4.563 4.320 -0.710 0.000 0.306 219 A C -1.624 175.918 177.584 -0.070 0.000 1.054 219 A CA -0.661 51.441 52.037 0.108 0.000 0.724 219 A CB 0.756 19.855 19.000 0.165 0.000 1.267 219 A HN 0.140 nan 8.150 nan 0.000 0.418 220 W N -0.168 121.242 121.300 0.184 0.000 2.992 220 W HA 0.589 4.825 4.660 -0.707 0.000 0.342 220 W C -0.849 175.647 176.519 -0.039 0.000 1.176 220 W CA -0.057 57.304 57.345 0.026 0.000 1.118 220 W CB 1.746 31.194 29.460 -0.020 0.000 1.457 220 W HN 0.581 nan 8.180 nan 0.000 0.573 221 D N 0.539 120.953 120.400 0.025 0.000 2.400 221 D HA 0.155 4.369 4.640 -0.710 0.000 0.272 221 D C -0.035 176.300 176.300 0.058 0.000 1.220 221 D CA -0.125 53.808 54.000 -0.112 0.000 0.897 221 D CB -0.334 40.195 40.800 -0.452 0.000 1.134 221 D HN 0.544 nan 8.370 nan 0.000 0.507 222 H N 1.868 121.014 119.070 0.126 0.000 2.655 222 H HA -0.205 3.924 4.556 -0.711 0.000 0.313 222 H C 1.211 176.620 175.328 0.135 0.000 1.141 222 H CA 1.331 57.447 56.048 0.114 0.000 1.138 222 H CB -1.342 28.494 29.762 0.124 0.000 1.446 222 H HN 0.751 nan 8.280 nan 0.000 0.415 223 G N -1.009 107.886 108.800 0.159 0.000 2.176 223 G HA2 -0.294 3.239 3.960 -0.710 0.000 0.253 223 G HA3 -0.294 3.239 3.960 -0.710 0.000 0.253 223 G C 0.266 175.261 174.900 0.159 0.000 0.979 223 G CA 0.406 45.552 45.100 0.077 0.000 0.641 223 G HN 0.456 nan 8.290 nan 0.000 0.530 224 L N 0.053 121.388 121.223 0.186 0.000 2.332 224 L HA 0.866 4.780 4.340 -0.710 0.000 0.269 224 L C 0.819 177.696 176.870 0.010 0.000 1.016 224 L CA -0.721 54.163 54.840 0.074 0.000 0.809 224 L CB 1.774 43.777 42.059 -0.093 0.000 1.280 224 L HN 0.259 nan 8.230 nan 0.000 0.447 225 A N 0.396 123.123 122.820 -0.156 0.000 2.282 225 A HA 0.675 4.569 4.320 -0.710 0.000 0.319 225 A C -1.393 175.822 177.584 -0.616 0.000 1.121 225 A CA -0.200 51.601 52.037 -0.394 0.000 0.836 225 A CB 0.522 19.377 19.000 -0.242 0.000 1.146 225 A HN 0.565 nan 8.150 nan 0.000 0.494 226 Y N 0.541 120.541 120.300 -0.501 0.000 2.509 226 Y HA 0.465 4.588 4.550 -0.713 0.000 0.341 226 Y C -1.941 173.597 175.900 -0.604 0.000 1.038 226 Y CA -2.448 55.302 58.100 -0.584 0.000 1.089 226 Y CB 2.031 40.149 38.460 -0.569 0.000 1.241 226 Y HN 0.477 nan 8.280 nan 0.000 0.468 227 P HA 0.024 nan 4.420 nan 0.000 0.269 227 P C -2.642 174.481 177.300 -0.296 0.000 1.209 227 P CA -1.229 61.640 63.100 -0.385 0.000 0.776 227 P CB -0.033 31.433 31.700 -0.390 0.000 0.876 228 P HA 0.053 nan 4.420 nan 0.000 0.269 228 P C -0.293 177.003 177.300 -0.007 0.000 1.215 228 P CA 0.195 63.200 63.100 -0.159 0.000 0.780 228 P CB 0.212 31.866 31.700 -0.077 0.000 0.898 229 F N 0.937 120.944 119.950 0.095 0.000 2.484 229 F HA 0.108 4.207 4.527 -0.713 0.000 0.360 229 F C 1.562 177.390 175.800 0.048 0.000 1.101 229 F CA 0.078 58.128 58.000 0.084 0.000 1.251 229 F CB -0.504 38.516 39.000 0.034 0.000 1.132 229 F HN 0.250 nan 8.300 nan 0.000 0.570 230 N N 2.999 121.854 118.700 0.258 0.000 2.401 230 N HA 0.017 4.331 4.740 -0.710 0.000 0.255 230 N C 0.024 175.591 175.510 0.094 0.000 1.110 230 N CA 0.142 53.272 53.050 0.134 0.000 0.949 230 N CB -0.025 38.522 38.487 0.100 0.000 1.110 230 N HN 0.398 nan 8.380 nan 0.000 0.490 231 N N 2.702 121.445 118.700 0.072 0.000 2.295 231 N HA 0.067 4.381 4.740 -0.710 0.000 0.221 231 N C -0.705 174.812 175.510 0.011 0.000 1.129 231 N CA -0.019 53.053 53.050 0.037 0.000 0.836 231 N CB 0.452 38.967 38.487 0.046 0.000 1.040 231 N HN 0.280 nan 8.380 nan 0.000 0.494 232 V N 1.630 121.549 119.914 0.008 0.000 2.488 232 V HA 0.123 3.817 4.120 -0.710 0.000 0.277 232 V C 0.568 176.651 176.094 -0.018 0.000 1.046 232 V CA -0.149 62.147 62.300 -0.008 0.000 0.986 232 V CB 0.962 32.778 31.823 -0.010 0.000 0.989 232 V HN -0.040 nan 8.190 nan 0.000 0.475 233 K N 5.773 126.159 120.400 -0.022 0.000 2.182 233 K HA 0.560 4.454 4.320 -0.710 0.000 0.262 233 K C -2.182 174.398 176.600 -0.033 0.000 0.957 233 K CA -1.416 54.857 56.287 -0.024 0.000 0.842 233 K CB 1.657 34.146 32.500 -0.019 0.000 1.099 233 K HN 0.562 nan 8.250 nan 0.000 0.438 234 P HA 0.137 nan 4.420 nan 0.000 0.281 234 P C -0.937 176.341 177.300 -0.037 0.000 1.249 234 P CA -0.524 62.562 63.100 -0.024 0.000 0.810 234 P CB 1.359 33.044 31.700 -0.026 0.000 1.008 235 S N 1.478 117.174 115.700 -0.007 0.000 2.437 235 S HA 0.439 4.483 4.470 -0.710 0.000 0.305 235 S C -1.736 172.867 174.600 0.005 0.000 1.109 235 S CA -1.669 56.523 58.200 -0.014 0.000 1.099 235 S CB 0.895 64.090 63.200 -0.008 0.000 1.004 235 S HN 0.172 nan 8.310 nan 0.000 0.475 236 P HA 0.024 nan 4.420 nan 0.000 0.218 236 P C 1.050 178.390 177.300 0.067 0.000 1.149 236 P CA 0.847 63.884 63.100 -0.105 0.000 0.817 236 P CB -0.001 31.341 31.700 -0.597 0.000 0.785 237 c N -0.738 117.919 118.600 0.094 0.000 2.464 237 c HA 0.002 4.146 4.570 -0.710 0.000 0.278 237 c C 2.490 176.628 174.090 0.080 0.000 1.375 237 c CA 0.549 56.953 56.329 0.124 0.000 1.761 237 c CB -1.427 41.128 42.510 0.076 0.000 1.944 237 c HN 0.334 nan 8.230 nan 0.000 0.509 238 E N -0.052 120.179 120.200 0.052 0.000 2.158 238 E HA -0.123 3.801 4.350 -0.710 0.000 0.191 238 E C 1.745 178.371 176.600 0.044 0.000 0.982 238 E CA 0.762 57.173 56.400 0.019 0.000 0.823 238 E CB -0.201 29.507 29.700 0.013 0.000 0.766 238 E HN 0.712 nan 8.360 nan 0.000 0.468 239 F N 1.986 121.923 119.950 -0.021 0.000 2.095 239 F HA -0.209 3.893 4.527 -0.710 0.000 0.298 239 F C 2.133 177.926 175.800 -0.011 0.000 1.104 239 F CA 1.665 59.667 58.000 0.003 0.000 1.232 239 F CB -0.123 38.917 39.000 0.066 0.000 0.987 239 F HN -0.021 nan 8.300 nan 0.000 0.475 240 I N -1.543 119.127 120.570 0.165 0.000 2.567 240 I HA -0.153 3.591 4.170 -0.710 0.000 0.257 240 I C 0.225 176.313 176.117 -0.048 0.000 1.184 240 I CA 1.310 62.657 61.300 0.078 0.000 1.451 240 I CB -0.530 37.513 38.000 0.070 0.000 1.089 240 I HN 0.172 nan 8.210 nan 0.000 0.441 241 N N 0.412 119.022 118.700 -0.150 0.000 2.701 241 N HA 0.162 4.476 4.740 -0.710 0.000 0.258 241 N C 0.241 175.523 175.510 -0.380 0.000 1.262 241 N CA -0.113 52.725 53.050 -0.353 0.000 0.780 241 N CB 1.300 39.365 38.487 -0.703 0.000 1.380 241 N HN -0.032 nan 8.380 nan 0.000 0.548 242 T N 0.169 114.506 114.554 -0.361 0.000 2.962 242 T HA -0.055 3.869 4.350 -0.710 0.000 0.270 242 T C 1.511 175.855 174.700 -0.593 0.000 1.088 242 T CA 1.381 63.265 62.100 -0.360 0.000 1.127 242 T CB 0.179 68.887 68.868 -0.267 0.000 0.883 242 T HN 0.425 nan 8.240 nan 0.000 0.493 243 T N 1.928 116.157 114.554 -0.540 0.000 2.777 243 T HA 0.026 3.950 4.350 -0.710 0.000 0.266 243 T C 2.437 176.724 174.700 -0.689 0.000 1.040 243 T CA 1.076 62.840 62.100 -0.560 0.000 1.141 243 T CB -0.388 68.244 68.868 -0.393 0.000 0.868 243 T HN 0.444 nan 8.240 nan 0.000 0.444 244 A N 0.638 123.085 122.820 -0.620 0.000 1.929 244 A HA -0.068 3.826 4.320 -0.710 0.000 0.216 244 A C 0.821 178.238 177.584 -0.278 0.000 1.176 244 A CA 1.007 52.783 52.037 -0.435 0.000 0.628 244 A CB -0.521 18.190 19.000 -0.480 0.000 0.816 244 A HN 0.672 nan 8.150 nan 0.000 0.444 245 H N -2.182 116.779 119.070 -0.182 0.000 2.839 245 H HA -0.122 4.008 4.556 -0.711 0.000 0.298 245 H C -0.659 174.531 175.328 -0.231 0.000 1.224 245 H CA 0.732 56.677 56.048 -0.173 0.000 1.144 245 H CB -2.488 27.186 29.762 -0.146 0.000 1.372 245 H HN 0.275 nan 8.280 nan 0.000 0.408 246 V N 2.066 121.898 119.914 -0.136 0.000 2.318 246 V HA 0.253 3.947 4.120 -0.710 0.000 0.271 246 V C -1.670 174.253 176.094 -0.285 0.000 1.030 246 V CA -1.209 60.938 62.300 -0.256 0.000 0.844 246 V CB 1.680 33.465 31.823 -0.064 0.000 1.015 246 V HN 0.036 nan 8.190 nan 0.000 0.460 247 P HA 0.308 nan 4.420 nan 0.000 0.279 247 P C -0.263 176.936 177.300 -0.168 0.000 1.282 247 P CA -0.679 62.255 63.100 -0.277 0.000 0.788 247 P CB 0.578 32.099 31.700 -0.298 0.000 1.139 248 c N -0.185 118.389 118.600 -0.043 0.000 2.657 248 c HA 0.306 4.450 4.570 -0.710 0.000 0.404 248 c C 0.706 174.836 174.090 0.068 0.000 1.291 248 c CA -0.043 56.272 56.329 -0.024 0.000 2.218 248 c CB -1.389 41.179 42.510 0.098 0.000 2.687 248 c HN 0.347 nan 8.230 nan 0.000 0.634 249 F N 1.144 121.157 119.950 0.105 0.000 2.450 249 F HA 0.282 4.379 4.527 -0.717 0.000 0.339 249 F C 0.697 176.495 175.800 -0.004 0.000 1.146 249 F CA -0.013 58.009 58.000 0.037 0.000 1.267 249 F CB 0.308 39.281 39.000 -0.044 0.000 1.178 249 F HN 0.511 nan 8.300 nan 0.000 0.585 250 Q N 1.884 121.805 119.800 0.201 0.000 2.394 250 Q HA 0.655 4.569 4.340 -0.710 0.000 0.259 250 Q C -1.074 174.933 176.000 0.011 0.000 1.021 250 Q CA -0.484 55.365 55.803 0.078 0.000 0.805 250 Q CB 1.202 29.981 28.738 0.068 0.000 1.226 250 Q HN 0.845 nan 8.270 nan 0.000 0.476 251 A N 2.297 125.104 122.820 -0.021 0.000 2.578 251 A HA 0.771 4.665 4.320 -0.710 0.000 0.255 251 A C 0.784 178.365 177.584 -0.005 0.000 1.251 251 A CA 0.028 52.049 52.037 -0.028 0.000 0.882 251 A CB 0.386 19.357 19.000 -0.048 0.000 1.416 251 A HN 0.780 nan 8.150 nan 0.000 0.462 252 G N -1.089 107.725 108.800 0.023 0.000 2.464 252 G HA2 0.158 3.692 3.960 -0.710 0.000 0.217 252 G HA3 0.158 3.692 3.960 -0.710 0.000 0.217 252 G C 0.152 175.077 174.900 0.041 0.000 1.138 252 G CA 1.216 46.341 45.100 0.042 0.000 0.793 252 G HN 0.715 nan 8.290 nan 0.000 0.539 253 D N -0.915 119.507 120.400 0.037 0.000 2.168 253 D HA 0.406 4.620 4.640 -0.710 0.000 0.246 253 D C 1.505 177.728 176.300 -0.128 0.000 1.050 253 D CA -0.140 53.831 54.000 -0.048 0.000 0.857 253 D CB 1.587 42.383 40.800 -0.007 0.000 1.169 253 D HN 0.012 nan 8.370 nan 0.000 0.453 254 S N 2.912 118.507 115.700 -0.175 0.000 2.603 254 S HA -0.004 4.040 4.470 -0.710 0.000 0.220 254 S C 1.139 175.648 174.600 -0.152 0.000 0.967 254 S CA 0.055 58.184 58.200 -0.119 0.000 0.920 254 S CB -0.044 63.136 63.200 -0.034 0.000 0.773 254 S HN 0.526 nan 8.310 nan 0.000 0.529 255 R N 0.581 120.912 120.500 -0.282 0.000 2.393 255 R HA 0.434 4.348 4.340 -0.710 0.000 0.244 255 R C 1.877 178.072 176.300 -0.176 0.000 0.920 255 R CA 0.466 56.418 56.100 -0.246 0.000 1.076 255 R CB -0.204 29.822 30.300 -0.457 0.000 1.119 255 R HN 0.442 nan 8.270 nan 0.000 0.524 256 A N 1.059 123.732 122.820 -0.245 0.000 2.131 256 A HA -0.095 3.798 4.320 -0.710 0.000 0.220 256 A C 1.475 178.918 177.584 -0.236 0.000 1.158 256 A CA 1.318 53.082 52.037 -0.456 0.000 0.665 256 A CB -0.016 18.447 19.000 -0.895 0.000 0.795 256 A HN 0.181 nan 8.150 nan 0.000 0.460 257 S N -0.736 114.860 115.700 -0.174 0.000 2.602 257 S HA 0.104 4.148 4.470 -0.710 0.000 0.240 257 S C 1.211 175.522 174.600 -0.483 0.000 0.992 257 S CA -0.128 57.973 58.200 -0.166 0.000 0.971 257 S CB 0.322 63.501 63.200 -0.034 0.000 0.855 257 S HN 0.615 nan 8.310 nan 0.000 0.481 258 E N 2.292 122.145 120.200 -0.578 0.000 2.204 258 E HA -0.131 3.793 4.350 -0.710 0.000 0.194 258 E C 0.502 176.849 176.600 -0.421 0.000 0.989 258 E CA 0.992 56.857 56.400 -0.892 0.000 0.824 258 E CB 0.244 29.673 29.700 -0.451 0.000 0.756 258 E HN 0.809 nan 8.360 nan 0.000 0.477 259 Q N -1.607 118.087 119.800 -0.176 0.000 2.435 259 Q HA 0.290 4.204 4.340 -0.710 0.000 0.282 259 Q C 0.666 176.642 176.000 -0.039 0.000 1.020 259 Q CA -0.427 55.370 55.803 -0.010 0.000 0.820 259 Q CB 0.698 29.496 28.738 0.100 0.000 1.436 259 Q HN -0.029 nan 8.270 nan 0.000 0.395 260 I N 1.080 121.620 120.570 -0.051 0.000 2.194 260 I HA -0.271 3.472 4.170 -0.710 0.000 0.246 260 I C 1.182 177.297 176.117 -0.004 0.000 1.093 260 I CA 1.544 62.811 61.300 -0.054 0.000 1.355 260 I CB 0.119 38.051 38.000 -0.114 0.000 1.046 260 I HN 0.801 nan 8.210 nan 0.000 0.413 261 L N -0.400 120.824 121.223 0.000 0.000 2.313 261 L HA -0.139 3.775 4.340 -0.710 0.000 0.214 261 L C 2.278 179.175 176.870 0.044 0.000 1.119 261 L CA 0.335 55.190 54.840 0.024 0.000 0.809 261 L CB -0.373 41.698 42.059 0.021 0.000 0.933 261 L HN 0.342 nan 8.230 nan 0.000 0.449 262 L N 0.194 121.436 121.223 0.031 0.000 2.072 262 L HA -0.032 3.882 4.340 -0.710 0.000 0.205 262 L C 2.600 179.562 176.870 0.153 0.000 1.079 262 L CA 1.798 56.670 54.840 0.054 0.000 0.752 262 L CB -0.531 41.526 42.059 -0.004 0.000 0.906 262 L HN 0.109 nan 8.230 nan 0.000 0.436 263 A N -1.551 121.338 122.820 0.116 0.000 1.969 263 A HA -0.156 3.738 4.320 -0.710 0.000 0.218 263 A C 2.196 179.885 177.584 0.176 0.000 1.169 263 A CA 2.007 54.157 52.037 0.187 0.000 0.635 263 A CB -1.079 18.087 19.000 0.277 0.000 0.810 263 A HN 0.510 nan 8.150 nan 0.000 0.445 264 T N -0.347 114.287 114.554 0.134 0.000 2.708 264 T HA -0.115 3.809 4.350 -0.710 0.000 0.266 264 T C 1.821 176.583 174.700 0.104 0.000 1.037 264 T CA 1.714 63.878 62.100 0.106 0.000 1.146 264 T CB -0.374 68.543 68.868 0.082 0.000 0.865 264 T HN 0.179 nan 8.240 nan 0.000 0.435 265 V N 0.834 120.830 119.914 0.136 0.000 2.591 265 V HA -0.110 3.584 4.120 -0.710 0.000 0.249 265 V C 2.379 178.510 176.094 0.062 0.000 1.053 265 V CA 1.186 63.581 62.300 0.159 0.000 1.068 265 V CB -0.682 31.271 31.823 0.216 0.000 0.689 265 V HN 0.579 nan 8.190 nan 0.000 0.462 266 H N 0.429 119.499 119.070 0.000 0.000 2.387 266 H HA -0.137 3.983 4.556 -0.727 0.000 0.299 266 H C 2.453 177.713 175.328 -0.114 0.000 1.099 266 H CA 2.084 58.098 56.048 -0.057 0.000 1.315 266 H CB -0.051 29.680 29.762 -0.053 0.000 1.380 266 H HN 0.410 nan 8.280 nan 0.000 0.513 267 T N 1.107 115.657 114.554 -0.006 0.000 2.812 267 T HA -0.053 3.871 4.350 -0.710 0.000 0.264 267 T C 2.441 177.070 174.700 -0.119 0.000 1.042 267 T CA 0.478 62.509 62.100 -0.116 0.000 1.140 267 T CB -0.195 68.606 68.868 -0.113 0.000 0.870 267 T HN 0.185 nan 8.240 nan 0.000 0.445 268 L N 0.469 121.642 121.223 -0.082 0.000 2.046 268 L HA -0.057 3.857 4.340 -0.710 0.000 0.208 268 L C 2.465 179.239 176.870 -0.160 0.000 1.077 268 L CA 1.209 55.973 54.840 -0.127 0.000 0.747 268 L CB -0.607 41.384 42.059 -0.112 0.000 0.896 268 L HN 0.251 nan 8.230 nan 0.000 0.432 269 L N -0.865 120.283 121.223 -0.124 0.000 2.056 269 L HA -0.227 3.687 4.340 -0.710 0.000 0.207 269 L C 2.546 179.324 176.870 -0.154 0.000 1.078 269 L CA 0.774 55.525 54.840 -0.148 0.000 0.749 269 L CB -0.424 41.560 42.059 -0.126 0.000 0.901 269 L HN 0.229 nan 8.230 nan 0.000 0.433 270 L N -0.145 120.986 121.223 -0.154 0.000 2.083 270 L HA -0.193 3.721 4.340 -0.710 0.000 0.209 270 L C 2.752 179.560 176.870 -0.104 0.000 1.083 270 L CA 1.645 56.393 54.840 -0.153 0.000 0.752 270 L CB -0.354 41.603 42.059 -0.170 0.000 0.899 270 L HN 0.076 nan 8.230 nan 0.000 0.433 271 R N -0.749 119.674 120.500 -0.130 0.000 2.075 271 R HA -0.196 3.718 4.340 -0.710 0.000 0.232 271 R C 2.212 178.446 176.300 -0.110 0.000 1.126 271 R CA 1.388 57.414 56.100 -0.122 0.000 0.963 271 R CB -0.333 29.872 30.300 -0.159 0.000 0.858 271 R HN 0.353 nan 8.270 nan 0.000 0.435 272 E N 0.205 120.313 120.200 -0.153 0.000 2.118 272 E HA -0.242 3.682 4.350 -0.710 0.000 0.195 272 E C 1.693 178.218 176.600 -0.127 0.000 0.992 272 E CA 1.793 58.075 56.400 -0.196 0.000 0.804 272 E CB -0.189 29.318 29.700 -0.322 0.000 0.741 272 E HN 0.459 nan 8.360 nan 0.000 0.458 273 H N -0.153 118.834 119.070 -0.138 0.000 2.267 273 H HA -0.106 4.024 4.556 -0.711 0.000 0.297 273 H C 1.673 176.971 175.328 -0.049 0.000 1.080 273 H CA 2.386 58.398 56.048 -0.061 0.000 1.278 273 H CB -0.153 29.613 29.762 0.007 0.000 1.365 273 H HN 0.157 nan 8.280 nan 0.000 0.489 274 N N 0.335 119.125 118.700 0.151 0.000 2.166 274 N HA -0.153 4.161 4.740 -0.710 0.000 0.186 274 N C 2.009 177.496 175.510 -0.037 0.000 1.019 274 N CA 1.133 54.233 53.050 0.084 0.000 0.856 274 N CB -0.422 38.116 38.487 0.086 0.000 0.993 274 N HN 0.403 nan 8.380 nan 0.000 0.426 275 R N 0.699 121.153 120.500 -0.076 0.000 2.096 275 R HA -0.004 3.909 4.340 -0.710 0.000 0.235 275 R C 1.993 178.208 176.300 -0.142 0.000 1.127 275 R CA 0.835 56.871 56.100 -0.108 0.000 0.968 275 R CB -0.206 30.015 30.300 -0.132 0.000 0.861 275 R HN 0.205 nan 8.270 nan 0.000 0.440 276 L N -0.058 121.051 121.223 -0.191 0.000 2.027 276 L HA -0.092 3.822 4.340 -0.710 0.000 0.206 276 L C 2.722 179.467 176.870 -0.208 0.000 1.074 276 L CA 1.265 55.962 54.840 -0.238 0.000 0.745 276 L CB -0.510 41.368 42.059 -0.301 0.000 0.898 276 L HN 0.257 nan 8.230 nan 0.000 0.433 277 A N 0.162 122.854 122.820 -0.215 0.000 1.902 277 A HA -0.207 3.687 4.320 -0.710 0.000 0.217 277 A C 2.380 179.930 177.584 -0.056 0.000 1.181 277 A CA 1.543 53.499 52.037 -0.135 0.000 0.623 277 A CB -0.489 18.435 19.000 -0.127 0.000 0.818 277 A HN 0.319 nan 8.150 nan 0.000 0.443 278 R N -0.676 119.791 120.500 -0.055 0.000 2.115 278 R HA -0.070 3.844 4.340 -0.710 0.000 0.230 278 R C 1.957 178.225 176.300 -0.053 0.000 1.111 278 R CA 1.138 57.216 56.100 -0.036 0.000 0.976 278 R CB -0.175 30.108 30.300 -0.029 0.000 0.870 278 R HN 0.492 nan 8.270 nan 0.000 0.445 279 E N 0.886 121.037 120.200 -0.082 0.000 2.072 279 E HA -0.111 3.813 4.350 -0.710 0.000 0.190 279 E C 2.062 178.603 176.600 -0.098 0.000 0.982 279 E CA 0.924 57.268 56.400 -0.093 0.000 0.803 279 E CB -0.040 29.587 29.700 -0.121 0.000 0.755 279 E HN 0.338 nan 8.360 nan 0.000 0.453 280 L N 0.695 121.860 121.223 -0.096 0.000 2.275 280 L HA -0.131 3.783 4.340 -0.710 0.000 0.215 280 L C 2.411 179.215 176.870 -0.110 0.000 1.119 280 L CA 0.755 55.541 54.840 -0.090 0.000 0.790 280 L CB -0.227 41.860 42.059 0.046 0.000 0.919 280 L HN 0.016 nan 8.230 nan 0.000 0.443 281 K N 0.743 121.115 120.400 -0.047 0.000 2.062 281 K HA -0.111 3.783 4.320 -0.710 0.000 0.205 281 K C 2.136 178.692 176.600 -0.074 0.000 1.051 281 K CA 1.244 57.509 56.287 -0.037 0.000 0.941 281 K CB 0.009 32.512 32.500 0.005 0.000 0.719 281 K HN 0.039 nan 8.250 nan 0.000 0.440 282 R N -0.048 120.411 120.500 -0.068 0.000 2.083 282 R HA -0.048 3.866 4.340 -0.710 0.000 0.237 282 R C 2.296 178.546 176.300 -0.085 0.000 1.137 282 R CA 1.855 57.918 56.100 -0.062 0.000 0.951 282 R CB -0.461 29.808 30.300 -0.052 0.000 0.851 282 R HN 0.166 nan 8.270 nan 0.000 0.434 283 L N 0.138 121.287 121.223 -0.124 0.000 2.156 283 L HA -0.072 3.842 4.340 -0.710 0.000 0.208 283 L C 0.275 177.007 176.870 -0.229 0.000 1.095 283 L CA 0.771 55.524 54.840 -0.145 0.000 0.770 283 L CB -0.065 41.911 42.059 -0.138 0.000 0.914 283 L HN 0.168 nan 8.230 nan 0.000 0.439 284 N N -0.488 117.979 118.700 -0.388 0.000 2.804 284 N HA 0.191 4.505 4.740 -0.710 0.000 0.251 284 N C -2.119 173.140 175.510 -0.418 0.000 1.250 284 N CA -0.959 51.707 53.050 -0.640 0.000 0.820 284 N CB 1.444 38.916 38.487 -1.692 0.000 1.156 284 N HN -0.096 nan 8.380 nan 0.000 0.512 285 P HA -0.095 nan 4.420 nan 0.000 0.223 285 P C 1.131 178.474 177.300 0.071 0.000 1.151 285 P CA 1.109 64.215 63.100 0.010 0.000 0.787 285 P CB 0.053 31.791 31.700 0.064 0.000 0.788 286 H N -4.006 115.089 119.070 0.042 0.000 2.551 286 H HA 0.020 4.150 4.556 -0.709 0.000 0.266 286 H C 0.012 175.502 175.328 0.269 0.000 0.977 286 H CA -0.234 55.889 56.048 0.124 0.000 1.163 286 H CB -0.858 28.970 29.762 0.109 0.000 1.381 286 H HN 0.068 nan 8.280 nan 0.000 0.581 287 W N 5.056 126.162 121.300 -0.324 0.000 2.303 287 W HA 0.101 4.335 4.660 -0.711 0.000 0.318 287 W C 0.602 177.085 176.519 -0.060 0.000 1.362 287 W CA -0.756 56.475 57.345 -0.191 0.000 1.234 287 W CB 0.352 29.691 29.460 -0.201 0.000 1.248 287 W HN 0.300 nan 8.180 nan 0.000 0.546 288 D N 0.770 121.248 120.400 0.130 0.000 2.398 288 D HA 0.126 4.339 4.640 -0.710 0.000 0.247 288 D C 1.414 177.742 176.300 0.046 0.000 1.227 288 D CA 0.035 54.077 54.000 0.070 0.000 0.980 288 D CB 0.345 41.166 40.800 0.034 0.000 1.106 288 D HN 0.467 nan 8.370 nan 0.000 0.493 289 G N -0.260 108.561 108.800 0.034 0.000 2.440 289 G HA2 -0.349 3.185 3.960 -0.710 0.000 0.218 289 G HA3 -0.349 3.185 3.960 -0.710 0.000 0.218 289 G C 1.363 176.273 174.900 0.017 0.000 1.154 289 G CA 1.202 46.322 45.100 0.033 0.000 0.767 289 G HN 0.631 nan 8.290 nan 0.000 0.552 290 E N -0.013 120.172 120.200 -0.025 0.000 2.077 290 E HA -0.090 3.833 4.350 -0.710 0.000 0.193 290 E C 2.395 178.929 176.600 -0.110 0.000 0.989 290 E CA 1.211 57.582 56.400 -0.048 0.000 0.800 290 E CB -0.344 29.319 29.700 -0.063 0.000 0.746 290 E HN 0.446 nan 8.360 nan 0.000 0.452 291 M N -0.535 118.949 119.600 -0.193 0.000 2.175 291 M HA -0.063 3.991 4.480 -0.710 0.000 0.264 291 M C 1.789 177.884 176.300 -0.341 0.000 1.063 291 M CA 1.152 56.210 55.300 -0.402 0.000 1.119 291 M CB 0.009 32.192 32.600 -0.696 0.000 1.377 291 M HN 0.186 nan 8.290 nan 0.000 0.415 292 L N -1.108 120.058 121.223 -0.095 0.000 2.046 292 L HA -0.237 3.677 4.340 -0.710 0.000 0.208 292 L C 2.482 179.344 176.870 -0.013 0.000 1.077 292 L CA 1.548 56.419 54.840 0.052 0.000 0.747 292 L CB -1.038 41.097 42.059 0.127 0.000 0.896 292 L HN 0.370 nan 8.230 nan 0.000 0.432 293 Y N 0.749 120.987 120.300 -0.103 0.000 2.089 293 Y HA -0.299 3.825 4.550 -0.711 0.000 0.282 293 Y C 2.830 178.606 175.900 -0.206 0.000 1.139 293 Y CA 1.658 59.724 58.100 -0.057 0.000 1.123 293 Y CB -0.295 38.137 38.460 -0.047 0.000 0.980 293 Y HN 0.122 nan 8.280 nan 0.000 0.493 294 Q N 0.355 119.878 119.800 -0.463 0.000 2.096 294 Q HA -0.193 3.721 4.340 -0.710 0.000 0.204 294 Q C 2.091 177.716 176.000 -0.625 0.000 0.982 294 Q CA 1.755 57.045 55.803 -0.855 0.000 0.850 294 Q CB -0.390 27.446 28.738 -1.504 0.000 0.901 294 Q HN 0.620 nan 8.270 nan 0.000 0.422 295 E N 0.405 120.381 120.200 -0.373 0.000 2.106 295 E HA -0.084 3.840 4.350 -0.710 0.000 0.192 295 E C 1.877 178.447 176.600 -0.050 0.000 0.984 295 E CA 1.016 57.400 56.400 -0.028 0.000 0.806 295 E CB -0.072 29.688 29.700 0.101 0.000 0.750 295 E HN 0.315 nan 8.360 nan 0.000 0.458 296 A N 1.414 124.109 122.820 -0.208 0.000 1.897 296 A HA -0.159 3.735 4.320 -0.710 0.000 0.215 296 A C 2.206 179.661 177.584 -0.215 0.000 1.181 296 A CA 1.476 53.339 52.037 -0.290 0.000 0.620 296 A CB -0.465 18.203 19.000 -0.554 0.000 0.821 296 A HN 0.135 nan 8.150 nan 0.000 0.443 297 R N -0.030 120.260 120.500 -0.349 0.000 2.105 297 R HA -0.187 3.727 4.340 -0.710 0.000 0.239 297 R C 2.202 178.388 176.300 -0.191 0.000 1.135 297 R CA 2.043 57.853 56.100 -0.482 0.000 0.967 297 R CB -0.255 29.354 30.300 -1.151 0.000 0.861 297 R HN 0.524 nan 8.270 nan 0.000 0.442 298 K N 0.278 120.617 120.400 -0.101 0.000 2.057 298 K HA -0.094 3.800 4.320 -0.710 0.000 0.206 298 K C 2.076 178.868 176.600 0.321 0.000 1.050 298 K CA 1.528 57.880 56.287 0.109 0.000 0.935 298 K CB -0.063 32.539 32.500 0.170 0.000 0.715 298 K HN 0.200 nan 8.250 nan 0.000 0.439 299 I N 0.943 121.671 120.570 0.263 0.000 2.179 299 I HA -0.286 3.458 4.170 -0.710 0.000 0.242 299 I C 2.266 178.459 176.117 0.128 0.000 1.088 299 I CA 0.681 62.096 61.300 0.191 0.000 1.357 299 I CB -0.188 37.750 38.000 -0.104 0.000 1.051 299 I HN 0.195 nan 8.210 nan 0.000 0.409 300 L N 1.052 122.334 121.223 0.099 0.000 2.093 300 L HA -0.056 3.858 4.340 -0.710 0.000 0.208 300 L C 2.321 179.352 176.870 0.268 0.000 1.085 300 L CA 1.975 56.902 54.840 0.144 0.000 0.755 300 L CB -1.168 40.982 42.059 0.152 0.000 0.904 300 L HN 0.194 nan 8.230 nan 0.000 0.435 301 G N -1.121 107.825 108.800 0.243 0.000 2.418 301 G HA2 -0.264 3.270 3.960 -0.710 0.000 0.217 301 G HA3 -0.264 3.270 3.960 -0.710 0.000 0.217 301 G C 1.602 176.626 174.900 0.207 0.000 1.158 301 G CA 0.788 46.031 45.100 0.238 0.000 0.771 301 G HN 0.593 nan 8.290 nan 0.000 0.545 302 A N 0.432 123.371 122.820 0.198 0.000 1.898 302 A HA 0.094 3.988 4.320 -0.710 0.000 0.216 302 A C 2.142 179.656 177.584 -0.117 0.000 1.181 302 A CA 1.506 53.560 52.037 0.028 0.000 0.620 302 A CB -0.584 18.456 19.000 0.066 0.000 0.819 302 A HN 0.425 nan 8.150 nan 0.000 0.442 303 F N 1.007 120.890 119.950 -0.111 0.000 2.063 303 F HA -0.261 3.836 4.527 -0.717 0.000 0.298 303 F C 1.950 177.780 175.800 0.049 0.000 1.109 303 F CA 2.237 60.186 58.000 -0.085 0.000 1.212 303 F CB -0.279 38.706 39.000 -0.026 0.000 0.973 303 F HN 0.200 nan 8.300 nan 0.000 0.480 304 I N 0.081 120.854 120.570 0.338 0.000 2.361 304 I HA -0.317 3.427 4.170 -0.710 0.000 0.251 304 I C 2.346 178.649 176.117 0.310 0.000 1.133 304 I CA 1.446 63.009 61.300 0.437 0.000 1.413 304 I CB -0.663 37.600 38.000 0.438 0.000 1.073 304 I HN 0.360 nan 8.210 nan 0.000 0.424 305 Q N 0.583 120.455 119.800 0.121 0.000 2.049 305 Q HA -0.131 3.783 4.340 -0.710 0.000 0.198 305 Q C 2.394 178.395 176.000 0.002 0.000 0.971 305 Q CA 1.379 57.220 55.803 0.064 0.000 0.833 305 Q CB -0.051 28.483 28.738 -0.339 0.000 0.896 305 Q HN 0.506 nan 8.270 nan 0.000 0.434 306 I N 0.624 120.981 120.570 -0.355 0.000 2.179 306 I HA -0.267 3.477 4.170 -0.710 0.000 0.242 306 I C 2.027 178.048 176.117 -0.160 0.000 1.088 306 I CA 0.796 61.855 61.300 -0.402 0.000 1.357 306 I CB -0.233 37.317 38.000 -0.749 0.000 1.051 306 I HN 0.215 nan 8.210 nan 0.000 0.409 307 I N 0.479 120.898 120.570 -0.251 0.000 2.226 307 I HA -0.224 3.520 4.170 -0.710 0.000 0.245 307 I C 2.570 178.658 176.117 -0.048 0.000 1.100 307 I CA 1.730 62.870 61.300 -0.266 0.000 1.374 307 I CB -1.742 35.881 38.000 -0.629 0.000 1.057 307 I HN 0.256 nan 8.210 nan 0.000 0.413 308 T N 0.826 115.540 114.554 0.266 0.000 2.737 308 T HA -0.114 3.810 4.350 -0.710 0.000 0.265 308 T C 1.749 176.593 174.700 0.239 0.000 1.038 308 T CA 1.428 63.777 62.100 0.414 0.000 1.144 308 T CB -0.308 68.918 68.868 0.597 0.000 0.866 308 T HN 0.089 nan 8.240 nan 0.000 0.434 309 F N 0.606 120.671 119.950 0.192 0.000 2.473 309 F HA 0.303 4.404 4.527 -0.710 0.000 0.294 309 F C 2.483 178.365 175.800 0.137 0.000 1.103 309 F CA 0.218 58.343 58.000 0.209 0.000 1.442 309 F CB -0.081 39.177 39.000 0.430 0.000 1.097 309 F HN -0.064 nan 8.300 nan 0.000 0.547 310 R N -0.013 120.636 120.500 0.248 0.000 2.075 310 R HA -0.040 3.874 4.340 -0.710 0.000 0.220 310 R C 1.140 177.461 176.300 0.035 0.000 1.118 310 R CA 1.501 57.684 56.100 0.138 0.000 0.986 310 R CB -0.015 30.348 30.300 0.105 0.000 0.884 310 R HN 0.083 nan 8.270 nan 0.000 0.439 311 D N -1.159 119.218 120.400 -0.039 0.000 2.379 311 D HA -0.048 4.166 4.640 -0.710 0.000 0.218 311 D C 1.198 177.291 176.300 -0.344 0.000 1.006 311 D CA 0.598 54.518 54.000 -0.133 0.000 0.893 311 D CB 0.029 40.787 40.800 -0.071 0.000 1.019 311 D HN 0.180 nan 8.370 nan 0.000 0.503 312 Y N 1.397 121.384 120.300 -0.521 0.000 2.239 312 Y HA 0.152 4.290 4.550 -0.686 0.000 0.293 312 Y C 2.090 177.879 175.900 -0.186 0.000 1.126 312 Y CA 0.794 58.588 58.100 -0.510 0.000 1.128 312 Y CB -0.377 37.836 38.460 -0.411 0.000 1.066 312 Y HN -0.230 nan 8.280 nan 0.000 0.516 313 L N 0.620 121.675 121.223 -0.281 0.000 2.042 313 L HA -0.152 3.761 4.340 -0.710 0.000 0.210 313 L C -0.581 176.118 176.870 -0.286 0.000 1.076 313 L CA 1.442 56.032 54.840 -0.417 0.000 0.749 313 L CB -1.716 40.023 42.059 -0.533 0.000 0.893 313 L HN 0.226 nan 8.230 nan 0.000 0.432 314 P HA -0.194 nan 4.420 nan 0.000 0.217 314 P C 1.583 178.805 177.300 -0.130 0.000 1.148 314 P CA 1.525 64.556 63.100 -0.114 0.000 0.828 314 P CB -0.126 31.534 31.700 -0.067 0.000 0.783 315 I N -5.596 114.874 120.570 -0.166 0.000 3.684 315 I HA 0.035 3.779 4.170 -0.710 0.000 0.304 315 I C 1.343 177.375 176.117 -0.141 0.000 1.278 315 I CA 0.408 61.606 61.300 -0.170 0.000 1.272 315 I CB -0.267 37.609 38.000 -0.206 0.000 1.029 315 I HN -0.238 nan 8.210 nan 0.000 0.458 316 V N 1.201 121.024 119.914 -0.152 0.000 2.436 316 V HA 0.008 3.702 4.120 -0.710 0.000 0.240 316 V C 2.260 178.262 176.094 -0.153 0.000 1.040 316 V CA 1.191 63.420 62.300 -0.119 0.000 1.052 316 V CB -0.073 31.547 31.823 -0.338 0.000 0.707 316 V HN 0.388 nan 8.190 nan 0.000 0.469 317 L N -0.337 120.795 121.223 -0.152 0.000 2.270 317 L HA 0.319 4.233 4.340 -0.710 0.000 0.210 317 L C 1.810 178.657 176.870 -0.038 0.000 1.104 317 L CA 0.908 55.699 54.840 -0.082 0.000 0.804 317 L CB -0.819 41.218 42.059 -0.037 0.000 0.937 317 L HN 0.562 nan 8.230 nan 0.000 0.450 318 G N 1.108 109.874 108.800 -0.057 0.000 2.596 318 G HA2 -0.444 3.090 3.960 -0.710 0.000 0.304 318 G HA3 -0.444 3.090 3.960 -0.710 0.000 0.304 318 G C 0.990 175.879 174.900 -0.018 0.000 1.189 318 G CA 0.787 45.861 45.100 -0.044 0.000 0.986 318 G HN 0.397 nan 8.290 nan 0.000 0.548 319 S N 0.472 116.166 115.700 -0.010 0.000 2.515 319 S HA 0.083 4.127 4.470 -0.710 0.000 0.231 319 S C 1.592 176.198 174.600 0.010 0.000 0.987 319 S CA 1.862 60.059 58.200 -0.005 0.000 0.936 319 S CB 0.107 63.301 63.200 -0.009 0.000 0.766 319 S HN 0.593 nan 8.310 nan 0.000 0.528 320 E N 0.841 121.072 120.200 0.052 0.000 2.442 320 E HA 0.138 4.062 4.350 -0.710 0.000 0.195 320 E C 1.581 178.280 176.600 0.165 0.000 1.030 320 E CA 0.261 56.739 56.400 0.129 0.000 0.869 320 E CB -0.386 29.479 29.700 0.275 0.000 0.857 320 E HN 0.587 nan 8.360 nan 0.000 0.505 321 M N 2.053 121.710 119.600 0.095 0.000 2.088 321 M HA -0.295 3.759 4.480 -0.710 0.000 0.256 321 M C 2.190 178.539 176.300 0.081 0.000 1.071 321 M CA 2.155 57.506 55.300 0.084 0.000 1.097 321 M CB -0.353 32.260 32.600 0.022 0.000 1.315 321 M HN 0.069 nan 8.290 nan 0.000 0.406 322 Q N -0.771 119.045 119.800 0.027 0.000 2.224 322 Q HA -0.199 3.715 4.340 -0.710 0.000 0.203 322 Q C 2.115 178.080 176.000 -0.058 0.000 0.970 322 Q CA 1.697 57.501 55.803 0.002 0.000 0.865 322 Q CB -0.729 28.000 28.738 -0.014 0.000 0.922 322 Q HN 0.664 nan 8.270 nan 0.000 0.445 323 K N 0.176 120.489 120.400 -0.146 0.000 2.097 323 K HA -0.126 3.768 4.320 -0.710 0.000 0.205 323 K C 1.075 177.396 176.600 -0.465 0.000 1.050 323 K CA 1.501 57.554 56.287 -0.390 0.000 0.938 323 K CB -0.021 32.113 32.500 -0.609 0.000 0.718 323 K HN 0.404 nan 8.250 nan 0.000 0.442 324 W N 0.198 121.505 121.300 0.011 0.000 2.735 324 W HA 0.285 4.523 4.660 -0.703 0.000 0.264 324 W C 0.314 176.860 176.519 0.045 0.000 1.233 324 W CA -0.420 56.939 57.345 0.022 0.000 1.408 324 W CB 0.636 30.118 29.460 0.036 0.000 1.038 324 W HN -0.178 nan 8.180 nan 0.000 0.603 325 I N 1.735 122.454 120.570 0.247 0.000 2.621 325 I HA 0.260 4.004 4.170 -0.710 0.000 0.276 325 I C -2.413 173.795 176.117 0.151 0.000 1.118 325 I CA -1.917 59.510 61.300 0.211 0.000 1.159 325 I CB 0.425 38.565 38.000 0.233 0.000 1.357 325 I HN -0.452 nan 8.210 nan 0.000 0.513 326 P HA 0.305 nan 4.420 nan 0.000 0.274 326 P C -2.403 174.961 177.300 0.107 0.000 1.256 326 P CA -1.215 61.929 63.100 0.073 0.000 0.795 326 P CB -0.322 31.395 31.700 0.030 0.000 1.038 327 P HA -0.041 nan 4.420 nan 0.000 0.266 327 P C -0.737 176.643 177.300 0.133 0.000 1.193 327 P CA 0.204 63.379 63.100 0.124 0.000 0.770 327 P CB -0.022 31.728 31.700 0.082 0.000 0.836 328 Y N 2.313 122.630 120.300 0.027 0.000 2.544 328 Y HA 0.010 4.135 4.550 -0.708 0.000 0.330 328 Y C 1.130 177.016 175.900 -0.023 0.000 1.136 328 Y CA 0.748 58.836 58.100 -0.021 0.000 1.417 328 Y CB 0.422 38.871 38.460 -0.018 0.000 1.229 328 Y HN 0.407 nan 8.280 nan 0.000 0.532 329 Q N 4.305 123.781 119.800 -0.541 0.000 2.139 329 Q HA 0.344 4.258 4.340 -0.710 0.000 0.219 329 Q C 0.110 175.751 176.000 -0.599 0.000 0.805 329 Q CA 0.186 55.725 55.803 -0.440 0.000 1.024 329 Q CB 0.770 29.371 28.738 -0.227 0.000 1.163 329 Q HN 1.060 nan 8.270 nan 0.000 0.485 330 G N 0.918 108.980 108.800 -1.231 0.000 2.619 330 G HA2 -0.273 3.261 3.960 -0.710 0.000 0.686 330 G HA3 -0.273 3.261 3.960 -0.710 0.000 0.686 330 G C -1.336 173.372 174.900 -0.321 0.000 1.256 330 G CA -0.996 43.673 45.100 -0.719 0.000 0.826 330 G HN 0.188 nan 8.290 nan 0.000 0.619 331 Y N 1.920 122.150 120.300 -0.117 0.000 2.605 331 Y HA 0.463 4.586 4.550 -0.712 0.000 0.336 331 Y C 0.457 176.331 175.900 -0.043 0.000 1.111 331 Y CA -0.443 57.654 58.100 -0.005 0.000 1.422 331 Y CB 0.625 39.103 38.460 0.030 0.000 1.193 331 Y HN 0.615 nan 8.280 nan 0.000 0.526 332 N N 5.997 124.459 118.700 -0.398 0.000 2.501 332 N HA 0.054 4.368 4.740 -0.710 0.000 0.245 332 N C 0.119 175.244 175.510 -0.641 0.000 0.974 332 N CA -0.393 52.389 53.050 -0.447 0.000 0.941 332 N CB 0.341 38.705 38.487 -0.206 0.000 1.122 332 N HN 0.863 nan 8.380 nan 0.000 0.507 333 N N 1.586 119.823 118.700 -0.772 0.000 2.461 333 N HA -0.028 4.285 4.740 -0.710 0.000 0.188 333 N C 0.040 175.451 175.510 -0.165 0.000 1.134 333 N CA 0.018 52.756 53.050 -0.521 0.000 0.878 333 N CB 0.219 38.479 38.487 -0.379 0.000 0.972 333 N HN 0.169 nan 8.380 nan 0.000 0.456 334 S N 0.120 115.731 115.700 -0.148 0.000 2.575 334 S HA 0.156 4.200 4.470 -0.710 0.000 0.215 334 S C 0.551 175.134 174.600 -0.028 0.000 0.966 334 S CA -0.418 57.745 58.200 -0.063 0.000 0.911 334 S CB 0.405 63.566 63.200 -0.064 0.000 0.780 334 S HN 0.095 nan 8.310 nan 0.000 0.514 335 V N 2.984 122.880 119.914 -0.031 0.000 2.498 335 V HA 0.210 3.904 4.120 -0.710 0.000 0.279 335 V C 0.009 176.150 176.094 0.079 0.000 1.048 335 V CA -0.862 61.450 62.300 0.019 0.000 0.967 335 V CB 1.267 33.100 31.823 0.018 0.000 0.988 335 V HN 0.149 nan 8.190 nan 0.000 0.473 336 D N 7.642 128.096 120.400 0.090 0.000 2.338 336 D HA 0.200 4.414 4.640 -0.710 0.000 0.255 336 D C -1.457 174.926 176.300 0.138 0.000 1.237 336 D CA -1.831 52.244 54.000 0.125 0.000 0.883 336 D CB 1.676 42.561 40.800 0.141 0.000 1.087 336 D HN 0.284 nan 8.370 nan 0.000 0.485 337 P HA 0.051 nan 4.420 nan 0.000 0.255 337 P C 0.138 177.419 177.300 -0.031 0.000 1.248 337 P CA -0.068 63.095 63.100 0.105 0.000 0.807 337 P CB 0.402 32.239 31.700 0.229 0.000 1.150 338 R N 0.652 121.158 120.500 0.009 0.000 2.570 338 R HA 0.149 4.063 4.340 -0.710 0.000 0.277 338 R C 0.531 176.812 176.300 -0.031 0.000 1.039 338 R CA -0.334 55.751 56.100 -0.025 0.000 1.065 338 R CB 0.307 30.634 30.300 0.044 0.000 0.964 338 R HN 0.050 nan 8.270 nan 0.000 0.428 339 I N 2.994 123.512 120.570 -0.086 0.000 2.471 339 I HA -0.041 3.703 4.170 -0.710 0.000 0.286 339 I C 1.094 177.131 176.117 -0.133 0.000 1.079 339 I CA 0.385 61.611 61.300 -0.123 0.000 1.398 339 I CB 0.567 38.543 38.000 -0.039 0.000 1.403 339 I HN 0.678 nan 8.210 nan 0.000 0.530 340 S N 5.371 120.875 115.700 -0.326 0.000 2.603 340 S HA 0.139 4.183 4.470 -0.710 0.000 0.268 340 S C 1.111 175.531 174.600 -0.300 0.000 1.317 340 S CA -0.594 57.281 58.200 -0.543 0.000 1.012 340 S CB 1.361 63.582 63.200 -1.631 0.000 0.926 340 S HN 0.625 nan 8.310 nan 0.000 0.539 341 N N 0.670 119.259 118.700 -0.185 0.000 2.069 341 N HA -0.132 4.182 4.740 -0.710 0.000 0.191 341 N C 1.668 177.199 175.510 0.035 0.000 1.031 341 N CA 1.453 54.525 53.050 0.035 0.000 0.852 341 N CB -0.740 37.854 38.487 0.179 0.000 1.018 341 N HN 0.545 nan 8.380 nan 0.000 0.423 342 V N 0.589 120.391 119.914 -0.187 0.000 2.594 342 V HA -0.172 3.522 4.120 -0.710 0.000 0.253 342 V C 2.008 177.986 176.094 -0.193 0.000 1.069 342 V CA 1.283 63.411 62.300 -0.287 0.000 1.082 342 V CB -0.734 30.517 31.823 -0.954 0.000 0.680 342 V HN 0.259 nan 8.190 nan 0.000 0.469 343 F N 1.854 121.555 119.950 -0.414 0.000 2.216 343 F HA -0.164 3.950 4.527 -0.687 0.000 0.300 343 F C 2.577 178.299 175.800 -0.130 0.000 1.085 343 F CA 2.144 59.973 58.000 -0.286 0.000 1.326 343 F CB -0.676 38.113 39.000 -0.352 0.000 1.027 343 F HN 0.391 nan 8.300 nan 0.000 0.497 344 T N -2.619 111.813 114.554 -0.203 0.000 3.007 344 T HA -0.153 3.771 4.350 -0.710 0.000 0.270 344 T C 1.614 175.962 174.700 -0.588 0.000 1.107 344 T CA 1.329 63.185 62.100 -0.406 0.000 1.118 344 T CB -0.909 67.680 68.868 -0.465 0.000 0.889 344 T HN 0.287 nan 8.240 nan 0.000 0.506 345 F N 0.696 120.562 119.950 -0.141 0.000 2.653 345 F HA 0.598 4.714 4.527 -0.685 0.000 0.288 345 F C 2.706 178.540 175.800 0.057 0.000 1.121 345 F CA -0.094 57.888 58.000 -0.029 0.000 1.384 345 F CB -0.372 38.612 39.000 -0.027 0.000 1.115 345 F HN 0.192 nan 8.300 nan 0.000 0.599 346 A N 0.229 123.096 122.820 0.078 0.000 1.873 346 A HA -0.193 3.701 4.320 -0.710 0.000 0.215 346 A C 1.972 179.666 177.584 0.184 0.000 1.186 346 A CA 1.285 53.359 52.037 0.062 0.000 0.616 346 A CB -1.139 17.833 19.000 -0.047 0.000 0.823 346 A HN 0.319 nan 8.150 nan 0.000 0.442 347 F N 0.837 120.640 119.950 -0.244 0.000 2.333 347 F HA -0.021 4.351 4.527 -0.259 0.000 0.300 347 F C 1.988 177.590 175.800 -0.331 0.000 1.083 347 F CA 0.642 58.497 58.000 -0.241 0.000 1.395 347 F CB -0.423 38.183 39.000 -0.657 0.000 1.056 347 F HN 0.185 nan 8.300 nan 0.000 0.529 348 R N -0.010 120.490 120.500 -0.000 0.000 2.366 348 R HA -0.143 3.771 4.340 -0.710 0.000 0.201 348 R C 1.837 178.184 176.300 0.079 0.000 1.057 348 R CA 0.601 56.617 56.100 -0.140 0.000 1.086 348 R CB -0.968 29.401 30.300 0.115 0.000 0.914 348 R HN 0.433 nan 8.270 nan 0.000 0.476 349 F N -1.903 118.122 119.950 0.125 0.000 2.333 349 F HA 0.057 4.201 4.527 -0.638 0.000 0.300 349 F C 1.833 177.696 175.800 0.106 0.000 1.083 349 F CA 0.850 58.907 58.000 0.096 0.000 1.395 349 F CB -0.665 38.381 39.000 0.077 0.000 1.056 349 F HN -0.139 nan 8.300 nan 0.000 0.529 350 G N -0.762 107.633 108.800 -0.675 0.000 2.650 350 G HA2 -0.127 3.407 3.960 -0.710 0.000 0.214 350 G HA3 -0.127 3.407 3.960 -0.710 0.000 0.214 350 G C 1.103 175.958 174.900 -0.076 0.000 1.136 350 G CA 0.517 45.336 45.100 -0.468 0.000 0.789 350 G HN 0.596 nan 8.290 nan 0.000 0.536 351 H N -0.282 118.814 119.070 0.043 0.000 2.521 351 H HA 0.119 4.259 4.556 -0.693 0.000 0.286 351 H C 2.262 177.711 175.328 0.202 0.000 1.034 351 H CA 0.572 56.704 56.048 0.140 0.000 1.278 351 H CB 0.109 30.006 29.762 0.226 0.000 1.386 351 H HN 0.339 nan 8.280 nan 0.000 0.567 352 M N -0.257 119.532 119.600 0.314 0.000 2.495 352 M HA 0.009 4.063 4.480 -0.710 0.000 0.237 352 M C 0.850 177.288 176.300 0.231 0.000 1.131 352 M CA 0.733 56.192 55.300 0.265 0.000 1.032 352 M CB 0.478 33.203 32.600 0.209 0.000 1.513 352 M HN 0.250 nan 8.290 nan 0.000 0.488 353 E N 0.335 120.666 120.200 0.219 0.000 2.474 353 E HA 0.095 4.019 4.350 -0.710 0.000 0.195 353 E C -0.099 176.620 176.600 0.198 0.000 1.039 353 E CA -0.090 56.442 56.400 0.221 0.000 0.881 353 E CB 0.738 30.577 29.700 0.231 0.000 0.970 353 E HN 0.162 nan 8.360 nan 0.000 0.486 354 V N 4.604 124.636 119.914 0.197 0.000 2.408 354 V HA 0.136 3.830 4.120 -0.710 0.000 0.267 354 V C -1.856 174.353 176.094 0.190 0.000 1.047 354 V CA -1.472 60.938 62.300 0.184 0.000 0.937 354 V CB 0.528 32.468 31.823 0.195 0.000 0.999 354 V HN 0.059 nan 8.190 nan 0.000 0.472 355 P HA 0.211 nan 4.420 nan 0.000 0.279 355 P C 0.643 178.027 177.300 0.139 0.000 1.276 355 P CA -0.452 62.743 63.100 0.159 0.000 0.801 355 P CB 1.059 32.840 31.700 0.135 0.000 1.127 356 S N -1.776 114.002 115.700 0.129 0.000 2.496 356 S HA 0.053 4.097 4.470 -0.710 0.000 0.224 356 S C 0.860 175.499 174.600 0.065 0.000 0.996 356 S CA 0.574 58.836 58.200 0.102 0.000 0.927 356 S CB -1.015 62.244 63.200 0.098 0.000 0.774 356 S HN 0.749 nan 8.310 nan 0.000 0.524 357 T N -1.125 113.463 114.554 0.057 0.000 2.906 357 T HA 0.730 4.654 4.350 -0.710 0.000 0.295 357 T C -1.080 173.632 174.700 0.019 0.000 1.075 357 T CA -0.791 61.324 62.100 0.025 0.000 1.005 357 T CB 1.936 70.823 68.868 0.030 0.000 1.136 357 T HN -0.001 nan 8.240 nan 0.000 0.498 358 V N 2.235 122.142 119.914 -0.011 0.000 2.483 358 V HA 0.579 4.273 4.120 -0.710 0.000 0.297 358 V C 0.022 176.109 176.094 -0.011 0.000 1.027 358 V CA -0.702 61.591 62.300 -0.011 0.000 0.855 358 V CB 1.785 33.583 31.823 -0.042 0.000 0.995 358 V HN 1.118 nan 8.190 nan 0.000 0.424 359 S N 4.599 120.304 115.700 0.008 0.000 2.617 359 S HA 0.637 4.681 4.470 -0.710 0.000 0.283 359 S C -0.226 174.370 174.600 -0.006 0.000 1.189 359 S CA -0.799 57.410 58.200 0.015 0.000 1.036 359 S CB 1.137 64.359 63.200 0.036 0.000 1.014 359 S HN 0.635 nan 8.310 nan 0.000 0.522 360 R N 1.786 122.294 120.500 0.012 0.000 2.393 360 R HA 0.518 4.432 4.340 -0.710 0.000 0.315 360 R C -1.112 175.197 176.300 0.014 0.000 0.952 360 R CA -0.413 55.667 56.100 -0.034 0.000 0.842 360 R CB 0.942 31.230 30.300 -0.019 0.000 1.163 360 R HN 0.470 nan 8.270 nan 0.000 0.450 361 L N 2.388 123.543 121.223 -0.113 0.000 2.330 361 L HA 0.418 4.332 4.340 -0.710 0.000 0.271 361 L C 0.169 176.909 176.870 -0.217 0.000 1.013 361 L CA -1.045 53.719 54.840 -0.127 0.000 0.816 361 L CB 1.571 43.497 42.059 -0.222 0.000 1.287 361 L HN 0.634 nan 8.230 nan 0.000 0.435 362 D N -0.477 119.869 120.400 -0.090 0.000 2.511 362 D HA 0.087 4.301 4.640 -0.710 0.000 0.276 362 D C 0.604 176.760 176.300 -0.241 0.000 1.220 362 D CA -0.513 53.466 54.000 -0.035 0.000 1.077 362 D CB 0.468 41.412 40.800 0.240 0.000 1.126 362 D HN 0.491 nan 8.370 nan 0.000 0.583 363 E N -0.869 119.253 120.200 -0.130 0.000 2.265 363 E HA -0.163 3.761 4.350 -0.710 0.000 0.196 363 E C 0.493 177.015 176.600 -0.130 0.000 0.996 363 E CA 0.969 57.285 56.400 -0.141 0.000 0.832 363 E CB -0.508 29.162 29.700 -0.050 0.000 0.756 363 E HN 0.459 nan 8.360 nan 0.000 0.491 364 N N -0.440 118.187 118.700 -0.123 0.000 2.276 364 N HA 0.070 4.384 4.740 -0.710 0.000 0.212 364 N C -0.765 174.551 175.510 -0.323 0.000 1.127 364 N CA -0.145 52.830 53.050 -0.125 0.000 0.834 364 N CB 0.176 38.671 38.487 0.013 0.000 1.014 364 N HN 0.103 nan 8.380 nan 0.000 0.491 365 Y N -0.537 119.440 120.300 -0.538 0.000 4.604 365 Y HA -0.301 3.822 4.550 -0.712 0.000 0.230 365 Y C 0.153 175.901 175.900 -0.254 0.000 1.066 365 Y CA 0.421 58.204 58.100 -0.527 0.000 1.990 365 Y CB -1.439 36.421 38.460 -1.001 0.000 1.619 365 Y HN 0.275 nan 8.280 nan 0.000 0.649 366 Q N 0.277 120.036 119.800 -0.068 0.000 2.221 366 Q HA 0.371 4.285 4.340 -0.710 0.000 0.242 366 Q C -2.110 173.904 176.000 0.024 0.000 0.940 366 Q CA -2.109 53.695 55.803 0.002 0.000 0.896 366 Q CB 0.504 29.252 28.738 0.016 0.000 1.226 366 Q HN -0.054 nan 8.270 nan 0.000 0.463 367 P HA -0.125 nan 4.420 nan 0.000 0.261 367 P C -0.834 176.533 177.300 0.112 0.000 1.173 367 P CA 0.470 63.612 63.100 0.071 0.000 0.760 367 P CB 0.198 31.925 31.700 0.046 0.000 0.783 368 W N 5.828 127.095 121.300 -0.055 0.000 2.292 368 W HA 0.493 4.729 4.660 -0.707 0.000 0.352 368 W C 0.470 176.970 176.519 -0.033 0.000 0.962 368 W CA 1.010 58.324 57.345 -0.052 0.000 1.496 368 W CB -0.114 29.306 29.460 -0.066 0.000 1.381 368 W HN 0.804 nan 8.180 nan 0.000 0.363 369 G N 5.573 114.200 108.800 -0.289 0.000 2.710 369 G HA2 -0.242 3.292 3.960 -0.710 0.000 0.668 369 G HA3 -0.242 3.292 3.960 -0.710 0.000 0.668 369 G C -1.453 173.367 174.900 -0.134 0.000 1.320 369 G CA -0.455 44.449 45.100 -0.326 0.000 0.860 369 G HN 0.308 nan 8.290 nan 0.000 0.538 370 P HA 0.061 nan 4.420 nan 0.000 0.221 370 P C 0.656 177.940 177.300 -0.027 0.000 1.150 370 P CA 1.432 64.496 63.100 -0.060 0.000 0.800 370 P CB 0.150 31.814 31.700 -0.059 0.000 0.787 371 E N -0.580 119.609 120.200 -0.019 0.000 2.939 371 E HA 0.375 4.299 4.350 -0.710 0.000 0.215 371 E C 1.186 177.814 176.600 0.047 0.000 1.025 371 E CA -0.364 56.044 56.400 0.013 0.000 1.259 371 E CB 0.374 30.087 29.700 0.021 0.000 1.228 371 E HN 0.083 nan 8.360 nan 0.000 0.443 372 A N 1.392 124.246 122.820 0.057 0.000 1.877 372 A HA -0.171 3.723 4.320 -0.710 0.000 0.216 372 A C 1.257 178.880 177.584 0.066 0.000 1.186 372 A CA 1.059 53.159 52.037 0.105 0.000 0.620 372 A CB 0.022 19.080 19.000 0.097 0.000 0.822 372 A HN 0.301 nan 8.150 nan 0.000 0.443 373 E N 0.061 120.282 120.200 0.036 0.000 2.134 373 E HA 0.542 4.466 4.350 -0.710 0.000 0.278 373 E C -1.427 175.170 176.600 -0.005 0.000 0.959 373 E CA -0.356 56.055 56.400 0.018 0.000 0.783 373 E CB 0.492 30.207 29.700 0.025 0.000 1.095 373 E HN 0.413 nan 8.360 nan 0.000 0.399 374 L N 5.768 126.972 121.223 -0.032 0.000 2.346 374 L HA 0.502 4.416 4.340 -0.710 0.000 0.274 374 L C -2.275 174.539 176.870 -0.093 0.000 1.007 374 L CA -2.618 52.178 54.840 -0.074 0.000 0.818 374 L CB 1.830 43.819 42.059 -0.117 0.000 1.284 374 L HN 0.452 nan 8.230 nan 0.000 0.424 375 P HA 0.020 nan 4.420 nan 0.000 0.268 375 P C 0.501 177.658 177.300 -0.239 0.000 1.204 375 P CA -0.282 62.748 63.100 -0.117 0.000 0.768 375 P CB 0.837 32.480 31.700 -0.094 0.000 0.842 376 L N 4.344 125.472 121.223 -0.158 0.000 2.079 376 L HA -0.222 3.692 4.340 -0.710 0.000 0.210 376 L C 2.370 178.833 176.870 -0.677 0.000 1.081 376 L CA 1.810 56.481 54.840 -0.281 0.000 0.752 376 L CB -1.064 40.940 42.059 -0.091 0.000 0.896 376 L HN 0.541 nan 8.230 nan 0.000 0.433 377 H N -1.942 116.832 119.070 -0.493 0.000 2.456 377 H HA -0.103 4.025 4.556 -0.712 0.000 0.296 377 H C 1.736 176.798 175.328 -0.443 0.000 1.079 377 H CA 1.548 57.281 56.048 -0.526 0.000 1.322 377 H CB -0.959 28.788 29.762 -0.024 0.000 1.388 377 H HN 0.521 nan 8.280 nan 0.000 0.538 378 T N -1.034 112.950 114.554 -0.950 0.000 3.118 378 T HA 0.109 4.033 4.350 -0.710 0.000 0.260 378 T C 1.697 176.169 174.700 -0.379 0.000 1.139 378 T CA 0.241 61.958 62.100 -0.637 0.000 1.085 378 T CB -0.341 68.196 68.868 -0.552 0.000 0.934 378 T HN 0.344 nan 8.240 nan 0.000 0.518 379 L N -0.327 120.614 121.223 -0.469 0.000 2.766 379 L HA 0.466 4.380 4.340 -0.710 0.000 0.242 379 L C -0.443 176.310 176.870 -0.194 0.000 1.136 379 L CA -0.669 53.971 54.840 -0.333 0.000 0.933 379 L CB 0.186 42.056 42.059 -0.313 0.000 1.241 379 L HN 0.134 nan 8.230 nan 0.000 0.522 380 F N 0.080 120.062 119.950 0.053 0.000 2.456 380 F HA 0.228 4.328 4.527 -0.711 0.000 0.358 380 F C 0.743 176.623 175.800 0.134 0.000 1.095 380 F CA -0.966 57.087 58.000 0.088 0.000 1.216 380 F CB -0.335 38.846 39.000 0.302 0.000 1.125 380 F HN -0.058 nan 8.300 nan 0.000 0.549 381 F N 0.688 120.753 119.950 0.191 0.000 3.090 381 F HA -0.317 3.791 4.527 -0.697 0.000 0.282 381 F C 0.515 176.310 175.800 -0.009 0.000 0.923 381 F CA 0.209 58.251 58.000 0.070 0.000 0.977 381 F CB -1.177 37.884 39.000 0.101 0.000 0.954 381 F HN 0.489 nan 8.300 nan 0.000 0.695 382 N N 0.723 119.440 118.700 0.027 0.000 2.609 382 N HA 0.231 4.545 4.740 -0.710 0.000 0.234 382 N C 0.949 176.348 175.510 -0.184 0.000 1.001 382 N CA 0.592 53.591 53.050 -0.084 0.000 0.926 382 N CB 0.994 39.355 38.487 -0.210 0.000 1.130 382 N HN 0.277 nan 8.380 nan 0.000 0.510 383 T N -0.452 114.003 114.554 -0.166 0.000 3.037 383 T HA 0.003 3.927 4.350 -0.710 0.000 0.252 383 T C 1.827 176.415 174.700 -0.186 0.000 1.073 383 T CA -0.262 61.657 62.100 -0.301 0.000 1.091 383 T CB -0.302 68.240 68.868 -0.544 0.000 0.935 383 T HN 0.633 nan 8.240 nan 0.000 0.488 384 W N 2.281 123.493 121.300 -0.146 0.000 2.425 384 W HA 0.081 4.317 4.660 -0.707 0.000 0.277 384 W C 1.445 177.932 176.519 -0.055 0.000 1.231 384 W CA -0.023 57.262 57.345 -0.100 0.000 1.248 384 W CB -0.638 28.762 29.460 -0.100 0.000 1.117 384 W HN 0.079 nan 8.180 nan 0.000 0.568 385 R N 0.952 120.942 120.500 -0.851 0.000 2.148 385 R HA -0.003 3.911 4.340 -0.710 0.000 0.223 385 R C 2.099 178.221 176.300 -0.297 0.000 1.088 385 R CA 1.003 56.635 56.100 -0.780 0.000 0.985 385 R CB -0.561 29.210 30.300 -0.882 0.000 0.880 385 R HN 0.386 nan 8.270 nan 0.000 0.451 386 I N 0.111 120.560 120.570 -0.201 0.000 2.162 386 I HA -0.221 3.523 4.170 -0.710 0.000 0.238 386 I C 2.196 178.310 176.117 -0.004 0.000 1.076 386 I CA 1.200 62.462 61.300 -0.064 0.000 1.353 386 I CB -0.196 37.808 38.000 0.008 0.000 1.063 386 I HN -0.018 nan 8.210 nan 0.000 0.408 387 I N 0.431 120.975 120.570 -0.043 0.000 2.286 387 I HA -0.223 3.521 4.170 -0.710 0.000 0.245 387 I C 1.972 178.167 176.117 0.129 0.000 1.104 387 I CA 1.453 62.756 61.300 0.004 0.000 1.397 387 I CB -0.134 37.858 38.000 -0.012 0.000 1.072 387 I HN 0.107 nan 8.210 nan 0.000 0.417 388 K N -0.470 120.030 120.400 0.167 0.000 2.374 388 K HA 0.068 3.962 4.320 -0.710 0.000 0.196 388 K C -0.172 176.575 176.600 0.244 0.000 1.023 388 K CA 0.296 56.722 56.287 0.231 0.000 1.103 388 K CB 0.368 33.060 32.500 0.319 0.000 0.848 388 K HN 0.053 nan 8.250 nan 0.000 0.528 389 D N -0.114 120.398 120.400 0.186 0.000 2.945 389 D HA 0.180 4.394 4.640 -0.710 0.000 0.369 389 D C 0.252 176.693 176.300 0.234 0.000 1.294 389 D CA 0.194 54.344 54.000 0.248 0.000 0.778 389 D CB 0.467 41.359 40.800 0.153 0.000 1.188 389 D HN 0.257 nan 8.370 nan 0.000 0.479 390 G N -0.125 108.804 108.800 0.214 0.000 2.184 390 G HA2 0.169 3.703 3.960 -0.710 0.000 0.206 390 G HA3 0.169 3.703 3.960 -0.710 0.000 0.206 390 G C 0.921 175.780 174.900 -0.068 0.000 0.995 390 G CA 0.153 45.266 45.100 0.023 0.000 0.651 390 G HN 1.197 nan 8.290 nan 0.000 0.511 391 G N -0.469 108.358 108.800 0.045 0.000 2.693 391 G HA2 0.065 3.599 3.960 -0.710 0.000 0.226 391 G HA3 0.065 3.599 3.960 -0.710 0.000 0.226 391 G C 0.821 175.737 174.900 0.028 0.000 1.354 391 G CA 0.764 45.942 45.100 0.130 0.000 0.873 391 G HN 1.773 nan 8.290 nan 0.000 0.562 392 I N -2.965 117.642 120.570 0.063 0.000 3.728 392 I HA 0.353 4.097 4.170 -0.710 0.000 0.307 392 I C 1.502 177.576 176.117 -0.072 0.000 1.276 392 I CA 1.361 62.667 61.300 0.009 0.000 1.285 392 I CB 0.185 38.222 38.000 0.062 0.000 1.038 392 I HN 0.282 nan 8.210 nan 0.000 0.445 393 D N 2.651 122.990 120.400 -0.102 0.000 2.097 393 D HA -0.073 4.141 4.640 -0.710 0.000 0.195 393 D C -0.349 175.801 176.300 -0.249 0.000 0.989 393 D CA 1.691 55.601 54.000 -0.149 0.000 0.827 393 D CB -1.566 39.156 40.800 -0.130 0.000 0.966 393 D HN 0.326 nan 8.370 nan 0.000 0.456 394 P HA -0.010 nan 4.420 nan 0.000 0.223 394 P C 1.469 178.596 177.300 -0.287 0.000 1.151 394 P CA 0.691 63.509 63.100 -0.470 0.000 0.787 394 P CB 0.076 31.247 31.700 -0.883 0.000 0.788 395 L N -1.461 119.635 121.223 -0.213 0.000 2.095 395 L HA -0.088 3.825 4.340 -0.710 0.000 0.204 395 L C 2.323 179.164 176.870 -0.049 0.000 1.080 395 L CA 1.042 55.815 54.840 -0.111 0.000 0.759 395 L CB -0.969 41.042 42.059 -0.079 0.000 0.914 395 L HN -0.171 nan 8.230 nan 0.000 0.439 396 V N -0.174 119.716 119.914 -0.040 0.000 2.358 396 V HA -0.245 3.449 4.120 -0.710 0.000 0.246 396 V C 2.602 178.727 176.094 0.052 0.000 1.047 396 V CA 1.606 63.924 62.300 0.030 0.000 1.035 396 V CB -0.616 31.226 31.823 0.031 0.000 0.658 396 V HN 0.390 nan 8.190 nan 0.000 0.452 397 R N 0.170 120.642 120.500 -0.046 0.000 2.105 397 R HA -0.127 3.787 4.340 -0.710 0.000 0.239 397 R C 2.472 178.825 176.300 0.088 0.000 1.135 397 R CA 1.490 57.550 56.100 -0.067 0.000 0.967 397 R CB -0.827 29.124 30.300 -0.582 0.000 0.861 397 R HN 0.600 nan 8.270 nan 0.000 0.442 398 G N 1.181 109.987 108.800 0.010 0.000 2.418 398 G HA2 -0.234 3.300 3.960 -0.710 0.000 0.217 398 G HA3 -0.234 3.300 3.960 -0.710 0.000 0.217 398 G C 1.439 176.405 174.900 0.110 0.000 1.158 398 G CA 0.456 45.592 45.100 0.059 0.000 0.771 398 G HN 0.142 nan 8.290 nan 0.000 0.545 399 L N -0.142 121.140 121.223 0.098 0.000 2.079 399 L HA -0.064 3.850 4.340 -0.710 0.000 0.210 399 L C 2.837 179.780 176.870 0.121 0.000 1.081 399 L CA 0.748 55.645 54.840 0.095 0.000 0.752 399 L CB -0.303 41.803 42.059 0.077 0.000 0.896 399 L HN 0.211 nan 8.230 nan 0.000 0.433 400 L N -1.189 120.154 121.223 0.199 0.000 2.162 400 L HA -0.028 3.886 4.340 -0.710 0.000 0.205 400 L C 2.599 179.668 176.870 0.332 0.000 1.086 400 L CA 0.900 55.887 54.840 0.245 0.000 0.778 400 L CB -0.544 41.743 42.059 0.381 0.000 0.928 400 L HN 0.172 nan 8.230 nan 0.000 0.446 401 A N -1.157 121.896 122.820 0.388 0.000 2.044 401 A HA 0.097 3.991 4.320 -0.710 0.000 0.213 401 A C 1.090 178.808 177.584 0.223 0.000 1.169 401 A CA 0.303 52.554 52.037 0.357 0.000 0.724 401 A CB 0.157 19.372 19.000 0.358 0.000 0.840 401 A HN 0.024 nan 8.150 nan 0.000 0.463 402 K N 1.081 121.588 120.400 0.178 0.000 2.090 402 K HA 0.324 4.218 4.320 -0.710 0.000 0.249 402 K C -0.952 175.726 176.600 0.131 0.000 0.995 402 K CA -0.621 55.748 56.287 0.137 0.000 0.914 402 K CB 0.420 32.988 32.500 0.112 0.000 1.057 402 K HN 0.158 nan 8.250 nan 0.000 0.462 403 N N 0.001 118.772 118.700 0.120 0.000 2.492 403 N HA 0.199 4.513 4.740 -0.710 0.000 0.289 403 N C -0.335 175.257 175.510 0.137 0.000 1.133 403 N CA -0.205 52.918 53.050 0.121 0.000 0.961 403 N CB 1.203 39.753 38.487 0.104 0.000 1.186 403 N HN 0.322 nan 8.380 nan 0.000 0.493 404 S N 0.265 116.065 115.700 0.166 0.000 2.624 404 S HA 0.113 4.157 4.470 -0.710 0.000 0.263 404 S C 0.452 175.155 174.600 0.171 0.000 1.287 404 S CA -0.418 57.901 58.200 0.198 0.000 0.990 404 S CB 0.783 64.162 63.200 0.299 0.000 0.950 404 S HN 0.375 nan 8.310 nan 0.000 0.561 405 K N 1.147 121.656 120.400 0.181 0.000 2.276 405 K HA 0.279 4.173 4.320 -0.710 0.000 0.283 405 K C -0.674 176.024 176.600 0.163 0.000 1.044 405 K CA -0.500 55.885 56.287 0.162 0.000 0.944 405 K CB 0.356 32.964 32.500 0.180 0.000 1.012 405 K HN 0.390 nan 8.250 nan 0.000 0.472 406 L N 4.669 125.961 121.223 0.115 0.000 2.371 406 L HA 0.256 4.170 4.340 -0.710 0.000 0.272 406 L C -0.131 176.788 176.870 0.082 0.000 1.124 406 L CA -0.256 54.643 54.840 0.099 0.000 0.816 406 L CB 0.946 43.038 42.059 0.055 0.000 1.129 406 L HN 0.761 nan 8.230 nan 0.000 0.448 407 M N 5.158 124.814 119.600 0.094 0.000 2.219 407 M HA 0.258 4.312 4.480 -0.710 0.000 0.353 407 M C -0.807 175.499 176.300 0.011 0.000 1.304 407 M CA 0.710 56.049 55.300 0.065 0.000 1.115 407 M CB -0.124 32.526 32.600 0.084 0.000 1.664 407 M HN 0.668 nan 8.290 nan 0.000 0.459 408 N N 3.097 121.782 118.700 -0.025 0.000 2.225 408 N HA 0.303 4.617 4.740 -0.710 0.000 0.298 408 N C -0.381 175.099 175.510 -0.050 0.000 1.076 408 N CA -0.318 52.699 53.050 -0.054 0.000 0.792 408 N CB 1.503 39.925 38.487 -0.109 0.000 1.498 408 N HN 0.855 nan 8.380 nan 0.000 0.474 409 Q N 0.723 120.499 119.800 -0.040 0.000 2.364 409 Q HA 0.078 3.991 4.340 -0.710 0.000 0.207 409 Q C 0.458 176.441 176.000 -0.028 0.000 0.970 409 Q CA 1.016 56.798 55.803 -0.035 0.000 0.888 409 Q CB 0.270 28.990 28.738 -0.030 0.000 0.951 409 Q HN 0.534 nan 8.270 nan 0.000 0.469 410 N N 0.252 118.926 118.700 -0.043 0.000 2.388 410 N HA 0.029 4.343 4.740 -0.710 0.000 0.176 410 N C -0.200 175.271 175.510 -0.065 0.000 1.062 410 N CA 0.553 53.582 53.050 -0.034 0.000 0.895 410 N CB 0.565 39.030 38.487 -0.036 0.000 1.018 410 N HN 0.056 nan 8.380 nan 0.000 0.456 411 K N 0.697 120.990 120.400 -0.179 0.000 2.646 411 K HA 0.385 4.279 4.320 -0.710 0.000 0.210 411 K C 0.456 176.920 176.600 -0.227 0.000 1.020 411 K CA -0.097 55.898 56.287 -0.487 0.000 1.040 411 K CB 1.552 33.438 32.500 -1.024 0.000 1.253 411 K HN -0.078 nan 8.250 nan 0.000 0.532 412 M N 0.186 119.842 119.600 0.094 0.000 2.206 412 M HA 0.084 4.138 4.480 -0.710 0.000 0.249 412 M C 0.554 177.030 176.300 0.294 0.000 1.125 412 M CA 0.945 56.337 55.300 0.153 0.000 1.166 412 M CB 0.357 33.030 32.600 0.121 0.000 1.266 412 M HN 0.070 nan 8.290 nan 0.000 0.445 413 V N 0.472 120.618 119.914 0.386 0.000 2.513 413 V HA 0.213 3.907 4.120 -0.710 0.000 0.299 413 V C 0.091 176.377 176.094 0.321 0.000 1.035 413 V CA -0.797 61.721 62.300 0.363 0.000 0.889 413 V CB 1.573 33.596 31.823 0.333 0.000 0.988 413 V HN 0.338 nan 8.190 nan 0.000 0.440 414 T N 2.543 117.252 114.554 0.257 0.000 2.926 414 T HA 0.051 3.975 4.350 -0.710 0.000 0.307 414 T C 1.409 176.100 174.700 -0.015 0.000 1.059 414 T CA 0.323 62.451 62.100 0.047 0.000 1.122 414 T CB 0.886 69.840 68.868 0.143 0.000 0.972 414 T HN 0.798 nan 8.240 nan 0.000 0.545 415 S N 2.959 118.575 115.700 -0.140 0.000 2.419 415 S HA -0.086 3.957 4.470 -0.710 0.000 0.233 415 S C 1.914 176.536 174.600 0.036 0.000 1.016 415 S CA 0.763 58.922 58.200 -0.069 0.000 0.974 415 S CB -0.162 62.964 63.200 -0.122 0.000 0.786 415 S HN 0.731 nan 8.310 nan 0.000 0.492 416 E N 0.932 121.184 120.200 0.087 0.000 2.267 416 E HA -0.062 3.862 4.350 -0.710 0.000 0.197 416 E C 1.685 178.498 176.600 0.356 0.000 0.998 416 E CA 0.772 57.295 56.400 0.205 0.000 0.830 416 E CB -0.167 29.650 29.700 0.194 0.000 0.751 416 E HN 0.502 nan 8.360 nan 0.000 0.491 417 L N -0.801 120.575 121.223 0.255 0.000 2.500 417 L HA 0.170 4.083 4.340 -0.710 0.000 0.219 417 L C 2.483 179.427 176.870 0.124 0.000 1.057 417 L CA 0.023 54.989 54.840 0.210 0.000 0.854 417 L CB 0.112 42.258 42.059 0.146 0.000 1.078 417 L HN -0.086 nan 8.230 nan 0.000 0.480 418 R N -0.127 120.437 120.500 0.106 0.000 2.210 418 R HA 0.034 3.948 4.340 -0.710 0.000 0.203 418 R C 1.231 177.570 176.300 0.064 0.000 1.010 418 R CA 0.687 56.836 56.100 0.081 0.000 1.008 418 R CB 0.366 30.712 30.300 0.077 0.000 0.923 418 R HN 0.319 nan 8.270 nan 0.000 0.469 419 N N -0.583 118.154 118.700 0.062 0.000 2.360 419 N HA 0.062 4.376 4.740 -0.710 0.000 0.211 419 N C -0.009 175.549 175.510 0.079 0.000 1.147 419 N CA 0.436 53.506 53.050 0.034 0.000 0.866 419 N CB 0.858 39.332 38.487 -0.022 0.000 1.206 419 N HN 0.018 nan 8.380 nan 0.000 0.478 420 K N 0.822 121.314 120.400 0.155 0.000 2.646 420 K HA 0.234 4.128 4.320 -0.710 0.000 0.206 420 K C -0.348 176.570 176.600 0.531 0.000 1.069 420 K CA -0.352 56.087 56.287 0.255 0.000 1.067 420 K CB 1.002 33.543 32.500 0.067 0.000 0.807 420 K HN -0.067 nan 8.250 nan 0.000 0.482 421 L N 1.271 122.737 121.223 0.405 0.000 2.453 421 L HA 0.223 4.137 4.340 -0.710 0.000 0.272 421 L C -0.495 176.611 176.870 0.393 0.000 1.182 421 L CA 0.089 55.102 54.840 0.289 0.000 0.858 421 L CB 0.157 42.237 42.059 0.035 0.000 1.120 421 L HN 0.013 nan 8.230 nan 0.000 0.474 422 F N 4.283 124.334 119.950 0.168 0.000 2.421 422 F HA 0.475 4.572 4.527 -0.716 0.000 0.337 422 F C -0.036 175.756 175.800 -0.014 0.000 1.105 422 F CA -0.161 57.905 58.000 0.109 0.000 1.049 422 F CB 1.014 40.111 39.000 0.162 0.000 1.139 422 F HN 0.519 nan 8.300 nan 0.000 0.479 423 Q N 6.964 126.409 119.800 -0.591 0.000 2.365 423 Q HA 0.285 4.199 4.340 -0.710 0.000 0.269 423 Q C -1.815 173.761 176.000 -0.707 0.000 1.061 423 Q CA -1.980 53.520 55.803 -0.504 0.000 0.816 423 Q CB 2.489 30.826 28.738 -0.670 0.000 1.325 423 Q HN 0.383 nan 8.270 nan 0.000 0.446 424 P HA -0.190 nan 4.420 nan 0.000 0.217 424 P C 0.807 177.746 177.300 -0.601 0.000 1.148 424 P CA 1.519 64.164 63.100 -0.758 0.000 0.828 424 P CB 0.309 31.651 31.700 -0.597 0.000 0.783 425 T N -1.210 112.989 114.554 -0.592 0.000 2.851 425 T HA -0.040 3.884 4.350 -0.710 0.000 0.262 425 T C 1.208 175.466 174.700 -0.737 0.000 1.043 425 T CA 0.989 62.690 62.100 -0.666 0.000 1.140 425 T CB -0.499 67.883 68.868 -0.809 0.000 0.872 425 T HN 0.271 nan 8.240 nan 0.000 0.446 426 H N 0.561 119.343 119.070 -0.480 0.000 2.523 426 H HA 0.435 4.563 4.556 -0.712 0.000 0.317 426 H C 0.877 175.849 175.328 -0.594 0.000 1.511 426 H CA -0.288 55.533 56.048 -0.378 0.000 1.499 426 H CB 0.941 30.642 29.762 -0.102 0.000 1.742 426 H HN 0.087 nan 8.280 nan 0.000 0.750 427 K N 0.278 120.552 120.400 -0.210 0.000 2.464 427 K HA 0.156 4.050 4.320 -0.710 0.000 0.206 427 K C 0.260 176.955 176.600 0.159 0.000 1.186 427 K CA 0.143 56.310 56.287 -0.200 0.000 0.990 427 K CB 1.065 33.551 32.500 -0.025 0.000 1.003 427 K HN 0.297 nan 8.250 nan 0.000 0.562 428 V N -0.120 119.857 119.914 0.105 0.000 2.644 428 V HA 0.297 3.991 4.120 -0.710 0.000 0.295 428 V C -0.355 175.899 176.094 0.266 0.000 1.053 428 V CA -0.685 61.742 62.300 0.212 0.000 0.987 428 V CB 0.972 32.846 31.823 0.085 0.000 1.006 428 V HN 0.149 nan 8.190 nan 0.000 0.472 429 H N 3.001 122.333 119.070 0.436 0.000 2.745 429 H HA 0.593 4.722 4.556 -0.712 0.000 0.235 429 H C 0.919 176.401 175.328 0.257 0.000 1.815 429 H CA 0.656 56.997 56.048 0.489 0.000 1.321 429 H CB 0.384 30.441 29.762 0.491 0.000 1.716 429 H HN 1.053 nan 8.280 nan 0.000 0.546 430 G N 0.909 109.847 108.800 0.230 0.000 4.596 430 G HA2 0.071 3.605 3.960 -0.710 0.000 0.276 430 G HA3 0.071 3.605 3.960 -0.710 0.000 0.276 430 G C -0.407 174.420 174.900 -0.121 0.000 1.013 430 G CA -0.225 44.887 45.100 0.019 0.000 0.778 430 G HN 0.192 nan 8.290 nan 0.000 0.389 431 F N 0.688 120.669 119.950 0.052 0.000 2.380 431 F HA 0.566 4.669 4.527 -0.706 0.000 0.319 431 F C 0.053 175.869 175.800 0.028 0.000 1.113 431 F CA -0.708 57.302 58.000 0.017 0.000 1.056 431 F CB 1.464 40.440 39.000 -0.039 0.000 1.289 431 F HN -0.102 nan 8.300 nan 0.000 0.515 432 D N 1.607 122.137 120.400 0.216 0.000 2.471 432 D HA 0.161 4.375 4.640 -0.710 0.000 0.245 432 D C 0.451 176.780 176.300 0.048 0.000 1.116 432 D CA -0.390 53.675 54.000 0.109 0.000 0.853 432 D CB 1.447 42.299 40.800 0.086 0.000 1.123 432 D HN 0.367 nan 8.370 nan 0.000 0.540 433 L N 4.673 125.889 121.223 -0.013 0.000 2.083 433 L HA 0.034 3.948 4.340 -0.710 0.000 0.209 433 L C 1.974 178.729 176.870 -0.191 0.000 1.083 433 L CA 2.211 56.970 54.840 -0.136 0.000 0.752 433 L CB -0.638 41.271 42.059 -0.249 0.000 0.899 433 L HN 0.530 nan 8.230 nan 0.000 0.433 434 A N -0.730 122.035 122.820 -0.091 0.000 1.898 434 A HA -0.034 3.860 4.320 -0.710 0.000 0.216 434 A C 2.432 179.908 177.584 -0.179 0.000 1.181 434 A CA 1.572 53.528 52.037 -0.136 0.000 0.620 434 A CB -1.032 18.102 19.000 0.223 0.000 0.819 434 A HN 0.511 nan 8.150 nan 0.000 0.442 435 A N -0.169 122.614 122.820 -0.063 0.000 1.930 435 A HA -0.025 3.869 4.320 -0.710 0.000 0.217 435 A C 2.090 179.578 177.584 -0.160 0.000 1.175 435 A CA 1.399 53.390 52.037 -0.077 0.000 0.627 435 A CB -0.571 18.411 19.000 -0.031 0.000 0.815 435 A HN 0.486 nan 8.150 nan 0.000 0.443 436 I N 0.093 120.596 120.570 -0.111 0.000 2.226 436 I HA -0.261 3.483 4.170 -0.710 0.000 0.245 436 I C 2.118 178.198 176.117 -0.062 0.000 1.100 436 I CA 1.166 62.445 61.300 -0.034 0.000 1.374 436 I CB -0.424 37.641 38.000 0.108 0.000 1.057 436 I HN 0.273 nan 8.210 nan 0.000 0.413 437 N N 0.840 119.395 118.700 -0.241 0.000 2.104 437 N HA -0.135 4.179 4.740 -0.710 0.000 0.190 437 N C 1.899 177.285 175.510 -0.207 0.000 1.024 437 N CA 1.356 54.195 53.050 -0.352 0.000 0.853 437 N CB -0.378 37.440 38.487 -1.116 0.000 1.008 437 N HN 0.314 nan 8.380 nan 0.000 0.424 438 L N 0.316 121.416 121.223 -0.205 0.000 2.109 438 L HA -0.097 3.817 4.340 -0.710 0.000 0.207 438 L C 2.436 179.280 176.870 -0.043 0.000 1.086 438 L CA 0.826 55.652 54.840 -0.023 0.000 0.760 438 L CB -0.301 41.804 42.059 0.076 0.000 0.910 438 L HN 0.110 nan 8.230 nan 0.000 0.437 439 Q N 0.154 119.841 119.800 -0.188 0.000 2.119 439 Q HA -0.225 3.689 4.340 -0.710 0.000 0.201 439 Q C 2.229 178.211 176.000 -0.031 0.000 0.972 439 Q CA 1.405 57.002 55.803 -0.344 0.000 0.847 439 Q CB 0.019 28.135 28.738 -1.038 0.000 0.903 439 Q HN 0.112 nan 8.270 nan 0.000 0.433 440 R N -0.942 119.653 120.500 0.159 0.000 2.115 440 R HA -0.023 3.891 4.340 -0.710 0.000 0.226 440 R C 2.076 178.572 176.300 0.326 0.000 1.100 440 R CA 1.410 57.824 56.100 0.523 0.000 0.980 440 R CB -0.915 29.729 30.300 0.573 0.000 0.875 440 R HN 0.391 nan 8.270 nan 0.000 0.445 441 C N 0.057 119.313 119.300 -0.073 0.000 2.398 441 C HA -0.109 3.925 4.460 -0.710 0.000 0.276 441 C C 2.491 177.417 174.990 -0.106 0.000 1.222 441 C CA 1.277 59.979 59.018 -0.527 0.000 1.746 441 C CB -0.804 26.730 27.740 -0.342 0.000 2.039 441 C HN 0.518 nan 8.230 nan 0.000 0.470 442 R N 0.366 120.932 120.500 0.110 0.000 2.073 442 R HA -0.091 3.823 4.340 -0.710 0.000 0.229 442 R C 1.904 178.379 176.300 0.293 0.000 1.120 442 R CA 1.597 57.833 56.100 0.226 0.000 0.967 442 R CB -0.564 29.934 30.300 0.331 0.000 0.862 442 R HN 0.514 nan 8.270 nan 0.000 0.436 443 D N 0.617 121.287 120.400 0.450 0.000 2.133 443 D HA -0.209 4.005 4.640 -0.710 0.000 0.195 443 D C 1.500 178.053 176.300 0.422 0.000 0.997 443 D CA 1.446 55.747 54.000 0.501 0.000 0.840 443 D CB -0.111 41.130 40.800 0.736 0.000 0.947 443 D HN 0.361 nan 8.370 nan 0.000 0.452 444 H N -1.273 117.959 119.070 0.270 0.000 2.556 444 H HA 0.176 4.309 4.556 -0.705 0.000 0.268 444 H C 1.059 176.404 175.328 0.027 0.000 0.996 444 H CA 0.525 56.718 56.048 0.241 0.000 1.157 444 H CB 0.214 30.203 29.762 0.379 0.000 1.355 444 H HN 0.335 nan 8.280 nan 0.000 0.597 445 G N 1.577 110.302 108.800 -0.126 0.000 2.225 445 G HA2 -0.253 3.281 3.960 -0.710 0.000 0.264 445 G HA3 -0.253 3.281 3.960 -0.710 0.000 0.264 445 G C 0.194 174.951 174.900 -0.239 0.000 1.060 445 G CA -0.136 44.562 45.100 -0.670 0.000 0.833 445 G HN 0.098 nan 8.290 nan 0.000 0.498 446 M N 0.167 119.734 119.600 -0.055 0.000 2.238 446 M HA 0.211 4.265 4.480 -0.710 0.000 0.350 446 M C -1.610 174.747 176.300 0.095 0.000 1.321 446 M CA -2.014 53.331 55.300 0.074 0.000 1.097 446 M CB -0.117 32.478 32.600 -0.009 0.000 1.713 446 M HN 0.006 nan 8.290 nan 0.000 0.455 447 P HA 0.099 nan 4.420 nan 0.000 0.269 447 P C 0.356 177.690 177.300 0.056 0.000 1.217 447 P CA -0.081 62.977 63.100 -0.069 0.000 0.783 447 P CB 0.398 31.814 31.700 -0.473 0.000 0.898 448 G N 0.059 108.839 108.800 -0.033 0.000 2.631 448 G HA2 -0.070 3.464 3.960 -0.710 0.000 0.271 448 G HA3 -0.070 3.464 3.960 -0.710 0.000 0.271 448 G C 0.328 175.333 174.900 0.175 0.000 1.302 448 G CA -0.141 44.994 45.100 0.058 0.000 1.002 448 G HN 0.502 nan 8.290 nan 0.000 0.519 449 Y N 0.018 120.354 120.300 0.061 0.000 2.224 449 Y HA -0.153 3.969 4.550 -0.713 0.000 0.289 449 Y C 2.544 178.507 175.900 0.105 0.000 1.146 449 Y CA 2.277 60.444 58.100 0.112 0.000 1.182 449 Y CB -0.013 38.441 38.460 -0.011 0.000 0.983 449 Y HN 0.392 nan 8.280 nan 0.000 0.524 450 N N -0.414 118.247 118.700 -0.064 0.000 2.331 450 N HA -0.117 4.197 4.740 -0.710 0.000 0.180 450 N C 1.906 177.330 175.510 -0.144 0.000 1.019 450 N CA 1.274 54.229 53.050 -0.159 0.000 0.881 450 N CB -0.243 38.213 38.487 -0.052 0.000 0.972 450 N HN 0.315 nan 8.380 nan 0.000 0.435 451 S N -0.373 115.213 115.700 -0.190 0.000 2.383 451 S HA -0.080 3.964 4.470 -0.710 0.000 0.227 451 S C 1.578 175.981 174.600 -0.328 0.000 1.026 451 S CA 0.793 58.801 58.200 -0.321 0.000 0.981 451 S CB -0.246 62.640 63.200 -0.523 0.000 0.818 451 S HN 0.506 nan 8.310 nan 0.000 0.472 452 W N 1.651 122.940 121.300 -0.018 0.000 2.453 452 W HA 0.121 4.364 4.660 -0.695 0.000 0.289 452 W C 2.505 179.047 176.519 0.039 0.000 1.215 452 W CA -0.317 57.049 57.345 0.036 0.000 1.297 452 W CB -0.103 29.358 29.460 0.001 0.000 1.113 452 W HN 0.043 nan 8.180 nan 0.000 0.551 453 R N 0.289 120.817 120.500 0.047 0.000 2.091 453 R HA -0.119 3.794 4.340 -0.710 0.000 0.238 453 R C 2.318 178.636 176.300 0.030 0.000 1.136 453 R CA 1.678 57.741 56.100 -0.062 0.000 0.959 453 R CB -1.601 28.525 30.300 -0.290 0.000 0.856 453 R HN 0.362 nan 8.270 nan 0.000 0.437 454 G N -0.098 108.717 108.800 0.024 0.000 2.408 454 G HA2 -0.271 3.262 3.960 -0.710 0.000 0.217 454 G HA3 -0.271 3.262 3.960 -0.710 0.000 0.217 454 G C 1.376 176.336 174.900 0.100 0.000 1.150 454 G CA 0.258 45.381 45.100 0.037 0.000 0.776 454 G HN 0.326 nan 8.290 nan 0.000 0.542 455 F N 0.821 120.783 119.950 0.020 0.000 2.216 455 F HA -0.042 4.058 4.527 -0.710 0.000 0.300 455 F C 2.049 177.912 175.800 0.105 0.000 1.085 455 F CA 0.942 58.990 58.000 0.079 0.000 1.326 455 F CB 0.015 39.126 39.000 0.185 0.000 1.027 455 F HN 0.140 nan 8.300 nan 0.000 0.497 456 c N 0.839 119.552 118.600 0.188 0.000 2.673 456 c HA 0.418 4.562 4.570 -0.710 0.000 0.274 456 c C 1.648 175.804 174.090 0.109 0.000 1.276 456 c CA 0.549 56.943 56.329 0.107 0.000 1.701 456 c CB -1.308 41.302 42.510 0.167 0.000 1.836 456 c HN 0.842 nan 8.230 nan 0.000 0.596 457 G N 1.234 110.066 108.800 0.052 0.000 2.198 457 G HA2 -0.222 3.312 3.960 -0.710 0.000 0.257 457 G HA3 -0.222 3.312 3.960 -0.710 0.000 0.257 457 G C -0.223 174.708 174.900 0.052 0.000 1.042 457 G CA 0.185 45.310 45.100 0.042 0.000 0.791 457 G HN 0.533 nan 8.290 nan 0.000 0.502 458 L N 0.169 121.422 121.223 0.049 0.000 2.303 458 L HA 0.728 4.642 4.340 -0.710 0.000 0.266 458 L C 1.293 178.169 176.870 0.009 0.000 1.011 458 L CA -0.673 54.189 54.840 0.037 0.000 0.818 458 L CB 1.736 43.822 42.059 0.045 0.000 1.326 458 L HN 0.365 nan 8.230 nan 0.000 0.435 459 S N 0.229 115.935 115.700 0.010 0.000 2.568 459 S HA 0.124 4.168 4.470 -0.710 0.000 0.282 459 S C -0.355 174.236 174.600 -0.016 0.000 1.338 459 S CA -0.488 57.715 58.200 0.004 0.000 1.045 459 S CB 0.488 63.697 63.200 0.016 0.000 0.873 459 S HN 0.607 nan 8.310 nan 0.000 0.516 460 Q N 2.126 121.918 119.800 -0.013 0.000 2.456 460 Q HA 0.362 4.276 4.340 -0.710 0.000 0.252 460 Q C -2.600 173.408 176.000 0.014 0.000 1.042 460 Q CA -1.891 53.898 55.803 -0.023 0.000 0.766 460 Q CB 1.133 29.854 28.738 -0.028 0.000 1.196 460 Q HN 0.535 nan 8.270 nan 0.000 0.504 461 P HA 0.010 nan 4.420 nan 0.000 0.268 461 P C 0.071 177.404 177.300 0.055 0.000 1.204 461 P CA -0.141 62.996 63.100 0.061 0.000 0.768 461 P CB 0.979 32.740 31.700 0.101 0.000 0.842 462 K N -0.050 120.375 120.400 0.041 0.000 2.435 462 K HA 0.132 4.026 4.320 -0.710 0.000 0.199 462 K C 0.849 177.467 176.600 0.030 0.000 1.153 462 K CA 0.697 57.007 56.287 0.038 0.000 0.974 462 K CB 0.231 32.752 32.500 0.035 0.000 0.997 462 K HN 0.579 nan 8.250 nan 0.000 0.547 463 T N -1.383 113.188 114.554 0.028 0.000 2.949 463 T HA 0.303 4.227 4.350 -0.710 0.000 0.287 463 T C 1.095 175.805 174.700 0.016 0.000 1.034 463 T CA -0.803 61.309 62.100 0.020 0.000 1.018 463 T CB 1.456 70.336 68.868 0.020 0.000 1.135 463 T HN -0.130 nan 8.240 nan 0.000 0.532 464 L N 0.903 122.132 121.223 0.009 0.000 2.017 464 L HA 0.086 4.000 4.340 -0.710 0.000 0.208 464 L C 2.473 179.349 176.870 0.011 0.000 1.073 464 L CA 1.845 56.689 54.840 0.006 0.000 0.745 464 L CB -0.983 41.077 42.059 0.003 0.000 0.894 464 L HN 0.769 nan 8.230 nan 0.000 0.432 465 K N -0.821 119.587 120.400 0.013 0.000 2.097 465 K HA -0.068 3.826 4.320 -0.710 0.000 0.206 465 K C 1.993 178.605 176.600 0.019 0.000 1.049 465 K CA 1.110 57.405 56.287 0.014 0.000 0.933 465 K CB -0.651 31.857 32.500 0.013 0.000 0.717 465 K HN 0.548 nan 8.250 nan 0.000 0.442 466 G N 1.261 110.076 108.800 0.024 0.000 2.422 466 G HA2 -0.229 3.305 3.960 -0.710 0.000 0.218 466 G HA3 -0.229 3.305 3.960 -0.710 0.000 0.218 466 G C 1.400 176.326 174.900 0.043 0.000 1.146 466 G CA 0.421 45.540 45.100 0.032 0.000 0.769 466 G HN 0.124 nan 8.290 nan 0.000 0.547 467 L N 0.045 121.292 121.223 0.040 0.000 2.179 467 L HA 0.147 4.061 4.340 -0.710 0.000 0.208 467 L C 2.838 179.723 176.870 0.025 0.000 1.096 467 L CA 1.430 56.296 54.840 0.043 0.000 0.779 467 L CB -0.334 41.739 42.059 0.023 0.000 0.922 467 L HN 0.245 nan 8.230 nan 0.000 0.443 468 Q N -1.031 118.779 119.800 0.017 0.000 2.170 468 Q HA -0.146 3.768 4.340 -0.710 0.000 0.203 468 Q C 2.171 178.180 176.000 0.015 0.000 0.976 468 Q CA 1.391 57.200 55.803 0.011 0.000 0.858 468 Q CB -0.186 28.557 28.738 0.009 0.000 0.907 468 Q HN 0.666 nan 8.270 nan 0.000 0.433 469 A N -0.132 122.701 122.820 0.022 0.000 1.930 469 A HA -0.075 3.819 4.320 -0.710 0.000 0.215 469 A C 2.220 179.822 177.584 0.030 0.000 1.176 469 A CA 0.848 52.899 52.037 0.023 0.000 0.632 469 A CB -0.327 18.688 19.000 0.024 0.000 0.819 469 A HN 0.186 nan 8.150 nan 0.000 0.445 470 V N 0.130 120.070 119.914 0.044 0.000 2.283 470 V HA -0.177 3.517 4.120 -0.710 0.000 0.243 470 V C 2.410 178.533 176.094 0.048 0.000 1.039 470 V CA 1.833 64.170 62.300 0.062 0.000 1.016 470 V CB -0.634 31.254 31.823 0.108 0.000 0.650 470 V HN 0.557 nan 8.190 nan 0.000 0.449 471 L N -0.809 120.432 121.223 0.030 0.000 2.395 471 L HA 0.048 3.962 4.340 -0.710 0.000 0.218 471 L C 1.140 178.012 176.870 0.003 0.000 1.130 471 L CA 0.455 55.299 54.840 0.006 0.000 0.826 471 L CB -0.539 41.507 42.059 -0.022 0.000 0.941 471 L HN 0.342 nan 8.230 nan 0.000 0.451 472 K N 0.980 121.385 120.400 0.008 0.000 3.035 472 K HA -0.218 3.676 4.320 -0.710 0.000 0.262 472 K C -0.142 176.458 176.600 -0.000 0.000 1.024 472 K CA 0.443 56.733 56.287 0.006 0.000 0.748 472 K CB -1.484 31.020 32.500 0.006 0.000 1.247 472 K HN 0.313 nan 8.250 nan 0.000 0.482 473 N N 0.234 118.933 118.700 -0.002 0.000 2.572 473 N HA 0.141 4.454 4.740 -0.710 0.000 0.287 473 N C 0.089 175.596 175.510 -0.004 0.000 1.136 473 N CA -0.554 52.492 53.050 -0.005 0.000 0.900 473 N CB 1.251 39.731 38.487 -0.011 0.000 1.484 473 N HN -0.028 nan 8.380 nan 0.000 0.526 474 K N 1.063 121.462 120.400 -0.002 0.000 2.057 474 K HA -0.005 3.889 4.320 -0.710 0.000 0.206 474 K C 1.527 178.126 176.600 -0.001 0.000 1.050 474 K CA 1.201 57.488 56.287 -0.000 0.000 0.935 474 K CB 0.312 32.813 32.500 0.002 0.000 0.715 474 K HN 0.276 nan 8.250 nan 0.000 0.439 475 V N 1.568 121.482 119.914 -0.001 0.000 2.270 475 V HA -0.219 3.475 4.120 -0.710 0.000 0.245 475 V C 2.201 178.295 176.094 -0.000 0.000 1.043 475 V CA 1.312 63.613 62.300 0.001 0.000 1.014 475 V CB -0.446 31.379 31.823 0.004 0.000 0.645 475 V HN 0.216 nan 8.190 nan 0.000 0.447 476 L N 0.967 122.187 121.223 -0.005 0.000 2.042 476 L HA -0.129 3.785 4.340 -0.710 0.000 0.210 476 L C 2.458 179.318 176.870 -0.017 0.000 1.076 476 L CA 2.396 57.230 54.840 -0.011 0.000 0.749 476 L CB -0.875 41.171 42.059 -0.022 0.000 0.893 476 L HN 0.238 nan 8.230 nan 0.000 0.432 477 A N -0.915 121.894 122.820 -0.019 0.000 1.933 477 A HA -0.250 3.644 4.320 -0.710 0.000 0.218 477 A C 2.464 180.042 177.584 -0.011 0.000 1.175 477 A CA 1.925 53.949 52.037 -0.022 0.000 0.628 477 A CB -0.585 18.407 19.000 -0.014 0.000 0.814 477 A HN 0.489 nan 8.150 nan 0.000 0.444 478 K N -0.197 120.201 120.400 -0.005 0.000 2.097 478 K HA -0.098 3.796 4.320 -0.710 0.000 0.205 478 K C 1.950 178.551 176.600 0.002 0.000 1.050 478 K CA 1.422 57.708 56.287 -0.002 0.000 0.938 478 K CB -0.143 32.357 32.500 -0.000 0.000 0.718 478 K HN 0.410 nan 8.250 nan 0.000 0.442 479 K N 0.420 120.824 120.400 0.007 0.000 2.148 479 K HA -0.070 3.824 4.320 -0.710 0.000 0.204 479 K C 2.088 178.709 176.600 0.034 0.000 1.050 479 K CA 0.842 57.138 56.287 0.015 0.000 0.942 479 K CB 0.034 32.545 32.500 0.018 0.000 0.724 479 K HN 0.144 nan 8.250 nan 0.000 0.446 480 L N 0.642 121.890 121.223 0.042 0.000 2.072 480 L HA -0.121 3.793 4.340 -0.710 0.000 0.205 480 L C 2.147 179.094 176.870 0.129 0.000 1.079 480 L CA 0.882 55.787 54.840 0.108 0.000 0.752 480 L CB -0.160 41.913 42.059 0.023 0.000 0.906 480 L HN 0.152 nan 8.230 nan 0.000 0.436 481 L N -0.744 120.502 121.223 0.039 0.000 2.291 481 L HA -0.164 3.749 4.340 -0.710 0.000 0.214 481 L C 1.890 178.743 176.870 -0.028 0.000 1.120 481 L CA 0.624 55.464 54.840 0.001 0.000 0.799 481 L CB -0.518 41.525 42.059 -0.027 0.000 0.925 481 L HN 0.265 nan 8.230 nan 0.000 0.446 482 D N 0.214 120.605 120.400 -0.015 0.000 2.178 482 D HA -0.125 4.089 4.640 -0.710 0.000 0.201 482 D C 2.275 178.543 176.300 -0.054 0.000 0.980 482 D CA 1.188 55.170 54.000 -0.030 0.000 0.842 482 D CB 0.137 40.928 40.800 -0.016 0.000 0.948 482 D HN 0.253 nan 8.370 nan 0.000 0.472 483 L N -1.409 119.776 121.223 -0.062 0.000 2.200 483 L HA -0.023 3.891 4.340 -0.710 0.000 0.200 483 L C 1.754 178.470 176.870 -0.256 0.000 1.072 483 L CA 0.537 55.272 54.840 -0.176 0.000 0.787 483 L CB -0.125 41.785 42.059 -0.248 0.000 0.957 483 L HN -0.002 nan 8.230 nan 0.000 0.459 484 Y N -0.421 119.828 120.300 -0.085 0.000 2.510 484 Y HA 0.028 4.151 4.550 -0.711 0.000 0.273 484 Y C 1.186 176.939 175.900 -0.246 0.000 1.119 484 Y CA -0.230 57.802 58.100 -0.112 0.000 1.286 484 Y CB 0.337 38.746 38.460 -0.084 0.000 1.061 484 Y HN -0.021 nan 8.280 nan 0.000 0.542 485 K N -0.508 119.787 120.400 -0.176 0.000 3.595 485 K HA -0.250 3.644 4.320 -0.710 0.000 0.284 485 K C 0.329 176.594 176.600 -0.559 0.000 1.150 485 K CA 1.581 57.583 56.287 -0.475 0.000 1.056 485 K CB -1.863 30.110 32.500 -0.878 0.000 1.354 485 K HN 0.390 nan 8.250 nan 0.000 0.448 486 T N -1.133 113.228 114.554 -0.321 0.000 2.942 486 T HA 0.437 4.361 4.350 -0.710 0.000 0.327 486 T C -2.671 172.001 174.700 -0.047 0.000 1.360 486 T CA -1.117 60.880 62.100 -0.171 0.000 1.055 486 T CB 2.151 70.941 68.868 -0.129 0.000 1.261 486 T HN -0.270 nan 8.240 nan 0.000 0.485 487 P HA 0.106 nan 4.420 nan 0.000 0.230 487 P C 0.646 177.996 177.300 0.082 0.000 1.158 487 P CA 0.502 63.630 63.100 0.047 0.000 0.769 487 P CB 0.201 31.964 31.700 0.106 0.000 0.807 488 D N -0.921 119.509 120.400 0.050 0.000 2.219 488 D HA -0.081 4.133 4.640 -0.710 0.000 0.205 488 D C 1.322 177.631 176.300 0.016 0.000 0.970 488 D CA 1.027 55.050 54.000 0.039 0.000 0.851 488 D CB -0.442 40.383 40.800 0.041 0.000 0.943 488 D HN 0.093 nan 8.370 nan 0.000 0.488 489 N N -0.150 118.558 118.700 0.013 0.000 2.299 489 N HA 0.107 4.421 4.740 -0.710 0.000 0.187 489 N C 0.251 175.723 175.510 -0.062 0.000 1.099 489 N CA -0.102 52.964 53.050 0.026 0.000 0.867 489 N CB 0.578 39.141 38.487 0.127 0.000 0.974 489 N HN 0.219 nan 8.380 nan 0.000 0.477 490 I N 2.134 122.503 120.570 -0.334 0.000 2.742 490 I HA -0.103 3.641 4.170 -0.710 0.000 0.287 490 I C 0.237 176.137 176.117 -0.363 0.000 1.186 490 I CA 0.357 61.127 61.300 -0.884 0.000 1.417 490 I CB 0.209 37.796 38.000 -0.688 0.000 1.377 490 I HN -0.095 nan 8.210 nan 0.000 0.556 491 D N 6.101 126.314 120.400 -0.312 0.000 2.455 491 D HA -0.054 4.160 4.640 -0.710 0.000 0.241 491 D C 1.179 177.512 176.300 0.055 0.000 1.138 491 D CA -0.013 53.993 54.000 0.009 0.000 0.877 491 D CB 1.456 42.346 40.800 0.149 0.000 1.187 491 D HN 0.473 nan 8.370 nan 0.000 0.451 492 I N 3.050 123.693 120.570 0.122 0.000 2.185 492 I HA -0.253 3.490 4.170 -0.710 0.000 0.246 492 I C 1.890 178.090 176.117 0.137 0.000 1.088 492 I CA 1.497 62.885 61.300 0.147 0.000 1.347 492 I CB -0.228 37.777 38.000 0.007 0.000 1.041 492 I HN 0.639 nan 8.210 nan 0.000 0.415 493 W N 0.637 121.934 121.300 -0.005 0.000 2.333 493 W HA -0.258 3.965 4.660 -0.728 0.000 0.316 493 W C 2.357 178.908 176.519 0.053 0.000 1.215 493 W CA 2.195 59.576 57.345 0.061 0.000 1.278 493 W CB -0.565 28.962 29.460 0.111 0.000 1.154 493 W HN 0.264 nan 8.180 nan 0.000 0.486 494 I N 0.937 121.517 120.570 0.018 0.000 2.439 494 I HA 0.046 3.790 4.170 -0.710 0.000 0.251 494 I C 2.406 178.351 176.117 -0.287 0.000 1.139 494 I CA 2.035 63.194 61.300 -0.236 0.000 1.438 494 I CB -1.084 36.938 38.000 0.038 0.000 1.085 494 I HN 0.078 nan 8.210 nan 0.000 0.427 495 G N -0.162 108.482 108.800 -0.260 0.000 2.414 495 G HA2 -0.174 3.360 3.960 -0.710 0.000 0.215 495 G HA3 -0.174 3.360 3.960 -0.710 0.000 0.215 495 G C 1.717 176.495 174.900 -0.203 0.000 1.188 495 G CA 0.572 45.382 45.100 -0.483 0.000 0.783 495 G HN 0.512 nan 8.290 nan 0.000 0.537 496 G N 0.668 109.477 108.800 0.016 0.000 2.418 496 G HA2 -0.225 3.309 3.960 -0.710 0.000 0.217 496 G HA3 -0.225 3.309 3.960 -0.710 0.000 0.217 496 G C 1.659 176.527 174.900 -0.054 0.000 1.158 496 G CA 1.080 46.214 45.100 0.056 0.000 0.771 496 G HN 0.523 nan 8.290 nan 0.000 0.545 497 N N 0.325 118.913 118.700 -0.187 0.000 2.494 497 N HA 0.203 4.517 4.740 -0.710 0.000 0.182 497 N C 2.149 177.562 175.510 -0.162 0.000 1.076 497 N CA 0.555 53.483 53.050 -0.203 0.000 0.908 497 N CB 0.051 38.301 38.487 -0.396 0.000 0.967 497 N HN 0.335 nan 8.380 nan 0.000 0.449 498 A N 0.528 123.244 122.820 -0.173 0.000 2.072 498 A HA 0.026 3.920 4.320 -0.710 0.000 0.216 498 A C 0.612 178.148 177.584 -0.079 0.000 1.156 498 A CA 0.343 52.298 52.037 -0.137 0.000 0.701 498 A CB 0.051 18.942 19.000 -0.182 0.000 0.816 498 A HN 0.243 nan 8.150 nan 0.000 0.458 499 E N 1.114 121.286 120.200 -0.046 0.000 2.384 499 E HA 0.215 4.139 4.350 -0.710 0.000 0.266 499 E C -2.409 174.189 176.600 -0.003 0.000 1.012 499 E CA -1.853 54.550 56.400 0.005 0.000 0.901 499 E CB 0.187 29.923 29.700 0.059 0.000 0.967 499 E HN 0.212 nan 8.360 nan 0.000 0.435 500 P HA -0.061 nan 4.420 nan 0.000 0.268 500 P C -0.477 176.824 177.300 0.001 0.000 1.205 500 P CA 0.380 63.480 63.100 0.000 0.000 0.771 500 P CB 0.459 32.162 31.700 0.004 0.000 0.858 501 M N 1.955 121.552 119.600 -0.004 0.000 2.249 501 M HA 0.054 4.108 4.480 -0.710 0.000 0.340 501 M C 0.686 176.983 176.300 -0.006 0.000 1.166 501 M CA -0.115 55.179 55.300 -0.009 0.000 1.115 501 M CB 0.181 32.775 32.600 -0.009 0.000 1.606 501 M HN 0.172 nan 8.290 nan 0.000 0.448 502 V N 0.046 119.955 119.914 -0.008 0.000 3.376 502 V HA 0.164 3.858 4.120 -0.710 0.000 0.303 502 V C 0.299 176.387 176.094 -0.011 0.000 1.100 502 V CA -0.775 61.525 62.300 0.001 0.000 1.126 502 V CB 0.443 32.274 31.823 0.014 0.000 1.085 502 V HN 0.865 nan 8.190 nan 0.000 0.480 503 E N 1.304 121.499 120.200 -0.008 0.000 2.351 503 E HA 0.194 4.118 4.350 -0.710 0.000 0.266 503 E C 0.408 176.992 176.600 -0.027 0.000 1.031 503 E CA 0.162 56.552 56.400 -0.017 0.000 0.911 503 E CB 0.077 29.769 29.700 -0.014 0.000 0.986 503 E HN 0.709 nan 8.360 nan 0.000 0.446 504 R N 1.237 121.714 120.500 -0.038 0.000 3.951 504 R HA -0.198 3.716 4.340 -0.710 0.000 0.352 504 R C 0.233 176.491 176.300 -0.070 0.000 1.178 504 R CA 0.593 56.660 56.100 -0.055 0.000 0.949 504 R CB -1.859 28.410 30.300 -0.051 0.000 1.452 504 R HN 0.623 nan 8.270 nan 0.000 0.540 505 G N -1.006 107.758 108.800 -0.059 0.000 3.108 505 G HA2 0.629 4.163 3.960 -0.710 0.000 0.268 505 G HA3 0.629 4.163 3.960 -0.710 0.000 0.268 505 G C 0.144 175.013 174.900 -0.052 0.000 1.361 505 G CA -0.642 44.418 45.100 -0.067 0.000 1.047 505 G HN 0.018 nan 8.290 nan 0.000 0.540 506 R N -0.820 119.654 120.500 -0.042 0.000 2.566 506 R HA 0.247 4.161 4.340 -0.710 0.000 0.388 506 R C -0.066 176.194 176.300 -0.067 0.000 0.989 506 R CA -0.003 56.108 56.100 0.017 0.000 1.164 506 R CB 0.422 30.847 30.300 0.208 0.000 1.459 506 R HN 0.520 nan 8.270 nan 0.000 0.553 507 V N -3.293 116.527 119.914 -0.157 0.000 3.040 507 V HA 0.918 4.611 4.120 -0.710 0.000 0.312 507 V C 0.505 176.544 176.094 -0.091 0.000 1.115 507 V CA -1.107 61.078 62.300 -0.192 0.000 0.998 507 V CB 1.783 33.376 31.823 -0.385 0.000 1.042 507 V HN 0.051 nan 8.190 nan 0.000 0.433 508 G N 0.765 109.531 108.800 -0.056 0.000 2.621 508 G HA2 0.518 4.051 3.960 -0.710 0.000 0.271 508 G HA3 0.518 4.051 3.960 -0.710 0.000 0.271 508 G C -1.733 173.173 174.900 0.012 0.000 1.236 508 G CA -0.966 44.129 45.100 -0.008 0.000 0.958 508 G HN 0.640 nan 8.290 nan 0.000 0.512 509 P HA -0.132 nan 4.420 nan 0.000 0.215 509 P C 2.090 179.436 177.300 0.075 0.000 1.157 509 P CA 0.592 63.743 63.100 0.086 0.000 0.874 509 P CB 0.104 31.859 31.700 0.092 0.000 0.790 510 L N -1.148 120.115 121.223 0.066 0.000 2.005 510 L HA -0.113 3.800 4.340 -0.710 0.000 0.207 510 L C 2.286 179.156 176.870 -0.001 0.000 1.072 510 L CA 1.762 56.636 54.840 0.057 0.000 0.744 510 L CB -1.338 40.780 42.059 0.097 0.000 0.895 510 L HN -0.140 nan 8.230 nan 0.000 0.433 511 L N -0.547 120.667 121.223 -0.016 0.000 2.046 511 L HA -0.192 3.722 4.340 -0.710 0.000 0.208 511 L C 2.694 179.490 176.870 -0.122 0.000 1.077 511 L CA 1.183 55.984 54.840 -0.065 0.000 0.747 511 L CB -0.962 41.044 42.059 -0.089 0.000 0.896 511 L HN 0.409 nan 8.230 nan 0.000 0.432 512 A N -0.700 122.049 122.820 -0.118 0.000 1.948 512 A HA -0.313 3.581 4.320 -0.710 0.000 0.220 512 A C 2.518 179.861 177.584 -0.403 0.000 1.177 512 A CA 1.999 53.957 52.037 -0.131 0.000 0.636 512 A CB -1.216 17.798 19.000 0.024 0.000 0.815 512 A HN 0.655 nan 8.150 nan 0.000 0.449 513 c N -0.589 117.702 118.600 -0.516 0.000 2.489 513 c HA 0.041 4.185 4.570 -0.710 0.000 0.279 513 c C 2.567 176.251 174.090 -0.677 0.000 1.266 513 c CA 1.093 56.719 56.329 -1.172 0.000 1.707 513 c CB -1.549 40.561 42.510 -0.667 0.000 2.059 513 c HN 0.565 nan 8.230 nan 0.000 0.481 514 L N 0.705 121.806 121.223 -0.203 0.000 1.989 514 L HA -0.151 3.763 4.340 -0.710 0.000 0.211 514 L C 2.766 179.722 176.870 0.143 0.000 1.071 514 L CA 1.730 56.622 54.840 0.088 0.000 0.749 514 L CB -0.705 41.387 42.059 0.056 0.000 0.890 514 L HN 0.402 nan 8.230 nan 0.000 0.431 515 L N -0.602 120.660 121.223 0.066 0.000 2.046 515 L HA -0.124 3.790 4.340 -0.710 0.000 0.208 515 L C 2.687 179.676 176.870 0.199 0.000 1.077 515 L CA 1.441 56.401 54.840 0.200 0.000 0.747 515 L CB -1.092 41.051 42.059 0.140 0.000 0.896 515 L HN 0.309 nan 8.230 nan 0.000 0.432 516 G N -0.464 108.332 108.800 -0.007 0.000 2.418 516 G HA2 -0.225 3.309 3.960 -0.710 0.000 0.217 516 G HA3 -0.225 3.309 3.960 -0.710 0.000 0.217 516 G C 1.745 176.704 174.900 0.098 0.000 1.158 516 G CA 0.442 45.570 45.100 0.047 0.000 0.771 516 G HN 0.250 nan 8.290 nan 0.000 0.545 517 R N -0.386 120.074 120.500 -0.066 0.000 2.081 517 R HA -0.088 3.825 4.340 -0.710 0.000 0.235 517 R C 2.654 179.000 176.300 0.077 0.000 1.131 517 R CA 1.628 57.723 56.100 -0.009 0.000 0.960 517 R CB -0.288 29.897 30.300 -0.192 0.000 0.856 517 R HN 0.394 nan 8.270 nan 0.000 0.436 518 Q N 0.212 120.080 119.800 0.114 0.000 2.016 518 Q HA -0.121 3.793 4.340 -0.710 0.000 0.200 518 Q C 1.692 177.583 176.000 -0.181 0.000 0.978 518 Q CA 1.725 57.470 55.803 -0.096 0.000 0.833 518 Q CB -0.241 28.078 28.738 -0.697 0.000 0.895 518 Q HN 0.186 nan 8.270 nan 0.000 0.427 519 F N 0.912 120.830 119.950 -0.053 0.000 2.171 519 F HA -0.171 3.909 4.527 -0.745 0.000 0.300 519 F C 2.502 178.457 175.800 0.258 0.000 1.090 519 F CA 1.662 59.717 58.000 0.092 0.000 1.293 519 F CB -0.625 38.350 39.000 -0.042 0.000 1.013 519 F HN 0.320 nan 8.300 nan 0.000 0.486 520 Q N 0.266 120.276 119.800 0.350 0.000 2.061 520 Q HA -0.267 3.647 4.340 -0.710 0.000 0.204 520 Q C 2.150 178.248 176.000 0.164 0.000 0.984 520 Q CA 1.947 57.906 55.803 0.260 0.000 0.846 520 Q CB -0.224 28.639 28.738 0.209 0.000 0.902 520 Q HN 0.488 nan 8.270 nan 0.000 0.421 521 Q N 0.282 120.162 119.800 0.132 0.000 2.050 521 Q HA -0.164 3.750 4.340 -0.710 0.000 0.202 521 Q C 2.297 178.377 176.000 0.134 0.000 0.980 521 Q CA 1.889 57.757 55.803 0.108 0.000 0.840 521 Q CB -0.353 28.447 28.738 0.104 0.000 0.898 521 Q HN 0.696 nan 8.270 nan 0.000 0.424 522 I N -1.626 119.031 120.570 0.144 0.000 2.493 522 I HA -0.189 3.555 4.170 -0.710 0.000 0.254 522 I C 2.457 178.722 176.117 0.246 0.000 1.160 522 I CA 1.131 62.559 61.300 0.213 0.000 1.445 522 I CB -0.287 37.834 38.000 0.201 0.000 1.086 522 I HN 0.031 nan 8.210 nan 0.000 0.433 523 R N 1.575 122.109 120.500 0.057 0.000 2.055 523 R HA -0.120 3.794 4.340 -0.710 0.000 0.226 523 R C 1.625 177.749 176.300 -0.294 0.000 1.135 523 R CA 1.945 57.737 56.100 -0.514 0.000 0.959 523 R CB -0.448 29.226 30.300 -1.044 0.000 0.854 523 R HN 0.339 nan 8.270 nan 0.000 0.431 524 D N -0.295 120.071 120.400 -0.056 0.000 2.178 524 D HA -0.066 4.148 4.640 -0.710 0.000 0.202 524 D C 1.404 177.824 176.300 0.201 0.000 0.974 524 D CA 1.461 55.507 54.000 0.076 0.000 0.841 524 D CB -0.253 40.572 40.800 0.042 0.000 0.953 524 D HN 0.514 nan 8.370 nan 0.000 0.478 525 G N -0.409 108.538 108.800 0.244 0.000 3.189 525 G HA2 -0.040 3.494 3.960 -0.710 0.000 0.225 525 G HA3 -0.040 3.494 3.960 -0.710 0.000 0.225 525 G C 0.030 175.273 174.900 0.572 0.000 1.159 525 G CA -0.245 45.077 45.100 0.370 0.000 0.763 525 G HN 0.001 nan 8.290 nan 0.000 0.549 526 D N 0.027 120.716 120.400 0.480 0.000 2.274 526 D HA 0.237 4.451 4.640 -0.710 0.000 0.239 526 D C 1.315 177.608 176.300 -0.012 0.000 1.104 526 D CA -0.708 53.492 54.000 0.333 0.000 0.840 526 D CB 1.447 42.524 40.800 0.461 0.000 1.100 526 D HN 0.041 nan 8.370 nan 0.000 0.477 527 R N 2.691 122.908 120.500 -0.470 0.000 2.148 527 R HA 0.018 3.932 4.340 -0.710 0.000 0.223 527 R C 0.739 176.605 176.300 -0.724 0.000 1.088 527 R CA 0.900 56.342 56.100 -1.096 0.000 0.985 527 R CB 0.050 29.651 30.300 -1.165 0.000 0.880 527 R HN 0.387 nan 8.270 nan 0.000 0.451 528 F N -0.371 119.458 119.950 -0.201 0.000 2.668 528 F HA 0.157 4.257 4.527 -0.711 0.000 0.297 528 F C 0.366 176.204 175.800 0.064 0.000 1.124 528 F CA -0.772 57.168 58.000 -0.100 0.000 1.353 528 F CB 0.011 38.929 39.000 -0.137 0.000 0.992 528 F HN 0.089 nan 8.300 nan 0.000 0.524 529 W N 2.948 124.277 121.300 0.049 0.000 2.231 529 W HA -0.147 4.082 4.660 -0.720 0.000 0.341 529 W C 1.303 177.879 176.519 0.094 0.000 1.298 529 W CA -0.459 56.919 57.345 0.054 0.000 1.266 529 W CB 0.445 29.841 29.460 -0.106 0.000 1.172 529 W HN 0.516 nan 8.180 nan 0.000 0.568 530 W N 4.298 125.233 121.300 -0.608 0.000 2.392 530 W HA -0.148 4.086 4.660 -0.711 0.000 0.279 530 W C 0.716 177.227 176.519 -0.013 0.000 1.225 530 W CA 1.292 58.545 57.345 -0.152 0.000 1.233 530 W CB -0.634 28.644 29.460 -0.303 0.000 1.122 530 W HN 0.474 nan 8.180 nan 0.000 0.561 531 E N 0.593 120.220 120.200 -0.956 0.000 2.447 531 E HA -0.082 3.842 4.350 -0.710 0.000 0.195 531 E C 0.295 176.898 176.600 0.004 0.000 1.028 531 E CA -0.265 55.719 56.400 -0.692 0.000 0.876 531 E CB -0.219 28.956 29.700 -0.875 0.000 0.885 531 E HN -0.030 nan 8.360 nan 0.000 0.500 532 N N 2.496 121.305 118.700 0.181 0.000 2.440 532 N HA 0.002 4.316 4.740 -0.710 0.000 0.265 532 N C -2.640 172.933 175.510 0.104 0.000 1.239 532 N CA -1.425 51.782 53.050 0.261 0.000 0.909 532 N CB 0.535 39.147 38.487 0.208 0.000 1.066 532 N HN -0.214 nan 8.380 nan 0.000 0.474 533 P HA 0.092 nan 4.420 nan 0.000 0.262 533 P C 0.710 178.007 177.300 -0.005 0.000 1.182 533 P CA 0.668 63.789 63.100 0.034 0.000 0.761 533 P CB 0.443 32.157 31.700 0.024 0.000 0.795 534 G N 1.249 110.041 108.800 -0.014 0.000 2.234 534 G HA2 -0.288 3.245 3.960 -0.710 0.000 0.235 534 G HA3 -0.288 3.245 3.960 -0.710 0.000 0.235 534 G C 0.931 175.775 174.900 -0.094 0.000 0.997 534 G CA 0.203 45.272 45.100 -0.053 0.000 0.623 534 G HN 0.390 nan 8.290 nan 0.000 0.514 535 V N -0.209 119.649 119.914 -0.093 0.000 2.346 535 V HA 0.342 4.036 4.120 -0.710 0.000 0.244 535 V C 1.253 177.140 176.094 -0.344 0.000 1.037 535 V CA 1.775 63.962 62.300 -0.188 0.000 1.029 535 V CB -0.348 31.402 31.823 -0.121 0.000 0.663 535 V HN 0.282 nan 8.190 nan 0.000 0.454 536 F N -0.276 119.690 119.950 0.026 0.000 2.561 536 F HA 0.494 4.594 4.527 -0.713 0.000 0.321 536 F C 0.781 176.548 175.800 -0.055 0.000 1.065 536 F CA -0.792 57.205 58.000 -0.006 0.000 0.934 536 F CB 1.562 40.600 39.000 0.062 0.000 1.215 536 F HN -0.059 nan 8.300 nan 0.000 0.471 537 T N -2.179 112.429 114.554 0.089 0.000 2.813 537 T HA 0.107 4.031 4.350 -0.710 0.000 0.297 537 T C 0.993 175.705 174.700 0.020 0.000 1.036 537 T CA -0.376 61.727 62.100 0.006 0.000 1.044 537 T CB 1.192 70.021 68.868 -0.066 0.000 0.993 537 T HN 0.849 nan 8.240 nan 0.000 0.535 538 E N 0.667 120.872 120.200 0.009 0.000 2.085 538 E HA -0.188 3.736 4.350 -0.710 0.000 0.194 538 E C 2.009 178.614 176.600 0.009 0.000 0.994 538 E CA 1.212 57.623 56.400 0.020 0.000 0.801 538 E CB -0.086 29.623 29.700 0.015 0.000 0.743 538 E HN 0.705 nan 8.360 nan 0.000 0.453 539 K N -0.018 120.369 120.400 -0.022 0.000 2.147 539 K HA -0.162 3.732 4.320 -0.710 0.000 0.205 539 K C 2.337 178.899 176.600 -0.064 0.000 1.049 539 K CA 1.324 57.594 56.287 -0.029 0.000 0.936 539 K CB -0.015 32.463 32.500 -0.036 0.000 0.722 539 K HN 0.228 nan 8.250 nan 0.000 0.446 540 Q N 0.071 119.769 119.800 -0.170 0.000 2.079 540 Q HA -0.119 3.795 4.340 -0.710 0.000 0.200 540 Q C 2.078 178.020 176.000 -0.096 0.000 0.974 540 Q CA 1.267 56.861 55.803 -0.349 0.000 0.840 540 Q CB 0.019 28.404 28.738 -0.589 0.000 0.898 540 Q HN 0.191 nan 8.270 nan 0.000 0.430 541 R N 0.402 120.909 120.500 0.012 0.000 2.092 541 R HA -0.112 3.802 4.340 -0.710 0.000 0.231 541 R C 1.535 177.939 176.300 0.172 0.000 1.119 541 R CA 1.278 57.475 56.100 0.162 0.000 0.970 541 R CB 0.084 30.509 30.300 0.209 0.000 0.864 541 R HN 0.219 nan 8.270 nan 0.000 0.440 542 D N -0.481 119.981 120.400 0.104 0.000 2.264 542 D HA -0.066 4.148 4.640 -0.710 0.000 0.208 542 D C 1.574 177.922 176.300 0.080 0.000 0.966 542 D CA 1.070 55.125 54.000 0.092 0.000 0.864 542 D CB 0.083 40.922 40.800 0.065 0.000 0.933 542 D HN 0.079 nan 8.370 nan 0.000 0.499 543 S N 0.011 115.766 115.700 0.092 0.000 2.377 543 S HA 0.051 4.095 4.470 -0.710 0.000 0.223 543 S C 2.097 176.733 174.600 0.061 0.000 1.030 543 S CA 0.196 58.464 58.200 0.113 0.000 0.970 543 S CB 0.053 63.404 63.200 0.250 0.000 0.830 543 S HN 0.215 nan 8.310 nan 0.000 0.473 544 L N 1.420 122.659 121.223 0.027 0.000 2.275 544 L HA -0.048 3.866 4.340 -0.710 0.000 0.215 544 L C 2.425 179.164 176.870 -0.219 0.000 1.119 544 L CA 0.826 55.589 54.840 -0.128 0.000 0.790 544 L CB -0.383 41.508 42.059 -0.279 0.000 0.919 544 L HN 0.340 nan 8.230 nan 0.000 0.443 545 Q N -0.184 119.560 119.800 -0.094 0.000 2.297 545 Q HA -0.147 3.767 4.340 -0.710 0.000 0.204 545 Q C 1.562 177.533 176.000 -0.048 0.000 0.962 545 Q CA 0.949 56.715 55.803 -0.062 0.000 0.879 545 Q CB 0.165 28.956 28.738 0.088 0.000 0.947 545 Q HN 0.405 nan 8.270 nan 0.000 0.462 546 K N 0.457 120.837 120.400 -0.033 0.000 2.374 546 K HA 0.070 3.964 4.320 -0.710 0.000 0.196 546 K C 0.241 176.822 176.600 -0.032 0.000 1.023 546 K CA -0.128 56.147 56.287 -0.020 0.000 1.103 546 K CB 0.633 33.133 32.500 -0.001 0.000 0.848 546 K HN 0.063 nan 8.250 nan 0.000 0.528 547 V N -0.109 119.774 119.914 -0.051 0.000 2.963 547 V HA 0.274 3.968 4.120 -0.710 0.000 0.306 547 V C -0.006 176.061 176.094 -0.045 0.000 1.077 547 V CA -0.548 61.745 62.300 -0.012 0.000 1.124 547 V CB 1.283 33.138 31.823 0.054 0.000 0.987 547 V HN 0.203 nan 8.190 nan 0.000 0.487 548 S N 2.521 118.231 115.700 0.015 0.000 2.570 548 S HA 0.542 4.586 4.470 -0.710 0.000 0.270 548 S C -0.146 174.499 174.600 0.076 0.000 1.149 548 S CA -0.408 57.786 58.200 -0.010 0.000 0.837 548 S CB 1.332 64.518 63.200 -0.023 0.000 1.124 548 S HN 0.830 nan 8.310 nan 0.000 0.465 549 F N 2.006 121.891 119.950 -0.108 0.000 2.293 549 F HA -0.006 4.098 4.527 -0.705 0.000 0.300 549 F C 2.369 178.130 175.800 -0.064 0.000 1.086 549 F CA 1.865 59.819 58.000 -0.077 0.000 1.375 549 F CB -0.302 38.506 39.000 -0.321 0.000 1.045 549 F HN 0.667 nan 8.300 nan 0.000 0.516 550 S N 0.203 115.929 115.700 0.042 0.000 2.359 550 S HA -0.273 3.770 4.470 -0.710 0.000 0.224 550 S C 1.962 176.518 174.600 -0.072 0.000 1.035 550 S CA 1.526 59.714 58.200 -0.022 0.000 1.018 550 S CB -0.444 62.723 63.200 -0.056 0.000 0.876 550 S HN 0.284 nan 8.310 nan 0.000 0.448 551 R N 1.148 121.609 120.500 -0.065 0.000 2.120 551 R HA 0.061 3.975 4.340 -0.710 0.000 0.234 551 R C 2.091 178.304 176.300 -0.146 0.000 1.123 551 R CA 0.814 56.867 56.100 -0.079 0.000 0.975 551 R CB -0.844 29.429 30.300 -0.044 0.000 0.866 551 R HN 0.388 nan 8.270 nan 0.000 0.446 552 L N 0.064 121.159 121.223 -0.213 0.000 2.017 552 L HA -0.078 3.836 4.340 -0.710 0.000 0.208 552 L C 1.933 178.590 176.870 -0.354 0.000 1.073 552 L CA 1.722 56.337 54.840 -0.375 0.000 0.745 552 L CB -0.279 41.426 42.059 -0.589 0.000 0.894 552 L HN 0.252 nan 8.230 nan 0.000 0.432 553 I N -1.664 118.707 120.570 -0.331 0.000 2.226 553 I HA -0.365 3.379 4.170 -0.710 0.000 0.245 553 I C 2.506 178.540 176.117 -0.138 0.000 1.100 553 I CA 1.298 62.477 61.300 -0.201 0.000 1.374 553 I CB -0.553 37.396 38.000 -0.086 0.000 1.057 553 I HN 0.360 nan 8.210 nan 0.000 0.413 554 c N 0.611 119.145 118.600 -0.111 0.000 2.429 554 c HA -0.164 3.980 4.570 -0.710 0.000 0.277 554 c C 2.355 176.381 174.090 -0.106 0.000 1.262 554 c CA 0.889 57.170 56.329 -0.079 0.000 1.733 554 c CB -0.975 41.501 42.510 -0.057 0.000 2.010 554 c HN 0.520 nan 8.230 nan 0.000 0.483 555 D N 0.209 120.526 120.400 -0.138 0.000 2.277 555 D HA -0.022 4.192 4.640 -0.710 0.000 0.208 555 D C 1.500 177.695 176.300 -0.175 0.000 0.962 555 D CA 0.915 54.828 54.000 -0.146 0.000 0.865 555 D CB -0.404 40.300 40.800 -0.159 0.000 0.939 555 D HN 0.547 nan 8.370 nan 0.000 0.510 556 N N -0.310 118.269 118.700 -0.202 0.000 2.171 556 N HA 0.016 4.330 4.740 -0.710 0.000 0.212 556 N C 0.396 175.758 175.510 -0.247 0.000 1.184 556 N CA 0.236 53.153 53.050 -0.221 0.000 0.888 556 N CB 1.661 40.013 38.487 -0.224 0.000 1.038 556 N HN 0.212 nan 8.380 nan 0.000 0.517 557 T N -2.913 111.493 114.554 -0.246 0.000 2.858 557 T HA 0.389 4.313 4.350 -0.710 0.000 0.285 557 T C 0.062 174.565 174.700 -0.328 0.000 1.052 557 T CA -0.467 61.476 62.100 -0.261 0.000 1.009 557 T CB 1.484 70.269 68.868 -0.139 0.000 1.241 557 T HN 0.010 nan 8.240 nan 0.000 0.542 558 H N -0.727 118.303 119.070 -0.066 0.000 2.507 558 H HA 0.460 4.591 4.556 -0.709 0.000 0.294 558 H C -0.142 175.147 175.328 -0.065 0.000 1.064 558 H CA -0.420 55.586 56.048 -0.070 0.000 1.138 558 H CB -0.285 29.418 29.762 -0.099 0.000 1.515 558 H HN 0.330 nan 8.280 nan 0.000 0.547 559 I N 1.287 121.869 120.570 0.020 0.000 2.441 559 I HA 0.003 3.747 4.170 -0.710 0.000 0.287 559 I C 1.202 177.357 176.117 0.064 0.000 1.049 559 I CA 0.160 61.478 61.300 0.030 0.000 1.381 559 I CB 1.502 39.518 38.000 0.027 0.000 1.409 559 I HN 0.300 nan 8.210 nan 0.000 0.523 560 T N 1.067 115.679 114.554 0.096 0.000 2.971 560 T HA 0.237 4.161 4.350 -0.710 0.000 0.252 560 T C 0.516 175.305 174.700 0.147 0.000 1.022 560 T CA -0.205 61.954 62.100 0.099 0.000 0.980 560 T CB 0.274 69.190 68.868 0.080 0.000 1.044 560 T HN 0.254 nan 8.240 nan 0.000 0.501 561 K N 2.840 123.384 120.400 0.239 0.000 2.339 561 K HA 0.650 4.544 4.320 -0.710 0.000 0.264 561 K C -0.632 176.248 176.600 0.467 0.000 0.986 561 K CA -0.555 55.930 56.287 0.331 0.000 0.866 561 K CB 2.224 34.966 32.500 0.402 0.000 1.103 561 K HN 0.334 nan 8.250 nan 0.000 0.441 562 V N 0.041 120.143 119.914 0.312 0.000 3.007 562 V HA 0.685 4.379 4.120 -0.710 0.000 0.311 562 V C -2.863 173.131 176.094 -0.167 0.000 1.120 562 V CA -2.780 59.620 62.300 0.166 0.000 0.980 562 V CB 2.165 34.034 31.823 0.076 0.000 1.033 562 V HN 0.393 nan 8.190 nan 0.000 0.429 563 P HA 0.505 nan 4.420 nan 0.000 0.279 563 P C 0.644 177.756 177.300 -0.312 0.000 1.252 563 P CA -0.490 62.284 63.100 -0.544 0.000 0.811 563 P CB 1.152 32.433 31.700 -0.699 0.000 1.035 564 L N 0.489 121.518 121.223 -0.325 0.000 2.131 564 L HA -0.010 3.904 4.340 -0.710 0.000 0.206 564 L C 0.825 177.363 176.870 -0.553 0.000 1.087 564 L CA 1.109 55.693 54.840 -0.427 0.000 0.767 564 L CB -0.518 41.227 42.059 -0.523 0.000 0.917 564 L HN 0.430 nan 8.230 nan 0.000 0.441 565 H N -0.422 118.590 119.070 -0.097 0.000 2.725 565 H HA 0.353 4.482 4.556 -0.712 0.000 0.283 565 H C 0.621 175.906 175.328 -0.073 0.000 1.110 565 H CA -0.091 55.931 56.048 -0.043 0.000 1.289 565 H CB 1.356 31.104 29.762 -0.022 0.000 1.400 565 H HN 0.041 nan 8.280 nan 0.000 0.493 566 A N 2.415 125.211 122.820 -0.039 0.000 2.119 566 A HA -0.023 3.871 4.320 -0.710 0.000 0.216 566 A C 1.117 178.560 177.584 -0.236 0.000 1.152 566 A CA 0.480 52.400 52.037 -0.194 0.000 0.708 566 A CB -0.379 18.458 19.000 -0.272 0.000 0.805 566 A HN 0.409 nan 8.150 nan 0.000 0.460 567 F N 0.425 120.384 119.950 0.015 0.000 2.797 567 F HA 0.113 4.206 4.527 -0.724 0.000 0.302 567 F C 1.378 177.190 175.800 0.019 0.000 1.130 567 F CA 0.402 58.438 58.000 0.061 0.000 1.387 567 F CB 0.050 39.120 39.000 0.116 0.000 1.107 567 F HN 0.438 nan 8.300 nan 0.000 0.577 568 Q N 0.216 120.091 119.800 0.124 0.000 2.306 568 Q HA 0.736 4.650 4.340 -0.710 0.000 0.269 568 Q C -0.495 175.523 176.000 0.030 0.000 1.053 568 Q CA -1.280 54.548 55.803 0.042 0.000 0.879 568 Q CB 1.665 30.411 28.738 0.013 0.000 1.344 568 Q HN 0.008 nan 8.270 nan 0.000 0.464 569 A N 2.023 124.858 122.820 0.024 0.000 2.484 569 A HA 0.236 4.130 4.320 -0.710 0.000 0.268 569 A C -0.874 176.739 177.584 0.048 0.000 1.114 569 A CA -0.197 51.869 52.037 0.048 0.000 0.780 569 A CB -0.851 18.178 19.000 0.048 0.000 1.061 569 A HN 0.753 nan 8.150 nan 0.000 0.505 570 N N 2.109 120.848 118.700 0.066 0.000 2.319 570 N HA 0.422 4.736 4.740 -0.710 0.000 0.305 570 N C -1.098 174.561 175.510 0.247 0.000 1.103 570 N CA -0.780 52.312 53.050 0.069 0.000 0.815 570 N CB 1.475 39.863 38.487 -0.165 0.000 1.288 570 N HN 0.683 nan 8.380 nan 0.000 0.493 571 N N 0.989 119.857 118.700 0.280 0.000 2.321 571 N HA 0.174 4.488 4.740 -0.710 0.000 0.299 571 N C -1.518 174.208 175.510 0.359 0.000 1.048 571 N CA -0.406 52.822 53.050 0.297 0.000 0.836 571 N CB 1.925 40.524 38.487 0.188 0.000 1.269 571 N HN 0.487 nan 8.380 nan 0.000 0.486 572 Y N 2.971 123.284 120.300 0.022 0.000 2.304 572 Y HA 0.311 4.435 4.550 -0.710 0.000 0.328 572 Y C -1.147 174.728 175.900 -0.040 0.000 1.123 572 Y CA -1.073 56.898 58.100 -0.216 0.000 1.218 572 Y CB 0.985 39.053 38.460 -0.653 0.000 1.207 572 Y HN 0.485 nan 8.280 nan 0.000 0.495 573 P HA -0.019 nan 4.420 nan 0.000 0.257 573 P C 1.145 178.280 177.300 -0.274 0.000 1.241 573 P CA 0.877 63.348 63.100 -1.049 0.000 0.816 573 P CB 0.051 31.136 31.700 -1.026 0.000 1.150 574 H N 1.493 120.481 119.070 -0.136 0.000 2.290 574 H HA -0.118 4.012 4.556 -0.710 0.000 0.298 574 H C 0.611 175.946 175.328 0.011 0.000 1.087 574 H CA 1.784 57.804 56.048 -0.047 0.000 1.291 574 H CB 0.065 29.815 29.762 -0.020 0.000 1.369 574 H HN -0.037 nan 8.280 nan 0.000 0.492 575 D N -0.129 120.208 120.400 -0.104 0.000 2.363 575 D HA -0.006 4.208 4.640 -0.710 0.000 0.220 575 D C -0.181 175.981 176.300 -0.229 0.000 0.994 575 D CA 0.309 54.166 54.000 -0.238 0.000 0.890 575 D CB -0.217 40.499 40.800 -0.141 0.000 0.906 575 D HN 0.128 nan 8.370 nan 0.000 0.530 576 F N 0.784 120.629 119.950 -0.175 0.000 2.404 576 F HA 0.280 4.380 4.527 -0.711 0.000 0.339 576 F C 0.698 176.438 175.800 -0.100 0.000 1.105 576 F CA -1.087 56.844 58.000 -0.115 0.000 1.087 576 F CB 1.365 40.323 39.000 -0.070 0.000 1.143 576 F HN -0.315 nan 8.300 nan 0.000 0.491 577 V N -0.512 119.442 119.914 0.067 0.000 3.074 577 V HA 0.563 4.257 4.120 -0.710 0.000 0.314 577 V C -0.711 175.424 176.094 0.068 0.000 1.117 577 V CA -1.136 61.184 62.300 0.033 0.000 1.014 577 V CB 1.769 33.573 31.823 -0.032 0.000 1.057 577 V HN 0.641 nan 8.190 nan 0.000 0.438 578 D N 0.901 121.333 120.400 0.052 0.000 2.400 578 D HA 0.133 4.346 4.640 -0.710 0.000 0.238 578 D C 1.020 177.338 176.300 0.030 0.000 1.157 578 D CA 0.457 54.489 54.000 0.054 0.000 0.889 578 D CB 1.233 42.056 40.800 0.039 0.000 1.199 578 D HN 0.732 nan 8.370 nan 0.000 0.436 579 c N 1.273 119.892 118.600 0.032 0.000 2.409 579 c HA -0.128 4.016 4.570 -0.710 0.000 0.284 579 c C 2.569 176.655 174.090 -0.006 0.000 1.354 579 c CA 1.145 57.479 56.329 0.009 0.000 1.787 579 c CB -1.528 40.987 42.510 0.008 0.000 1.900 579 c HN 0.747 nan 8.230 nan 0.000 0.520 580 S N 0.961 116.660 115.700 -0.001 0.000 2.474 580 S HA 0.024 4.067 4.470 -0.710 0.000 0.235 580 S C 1.689 176.282 174.600 -0.012 0.000 0.997 580 S CA 1.077 59.273 58.200 -0.006 0.000 0.949 580 S CB -0.302 62.898 63.200 -0.001 0.000 0.766 580 S HN 0.642 nan 8.310 nan 0.000 0.517 581 A N 0.821 123.632 122.820 -0.016 0.000 2.218 581 A HA 0.487 4.380 4.320 -0.710 0.000 0.209 581 A C 0.693 178.254 177.584 -0.039 0.000 1.168 581 A CA -0.043 51.978 52.037 -0.026 0.000 0.804 581 A CB -0.102 18.880 19.000 -0.030 0.000 0.834 581 A HN 0.371 nan 8.150 nan 0.000 0.482 582 V N 2.081 121.971 119.914 -0.039 0.000 2.407 582 V HA 0.163 3.856 4.120 -0.710 0.000 0.278 582 V C -0.712 175.359 176.094 -0.038 0.000 1.037 582 V CA -1.110 61.160 62.300 -0.050 0.000 0.900 582 V CB 1.192 32.983 31.823 -0.054 0.000 0.983 582 V HN 0.306 nan 8.190 nan 0.000 0.459 583 D N 4.559 124.937 120.400 -0.037 0.000 2.493 583 D HA 0.103 4.317 4.640 -0.710 0.000 0.240 583 D C 0.303 176.587 176.300 -0.028 0.000 1.142 583 D CA 0.422 54.406 54.000 -0.026 0.000 0.872 583 D CB 0.728 41.516 40.800 -0.020 0.000 1.173 583 D HN 0.478 nan 8.370 nan 0.000 0.467 584 K N 1.007 121.392 120.400 -0.025 0.000 2.098 584 K HA 0.324 4.218 4.320 -0.710 0.000 0.257 584 K C -0.013 176.571 176.600 -0.027 0.000 0.999 584 K CA -1.015 55.252 56.287 -0.032 0.000 0.924 584 K CB 0.937 33.417 32.500 -0.033 0.000 1.028 584 K HN 0.201 nan 8.250 nan 0.000 0.466 585 L N 2.139 123.335 121.223 -0.044 0.000 2.283 585 L HA 0.119 4.033 4.340 -0.710 0.000 0.287 585 L C -0.600 176.248 176.870 -0.035 0.000 1.073 585 L CA 0.020 54.834 54.840 -0.044 0.000 0.822 585 L CB 0.236 42.241 42.059 -0.089 0.000 1.186 585 L HN 0.437 nan 8.230 nan 0.000 0.436 586 D N 4.487 124.899 120.400 0.019 0.000 2.317 586 D HA 0.152 4.366 4.640 -0.710 0.000 0.252 586 D C 0.428 176.802 176.300 0.123 0.000 1.174 586 D CA 0.123 54.155 54.000 0.053 0.000 0.866 586 D CB 0.863 41.706 40.800 0.071 0.000 1.127 586 D HN 0.664 nan 8.370 nan 0.000 0.467 587 L N 2.863 124.132 121.223 0.077 0.000 2.700 587 L HA 0.091 4.005 4.340 -0.710 0.000 0.234 587 L C 1.990 179.038 176.870 0.297 0.000 1.156 587 L CA -0.182 54.746 54.840 0.146 0.000 0.946 587 L CB 0.081 42.062 42.059 -0.130 0.000 1.216 587 L HN 0.275 nan 8.230 nan 0.000 0.493 588 S N 1.353 117.177 115.700 0.206 0.000 2.365 588 S HA -0.108 3.936 4.470 -0.710 0.000 0.225 588 S C -0.609 174.094 174.600 0.171 0.000 1.039 588 S CA 1.449 59.736 58.200 0.146 0.000 1.033 588 S CB -0.921 62.331 63.200 0.088 0.000 0.887 588 S HN 0.359 nan 8.310 nan 0.000 0.447 589 P HA -0.015 nan 4.420 nan 0.000 0.239 589 P C 0.566 177.857 177.300 -0.015 0.000 1.184 589 P CA 0.603 63.722 63.100 0.032 0.000 0.760 589 P CB -0.111 31.528 31.700 -0.103 0.000 0.884 590 W N -0.137 121.200 121.300 0.061 0.000 3.139 590 W HA 0.350 4.584 4.660 -0.711 0.000 0.260 590 W C 0.453 176.963 176.519 -0.014 0.000 1.312 590 W CA -0.313 57.089 57.345 0.095 0.000 1.606 590 W CB 0.033 29.562 29.460 0.114 0.000 1.118 590 W HN -0.126 nan 8.180 nan 0.000 0.675 591 A N 1.427 124.320 122.820 0.122 0.000 2.396 591 A HA 0.328 4.222 4.320 -0.710 0.000 0.279 591 A C 0.082 177.681 177.584 0.025 0.000 1.165 591 A CA 0.426 52.457 52.037 -0.010 0.000 0.824 591 A CB 0.408 19.406 19.000 -0.003 0.000 1.100 591 A HN -0.056 nan 8.150 nan 0.000 0.516 592 S N 2.113 117.828 115.700 0.025 0.000 2.537 592 S HA 0.701 4.745 4.470 -0.710 0.000 0.301 592 S C -0.348 174.325 174.600 0.121 0.000 1.092 592 S CA -0.795 57.480 58.200 0.125 0.000 1.048 592 S CB 0.597 63.961 63.200 0.273 0.000 1.053 592 S HN 0.711 nan 8.310 nan 0.000 0.501 593 R N 2.166 122.712 120.500 0.076 0.000 2.670 593 R HA 0.264 4.178 4.340 -0.710 0.000 0.289 593 R C 1.173 177.473 176.300 0.001 0.000 0.965 593 R CA -0.548 55.558 56.100 0.010 0.000 0.899 593 R CB 1.420 31.718 30.300 -0.004 0.000 1.173 593 R HN 0.973 nan 8.270 nan 0.000 0.456 594 E N 1.892 122.053 120.200 -0.066 0.000 2.026 594 E HA -0.214 3.710 4.350 -0.710 0.000 0.206 594 E C 0.123 176.718 176.600 -0.009 0.000 1.028 594 E CA 1.018 57.389 56.400 -0.047 0.000 0.845 594 E CB -0.236 29.410 29.700 -0.090 0.000 0.772 594 E HN 0.421 nan 8.360 nan 0.000 0.462 595 N N 0.000 118.691 118.700 -0.015 0.000 1.763 595 N HA 0.000 4.314 4.740 -0.710 0.000 0.220 595 N CA 0.000 53.048 53.050 -0.004 0.000 0.885 595 N CB 0.000 38.482 38.487 -0.008 0.000 1.341 595 N HN 0.000 nan 8.380 nan 0.000 0.667