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 3nak_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 0.000 174.479 174.600 -0.202 0.000 1.055 1 S CA 0.000 57.941 58.200 -0.432 0.000 1.107 1 S CB 0.000 62.912 63.200 -0.480 0.000 0.593 2 W N 1.661 122.970 121.300 0.015 0.000 3.078 2 W HA -0.080 4.250 4.660 -0.550 0.000 0.276 2 W C -0.278 176.241 176.519 -0.000 0.000 0.557 2 W CA 0.359 57.710 57.345 0.010 0.000 0.459 2 W CB -1.635 27.830 29.460 0.008 0.000 2.859 2 W HN 0.796 nan 8.180 nan 0.000 0.416 3 E N 0.722 121.060 120.200 0.230 0.000 2.415 3 E HA 0.165 4.185 4.350 -0.549 0.000 0.262 3 E C 0.701 177.436 176.600 0.225 0.000 1.038 3 E CA 0.069 56.595 56.400 0.210 0.000 0.921 3 E CB 1.021 30.762 29.700 0.069 0.000 0.950 3 E HN 0.388 nan 8.360 nan 0.000 0.438 4 V N 1.742 121.686 119.914 0.050 0.000 2.871 4 V HA 0.053 3.844 4.120 -0.549 0.000 0.256 4 V C 0.844 176.951 176.094 0.020 0.000 1.082 4 V CA 1.872 64.162 62.300 -0.017 0.000 1.105 4 V CB -0.016 31.583 31.823 -0.373 0.000 0.713 4 V HN 0.736 nan 8.190 nan 0.000 0.473 5 G N -0.832 107.970 108.800 0.003 0.000 4.101 5 G HA2 0.264 3.895 3.960 -0.549 0.000 0.262 5 G HA3 0.264 3.895 3.960 -0.549 0.000 0.262 5 G C -0.457 174.445 174.900 0.003 0.000 1.181 5 G CA 0.204 45.309 45.100 0.009 0.000 0.640 5 G HN 0.282 nan 8.290 nan 0.000 0.467 6 c N 0.399 119.008 118.600 0.014 0.000 2.633 6 c HA 0.834 5.075 4.570 -0.549 0.000 0.345 6 c C 1.514 175.598 174.090 -0.011 0.000 1.384 6 c CA 1.771 58.097 56.329 -0.006 0.000 2.418 6 c CB 0.048 42.556 42.510 -0.004 0.000 2.425 6 c HN 2.055 nan 8.230 nan 0.000 0.705 7 G N 0.839 109.622 108.800 -0.029 0.000 2.781 7 G HA2 0.409 4.040 3.960 -0.549 0.000 0.683 7 G HA3 0.409 4.040 3.960 -0.549 0.000 0.683 7 G C -0.780 174.102 174.900 -0.030 0.000 1.390 7 G CA -0.133 44.946 45.100 -0.035 0.000 0.850 7 G HN 1.995 nan 8.290 nan 0.000 0.557 8 A N 1.674 124.472 122.820 -0.036 0.000 2.319 8 A HA 0.928 4.918 4.320 -0.549 0.000 0.310 8 A C -0.759 176.809 177.584 -0.026 0.000 1.152 8 A CA -0.070 51.950 52.037 -0.028 0.000 0.783 8 A CB 1.674 20.655 19.000 -0.031 0.000 1.184 8 A HN 0.964 nan 8.150 nan 0.000 0.474 9 P HA 0.431 nan 4.420 nan 0.000 0.304 9 P C -0.620 176.677 177.300 -0.004 0.000 1.355 9 P CA -0.082 63.014 63.100 -0.007 0.000 0.838 9 P CB 0.263 31.967 31.700 0.007 0.000 2.121 10 V N 2.280 122.198 119.914 0.007 0.000 2.259 10 V HA 0.196 3.987 4.120 -0.549 0.000 0.267 10 V C -1.826 174.274 176.094 0.011 0.000 1.051 10 V CA -0.834 61.472 62.300 0.009 0.000 0.830 10 V CB 0.614 32.447 31.823 0.017 0.000 1.080 10 V HN 0.374 nan 8.190 nan 0.000 0.467 11 P HA 0.047 nan 4.420 nan 0.000 0.247 11 P C 0.027 177.332 177.300 0.008 0.000 1.225 11 P CA 0.312 63.415 63.100 0.005 0.000 0.768 11 P CB -0.159 31.540 31.700 -0.001 0.000 1.020 12 L N -3.398 117.832 121.223 0.010 0.000 2.556 12 L HA 0.581 4.591 4.340 -0.549 0.000 0.243 12 L C -0.899 175.980 176.870 0.015 0.000 1.331 12 L CA -0.703 54.144 54.840 0.011 0.000 0.927 12 L CB 0.930 42.993 42.059 0.007 0.000 1.219 12 L HN -0.408 nan 8.230 nan 0.000 0.490 13 V N 0.617 120.543 119.914 0.020 0.000 2.577 13 V HA 0.622 4.413 4.120 -0.549 0.000 0.294 13 V C 0.056 176.166 176.094 0.027 0.000 1.052 13 V CA 0.084 62.399 62.300 0.025 0.000 0.891 13 V CB 2.063 33.905 31.823 0.031 0.000 1.017 13 V HN 0.722 nan 8.190 nan 0.000 0.436 14 T N 0.718 115.286 114.554 0.024 0.000 2.888 14 T HA 0.590 4.610 4.350 -0.549 0.000 0.284 14 T C -0.051 174.666 174.700 0.028 0.000 1.017 14 T CA -0.620 61.495 62.100 0.025 0.000 1.022 14 T CB 1.466 70.346 68.868 0.019 0.000 1.013 14 T HN 0.547 nan 8.240 nan 0.000 0.465 15 c N 2.194 120.813 118.600 0.031 0.000 2.539 15 c HA 0.342 4.582 4.570 -0.549 0.000 0.392 15 c C 1.798 175.905 174.090 0.029 0.000 1.269 15 c CA -0.339 56.011 56.329 0.036 0.000 2.250 15 c CB 0.194 42.731 42.510 0.045 0.000 2.584 15 c HN 1.078 nan 8.230 nan 0.000 0.589 16 D N -0.136 120.282 120.400 0.030 0.000 2.277 16 D HA -0.037 4.274 4.640 -0.549 0.000 0.209 16 D C 1.316 177.627 176.300 0.019 0.000 0.970 16 D CA 0.635 54.648 54.000 0.022 0.000 0.874 16 D CB 0.145 40.958 40.800 0.021 0.000 0.982 16 D HN 0.819 nan 8.370 nan 0.000 0.504 17 E N -1.025 119.193 120.200 0.030 0.000 3.811 17 E HA -0.261 3.759 4.350 -0.549 0.000 0.301 17 E C 1.021 177.621 176.600 0.001 0.000 0.657 17 E CA 1.297 57.712 56.400 0.025 0.000 1.066 17 E CB -0.679 29.034 29.700 0.022 0.000 1.589 17 E HN 0.289 nan 8.360 nan 0.000 0.431 18 Q N -0.279 119.515 119.800 -0.010 0.000 2.247 18 Q HA 0.193 4.204 4.340 -0.549 0.000 0.211 18 Q C 0.402 176.364 176.000 -0.063 0.000 0.861 18 Q CA 0.248 56.029 55.803 -0.036 0.000 0.949 18 Q CB 1.336 30.056 28.738 -0.030 0.000 1.115 18 Q HN 0.099 nan 8.270 nan 0.000 0.507 19 S N 2.512 118.183 115.700 -0.047 0.000 2.548 19 S HA 0.265 4.406 4.470 -0.549 0.000 0.277 19 S C -2.007 172.513 174.600 -0.133 0.000 1.315 19 S CA -1.129 57.008 58.200 -0.105 0.000 1.050 19 S CB 0.797 63.979 63.200 -0.030 0.000 0.918 19 S HN -0.051 nan 8.310 nan 0.000 0.497 20 P HA 0.255 nan 4.420 nan 0.000 0.249 20 P C -1.261 175.896 177.300 -0.238 0.000 1.544 20 P CA 0.118 63.018 63.100 -0.333 0.000 0.932 20 P CB -0.415 30.965 31.700 -0.534 0.000 1.524 21 Y N -0.156 120.183 120.300 0.065 0.000 2.425 21 Y HA 0.446 4.666 4.550 -0.549 0.000 0.344 21 Y C 0.928 176.544 175.900 -0.473 0.000 0.969 21 Y CA -1.602 56.392 58.100 -0.175 0.000 1.052 21 Y CB 2.017 40.397 38.460 -0.132 0.000 1.215 21 Y HN -0.306 nan 8.280 nan 0.000 0.451 22 R N 0.736 120.881 120.500 -0.591 0.000 2.543 22 R HA 0.217 4.228 4.340 -0.549 0.000 0.277 22 R C -0.039 176.092 176.300 -0.282 0.000 1.074 22 R CA -0.428 55.250 56.100 -0.703 0.000 1.076 22 R CB 0.200 30.112 30.300 -0.648 0.000 0.993 22 R HN 0.641 nan 8.270 nan 0.000 0.459 23 T N -0.180 114.257 114.554 -0.196 0.000 2.907 23 T HA 0.118 4.139 4.350 -0.549 0.000 0.298 23 T C 1.684 176.366 174.700 -0.029 0.000 1.017 23 T CA -0.844 61.218 62.100 -0.065 0.000 1.118 23 T CB 0.633 69.490 68.868 -0.018 0.000 0.948 23 T HN 0.349 nan 8.240 nan 0.000 0.531 24 I N 2.871 123.449 120.570 0.013 0.000 2.194 24 I HA -0.200 3.641 4.170 -0.549 0.000 0.246 24 I C 2.857 179.017 176.117 0.071 0.000 1.093 24 I CA 2.259 63.590 61.300 0.052 0.000 1.355 24 I CB -1.690 36.354 38.000 0.074 0.000 1.046 24 I HN 0.958 nan 8.210 nan 0.000 0.413 25 T N -1.932 112.661 114.554 0.065 0.000 3.035 25 T HA 0.124 4.145 4.350 -0.549 0.000 0.268 25 T C 1.640 176.413 174.700 0.122 0.000 1.109 25 T CA 0.923 63.073 62.100 0.083 0.000 1.119 25 T CB -0.085 68.823 68.868 0.067 0.000 0.900 25 T HN 0.531 nan 8.240 nan 0.000 0.503 26 G N 1.170 110.042 108.800 0.122 0.000 2.175 26 G HA2 -0.207 3.424 3.960 -0.549 0.000 0.244 26 G HA3 -0.207 3.424 3.960 -0.549 0.000 0.244 26 G C -0.168 174.867 174.900 0.224 0.000 0.982 26 G CA 0.035 45.267 45.100 0.221 0.000 0.641 26 G HN 0.577 nan 8.290 nan 0.000 0.527 27 D N -0.795 119.685 120.400 0.134 0.000 2.354 27 D HA 0.301 4.612 4.640 -0.549 0.000 0.238 27 D C 1.600 177.954 176.300 0.089 0.000 1.250 27 D CA 0.961 55.032 54.000 0.119 0.000 0.911 27 D CB 0.684 41.532 40.800 0.081 0.000 1.163 27 D HN 0.670 nan 8.370 nan 0.000 0.456 28 c N 0.382 119.042 118.600 0.100 0.000 4.320 28 c HA -0.174 4.067 4.570 -0.549 0.000 0.281 28 c C 1.986 176.140 174.090 0.108 0.000 1.432 28 c CA 0.186 56.569 56.329 0.090 0.000 1.884 28 c CB -2.557 39.992 42.510 0.064 0.000 1.378 28 c HN 0.728 nan 8.230 nan 0.000 0.771 29 N N 1.324 120.085 118.700 0.102 0.000 2.106 29 N HA -0.104 4.306 4.740 -0.549 0.000 0.188 29 N C 0.534 176.145 175.510 0.167 0.000 1.029 29 N CA 1.157 54.257 53.050 0.084 0.000 0.848 29 N CB -0.065 38.335 38.487 -0.145 0.000 1.007 29 N HN 0.778 nan 8.380 nan 0.000 0.423 30 N N 0.956 119.792 118.700 0.227 0.000 2.422 30 N HA 0.087 4.498 4.740 -0.549 0.000 0.266 30 N C 0.626 176.242 175.510 0.177 0.000 1.007 30 N CA -0.136 53.066 53.050 0.253 0.000 0.941 30 N CB 0.897 39.545 38.487 0.269 0.000 1.115 30 N HN 0.156 nan 8.380 nan 0.000 0.492 31 R N 2.388 122.986 120.500 0.163 0.000 2.115 31 R HA -0.054 3.957 4.340 -0.549 0.000 0.226 31 R C 1.971 178.325 176.300 0.090 0.000 1.100 31 R CA 1.001 57.167 56.100 0.111 0.000 0.980 31 R CB 0.131 30.489 30.300 0.097 0.000 0.875 31 R HN 0.572 nan 8.270 nan 0.000 0.445 32 R N 0.182 120.738 120.500 0.094 0.000 2.052 32 R HA 0.007 4.018 4.340 -0.549 0.000 0.226 32 R C 0.403 176.746 176.300 0.072 0.000 1.145 32 R CA 1.263 57.405 56.100 0.070 0.000 0.952 32 R CB 0.063 30.398 30.300 0.059 0.000 0.847 32 R HN -0.028 nan 8.270 nan 0.000 0.431 33 S N 1.047 116.802 115.700 0.092 0.000 2.532 33 S HA 0.339 4.480 4.470 -0.549 0.000 0.256 33 S C -2.047 172.621 174.600 0.113 0.000 1.298 33 S CA -1.776 56.479 58.200 0.091 0.000 1.166 33 S CB 1.750 65.005 63.200 0.091 0.000 1.022 33 S HN 0.195 nan 8.310 nan 0.000 0.480 34 P HA 0.132 nan 4.420 nan 0.000 0.233 34 P C 0.791 178.165 177.300 0.122 0.000 1.167 34 P CA 0.365 63.532 63.100 0.113 0.000 0.770 34 P CB 0.127 31.877 31.700 0.084 0.000 0.837 35 A N -0.687 122.198 122.820 0.108 0.000 2.275 35 A HA 0.159 4.150 4.320 -0.549 0.000 0.212 35 A C 0.814 178.472 177.584 0.123 0.000 1.201 35 A CA -0.119 51.981 52.037 0.105 0.000 0.843 35 A CB -0.733 18.311 19.000 0.074 0.000 0.873 35 A HN 0.103 nan 8.150 nan 0.000 0.492 36 L N 0.758 122.071 121.223 0.151 0.000 2.433 36 L HA 0.486 4.497 4.340 -0.549 0.000 0.275 36 L C 1.304 178.287 176.870 0.189 0.000 1.128 36 L CA 1.376 56.307 54.840 0.152 0.000 0.875 36 L CB 0.035 42.197 42.059 0.171 0.000 1.171 36 L HN 0.623 nan 8.230 nan 0.000 0.463 37 G N 2.841 111.668 108.800 0.044 0.000 2.175 37 G HA2 -0.189 3.442 3.960 -0.549 0.000 0.244 37 G HA3 -0.189 3.442 3.960 -0.549 0.000 0.244 37 G C 0.535 175.413 174.900 -0.035 0.000 0.982 37 G CA 0.245 45.221 45.100 -0.206 0.000 0.641 37 G HN 1.057 nan 8.290 nan 0.000 0.527 38 A N 0.050 122.942 122.820 0.120 0.000 2.281 38 A HA 0.871 4.862 4.320 -0.549 0.000 0.271 38 A C 1.024 178.656 177.584 0.080 0.000 1.196 38 A CA 1.105 53.229 52.037 0.145 0.000 0.807 38 A CB 0.164 19.239 19.000 0.125 0.000 1.138 38 A HN 2.091 nan 8.150 nan 0.000 0.506 39 A N -1.050 121.820 122.820 0.082 0.000 2.294 39 A HA 0.586 4.577 4.320 -0.549 0.000 0.330 39 A C 0.430 178.036 177.584 0.038 0.000 1.133 39 A CA -0.307 51.766 52.037 0.060 0.000 0.836 39 A CB 0.137 19.181 19.000 0.075 0.000 1.190 39 A HN 1.144 nan 8.150 nan 0.000 0.492 40 N N -0.196 118.516 118.700 0.020 0.000 2.780 40 N HA -0.122 4.289 4.740 -0.549 0.000 0.248 40 N C -0.541 174.966 175.510 -0.005 0.000 1.102 40 N CA 1.319 54.366 53.050 -0.004 0.000 0.697 40 N CB -0.794 37.689 38.487 -0.008 0.000 1.028 40 N HN 0.793 nan 8.380 nan 0.000 0.554 41 R N -0.607 119.896 120.500 0.004 0.000 2.836 41 R HA 0.716 4.727 4.340 -0.549 0.000 0.269 41 R C -0.190 176.119 176.300 0.015 0.000 1.010 41 R CA -0.542 55.565 56.100 0.011 0.000 0.930 41 R CB 0.898 31.213 30.300 0.025 0.000 1.218 41 R HN 0.102 nan 8.270 nan 0.000 0.473 42 A N 1.935 124.771 122.820 0.027 0.000 2.584 42 A HA 0.092 4.083 4.320 -0.549 0.000 0.239 42 A C 0.442 178.049 177.584 0.039 0.000 1.043 42 A CA 0.007 52.069 52.037 0.040 0.000 0.756 42 A CB -0.313 18.722 19.000 0.058 0.000 0.963 42 A HN 0.537 nan 8.150 nan 0.000 0.511 43 L N 1.863 123.111 121.223 0.041 0.000 2.525 43 L HA 0.207 4.218 4.340 -0.549 0.000 0.278 43 L C 1.237 178.127 176.870 0.035 0.000 1.218 43 L CA 0.094 54.952 54.840 0.030 0.000 0.878 43 L CB 0.046 42.138 42.059 0.055 0.000 1.127 43 L HN 0.846 nan 8.230 nan 0.000 0.492 44 A N 4.971 127.795 122.820 0.006 0.000 2.466 44 A HA 0.281 4.272 4.320 -0.549 0.000 0.238 44 A C 0.144 177.752 177.584 0.039 0.000 1.074 44 A CA -0.165 51.900 52.037 0.047 0.000 0.774 44 A CB 0.169 19.212 19.000 0.071 0.000 1.015 44 A HN 0.670 nan 8.150 nan 0.000 0.498 45 R N 1.485 122.069 120.500 0.140 0.000 2.288 45 R HA 0.134 4.144 4.340 -0.549 0.000 0.326 45 R C -0.277 176.237 176.300 0.356 0.000 0.959 45 R CA -0.405 55.805 56.100 0.184 0.000 0.834 45 R CB 0.823 31.222 30.300 0.164 0.000 1.157 45 R HN 0.960 nan 8.270 nan 0.000 0.470 46 W N 2.118 123.524 121.300 0.175 0.000 2.476 46 W HA 0.130 4.466 4.660 -0.541 0.000 0.281 46 W C 0.537 177.137 176.519 0.136 0.000 1.230 46 W CA 0.350 57.805 57.345 0.183 0.000 1.287 46 W CB 0.053 29.578 29.460 0.110 0.000 1.108 46 W HN 0.262 nan 8.180 nan 0.000 0.567 47 L N 0.004 121.397 121.223 0.282 0.000 2.388 47 L HA 0.347 4.358 4.340 -0.549 0.000 0.264 47 L C -2.168 174.717 176.870 0.025 0.000 0.998 47 L CA -2.088 52.759 54.840 0.011 0.000 0.817 47 L CB 2.110 43.892 42.059 -0.462 0.000 1.338 47 L HN -0.499 nan 8.230 nan 0.000 0.414 48 P HA 0.075 nan 4.420 nan 0.000 0.265 48 P C -0.562 176.732 177.300 -0.011 0.000 1.193 48 P CA -0.178 62.930 63.100 0.014 0.000 0.765 48 P CB 0.601 32.300 31.700 -0.001 0.000 0.823 49 A N 3.209 126.036 122.820 0.012 0.000 2.520 49 A HA 0.064 4.054 4.320 -0.549 0.000 0.235 49 A C 0.198 177.698 177.584 -0.141 0.000 1.065 49 A CA 0.175 52.168 52.037 -0.073 0.000 0.764 49 A CB -0.155 18.846 19.000 0.002 0.000 1.002 49 A HN 0.567 nan 8.150 nan 0.000 0.502 50 E N 0.929 120.957 120.200 -0.287 0.000 2.207 50 E HA 0.436 4.457 4.350 -0.549 0.000 0.250 50 E C -1.778 174.693 176.600 -0.216 0.000 0.890 50 E CA -0.025 56.312 56.400 -0.107 0.000 0.749 50 E CB 1.165 30.893 29.700 0.045 0.000 1.193 50 E HN 0.621 nan 8.360 nan 0.000 0.423 51 Y N 0.504 120.826 120.300 0.036 0.000 2.524 51 Y HA 0.088 4.308 4.550 -0.550 0.000 0.344 51 Y C 1.635 177.191 175.900 -0.574 0.000 1.012 51 Y CA -0.960 56.971 58.100 -0.281 0.000 1.068 51 Y CB 1.303 39.618 38.460 -0.242 0.000 1.249 51 Y HN 0.485 nan 8.280 nan 0.000 0.468 52 E N -0.194 119.469 120.200 -0.895 0.000 2.106 52 E HA -0.197 3.824 4.350 -0.549 0.000 0.192 52 E C 0.547 176.988 176.600 -0.266 0.000 0.984 52 E CA 1.790 57.733 56.400 -0.763 0.000 0.806 52 E CB -0.100 29.176 29.700 -0.706 0.000 0.750 52 E HN 0.746 nan 8.360 nan 0.000 0.458 53 D N -0.101 120.163 120.400 -0.227 0.000 2.340 53 D HA 0.050 4.361 4.640 -0.549 0.000 0.220 53 D C 1.424 177.672 176.300 -0.086 0.000 1.039 53 D CA 0.658 54.569 54.000 -0.148 0.000 0.866 53 D CB 0.281 40.963 40.800 -0.197 0.000 0.913 53 D HN 0.405 nan 8.370 nan 0.000 0.523 54 G N 0.351 109.131 108.800 -0.034 0.000 2.220 54 G HA2 -0.332 3.298 3.960 -0.549 0.000 0.269 54 G HA3 -0.332 3.298 3.960 -0.549 0.000 0.269 54 G C 0.826 175.779 174.900 0.088 0.000 0.977 54 G CA 0.746 45.875 45.100 0.047 0.000 0.634 54 G HN 0.462 nan 8.290 nan 0.000 0.539 55 L N -2.178 119.027 121.223 -0.030 0.000 2.586 55 L HA 0.632 4.642 4.340 -0.549 0.000 0.204 55 L C 2.310 178.845 176.870 -0.558 0.000 1.053 55 L CA 1.338 56.087 54.840 -0.152 0.000 0.856 55 L CB 0.221 42.179 42.059 -0.168 0.000 1.192 55 L HN 0.517 nan 8.230 nan 0.000 0.484 56 A N -1.553 120.728 122.820 -0.898 0.000 2.233 56 A HA 0.241 4.231 4.320 -0.549 0.000 0.163 56 A C 0.139 177.025 177.584 -1.163 0.000 1.845 56 A CA -0.083 51.163 52.037 -1.318 0.000 1.390 56 A CB 0.382 18.905 19.000 -0.796 0.000 1.601 56 A HN -0.072 nan 8.150 nan 0.000 0.398 57 V N 3.450 122.893 119.914 -0.785 0.000 2.508 57 V HA 0.287 4.078 4.120 -0.549 0.000 0.281 57 V C -2.374 173.479 176.094 -0.402 0.000 1.041 57 V CA -1.244 60.610 62.300 -0.742 0.000 1.016 57 V CB 0.702 32.091 31.823 -0.723 0.000 0.984 57 V HN 0.268 nan 8.190 nan 0.000 0.478 58 P HA 0.175 nan 4.420 nan 0.000 0.272 58 P C -0.546 176.749 177.300 -0.007 0.000 1.230 58 P CA -0.376 62.693 63.100 -0.052 0.000 0.788 58 P CB 0.371 31.949 31.700 -0.203 0.000 0.949 59 F N 1.250 121.299 119.950 0.165 0.000 2.502 59 F HA 0.376 4.573 4.527 -0.551 0.000 0.371 59 F C 1.747 177.695 175.800 0.247 0.000 1.083 59 F CA 1.619 59.724 58.000 0.175 0.000 1.174 59 F CB -0.230 38.854 39.000 0.140 0.000 1.096 59 F HN 0.627 nan 8.300 nan 0.000 0.545 60 G N 3.223 112.269 108.800 0.410 0.000 2.260 60 G HA2 -0.254 3.377 3.960 -0.549 0.000 0.179 60 G HA3 -0.254 3.377 3.960 -0.549 0.000 0.179 60 G C 0.928 176.067 174.900 0.398 0.000 1.002 60 G CA -0.053 45.270 45.100 0.372 0.000 0.677 60 G HN 0.700 nan 8.290 nan 0.000 0.486 61 W N 1.920 123.301 121.300 0.134 0.000 2.408 61 W HA 0.128 4.458 4.660 -0.551 0.000 0.311 61 W C 0.149 176.697 176.519 0.048 0.000 1.190 61 W CA 2.053 59.426 57.345 0.045 0.000 1.321 61 W CB -0.156 29.195 29.460 -0.181 0.000 1.143 61 W HN 0.183 nan 8.180 nan 0.000 0.501 62 T N 2.315 117.043 114.554 0.290 0.000 2.795 62 T HA 0.121 4.141 4.350 -0.549 0.000 0.282 62 T C 0.994 175.761 174.700 0.111 0.000 0.980 62 T CA -0.570 61.631 62.100 0.168 0.000 1.012 62 T CB 2.049 71.031 68.868 0.191 0.000 0.936 62 T HN -0.046 nan 8.240 nan 0.000 0.457 63 Q N 2.292 122.128 119.800 0.061 0.000 2.123 63 Q HA -0.088 3.922 4.340 -0.549 0.000 0.199 63 Q C 2.421 178.455 176.000 0.058 0.000 0.966 63 Q CA 1.236 57.070 55.803 0.051 0.000 0.845 63 Q CB -0.273 28.477 28.738 0.019 0.000 0.907 63 Q HN 0.768 nan 8.270 nan 0.000 0.439 64 R N 0.757 121.288 120.500 0.052 0.000 2.092 64 R HA 0.033 4.043 4.340 -0.549 0.000 0.231 64 R C 0.659 176.994 176.300 0.058 0.000 1.119 64 R CA 0.653 56.781 56.100 0.046 0.000 0.970 64 R CB -0.195 30.126 30.300 0.035 0.000 0.864 64 R HN -0.022 nan 8.270 nan 0.000 0.440 65 K N 1.437 121.883 120.400 0.076 0.000 2.168 65 K HA 0.124 4.115 4.320 -0.549 0.000 0.258 65 K C -0.130 176.549 176.600 0.132 0.000 1.010 65 K CA 0.282 56.623 56.287 0.091 0.000 0.929 65 K CB 1.382 33.932 32.500 0.083 0.000 0.998 65 K HN 0.286 nan 8.250 nan 0.000 0.479 66 T N -1.511 113.134 114.554 0.152 0.000 2.865 66 T HA 0.403 4.423 4.350 -0.549 0.000 0.294 66 T C -0.828 174.030 174.700 0.264 0.000 1.119 66 T CA -1.096 61.112 62.100 0.180 0.000 1.007 66 T CB 1.632 70.554 68.868 0.091 0.000 1.225 66 T HN 0.546 nan 8.240 nan 0.000 0.515 67 R N 1.127 121.753 120.500 0.210 0.000 2.246 67 R HA 0.378 4.389 4.340 -0.549 0.000 0.332 67 R C -0.352 175.980 176.300 0.054 0.000 0.974 67 R CA -0.315 55.819 56.100 0.057 0.000 0.837 67 R CB -0.047 30.076 30.300 -0.295 0.000 1.145 67 R HN 0.786 nan 8.270 nan 0.000 0.467 68 N N 3.181 121.896 118.700 0.024 0.000 2.721 68 N HA -0.204 4.207 4.740 -0.549 0.000 0.249 68 N C 0.443 175.825 175.510 -0.214 0.000 1.072 68 N CA 1.677 54.723 53.050 -0.008 0.000 0.710 68 N CB -1.149 37.384 38.487 0.076 0.000 0.993 68 N HN 1.068 nan 8.380 nan 0.000 0.547 69 G N -2.508 106.143 108.800 -0.248 0.000 2.143 69 G HA2 -0.292 3.339 3.960 -0.549 0.000 0.249 69 G HA3 -0.292 3.339 3.960 -0.549 0.000 0.249 69 G C -0.210 174.269 174.900 -0.701 0.000 0.981 69 G CA 0.403 45.215 45.100 -0.481 0.000 0.665 69 G HN 0.405 nan 8.290 nan 0.000 0.528 70 F N -0.398 119.576 119.950 0.039 0.000 2.588 70 F HA 0.660 4.858 4.527 -0.549 0.000 0.310 70 F C 0.653 176.481 175.800 0.046 0.000 1.082 70 F CA -1.331 56.691 58.000 0.036 0.000 0.929 70 F CB 1.258 40.278 39.000 0.033 0.000 1.254 70 F HN -0.065 nan 8.300 nan 0.000 0.455 71 R N 1.492 122.130 120.500 0.230 0.000 2.442 71 R HA 0.435 4.445 4.340 -0.549 0.000 0.291 71 R C -0.587 175.786 176.300 0.123 0.000 1.069 71 R CA -0.614 55.577 56.100 0.151 0.000 1.022 71 R CB 0.657 31.017 30.300 0.101 0.000 0.976 71 R HN 0.568 nan 8.270 nan 0.000 0.443 72 V N 1.793 121.781 119.914 0.124 0.000 2.655 72 V HA 0.197 3.988 4.120 -0.549 0.000 0.300 72 V C -1.644 174.438 176.094 -0.020 0.000 1.044 72 V CA -1.607 60.735 62.300 0.071 0.000 1.095 72 V CB 0.045 31.958 31.823 0.150 0.000 0.952 72 V HN 0.680 nan 8.190 nan 0.000 0.485 73 P HA 0.364 nan 4.420 nan 0.000 0.278 73 P C -0.265 176.950 177.300 -0.141 0.000 1.238 73 P CA -0.634 62.339 63.100 -0.213 0.000 0.794 73 P CB 0.906 32.330 31.700 -0.460 0.000 0.955 74 L N 1.693 122.853 121.223 -0.105 0.000 2.490 74 L HA 0.003 4.014 4.340 -0.549 0.000 0.274 74 L C 2.047 178.857 176.870 -0.099 0.000 1.201 74 L CA -0.135 54.648 54.840 -0.094 0.000 0.869 74 L CB 0.103 42.114 42.059 -0.080 0.000 1.123 74 L HN 0.496 nan 8.230 nan 0.000 0.484 75 A N 4.035 126.779 122.820 -0.126 0.000 1.903 75 A HA -0.260 3.731 4.320 -0.549 0.000 0.219 75 A C 2.323 179.873 177.584 -0.057 0.000 1.191 75 A CA 2.270 54.240 52.037 -0.112 0.000 0.638 75 A CB -0.502 18.363 19.000 -0.226 0.000 0.823 75 A HN 0.914 nan 8.150 nan 0.000 0.451 76 R N -0.506 119.959 120.500 -0.059 0.000 2.115 76 R HA -0.082 3.928 4.340 -0.549 0.000 0.226 76 R C 2.125 178.442 176.300 0.029 0.000 1.100 76 R CA 1.430 57.537 56.100 0.011 0.000 0.980 76 R CB -0.242 30.095 30.300 0.061 0.000 0.875 76 R HN 0.722 nan 8.270 nan 0.000 0.445 77 E N -0.237 119.963 120.200 -0.001 0.000 2.110 77 E HA -0.151 3.870 4.350 -0.549 0.000 0.193 77 E C 1.668 178.268 176.600 -0.000 0.000 0.988 77 E CA 1.397 57.794 56.400 -0.005 0.000 0.804 77 E CB 0.164 29.843 29.700 -0.034 0.000 0.745 77 E HN 0.211 nan 8.360 nan 0.000 0.458 78 V N 1.135 121.045 119.914 -0.007 0.000 2.332 78 V HA -0.306 3.485 4.120 -0.549 0.000 0.248 78 V C 2.591 178.750 176.094 0.109 0.000 1.055 78 V CA 1.959 64.287 62.300 0.047 0.000 1.038 78 V CB -0.855 31.027 31.823 0.098 0.000 0.651 78 V HN 0.445 nan 8.190 nan 0.000 0.450 79 S N 0.885 116.653 115.700 0.113 0.000 2.338 79 S HA -0.244 3.897 4.470 -0.549 0.000 0.218 79 S C 1.903 176.568 174.600 0.108 0.000 1.032 79 S CA 1.646 59.931 58.200 0.141 0.000 0.999 79 S CB -0.789 62.492 63.200 0.135 0.000 0.905 79 S HN 0.540 nan 8.310 nan 0.000 0.439 80 N N 2.148 120.894 118.700 0.076 0.000 2.091 80 N HA -0.086 4.325 4.740 -0.549 0.000 0.193 80 N C 1.706 177.250 175.510 0.056 0.000 1.021 80 N CA 1.664 54.748 53.050 0.056 0.000 0.862 80 N CB -0.340 38.169 38.487 0.036 0.000 1.018 80 N HN 0.635 nan 8.380 nan 0.000 0.429 81 K N -0.575 119.857 120.400 0.054 0.000 2.137 81 K HA 0.109 4.100 4.320 -0.549 0.000 0.202 81 K C 1.573 178.212 176.600 0.064 0.000 1.052 81 K CA 0.680 56.996 56.287 0.048 0.000 0.961 81 K CB 0.321 32.840 32.500 0.032 0.000 0.741 81 K HN 0.128 nan 8.250 nan 0.000 0.452 82 I N -0.350 120.270 120.570 0.084 0.000 3.194 82 I HA -0.112 3.728 4.170 -0.549 0.000 0.271 82 I C 1.951 178.135 176.117 0.111 0.000 1.150 82 I CA 0.329 61.682 61.300 0.088 0.000 1.440 82 I CB 0.294 38.350 38.000 0.093 0.000 1.276 82 I HN -0.226 nan 8.210 nan 0.000 0.457 83 V N 0.707 120.708 119.914 0.146 0.000 2.407 83 V HA 0.060 3.851 4.120 -0.549 0.000 0.245 83 V C 1.465 177.691 176.094 0.221 0.000 1.041 83 V CA 1.179 63.593 62.300 0.189 0.000 1.040 83 V CB -1.268 30.711 31.823 0.259 0.000 0.671 83 V HN 0.407 nan 8.190 nan 0.000 0.455 84 G N -0.545 108.363 108.800 0.180 0.000 2.539 84 G HA2 0.450 4.080 3.960 -0.549 0.000 0.258 84 G HA3 0.450 4.080 3.960 -0.549 0.000 0.258 84 G C -0.954 174.085 174.900 0.230 0.000 1.202 84 G CA 0.004 45.201 45.100 0.162 0.000 0.851 84 G HN 0.541 nan 8.290 nan 0.000 0.556 85 Y N -0.990 119.349 120.300 0.065 0.000 2.571 85 Y HA 0.609 4.827 4.550 -0.553 0.000 0.341 85 Y C -0.099 175.833 175.900 0.053 0.000 1.076 85 Y CA -1.291 56.842 58.100 0.055 0.000 1.029 85 Y CB 1.173 39.666 38.460 0.057 0.000 1.308 85 Y HN 0.298 nan 8.280 nan 0.000 0.461 86 L N 0.353 121.642 121.223 0.110 0.000 2.265 86 L HA 0.151 4.162 4.340 -0.549 0.000 0.195 86 L C 0.166 177.100 176.870 0.107 0.000 1.083 86 L CA 0.463 55.318 54.840 0.024 0.000 0.798 86 L CB 0.124 42.206 42.059 0.040 0.000 0.989 86 L HN 0.697 nan 8.230 nan 0.000 0.472 87 D N 0.778 121.304 120.400 0.210 0.000 2.338 87 D HA -0.027 4.284 4.640 -0.549 0.000 0.255 87 D C 0.758 177.234 176.300 0.294 0.000 1.237 87 D CA 0.299 54.413 54.000 0.191 0.000 0.883 87 D CB 0.794 41.672 40.800 0.132 0.000 1.087 87 D HN 0.077 nan 8.370 nan 0.000 0.485 88 E N 2.540 122.889 120.200 0.248 0.000 2.502 88 E HA -0.030 3.991 4.350 -0.549 0.000 0.194 88 E C -0.088 176.617 176.600 0.175 0.000 1.062 88 E CA 0.260 56.838 56.400 0.296 0.000 0.867 88 E CB 0.323 30.153 29.700 0.216 0.000 0.888 88 E HN 0.573 nan 8.360 nan 0.000 0.510 89 E N 0.314 120.590 120.200 0.126 0.000 2.290 89 E HA 0.189 4.209 4.350 -0.549 0.000 0.277 89 E C 0.820 177.456 176.600 0.061 0.000 1.035 89 E CA 0.141 56.592 56.400 0.083 0.000 0.873 89 E CB 1.126 30.866 29.700 0.067 0.000 1.029 89 E HN 0.291 nan 8.360 nan 0.000 0.419 90 G N 2.135 110.966 108.800 0.051 0.000 2.157 90 G HA2 -0.329 3.301 3.960 -0.549 0.000 0.248 90 G HA3 -0.329 3.301 3.960 -0.549 0.000 0.248 90 G C 0.834 175.745 174.900 0.018 0.000 0.979 90 G CA 0.403 45.522 45.100 0.032 0.000 0.650 90 G HN 0.523 nan 8.290 nan 0.000 0.529 91 V N -1.276 118.653 119.914 0.025 0.000 3.573 91 V HA 0.517 4.307 4.120 -0.549 0.000 0.270 91 V C 1.429 177.549 176.094 0.043 0.000 1.221 91 V CA 0.297 62.597 62.300 -0.000 0.000 1.163 91 V CB -0.285 31.523 31.823 -0.025 0.000 0.847 91 V HN 0.401 nan 8.190 nan 0.000 0.468 92 L N 1.520 122.779 121.223 0.060 0.000 2.439 92 L HA 0.366 4.377 4.340 -0.549 0.000 0.269 92 L C 0.253 177.161 176.870 0.063 0.000 1.179 92 L CA 0.022 54.907 54.840 0.076 0.000 0.828 92 L CB 0.397 42.504 42.059 0.079 0.000 1.106 92 L HN 0.157 nan 8.230 nan 0.000 0.467 93 D N 1.796 122.243 120.400 0.078 0.000 2.295 93 D HA 0.044 4.354 4.640 -0.549 0.000 0.248 93 D C 0.538 176.865 176.300 0.045 0.000 1.154 93 D CA -0.147 53.888 54.000 0.059 0.000 0.857 93 D CB 1.322 42.171 40.800 0.081 0.000 1.117 93 D HN 0.380 nan 8.370 nan 0.000 0.468 94 Q N 2.440 122.254 119.800 0.024 0.000 2.451 94 Q HA -0.033 3.977 4.340 -0.549 0.000 0.206 94 Q C 0.418 176.424 176.000 0.009 0.000 0.947 94 Q CA 0.458 56.274 55.803 0.022 0.000 0.937 94 Q CB 0.251 28.997 28.738 0.014 0.000 1.025 94 Q HN 0.375 nan 8.270 nan 0.000 0.511 95 N N 0.277 118.969 118.700 -0.014 0.000 2.240 95 N HA 0.124 4.535 4.740 -0.549 0.000 0.240 95 N C -1.048 174.417 175.510 -0.074 0.000 1.277 95 N CA 0.036 53.062 53.050 -0.039 0.000 0.873 95 N CB 0.632 39.082 38.487 -0.061 0.000 1.222 95 N HN -0.071 nan 8.380 nan 0.000 0.507 96 R N -0.224 120.252 120.500 -0.040 0.000 2.584 96 R HA 0.363 4.374 4.340 -0.549 0.000 0.276 96 R C -0.731 175.643 176.300 0.123 0.000 1.046 96 R CA -0.648 55.436 56.100 -0.026 0.000 0.906 96 R CB 1.654 31.785 30.300 -0.281 0.000 1.215 96 R HN 0.164 nan 8.270 nan 0.000 0.449 97 S N 1.662 117.472 115.700 0.184 0.000 2.632 97 S HA 0.138 4.279 4.470 -0.549 0.000 0.267 97 S C 1.068 175.819 174.600 0.253 0.000 1.276 97 S CA -0.778 57.535 58.200 0.189 0.000 0.998 97 S CB 1.016 64.297 63.200 0.134 0.000 0.953 97 S HN 0.564 nan 8.310 nan 0.000 0.547 98 L N 0.736 122.076 121.223 0.194 0.000 2.270 98 L HA -0.062 3.949 4.340 -0.549 0.000 0.217 98 L C 1.971 178.950 176.870 0.181 0.000 1.107 98 L CA 1.370 56.318 54.840 0.180 0.000 0.772 98 L CB -1.212 40.929 42.059 0.136 0.000 0.902 98 L HN 0.849 nan 8.230 nan 0.000 0.439 99 L N -1.760 119.561 121.223 0.164 0.000 2.141 99 L HA -0.178 3.833 4.340 -0.549 0.000 0.209 99 L C 2.243 179.329 176.870 0.360 0.000 1.094 99 L CA 1.504 56.412 54.840 0.112 0.000 0.763 99 L CB -0.885 41.078 42.059 -0.161 0.000 0.908 99 L HN 0.335 nan 8.230 nan 0.000 0.437 100 F N -0.543 119.620 119.950 0.355 0.000 2.134 100 F HA -0.257 3.968 4.527 -0.504 0.000 0.299 100 F C 2.398 178.434 175.800 0.393 0.000 1.097 100 F CA 2.047 60.338 58.000 0.485 0.000 1.264 100 F CB -0.319 38.894 39.000 0.355 0.000 1.001 100 F HN 0.189 nan 8.300 nan 0.000 0.479 101 M N 0.290 120.003 119.600 0.187 0.000 2.077 101 M HA -0.210 3.940 4.480 -0.549 0.000 0.261 101 M C 2.259 178.545 176.300 -0.024 0.000 1.070 101 M CA 1.986 57.297 55.300 0.018 0.000 1.125 101 M CB -0.933 31.727 32.600 0.100 0.000 1.339 101 M HN 0.351 nan 8.290 nan 0.000 0.409 102 Q N -0.005 119.829 119.800 0.058 0.000 2.061 102 Q HA -0.236 3.775 4.340 -0.549 0.000 0.204 102 Q C 1.927 177.910 176.000 -0.029 0.000 0.984 102 Q CA 2.466 58.277 55.803 0.013 0.000 0.846 102 Q CB -0.921 27.853 28.738 0.061 0.000 0.902 102 Q HN 0.714 nan 8.270 nan 0.000 0.421 103 W N 0.163 121.367 121.300 -0.159 0.000 2.402 103 W HA -0.055 4.328 4.660 -0.461 0.000 0.286 103 W C 1.647 177.854 176.519 -0.521 0.000 1.221 103 W CA 1.249 58.431 57.345 -0.272 0.000 1.257 103 W CB -0.364 29.011 29.460 -0.141 0.000 1.120 103 W HN 0.363 nan 8.180 nan 0.000 0.551 104 G N 0.582 109.111 108.800 -0.452 0.000 2.476 104 G HA2 -0.400 3.231 3.960 -0.549 0.000 0.218 104 G HA3 -0.400 3.231 3.960 -0.549 0.000 0.218 104 G C 1.390 175.866 174.900 -0.707 0.000 1.164 104 G CA 1.303 46.079 45.100 -0.540 0.000 0.768 104 G HN 0.403 nan 8.290 nan 0.000 0.560 105 Q N -0.591 118.865 119.800 -0.573 0.000 2.167 105 Q HA -0.027 3.984 4.340 -0.549 0.000 0.202 105 Q C 2.529 178.111 176.000 -0.697 0.000 0.970 105 Q CA 0.566 55.987 55.803 -0.637 0.000 0.855 105 Q CB -0.078 28.346 28.738 -0.523 0.000 0.911 105 Q HN 0.424 nan 8.270 nan 0.000 0.438 106 I N -0.145 120.028 120.570 -0.662 0.000 2.163 106 I HA -0.218 3.623 4.170 -0.549 0.000 0.240 106 I C 2.315 178.076 176.117 -0.594 0.000 1.081 106 I CA 0.860 61.756 61.300 -0.673 0.000 1.353 106 I CB -1.124 36.325 38.000 -0.918 0.000 1.054 106 I HN 0.112 nan 8.210 nan 0.000 0.407 107 V N 1.541 121.019 119.914 -0.727 0.000 2.233 107 V HA -0.335 3.456 4.120 -0.549 0.000 0.247 107 V C 2.527 178.566 176.094 -0.092 0.000 1.050 107 V CA 2.357 64.477 62.300 -0.300 0.000 1.010 107 V CB -0.842 30.942 31.823 -0.065 0.000 0.637 107 V HN 0.477 nan 8.190 nan 0.000 0.444 108 D N -0.465 119.740 120.400 -0.326 0.000 2.154 108 D HA -0.297 4.013 4.640 -0.549 0.000 0.190 108 D C 1.966 178.241 176.300 -0.041 0.000 1.003 108 D CA 2.296 56.105 54.000 -0.319 0.000 0.849 108 D CB -0.408 39.834 40.800 -0.930 0.000 0.942 108 D HN 0.703 nan 8.370 nan 0.000 0.446 109 H N -0.595 118.320 119.070 -0.258 0.000 2.456 109 H HA -0.102 4.084 4.556 -0.618 0.000 0.296 109 H C 1.786 177.058 175.328 -0.092 0.000 1.079 109 H CA 0.990 56.930 56.048 -0.180 0.000 1.322 109 H CB 0.215 29.859 29.762 -0.197 0.000 1.388 109 H HN 0.285 nan 8.280 nan 0.000 0.538 110 D N 0.930 121.356 120.400 0.043 0.000 2.144 110 D HA -0.104 4.206 4.640 -0.549 0.000 0.200 110 D C 2.186 178.555 176.300 0.116 0.000 0.978 110 D CA 0.660 54.703 54.000 0.072 0.000 0.833 110 D CB 0.117 40.959 40.800 0.070 0.000 0.961 110 D HN 0.341 nan 8.370 nan 0.000 0.470 111 L N 0.022 121.329 121.223 0.139 0.000 2.162 111 L HA 0.082 4.093 4.340 -0.549 0.000 0.205 111 L C 0.662 177.610 176.870 0.130 0.000 1.086 111 L CA 0.702 55.641 54.840 0.164 0.000 0.778 111 L CB -0.001 42.220 42.059 0.270 0.000 0.928 111 L HN 0.095 nan 8.230 nan 0.000 0.446 112 D N -2.261 118.208 120.400 0.114 0.000 2.602 112 D HA 0.364 4.674 4.640 -0.549 0.000 0.236 112 D C -1.420 174.949 176.300 0.114 0.000 1.209 112 D CA -0.433 53.627 54.000 0.101 0.000 0.831 112 D CB 3.039 43.903 40.800 0.106 0.000 1.478 112 D HN -0.251 nan 8.370 nan 0.000 0.438 113 F N 0.294 120.198 119.950 -0.077 0.000 2.639 113 F HA 0.545 4.750 4.527 -0.536 0.000 0.320 113 F C -1.831 173.935 175.800 -0.056 0.000 1.128 113 F CA -1.047 56.888 58.000 -0.108 0.000 1.037 113 F CB 1.953 40.886 39.000 -0.112 0.000 1.288 113 F HN 0.616 nan 8.300 nan 0.000 0.463 114 A N 7.526 130.241 122.820 -0.174 0.000 2.664 114 A HA 0.666 4.657 4.320 -0.549 0.000 0.338 114 A C -2.774 174.512 177.584 -0.496 0.000 1.280 114 A CA -1.439 50.443 52.037 -0.258 0.000 0.809 114 A CB -0.089 18.941 19.000 0.050 0.000 1.114 114 A HN 0.383 nan 8.150 nan 0.000 0.479 115 P HA 0.042 nan 4.420 nan 0.000 0.266 115 P C 0.002 177.103 177.300 -0.332 0.000 1.195 115 P CA 0.225 62.860 63.100 -0.774 0.000 0.768 115 P CB 0.828 32.153 31.700 -0.625 0.000 0.838 116 E N 0.657 120.717 120.200 -0.234 0.000 2.391 116 E HA 0.097 4.118 4.350 -0.549 0.000 0.255 116 E C 0.424 176.933 176.600 -0.152 0.000 1.187 116 E CA -0.153 56.154 56.400 -0.155 0.000 0.941 116 E CB 0.411 30.012 29.700 -0.166 0.000 1.010 116 E HN 0.450 nan 8.360 nan 0.000 0.458 117 T N -0.227 114.266 114.554 -0.102 0.000 3.240 117 T HA 0.181 4.201 4.350 -0.549 0.000 0.248 117 T C -0.242 174.330 174.700 -0.214 0.000 0.929 117 T CA -0.542 61.513 62.100 -0.075 0.000 0.939 117 T CB 0.046 68.974 68.868 0.100 0.000 1.114 117 T HN 0.273 nan 8.240 nan 0.000 0.558 118 E N 1.819 121.801 120.200 -0.364 0.000 2.222 118 E HA 0.153 4.174 4.350 -0.549 0.000 0.312 118 E C 0.028 176.469 176.600 -0.265 0.000 1.263 118 E CA -0.126 55.982 56.400 -0.486 0.000 1.356 118 E CB 0.110 29.500 29.700 -0.516 0.000 1.180 118 E HN 0.634 nan 8.360 nan 0.000 0.494 119 L N 0.797 121.915 121.223 -0.175 0.000 2.397 119 L HA 0.369 4.380 4.340 -0.549 0.000 0.271 119 L C 0.551 177.371 176.870 -0.084 0.000 1.148 119 L CA 0.716 55.493 54.840 -0.105 0.000 0.825 119 L CB 0.513 42.538 42.059 -0.058 0.000 1.117 119 L HN 0.523 nan 8.230 nan 0.000 0.456 120 G N 2.636 111.393 108.800 -0.072 0.000 2.423 120 G HA2 -0.078 3.552 3.960 -0.549 0.000 0.684 120 G HA3 -0.078 3.552 3.960 -0.549 0.000 0.684 120 G C -0.341 174.521 174.900 -0.063 0.000 1.309 120 G CA -0.202 44.867 45.100 -0.052 0.000 0.950 120 G HN 0.649 nan 8.290 nan 0.000 0.587 121 S N -1.051 114.620 115.700 -0.048 0.000 3.056 121 S HA 0.377 4.518 4.470 -0.549 0.000 0.255 121 S C 0.963 175.536 174.600 -0.044 0.000 1.079 121 S CA 1.084 59.254 58.200 -0.050 0.000 0.810 121 S CB 0.389 63.563 63.200 -0.043 0.000 0.810 121 S HN 1.898 nan 8.310 nan 0.000 0.477 122 S N 1.928 117.607 115.700 -0.035 0.000 2.542 122 S HA 0.706 4.846 4.470 -0.549 0.000 0.245 122 S C -1.008 173.575 174.600 -0.028 0.000 1.325 122 S CA -0.592 57.587 58.200 -0.035 0.000 1.176 122 S CB 1.655 64.831 63.200 -0.040 0.000 1.045 122 S HN 0.250 nan 8.310 nan 0.000 0.481 123 E N 0.631 120.828 120.200 -0.005 0.000 2.288 123 E HA 0.431 4.452 4.350 -0.549 0.000 0.268 123 E C -0.344 176.333 176.600 0.129 0.000 0.885 123 E CA -0.668 55.757 56.400 0.042 0.000 0.767 123 E CB 1.402 31.125 29.700 0.038 0.000 1.220 123 E HN 0.689 nan 8.360 nan 0.000 0.427 124 H N 1.163 120.257 119.070 0.040 0.000 2.827 124 H HA 0.212 4.439 4.556 -0.549 0.000 0.269 124 H C 0.806 176.183 175.328 0.081 0.000 1.031 124 H CA 0.184 56.265 56.048 0.056 0.000 1.202 124 H CB 0.935 30.734 29.762 0.061 0.000 1.511 124 H HN 0.403 nan 8.280 nan 0.000 0.517 125 S N 0.505 116.322 115.700 0.196 0.000 2.423 125 S HA -0.095 4.046 4.470 -0.549 0.000 0.231 125 S C 1.785 176.525 174.600 0.233 0.000 1.014 125 S CA 0.932 59.242 58.200 0.182 0.000 0.965 125 S CB 0.092 63.401 63.200 0.181 0.000 0.785 125 S HN 0.426 nan 8.310 nan 0.000 0.495 126 K N 0.703 121.243 120.400 0.233 0.000 2.103 126 K HA 0.039 4.030 4.320 -0.549 0.000 0.204 126 K C 1.920 178.630 176.600 0.182 0.000 1.052 126 K CA 0.866 57.335 56.287 0.303 0.000 0.945 126 K CB -0.230 32.362 32.500 0.155 0.000 0.722 126 K HN 0.142 nan 8.250 nan 0.000 0.443 127 V N 2.051 122.015 119.914 0.084 0.000 2.323 127 V HA -0.199 3.592 4.120 -0.549 0.000 0.244 127 V C 2.176 178.150 176.094 -0.200 0.000 1.041 127 V CA 1.578 63.836 62.300 -0.070 0.000 1.025 127 V CB -0.383 31.368 31.823 -0.120 0.000 0.656 127 V HN 0.329 nan 8.190 nan 0.000 0.451 128 Q N -1.461 118.281 119.800 -0.095 0.000 2.291 128 Q HA -0.204 3.806 4.340 -0.549 0.000 0.205 128 Q C 2.345 178.335 176.000 -0.016 0.000 0.970 128 Q CA 1.638 57.448 55.803 0.011 0.000 0.876 128 Q CB -0.481 28.333 28.738 0.127 0.000 0.935 128 Q HN 0.699 nan 8.270 nan 0.000 0.455 129 c N 0.965 119.542 118.600 -0.040 0.000 2.543 129 c HA -0.097 4.143 4.570 -0.549 0.000 0.281 129 c C 2.636 176.655 174.090 -0.118 0.000 1.276 129 c CA 0.869 57.136 56.329 -0.104 0.000 1.700 129 c CB -0.433 41.948 42.510 -0.215 0.000 2.093 129 c HN 0.605 nan 8.230 nan 0.000 0.488 130 E N 0.007 120.160 120.200 -0.078 0.000 2.047 130 E HA -0.168 3.853 4.350 -0.549 0.000 0.191 130 E C 2.136 178.633 176.600 -0.171 0.000 0.987 130 E CA 1.334 57.676 56.400 -0.096 0.000 0.799 130 E CB -0.051 29.651 29.700 0.004 0.000 0.752 130 E HN 0.632 nan 8.360 nan 0.000 0.449 131 E N -0.567 119.455 120.200 -0.298 0.000 2.060 131 E HA -0.119 3.902 4.350 -0.549 0.000 0.189 131 E C 1.778 178.174 176.600 -0.339 0.000 0.974 131 E CA 0.980 57.115 56.400 -0.441 0.000 0.808 131 E CB -0.089 29.123 29.700 -0.813 0.000 0.768 131 E HN 0.533 nan 8.360 nan 0.000 0.453 132 Y N -0.495 119.766 120.300 -0.066 0.000 2.458 132 Y HA 0.167 4.388 4.550 -0.548 0.000 0.254 132 Y C 0.696 176.546 175.900 -0.083 0.000 1.120 132 Y CA -0.537 57.521 58.100 -0.069 0.000 1.282 132 Y CB 0.273 38.690 38.460 -0.071 0.000 1.109 132 Y HN -0.088 nan 8.280 nan 0.000 0.526 133 c N 1.727 120.329 118.600 0.003 0.000 3.690 133 c HA -0.147 4.093 4.570 -0.549 0.000 0.295 133 c C 0.213 174.272 174.090 -0.051 0.000 1.283 133 c CA -0.855 55.434 56.329 -0.067 0.000 2.212 133 c CB -3.011 39.440 42.510 -0.098 0.000 1.407 133 c HN 0.182 nan 8.230 nan 0.000 0.595 134 V N 2.457 122.355 119.914 -0.026 0.000 2.333 134 V HA 0.275 4.066 4.120 -0.549 0.000 0.274 134 V C 0.547 176.589 176.094 -0.087 0.000 1.028 134 V CA 0.250 62.527 62.300 -0.038 0.000 0.851 134 V CB 1.620 33.454 31.823 0.017 0.000 1.000 134 V HN 0.683 nan 8.190 nan 0.000 0.456 135 Q N 3.169 122.873 119.800 -0.160 0.000 2.352 135 Q HA 0.552 4.562 4.340 -0.549 0.000 0.260 135 Q C 0.163 176.031 176.000 -0.220 0.000 0.976 135 Q CA 0.583 56.220 55.803 -0.277 0.000 0.881 135 Q CB 1.217 29.670 28.738 -0.475 0.000 1.235 135 Q HN 1.009 nan 8.270 nan 0.000 0.419 136 G N 2.835 111.560 108.800 -0.124 0.000 2.306 136 G HA2 0.104 3.734 3.960 -0.549 0.000 0.340 136 G HA3 0.104 3.734 3.960 -0.549 0.000 0.340 136 G C -1.086 173.998 174.900 0.308 0.000 1.630 136 G CA -0.293 44.923 45.100 0.193 0.000 0.937 136 G HN 0.783 nan 8.290 nan 0.000 0.693 137 D N -0.177 120.449 120.400 0.377 0.000 3.955 137 D HA -0.181 4.130 4.640 -0.549 0.000 0.142 137 D C 1.121 177.585 176.300 0.274 0.000 0.877 137 D CA 1.536 55.678 54.000 0.238 0.000 1.100 137 D CB -0.516 40.388 40.800 0.173 0.000 0.533 137 D HN 0.545 nan 8.370 nan 0.000 0.546 138 E N -0.084 120.271 120.200 0.257 0.000 2.489 138 E HA 0.129 4.150 4.350 -0.549 0.000 0.193 138 E C 0.538 177.327 176.600 0.315 0.000 1.057 138 E CA 0.072 56.657 56.400 0.307 0.000 0.866 138 E CB -0.240 29.662 29.700 0.336 0.000 0.916 138 E HN 0.354 nan 8.360 nan 0.000 0.500 139 c N 1.297 120.009 118.600 0.187 0.000 2.285 139 c HA 0.492 4.733 4.570 -0.549 0.000 0.335 139 c C -0.640 173.552 174.090 0.171 0.000 1.267 139 c CA -0.724 55.565 56.329 -0.065 0.000 1.762 139 c CB -1.017 41.383 42.510 -0.184 0.000 2.365 139 c HN 0.172 nan 8.230 nan 0.000 0.527 140 F N 9.115 129.086 119.950 0.034 0.000 2.691 140 F HA 0.519 4.715 4.527 -0.551 0.000 0.371 140 F C -2.594 173.243 175.800 0.062 0.000 1.159 140 F CA -3.080 54.991 58.000 0.119 0.000 1.174 140 F CB 0.867 40.122 39.000 0.426 0.000 1.419 140 F HN 0.448 nan 8.300 nan 0.000 0.514 141 P HA 0.255 nan 4.420 nan 0.000 0.271 141 P C -0.298 176.728 177.300 -0.457 0.000 1.218 141 P CA 0.078 63.024 63.100 -0.256 0.000 0.780 141 P CB 1.066 32.626 31.700 -0.232 0.000 0.901 142 I N 3.319 123.632 120.570 -0.429 0.000 2.287 142 I HA 0.170 4.010 4.170 -0.549 0.000 0.290 142 I C 0.577 176.371 176.117 -0.537 0.000 1.069 142 I CA -0.467 60.537 61.300 -0.494 0.000 1.237 142 I CB 0.210 37.961 38.000 -0.414 0.000 1.418 142 I HN 0.142 nan 8.210 nan 0.000 0.481 143 M N 5.291 124.628 119.600 -0.438 0.000 2.226 143 M HA 0.299 4.449 4.480 -0.549 0.000 0.324 143 M C -0.313 175.752 176.300 -0.391 0.000 1.112 143 M CA 0.242 55.300 55.300 -0.403 0.000 1.176 143 M CB 0.045 32.512 32.600 -0.222 0.000 1.430 143 M HN 0.233 nan 8.290 nan 0.000 0.462 144 F N 2.647 122.537 119.950 -0.099 0.000 2.415 144 F HA 0.374 4.571 4.527 -0.550 0.000 0.348 144 F C -1.396 174.362 175.800 -0.069 0.000 1.119 144 F CA -1.743 56.206 58.000 -0.085 0.000 1.069 144 F CB 1.044 39.995 39.000 -0.082 0.000 1.124 144 F HN 0.376 nan 8.300 nan 0.000 0.472 145 P HA 0.051 nan 4.420 nan 0.000 0.274 145 P C -0.860 176.468 177.300 0.046 0.000 1.256 145 P CA -0.718 62.417 63.100 0.058 0.000 0.795 145 P CB 0.825 32.544 31.700 0.032 0.000 1.038 146 K N 1.071 121.482 120.400 0.018 0.000 2.561 146 K HA -0.135 3.856 4.320 -0.549 0.000 0.280 146 K C 0.126 176.721 176.600 -0.008 0.000 0.975 146 K CA 0.607 56.896 56.287 0.004 0.000 1.024 146 K CB -0.819 31.681 32.500 -0.001 0.000 0.883 146 K HN 0.459 nan 8.250 nan 0.000 0.496 147 N N 1.769 120.456 118.700 -0.022 0.000 2.727 147 N HA -0.223 4.188 4.740 -0.549 0.000 0.249 147 N C -1.445 174.031 175.510 -0.056 0.000 1.048 147 N CA 0.929 53.957 53.050 -0.037 0.000 0.714 147 N CB -0.556 37.916 38.487 -0.026 0.000 0.959 147 N HN 0.566 nan 8.380 nan 0.000 0.544 148 D N -0.346 120.002 120.400 -0.086 0.000 2.232 148 D HA 0.210 4.521 4.640 -0.549 0.000 0.242 148 D C -1.587 174.580 176.300 -0.220 0.000 1.093 148 D CA -2.351 51.558 54.000 -0.151 0.000 0.845 148 D CB 1.317 42.001 40.800 -0.194 0.000 1.124 148 D HN -0.043 nan 8.370 nan 0.000 0.467 149 P HA -0.056 nan 4.420 nan 0.000 0.228 149 P C 0.719 177.864 177.300 -0.258 0.000 1.151 149 P CA 0.881 63.874 63.100 -0.178 0.000 0.770 149 P CB 0.308 31.930 31.700 -0.129 0.000 0.786 150 K N -0.943 119.194 120.400 -0.438 0.000 2.459 150 K HA 0.109 4.100 4.320 -0.549 0.000 0.193 150 K C 1.734 177.942 176.600 -0.653 0.000 1.030 150 K CA 0.409 56.331 56.287 -0.608 0.000 1.026 150 K CB -0.270 31.675 32.500 -0.926 0.000 0.809 150 K HN 0.260 nan 8.250 nan 0.000 0.504 151 L N 0.983 121.893 121.223 -0.522 0.000 2.056 151 L HA -0.169 3.841 4.340 -0.549 0.000 0.207 151 L C 2.112 178.894 176.870 -0.147 0.000 1.078 151 L CA 1.439 56.120 54.840 -0.264 0.000 0.749 151 L CB -0.237 41.731 42.059 -0.151 0.000 0.901 151 L HN 0.074 nan 8.230 nan 0.000 0.433 152 K N -0.635 119.679 120.400 -0.144 0.000 2.097 152 K HA -0.127 3.864 4.320 -0.549 0.000 0.205 152 K C 2.084 178.635 176.600 -0.082 0.000 1.050 152 K CA 1.912 58.144 56.287 -0.092 0.000 0.938 152 K CB -0.185 32.266 32.500 -0.082 0.000 0.718 152 K HN 0.483 nan 8.250 nan 0.000 0.442 153 T N -2.040 112.448 114.554 -0.110 0.000 3.004 153 T HA 0.033 4.054 4.350 -0.549 0.000 0.243 153 T C 1.932 176.591 174.700 -0.068 0.000 1.020 153 T CA 0.176 62.228 62.100 -0.081 0.000 1.145 153 T CB 0.078 68.894 68.868 -0.086 0.000 0.876 153 T HN 0.055 nan 8.240 nan 0.000 0.449 154 Q N 0.693 120.435 119.800 -0.097 0.000 2.324 154 Q HA 0.490 4.500 4.340 -0.549 0.000 0.207 154 Q C 1.316 177.324 176.000 0.013 0.000 0.928 154 Q CA 0.600 56.374 55.803 -0.048 0.000 0.890 154 Q CB 0.718 29.423 28.738 -0.056 0.000 1.001 154 Q HN 0.723 nan 8.270 nan 0.000 0.517 155 G N 0.321 109.152 108.800 0.052 0.000 2.295 155 G HA2 -0.086 3.544 3.960 -0.549 0.000 0.155 155 G HA3 -0.086 3.544 3.960 -0.549 0.000 0.155 155 G C -0.558 174.460 174.900 0.197 0.000 1.307 155 G CA -0.372 44.781 45.100 0.088 0.000 1.140 155 G HN -0.034 nan 8.290 nan 0.000 0.470 156 K N -0.642 119.852 120.400 0.156 0.000 2.354 156 K HA 0.420 4.411 4.320 -0.549 0.000 0.194 156 K C 0.537 177.120 176.600 -0.029 0.000 1.045 156 K CA 0.902 57.277 56.287 0.146 0.000 1.026 156 K CB 0.532 33.052 32.500 0.033 0.000 0.866 156 K HN 0.927 nan 8.250 nan 0.000 0.530 157 c N -2.077 116.366 118.600 -0.262 0.000 3.314 157 c HA 0.589 4.830 4.570 -0.549 0.000 0.344 157 c C -1.401 172.279 174.090 -0.683 0.000 1.461 157 c CA -1.329 54.543 56.329 -0.763 0.000 1.249 157 c CB 0.825 43.075 42.510 -0.432 0.000 1.632 157 c HN 0.006 nan 8.230 nan 0.000 0.452 158 M N 2.369 121.572 119.600 -0.662 0.000 2.167 158 M HA 0.425 4.576 4.480 -0.549 0.000 0.333 158 M C -2.513 173.731 176.300 -0.094 0.000 1.030 158 M CA -1.443 53.642 55.300 -0.358 0.000 0.963 158 M CB 1.779 34.230 32.600 -0.248 0.000 1.589 158 M HN 0.489 nan 8.290 nan 0.000 0.431 159 P HA 0.003 nan 4.420 nan 0.000 0.264 159 P C -1.371 176.031 177.300 0.171 0.000 1.183 159 P CA 0.449 63.540 63.100 -0.014 0.000 0.763 159 P CB 0.220 31.829 31.700 -0.151 0.000 0.807 160 F N 3.904 123.755 119.950 -0.165 0.000 2.605 160 F HA 0.512 4.707 4.527 -0.553 0.000 0.320 160 F C -1.699 174.012 175.800 -0.148 0.000 1.159 160 F CA -0.748 57.204 58.000 -0.080 0.000 0.999 160 F CB 0.951 39.880 39.000 -0.119 0.000 1.258 160 F HN 0.087 nan 8.300 nan 0.000 0.464 161 F N 5.103 124.807 119.950 -0.410 0.000 2.480 161 F HA 0.599 4.796 4.527 -0.551 0.000 0.329 161 F C 0.645 176.285 175.800 -0.267 0.000 1.091 161 F CA -0.756 57.138 58.000 -0.177 0.000 0.972 161 F CB 1.468 40.390 39.000 -0.130 0.000 1.150 161 F HN 0.314 nan 8.300 nan 0.000 0.467 162 R N 1.237 121.890 120.500 0.255 0.000 2.827 162 R HA 0.466 4.477 4.340 -0.549 0.000 0.269 162 R C -0.106 176.287 176.300 0.154 0.000 1.048 162 R CA -0.312 55.943 56.100 0.259 0.000 1.173 162 R CB 0.368 30.815 30.300 0.245 0.000 1.070 162 R HN 0.724 nan 8.270 nan 0.000 0.498 163 A N 0.730 123.638 122.820 0.146 0.000 2.304 163 A HA 0.466 4.456 4.320 -0.549 0.000 0.271 163 A C 0.373 178.026 177.584 0.115 0.000 1.091 163 A CA -0.175 51.908 52.037 0.077 0.000 0.812 163 A CB 0.685 19.716 19.000 0.052 0.000 1.056 163 A HN 0.740 nan 8.150 nan 0.000 0.489 164 G N -0.242 108.580 108.800 0.037 0.000 2.491 164 G HA2 0.481 4.112 3.960 -0.549 0.000 0.242 164 G HA3 0.481 4.112 3.960 -0.549 0.000 0.242 164 G C -0.318 174.649 174.900 0.112 0.000 1.266 164 G CA -0.071 45.049 45.100 0.033 0.000 0.844 164 G HN 0.859 nan 8.290 nan 0.000 0.571 165 F N 0.469 120.369 119.950 -0.082 0.000 2.639 165 F HA 0.760 4.956 4.527 -0.552 0.000 0.339 165 F C 0.258 176.025 175.800 -0.056 0.000 1.071 165 F CA -1.901 56.055 58.000 -0.073 0.000 0.994 165 F CB 0.415 39.370 39.000 -0.074 0.000 1.341 165 F HN 0.550 nan 8.300 nan 0.000 0.498 166 V N -2.063 117.916 119.914 0.108 0.000 3.336 166 V HA 0.532 4.323 4.120 -0.549 0.000 0.304 166 V C 0.702 176.783 176.094 -0.021 0.000 1.073 166 V CA -0.771 61.535 62.300 0.010 0.000 1.074 166 V CB 0.328 32.176 31.823 0.042 0.000 1.161 166 V HN 1.426 nan 8.190 nan 0.000 0.460 167 c N -1.208 117.365 118.600 -0.046 0.000 0.168 167 c HA -0.155 4.086 4.570 -0.549 0.000 0.017 167 c C -1.486 172.537 174.090 -0.112 0.000 0.171 167 c CA 0.823 57.109 56.329 -0.073 0.000 0.499 167 c CB -3.240 39.219 42.510 -0.085 0.000 3.212 167 c HN 1.213 nan 8.230 nan 0.000 1.118 168 P HA 0.459 nan 4.420 nan 0.000 0.307 168 P C -0.167 176.915 177.300 -0.363 0.000 1.307 168 P CA 0.158 63.163 63.100 -0.157 0.000 0.814 168 P CB 0.663 32.339 31.700 -0.040 0.000 1.311 169 T N -1.921 112.396 114.554 -0.395 0.000 3.037 169 T HA 0.200 4.221 4.350 -0.549 0.000 0.251 169 T C -1.913 172.668 174.700 -0.198 0.000 1.079 169 T CA 0.078 61.776 62.100 -0.670 0.000 1.067 169 T CB -1.218 67.367 68.868 -0.471 0.000 0.948 169 T HN 0.438 nan 8.240 nan 0.000 0.496 170 P HA 0.097 nan 4.420 nan 0.000 0.266 170 P C -1.719 175.751 177.300 0.284 0.000 1.195 170 P CA -1.055 62.117 63.100 0.120 0.000 0.768 170 P CB 0.311 32.051 31.700 0.066 0.000 0.838 171 P HA -0.276 nan 4.420 nan 0.000 0.217 171 P C -0.025 177.441 177.300 0.277 0.000 0.848 171 P CA 1.483 64.703 63.100 0.200 0.000 1.049 171 P CB -0.356 31.360 31.700 0.026 0.000 0.690 172 Y N -2.382 117.937 120.300 0.031 0.000 2.501 172 Y HA -0.223 3.997 4.550 -0.549 0.000 0.023 172 Y C -0.173 175.705 175.900 -0.036 0.000 1.697 172 Y CA 0.294 58.404 58.100 0.016 0.000 1.423 172 Y CB -1.412 37.083 38.460 0.060 0.000 2.068 172 Y HN 0.337 nan 8.280 nan 0.000 0.253 173 Q N -0.075 119.928 119.800 0.339 0.000 2.438 173 Q HA 0.705 4.715 4.340 -0.549 0.000 0.272 173 Q C -0.356 175.685 176.000 0.068 0.000 0.994 173 Q CA -0.202 55.662 55.803 0.101 0.000 0.887 173 Q CB 2.534 31.292 28.738 0.035 0.000 1.432 173 Q HN 0.806 nan 8.270 nan 0.000 0.392 174 S N 0.601 116.305 115.700 0.007 0.000 6.667 174 S HA 0.212 4.352 4.470 -0.549 0.000 0.084 174 S C -0.580 174.020 174.600 -0.001 0.000 1.309 174 S CA -0.386 57.815 58.200 0.002 0.000 1.259 174 S CB -0.109 63.081 63.200 -0.017 0.000 1.772 174 S HN 0.465 nan 8.310 nan 0.000 0.565 175 L N 2.690 123.915 121.223 0.003 0.000 2.567 175 L HA 0.855 4.866 4.340 -0.549 0.000 0.238 175 L C 0.695 177.569 176.870 0.006 0.000 1.168 175 L CA -0.306 54.541 54.840 0.012 0.000 0.817 175 L CB 1.008 43.086 42.059 0.031 0.000 1.409 175 L HN 0.778 nan 8.230 nan 0.000 0.502 176 A N 1.029 123.872 122.820 0.038 0.000 2.346 176 A HA 0.266 4.257 4.320 -0.549 0.000 0.252 176 A C -0.046 177.574 177.584 0.061 0.000 1.089 176 A CA -0.266 51.814 52.037 0.073 0.000 0.797 176 A CB 0.132 19.239 19.000 0.178 0.000 1.047 176 A HN 0.718 nan 8.150 nan 0.000 0.494 177 R N 0.810 121.324 120.500 0.024 0.000 2.316 177 R HA 0.185 4.195 4.340 -0.549 0.000 0.314 177 R C -1.281 175.094 176.300 0.125 0.000 1.069 177 R CA -0.191 55.886 56.100 -0.038 0.000 0.959 177 R CB 0.200 30.289 30.300 -0.351 0.000 0.987 177 R HN 0.700 nan 8.270 nan 0.000 0.446 178 D N 3.225 123.688 120.400 0.105 0.000 2.192 178 D HA 0.177 4.488 4.640 -0.549 0.000 0.246 178 D C -0.456 175.897 176.300 0.089 0.000 1.042 178 D CA -0.585 53.481 54.000 0.110 0.000 0.847 178 D CB 1.981 42.840 40.800 0.099 0.000 1.186 178 D HN 0.305 nan 8.370 nan 0.000 0.461 179 Q N 0.605 120.430 119.800 0.042 0.000 2.230 179 Q HA 0.471 4.482 4.340 -0.549 0.000 0.248 179 Q C -0.051 175.956 176.000 0.011 0.000 0.915 179 Q CA -0.323 55.467 55.803 -0.021 0.000 0.900 179 Q CB 1.935 30.520 28.738 -0.254 0.000 1.229 179 Q HN 0.403 nan 8.270 nan 0.000 0.439 180 I N 1.967 122.526 120.570 -0.018 0.000 2.428 180 I HA 0.116 3.956 4.170 -0.549 0.000 0.289 180 I C -0.183 175.906 176.117 -0.048 0.000 1.019 180 I CA -0.471 60.808 61.300 -0.036 0.000 1.351 180 I CB 0.982 38.936 38.000 -0.076 0.000 1.412 180 I HN 0.564 nan 8.210 nan 0.000 0.513 181 N N 5.130 123.817 118.700 -0.023 0.000 2.527 181 N HA 0.294 4.704 4.740 -0.549 0.000 0.236 181 N C 0.495 176.002 175.510 -0.005 0.000 0.999 181 N CA -0.196 52.849 53.050 -0.009 0.000 0.935 181 N CB 1.504 39.999 38.487 0.014 0.000 1.132 181 N HN 0.660 nan 8.380 nan 0.000 0.511 182 A N 2.481 125.284 122.820 -0.029 0.000 2.216 182 A HA 0.060 4.051 4.320 -0.549 0.000 0.214 182 A C 0.717 178.365 177.584 0.108 0.000 1.160 182 A CA 0.907 52.951 52.037 0.010 0.000 0.725 182 A CB -0.398 18.566 19.000 -0.060 0.000 0.784 182 A HN 0.473 nan 8.150 nan 0.000 0.472 183 V N -3.714 116.275 119.914 0.124 0.000 3.158 183 V HA 0.733 4.524 4.120 -0.549 0.000 0.315 183 V C 0.150 176.299 176.094 0.092 0.000 1.148 183 V CA -0.344 62.029 62.300 0.121 0.000 1.042 183 V CB 0.992 32.895 31.823 0.132 0.000 1.101 183 V HN 0.341 nan 8.190 nan 0.000 0.448 184 T N -0.945 113.675 114.554 0.110 0.000 2.869 184 T HA 0.284 4.305 4.350 -0.549 0.000 0.295 184 T C 0.915 175.653 174.700 0.062 0.000 0.987 184 T CA 0.381 62.551 62.100 0.117 0.000 1.109 184 T CB 1.045 70.046 68.868 0.222 0.000 0.932 184 T HN 0.795 nan 8.240 nan 0.000 0.518 185 S N 1.887 117.521 115.700 -0.111 0.000 2.481 185 S HA 0.139 4.280 4.470 -0.549 0.000 0.231 185 S C 0.256 174.720 174.600 -0.225 0.000 0.996 185 S CA 0.184 58.245 58.200 -0.231 0.000 0.942 185 S CB -0.516 62.461 63.200 -0.371 0.000 0.768 185 S HN 0.702 nan 8.310 nan 0.000 0.520 186 F N 1.067 121.096 119.950 0.131 0.000 2.410 186 F HA 0.333 4.531 4.527 -0.548 0.000 0.334 186 F C 0.339 176.265 175.800 0.210 0.000 1.134 186 F CA -1.274 56.832 58.000 0.177 0.000 1.227 186 F CB 0.243 39.348 39.000 0.174 0.000 1.194 186 F HN -0.074 nan 8.300 nan 0.000 0.571 187 L N 3.766 125.275 121.223 0.475 0.000 2.415 187 L HA 0.167 4.178 4.340 -0.549 0.000 0.269 187 L C 0.048 177.144 176.870 0.377 0.000 1.244 187 L CA 0.003 55.104 54.840 0.435 0.000 1.113 187 L CB -1.308 41.094 42.059 0.572 0.000 1.352 187 L HN 0.612 nan 8.230 nan 0.000 0.433 188 D N 2.355 122.939 120.400 0.308 0.000 2.599 188 D HA 0.255 4.565 4.640 -0.549 0.000 0.249 188 D C 0.631 177.064 176.300 0.223 0.000 1.313 188 D CA 0.159 54.305 54.000 0.243 0.000 0.815 188 D CB 0.011 40.934 40.800 0.204 0.000 1.077 188 D HN 0.431 nan 8.370 nan 0.000 0.492 189 A N 0.709 123.667 122.820 0.231 0.000 2.466 189 A HA -0.169 3.822 4.320 -0.549 0.000 0.295 189 A C 1.452 179.182 177.584 0.244 0.000 1.465 189 A CA 0.996 53.168 52.037 0.224 0.000 0.744 189 A CB -2.338 16.841 19.000 0.299 0.000 1.098 189 A HN 0.628 nan 8.150 nan 0.000 0.402 190 S N -1.378 114.429 115.700 0.178 0.000 2.503 190 S HA 0.148 4.289 4.470 -0.549 0.000 0.217 190 S C 1.410 176.073 174.600 0.106 0.000 0.999 190 S CA 0.788 59.088 58.200 0.166 0.000 0.914 190 S CB -0.133 63.157 63.200 0.151 0.000 0.782 190 S HN 0.571 nan 8.310 nan 0.000 0.520 191 L N 1.755 123.019 121.223 0.070 0.000 2.127 191 L HA -0.041 3.969 4.340 -0.549 0.000 0.211 191 L C 2.435 179.357 176.870 0.087 0.000 1.089 191 L CA 1.190 56.083 54.840 0.088 0.000 0.757 191 L CB -0.724 41.335 42.059 0.000 0.000 0.899 191 L HN 0.235 nan 8.230 nan 0.000 0.434 192 V N -2.653 117.215 119.914 -0.076 0.000 2.374 192 V HA -0.186 3.605 4.120 -0.549 0.000 0.241 192 V C 1.750 177.619 176.094 -0.375 0.000 1.034 192 V CA 1.223 63.334 62.300 -0.315 0.000 1.037 192 V CB -0.621 30.799 31.823 -0.671 0.000 0.682 192 V HN 0.307 nan 8.190 nan 0.000 0.463 193 Y N 0.767 121.077 120.300 0.017 0.000 2.462 193 Y HA 0.534 4.754 4.550 -0.549 0.000 0.261 193 Y C 1.401 177.335 175.900 0.057 0.000 1.146 193 Y CA 0.492 58.612 58.100 0.034 0.000 1.283 193 Y CB 0.139 38.611 38.460 0.019 0.000 1.090 193 Y HN 0.381 nan 8.280 nan 0.000 0.526 194 G N -0.126 108.766 108.800 0.153 0.000 2.699 194 G HA2 -0.186 3.445 3.960 -0.549 0.000 0.686 194 G HA3 -0.186 3.445 3.960 -0.549 0.000 0.686 194 G C 0.272 175.245 174.900 0.122 0.000 1.301 194 G CA -0.174 44.994 45.100 0.113 0.000 0.816 194 G HN 0.079 nan 8.290 nan 0.000 0.595 195 S N 0.092 115.851 115.700 0.099 0.000 2.540 195 S HA 0.253 4.394 4.470 -0.549 0.000 0.222 195 S C 0.506 175.153 174.600 0.078 0.000 1.008 195 S CA 0.488 58.746 58.200 0.098 0.000 0.939 195 S CB 0.418 63.679 63.200 0.102 0.000 0.865 195 S HN 0.572 nan 8.310 nan 0.000 0.499 196 E N 2.096 122.336 120.200 0.066 0.000 2.176 196 E HA 0.344 4.365 4.350 -0.549 0.000 0.267 196 E C -2.698 173.928 176.600 0.042 0.000 0.893 196 E CA -2.343 54.086 56.400 0.048 0.000 0.761 196 E CB 1.492 31.214 29.700 0.037 0.000 1.133 196 E HN 0.048 nan 8.360 nan 0.000 0.409 200 A N -0.199 122.641 122.820 0.033 0.000 1.978 200 A HA -0.183 3.807 4.320 -0.549 0.000 0.220 200 A C 2.294 179.873 177.584 -0.009 0.000 1.170 200 A CA 2.483 54.552 52.037 0.054 0.000 0.636 200 A CB -0.787 18.263 19.000 0.083 0.000 0.810 200 A HN 0.565 nan 8.150 nan 0.000 0.448 201 S N -1.064 114.611 115.700 -0.041 0.000 2.377 201 S HA -0.104 4.037 4.470 -0.549 0.000 0.223 201 S C 2.157 176.721 174.600 -0.061 0.000 1.030 201 S CA 0.990 59.140 58.200 -0.084 0.000 0.970 201 S CB -0.369 62.790 63.200 -0.068 0.000 0.830 201 S HN 0.597 nan 8.310 nan 0.000 0.473 202 R N 0.310 120.791 120.500 -0.031 0.000 2.159 202 R HA 0.037 4.048 4.340 -0.549 0.000 0.237 202 R C 1.603 177.891 176.300 -0.021 0.000 1.131 202 R CA 1.188 57.276 56.100 -0.020 0.000 0.982 202 R CB -0.272 30.023 30.300 -0.007 0.000 0.868 202 R HN 0.453 nan 8.270 nan 0.000 0.453 203 L N 0.161 121.371 121.223 -0.023 0.000 2.591 203 L HA 0.106 4.117 4.340 -0.549 0.000 0.228 203 L C 0.523 177.374 176.870 -0.031 0.000 1.133 203 L CA 0.216 55.041 54.840 -0.025 0.000 0.880 203 L CB 0.015 42.060 42.059 -0.023 0.000 1.033 203 L HN -0.011 nan 8.230 nan 0.000 0.450 204 R N 0.398 120.870 120.500 -0.047 0.000 2.486 204 R HA 0.193 4.204 4.340 -0.549 0.000 0.286 204 R C -0.013 176.271 176.300 -0.027 0.000 0.999 204 R CA -0.692 55.376 56.100 -0.054 0.000 0.993 204 R CB 0.826 31.028 30.300 -0.162 0.000 1.084 204 R HN -0.139 nan 8.270 nan 0.000 0.487 205 N N 3.243 121.947 118.700 0.006 0.000 2.605 205 N HA 0.046 4.457 4.740 -0.549 0.000 0.258 205 N C 0.049 175.562 175.510 0.004 0.000 1.156 205 N CA 0.100 53.160 53.050 0.016 0.000 1.008 205 N CB 0.390 38.904 38.487 0.044 0.000 1.354 205 N HN 0.535 nan 8.380 nan 0.000 0.509 206 L N 1.183 122.398 121.223 -0.014 0.000 2.653 206 L HA 0.115 4.125 4.340 -0.549 0.000 0.232 206 L C 1.485 178.353 176.870 -0.003 0.000 1.169 206 L CA 0.015 54.843 54.840 -0.020 0.000 0.951 206 L CB 0.036 42.072 42.059 -0.040 0.000 1.181 206 L HN 0.327 nan 8.230 nan 0.000 0.460 207 S N -0.804 114.901 115.700 0.008 0.000 2.446 207 S HA 0.004 4.145 4.470 -0.549 0.000 0.225 207 S C 0.956 175.568 174.600 0.019 0.000 1.016 207 S CA 0.419 58.627 58.200 0.015 0.000 0.943 207 S CB 0.177 63.390 63.200 0.021 0.000 0.786 207 S HN 0.568 nan 8.310 nan 0.000 0.508 208 S N 1.273 116.987 115.700 0.023 0.000 2.568 208 S HA 0.530 4.671 4.470 -0.549 0.000 0.293 208 S C -3.086 171.532 174.600 0.030 0.000 1.089 208 S CA -1.493 56.723 58.200 0.027 0.000 0.945 208 S CB 1.715 64.934 63.200 0.031 0.000 1.077 208 S HN -0.032 nan 8.310 nan 0.000 0.485 209 P HA 0.310 nan 4.420 nan 0.000 0.220 209 P C -0.088 177.243 177.300 0.053 0.000 1.778 209 P CA -0.174 62.950 63.100 0.041 0.000 0.912 209 P CB -0.547 31.179 31.700 0.042 0.000 1.861 210 L N -1.677 119.579 121.223 0.055 0.000 2.966 210 L HA 0.346 4.356 4.340 -0.549 0.000 0.262 210 L C 1.404 178.323 176.870 0.081 0.000 1.165 210 L CA 0.170 55.046 54.840 0.061 0.000 0.978 210 L CB -0.262 41.825 42.059 0.045 0.000 1.337 210 L HN 0.187 nan 8.230 nan 0.000 0.563 211 G N 1.676 110.537 108.800 0.101 0.000 2.203 211 G HA2 -0.282 3.349 3.960 -0.549 0.000 0.263 211 G HA3 -0.282 3.349 3.960 -0.549 0.000 0.263 211 G C 0.316 175.372 174.900 0.261 0.000 1.012 211 G CA 0.336 45.541 45.100 0.174 0.000 0.749 211 G HN 0.253 nan 8.290 nan 0.000 0.512 212 L N -1.173 120.161 121.223 0.186 0.000 2.479 212 L HA 0.656 4.667 4.340 -0.549 0.000 0.248 212 L C 0.990 178.020 176.870 0.267 0.000 1.205 212 L CA -0.506 54.465 54.840 0.220 0.000 0.817 212 L CB 0.942 43.070 42.059 0.116 0.000 1.162 212 L HN 0.348 nan 8.230 nan 0.000 0.486 213 M N 0.715 120.460 119.600 0.242 0.000 2.456 213 M HA 0.512 4.662 4.480 -0.549 0.000 0.324 213 M C -0.360 175.966 176.300 0.044 0.000 1.124 213 M CA -0.653 54.713 55.300 0.110 0.000 0.959 213 M CB 1.827 34.434 32.600 0.012 0.000 1.692 213 M HN 0.642 nan 8.290 nan 0.000 0.444 214 A N 3.553 126.376 122.820 0.006 0.000 2.584 214 A HA 0.391 4.382 4.320 -0.549 0.000 0.239 214 A C -0.365 177.194 177.584 -0.043 0.000 1.043 214 A CA -0.018 52.012 52.037 -0.012 0.000 0.756 214 A CB -0.693 18.294 19.000 -0.022 0.000 0.963 214 A HN 0.905 nan 8.150 nan 0.000 0.511 215 V N 1.007 120.890 119.914 -0.052 0.000 3.074 215 V HA 0.554 4.345 4.120 -0.549 0.000 0.314 215 V C 0.208 176.178 176.094 -0.207 0.000 1.117 215 V CA -1.524 60.702 62.300 -0.122 0.000 1.014 215 V CB 1.726 33.501 31.823 -0.079 0.000 1.057 215 V HN 0.828 nan 8.190 nan 0.000 0.438 216 N N 1.775 120.258 118.700 -0.361 0.000 2.492 216 N HA 0.147 4.558 4.740 -0.549 0.000 0.262 216 N C 0.643 175.779 175.510 -0.624 0.000 1.202 216 N CA 0.160 52.914 53.050 -0.494 0.000 0.926 216 N CB 1.378 39.495 38.487 -0.618 0.000 1.078 216 N HN 0.821 nan 8.380 nan 0.000 0.454 217 Q N 2.079 121.657 119.800 -0.369 0.000 2.396 217 Q HA 0.022 4.033 4.340 -0.549 0.000 0.220 217 Q C 0.820 176.742 176.000 -0.130 0.000 0.900 217 Q CA 0.593 56.306 55.803 -0.150 0.000 0.925 217 Q CB 0.204 28.965 28.738 0.038 0.000 1.065 217 Q HN 0.579 nan 8.270 nan 0.000 0.535 218 E N 1.696 121.789 120.200 -0.179 0.000 2.028 218 E HA 0.020 4.041 4.350 -0.549 0.000 0.190 218 E C 0.334 176.872 176.600 -0.102 0.000 0.984 218 E CA 1.048 57.434 56.400 -0.023 0.000 0.800 218 E CB 0.091 29.876 29.700 0.142 0.000 0.758 218 E HN 0.268 nan 8.360 nan 0.000 0.448 219 A N -0.589 122.041 122.820 -0.317 0.000 2.337 219 A HA 0.637 4.627 4.320 -0.549 0.000 0.331 219 A C -1.526 175.716 177.584 -0.569 0.000 1.137 219 A CA -0.545 51.388 52.037 -0.174 0.000 0.807 219 A CB 0.620 19.695 19.000 0.126 0.000 1.250 219 A HN 0.224 nan 8.150 nan 0.000 0.468 220 W N 0.238 121.576 121.300 0.063 0.000 2.957 220 W HA 0.425 4.757 4.660 -0.547 0.000 0.336 220 W C -0.891 175.450 176.519 -0.296 0.000 1.087 220 W CA -0.304 56.955 57.345 -0.144 0.000 1.235 220 W CB 1.828 31.236 29.460 -0.086 0.000 1.399 220 W HN 0.631 nan 8.180 nan 0.000 0.480 221 D N 2.967 123.124 120.400 -0.406 0.000 2.524 221 D HA 0.101 4.412 4.640 -0.549 0.000 0.222 221 D C 0.417 176.568 176.300 -0.248 0.000 1.142 221 D CA 0.259 53.952 54.000 -0.513 0.000 0.973 221 D CB -0.310 40.009 40.800 -0.801 0.000 1.025 221 D HN 0.496 nan 8.370 nan 0.000 0.519 222 H N 1.634 120.728 119.070 0.040 0.000 2.756 222 H HA -0.183 4.043 4.556 -0.549 0.000 0.315 222 H C 1.350 176.726 175.328 0.080 0.000 1.210 222 H CA 1.002 57.081 56.048 0.052 0.000 1.150 222 H CB -1.602 28.186 29.762 0.043 0.000 1.463 222 H HN 0.682 nan 8.280 nan 0.000 0.427 223 G N -1.116 107.753 108.800 0.115 0.000 2.234 223 G HA2 -0.328 3.303 3.960 -0.549 0.000 0.260 223 G HA3 -0.328 3.303 3.960 -0.549 0.000 0.260 223 G C 0.386 175.334 174.900 0.079 0.000 0.987 223 G CA 0.432 45.558 45.100 0.042 0.000 0.625 223 G HN 0.479 nan 8.290 nan 0.000 0.532 224 L N 0.742 122.011 121.223 0.076 0.000 2.375 224 L HA 0.762 4.773 4.340 -0.549 0.000 0.268 224 L C 1.086 177.926 176.870 -0.050 0.000 1.058 224 L CA -0.542 54.295 54.840 -0.005 0.000 0.803 224 L CB 1.478 43.489 42.059 -0.081 0.000 1.212 224 L HN 0.293 nan 8.230 nan 0.000 0.451 225 A N 1.497 124.272 122.820 -0.075 0.000 2.332 225 A HA 0.493 4.484 4.320 -0.549 0.000 0.258 225 A C -1.049 176.340 177.584 -0.326 0.000 1.087 225 A CA -0.002 51.957 52.037 -0.130 0.000 0.802 225 A CB 0.281 19.248 19.000 -0.056 0.000 1.042 225 A HN 0.607 nan 8.150 nan 0.000 0.489 226 Y N 0.106 120.213 120.300 -0.322 0.000 2.587 226 Y HA 0.443 4.663 4.550 -0.550 0.000 0.337 226 Y C -2.002 173.566 175.900 -0.552 0.000 1.065 226 Y CA -2.540 55.276 58.100 -0.474 0.000 1.126 226 Y CB 2.091 40.278 38.460 -0.455 0.000 1.279 226 Y HN 0.455 nan 8.280 nan 0.000 0.489 227 P HA 0.129 nan 4.420 nan 0.000 0.274 227 P C -2.664 174.435 177.300 -0.335 0.000 1.237 227 P CA -1.279 61.526 63.100 -0.491 0.000 0.793 227 P CB 0.113 31.416 31.700 -0.661 0.000 0.977 228 P HA 0.128 nan 4.420 nan 0.000 0.272 228 P C -0.528 176.795 177.300 0.039 0.000 1.230 228 P CA 0.110 63.134 63.100 -0.127 0.000 0.788 228 P CB 0.196 31.863 31.700 -0.054 0.000 0.949 229 F N 0.701 120.699 119.950 0.081 0.000 2.410 229 F HA 0.202 4.398 4.527 -0.552 0.000 0.334 229 F C 1.448 177.273 175.800 0.041 0.000 1.134 229 F CA -0.274 57.771 58.000 0.075 0.000 1.227 229 F CB -0.176 38.843 39.000 0.030 0.000 1.194 229 F HN 0.205 nan 8.300 nan 0.000 0.571 230 N N 2.736 121.590 118.700 0.257 0.000 2.767 230 N HA 0.026 4.437 4.740 -0.549 0.000 0.238 230 N C -0.619 174.933 175.510 0.069 0.000 1.083 230 N CA -0.110 53.013 53.050 0.121 0.000 0.964 230 N CB -0.501 38.036 38.487 0.083 0.000 1.252 230 N HN 0.354 nan 8.380 nan 0.000 0.512 231 N N 2.596 121.340 118.700 0.073 0.000 3.210 231 N HA 0.036 4.447 4.740 -0.549 0.000 0.314 231 N C -0.778 174.739 175.510 0.013 0.000 1.291 231 N CA 0.189 53.260 53.050 0.035 0.000 1.202 231 N CB 0.287 38.805 38.487 0.051 0.000 1.475 231 N HN 0.214 nan 8.380 nan 0.000 0.554 232 V N 1.335 121.249 119.914 0.001 0.000 2.289 232 V HA 0.188 3.979 4.120 -0.549 0.000 0.272 232 V C 0.204 176.284 176.094 -0.024 0.000 1.026 232 V CA -0.792 61.502 62.300 -0.010 0.000 0.807 232 V CB 0.902 32.720 31.823 -0.008 0.000 1.044 232 V HN 0.099 nan 8.190 nan 0.000 0.443 233 K N 4.853 125.237 120.400 -0.027 0.000 2.174 233 K HA 0.569 4.560 4.320 -0.549 0.000 0.275 233 K C -2.029 174.550 176.600 -0.035 0.000 1.015 233 K CA -1.288 54.979 56.287 -0.033 0.000 0.933 233 K CB 0.968 33.449 32.500 -0.031 0.000 1.025 233 K HN 0.464 nan 8.250 nan 0.000 0.463 234 P HA 0.121 nan 4.420 nan 0.000 0.282 234 P C -1.115 176.156 177.300 -0.048 0.000 1.249 234 P CA -0.607 62.470 63.100 -0.038 0.000 0.806 234 P CB 1.389 33.066 31.700 -0.037 0.000 0.984 235 S N 1.193 116.871 115.700 -0.036 0.000 2.536 235 S HA 0.535 4.675 4.470 -0.549 0.000 0.298 235 S C -2.114 172.477 174.600 -0.014 0.000 1.083 235 S CA -1.272 56.904 58.200 -0.041 0.000 0.995 235 S CB 1.791 64.966 63.200 -0.041 0.000 1.058 235 S HN 0.127 nan 8.310 nan 0.000 0.488 236 P HA 0.073 nan 4.420 nan 0.000 0.217 236 P C 1.088 178.438 177.300 0.083 0.000 1.150 236 P CA 0.715 63.805 63.100 -0.018 0.000 0.832 236 P CB -0.170 31.314 31.700 -0.361 0.000 0.787 237 c N -0.399 118.248 118.600 0.077 0.000 2.425 237 c HA -0.090 4.151 4.570 -0.549 0.000 0.277 237 c C 2.537 176.651 174.090 0.040 0.000 1.280 237 c CA 0.770 57.153 56.329 0.090 0.000 1.744 237 c CB -1.491 41.038 42.510 0.032 0.000 1.989 237 c HN 0.353 nan 8.230 nan 0.000 0.491 238 E N -0.151 120.049 120.200 0.000 0.000 2.072 238 E HA -0.187 3.834 4.350 -0.549 0.000 0.191 238 E C 1.827 178.409 176.600 -0.029 0.000 0.985 238 E CA 1.059 57.426 56.400 -0.055 0.000 0.801 238 E CB -0.294 29.356 29.700 -0.083 0.000 0.750 238 E HN 0.735 nan 8.360 nan 0.000 0.452 239 F N 2.130 122.037 119.950 -0.071 0.000 2.161 239 F HA -0.215 3.983 4.527 -0.550 0.000 0.300 239 F C 2.132 177.900 175.800 -0.053 0.000 1.089 239 F CA 1.620 59.596 58.000 -0.039 0.000 1.282 239 F CB -0.166 38.867 39.000 0.054 0.000 1.010 239 F HN -0.005 nan 8.300 nan 0.000 0.485 240 I N -1.335 119.220 120.570 -0.026 0.000 2.315 240 I HA -0.154 3.687 4.170 -0.549 0.000 0.248 240 I C 0.509 176.504 176.117 -0.202 0.000 1.117 240 I CA 1.434 62.673 61.300 -0.102 0.000 1.404 240 I CB -0.515 37.494 38.000 0.015 0.000 1.071 240 I HN 0.159 nan 8.210 nan 0.000 0.419 241 N N 1.260 119.814 118.700 -0.243 0.000 2.617 241 N HA 0.124 4.535 4.740 -0.549 0.000 0.263 241 N C 0.691 175.964 175.510 -0.394 0.000 1.074 241 N CA 0.318 53.112 53.050 -0.426 0.000 0.841 241 N CB 1.288 39.258 38.487 -0.862 0.000 1.221 241 N HN 0.324 nan 8.380 nan 0.000 0.529 242 T N -0.567 113.766 114.554 -0.367 0.000 2.867 242 T HA -0.093 3.928 4.350 -0.549 0.000 0.268 242 T C 1.487 175.961 174.700 -0.376 0.000 1.057 242 T CA 1.450 63.331 62.100 -0.365 0.000 1.136 242 T CB -0.295 68.382 68.868 -0.318 0.000 0.874 242 T HN 0.311 nan 8.240 nan 0.000 0.466 243 T N 1.867 116.263 114.554 -0.264 0.000 2.867 243 T HA 0.175 4.195 4.350 -0.549 0.000 0.268 243 T C 2.390 177.120 174.700 0.051 0.000 1.057 243 T CA 1.047 63.084 62.100 -0.105 0.000 1.136 243 T CB -0.612 68.162 68.868 -0.157 0.000 0.874 243 T HN 0.616 nan 8.240 nan 0.000 0.466 244 A N 0.602 123.338 122.820 -0.140 0.000 1.897 244 A HA 0.002 3.992 4.320 -0.549 0.000 0.215 244 A C 1.028 178.703 177.584 0.152 0.000 1.181 244 A CA 1.639 53.626 52.037 -0.083 0.000 0.620 244 A CB -0.495 18.306 19.000 -0.330 0.000 0.821 244 A HN 0.630 nan 8.150 nan 0.000 0.443 245 H N -3.130 115.834 119.070 -0.176 0.000 3.109 245 H HA -0.115 4.112 4.556 -0.549 0.000 0.245 245 H C -0.435 174.771 175.328 -0.203 0.000 1.187 245 H CA 0.309 56.263 56.048 -0.157 0.000 1.136 245 H CB -2.510 27.177 29.762 -0.125 0.000 1.243 245 H HN 0.281 nan 8.280 nan 0.000 0.328 246 V N 2.252 122.109 119.914 -0.095 0.000 2.348 246 V HA 0.314 4.105 4.120 -0.549 0.000 0.270 246 V C -1.477 174.445 176.094 -0.288 0.000 1.037 246 V CA -1.306 60.863 62.300 -0.218 0.000 0.872 246 V CB 1.163 32.964 31.823 -0.037 0.000 1.002 246 V HN 0.057 nan 8.190 nan 0.000 0.464 247 P HA 0.252 nan 4.420 nan 0.000 0.279 247 P C -0.198 176.937 177.300 -0.275 0.000 1.282 247 P CA -0.572 62.312 63.100 -0.360 0.000 0.788 247 P CB 0.820 32.277 31.700 -0.404 0.000 1.139 248 c N -0.319 118.215 118.600 -0.111 0.000 2.656 248 c HA 0.315 4.555 4.570 -0.549 0.000 0.391 248 c C 0.997 175.120 174.090 0.055 0.000 1.300 248 c CA -0.186 56.104 56.329 -0.065 0.000 2.302 248 c CB -1.330 41.211 42.510 0.051 0.000 2.655 248 c HN 0.362 nan 8.230 nan 0.000 0.656 249 F N 0.984 120.993 119.950 0.098 0.000 2.444 249 F HA 0.332 4.526 4.527 -0.555 0.000 0.331 249 F C 0.602 176.397 175.800 -0.008 0.000 1.167 249 F CA -0.107 57.917 58.000 0.042 0.000 1.262 249 F CB 0.291 39.259 39.000 -0.053 0.000 1.196 249 F HN 0.508 nan 8.300 nan 0.000 0.583 250 Q N 1.434 121.351 119.800 0.194 0.000 2.325 250 Q HA 0.689 4.700 4.340 -0.549 0.000 0.270 250 Q C -1.371 174.615 176.000 -0.022 0.000 1.020 250 Q CA -0.562 55.277 55.803 0.060 0.000 0.785 250 Q CB 1.624 30.399 28.738 0.062 0.000 1.259 250 Q HN 0.843 nan 8.270 nan 0.000 0.452 251 A N 2.130 124.904 122.820 -0.076 0.000 2.470 251 A HA 0.747 4.738 4.320 -0.549 0.000 0.271 251 A C 0.653 178.211 177.584 -0.043 0.000 1.269 251 A CA -0.102 51.883 52.037 -0.087 0.000 0.828 251 A CB 0.632 19.526 19.000 -0.176 0.000 1.374 251 A HN 0.813 nan 8.150 nan 0.000 0.454 252 G N -1.001 107.793 108.800 -0.009 0.000 2.776 252 G HA2 0.263 3.894 3.960 -0.549 0.000 0.209 252 G HA3 0.263 3.894 3.960 -0.549 0.000 0.209 252 G C -0.059 174.853 174.900 0.019 0.000 1.145 252 G CA 1.262 46.373 45.100 0.020 0.000 0.791 252 G HN 0.736 nan 8.290 nan 0.000 0.530 253 D N -1.710 118.684 120.400 -0.011 0.000 2.649 253 D HA 0.447 4.758 4.640 -0.549 0.000 0.249 253 D C 1.285 177.502 176.300 -0.138 0.000 1.112 253 D CA -0.560 53.395 54.000 -0.075 0.000 0.850 253 D CB 1.625 42.405 40.800 -0.034 0.000 1.399 253 D HN -0.127 nan 8.370 nan 0.000 0.503 254 S N 2.239 117.828 115.700 -0.185 0.000 2.419 254 S HA -0.151 3.990 4.470 -0.549 0.000 0.235 254 S C 1.429 175.949 174.600 -0.133 0.000 1.019 254 S CA 0.990 59.112 58.200 -0.130 0.000 0.982 254 S CB -0.099 63.059 63.200 -0.069 0.000 0.789 254 S HN 0.516 nan 8.310 nan 0.000 0.490 255 R N 1.276 121.630 120.500 -0.243 0.000 2.320 255 R HA 0.389 4.400 4.340 -0.549 0.000 0.211 255 R C 1.929 178.209 176.300 -0.034 0.000 0.931 255 R CA 0.500 56.523 56.100 -0.128 0.000 1.071 255 R CB -0.467 29.686 30.300 -0.246 0.000 1.025 255 R HN 0.343 nan 8.270 nan 0.000 0.495 256 A N 0.373 123.127 122.820 -0.110 0.000 1.940 256 A HA -0.143 3.847 4.320 -0.549 0.000 0.219 256 A C 1.676 179.193 177.584 -0.110 0.000 1.176 256 A CA 1.711 53.594 52.037 -0.256 0.000 0.631 256 A CB -0.164 18.463 19.000 -0.621 0.000 0.814 256 A HN 0.250 nan 8.150 nan 0.000 0.446 257 S N -0.842 114.826 115.700 -0.053 0.000 2.582 257 S HA 0.074 4.215 4.470 -0.549 0.000 0.234 257 S C 1.424 175.848 174.600 -0.293 0.000 0.961 257 S CA 0.207 58.379 58.200 -0.047 0.000 0.953 257 S CB 0.127 63.365 63.200 0.063 0.000 0.800 257 S HN 0.709 nan 8.310 nan 0.000 0.471 258 E N 1.964 121.896 120.200 -0.446 0.000 2.077 258 E HA -0.188 3.833 4.350 -0.549 0.000 0.193 258 E C 0.663 176.869 176.600 -0.657 0.000 0.989 258 E CA 1.050 56.842 56.400 -1.012 0.000 0.800 258 E CB 0.170 29.583 29.700 -0.479 0.000 0.746 258 E HN 0.746 nan 8.360 nan 0.000 0.452 259 Q N -1.195 118.457 119.800 -0.246 0.000 2.528 259 Q HA 0.337 4.348 4.340 -0.549 0.000 0.289 259 Q C 0.923 176.882 176.000 -0.068 0.000 1.091 259 Q CA -0.519 55.242 55.803 -0.069 0.000 0.797 259 Q CB 1.013 29.788 28.738 0.062 0.000 1.466 259 Q HN 0.080 nan 8.270 nan 0.000 0.436 260 I N 0.281 120.812 120.570 -0.065 0.000 2.315 260 I HA -0.153 3.687 4.170 -0.549 0.000 0.248 260 I C 1.179 177.289 176.117 -0.010 0.000 1.117 260 I CA 1.073 62.336 61.300 -0.063 0.000 1.404 260 I CB 0.169 38.100 38.000 -0.115 0.000 1.071 260 I HN 0.747 nan 8.210 nan 0.000 0.419 261 L N -0.237 120.984 121.223 -0.003 0.000 2.240 261 L HA -0.129 3.882 4.340 -0.549 0.000 0.211 261 L C 2.309 179.205 176.870 0.044 0.000 1.106 261 L CA 0.331 55.187 54.840 0.027 0.000 0.793 261 L CB -0.445 41.631 42.059 0.027 0.000 0.927 261 L HN 0.312 nan 8.230 nan 0.000 0.446 262 L N 0.409 121.645 121.223 0.022 0.000 2.109 262 L HA -0.028 3.982 4.340 -0.549 0.000 0.207 262 L C 2.537 179.502 176.870 0.158 0.000 1.086 262 L CA 1.823 56.683 54.840 0.034 0.000 0.760 262 L CB -0.608 41.428 42.059 -0.040 0.000 0.910 262 L HN 0.106 nan 8.230 nan 0.000 0.437 263 A N -1.665 121.236 122.820 0.136 0.000 2.015 263 A HA -0.112 3.879 4.320 -0.549 0.000 0.219 263 A C 2.189 179.897 177.584 0.207 0.000 1.163 263 A CA 1.850 54.016 52.037 0.215 0.000 0.646 263 A CB -0.966 18.189 19.000 0.257 0.000 0.806 263 A HN 0.501 nan 8.150 nan 0.000 0.448 264 T N -0.432 114.212 114.554 0.149 0.000 2.770 264 T HA -0.089 3.932 4.350 -0.549 0.000 0.263 264 T C 1.830 176.599 174.700 0.116 0.000 1.039 264 T CA 1.632 63.805 62.100 0.121 0.000 1.142 264 T CB -0.320 68.605 68.868 0.094 0.000 0.868 264 T HN 0.157 nan 8.240 nan 0.000 0.435 265 V N 1.169 121.164 119.914 0.136 0.000 2.759 265 V HA -0.137 3.654 4.120 -0.549 0.000 0.256 265 V C 2.342 178.466 176.094 0.050 0.000 1.080 265 V CA 1.283 63.676 62.300 0.156 0.000 1.101 265 V CB -0.723 31.237 31.823 0.229 0.000 0.698 265 V HN 0.578 nan 8.190 nan 0.000 0.477 266 H N 0.440 119.518 119.070 0.014 0.000 2.389 266 H HA -0.106 4.114 4.556 -0.560 0.000 0.299 266 H C 2.458 177.724 175.328 -0.103 0.000 1.081 266 H CA 2.029 58.049 56.048 -0.046 0.000 1.345 266 H CB -0.058 29.677 29.762 -0.044 0.000 1.393 266 H HN 0.424 nan 8.280 nan 0.000 0.520 267 T N 1.238 115.801 114.554 0.016 0.000 2.737 267 T HA -0.070 3.951 4.350 -0.549 0.000 0.265 267 T C 2.457 177.110 174.700 -0.078 0.000 1.038 267 T CA 0.629 62.683 62.100 -0.077 0.000 1.144 267 T CB -0.286 68.559 68.868 -0.039 0.000 0.866 267 T HN 0.185 nan 8.240 nan 0.000 0.434 268 L N 0.452 121.643 121.223 -0.054 0.000 2.046 268 L HA -0.065 3.945 4.340 -0.549 0.000 0.208 268 L C 2.510 179.296 176.870 -0.139 0.000 1.077 268 L CA 1.167 55.943 54.840 -0.106 0.000 0.747 268 L CB -0.636 41.360 42.059 -0.105 0.000 0.896 268 L HN 0.255 nan 8.230 nan 0.000 0.432 269 L N -0.807 120.352 121.223 -0.106 0.000 2.027 269 L HA -0.233 3.778 4.340 -0.549 0.000 0.206 269 L C 2.585 179.375 176.870 -0.133 0.000 1.074 269 L CA 0.930 55.690 54.840 -0.134 0.000 0.745 269 L CB -0.480 41.508 42.059 -0.119 0.000 0.898 269 L HN 0.230 nan 8.230 nan 0.000 0.433 270 L N -0.102 121.048 121.223 -0.122 0.000 2.079 270 L HA -0.224 3.787 4.340 -0.549 0.000 0.210 270 L C 2.799 179.633 176.870 -0.060 0.000 1.081 270 L CA 1.644 56.417 54.840 -0.110 0.000 0.752 270 L CB -0.369 41.615 42.059 -0.125 0.000 0.896 270 L HN 0.089 nan 8.230 nan 0.000 0.433 271 R N -0.772 119.671 120.500 -0.095 0.000 2.081 271 R HA -0.169 3.842 4.340 -0.549 0.000 0.235 271 R C 2.226 178.463 176.300 -0.105 0.000 1.131 271 R CA 1.666 57.707 56.100 -0.099 0.000 0.960 271 R CB -0.308 29.914 30.300 -0.129 0.000 0.856 271 R HN 0.486 nan 8.270 nan 0.000 0.436 272 E N -0.436 119.677 120.200 -0.145 0.000 2.358 272 E HA -0.163 3.858 4.350 -0.549 0.000 0.195 272 E C 1.628 178.150 176.600 -0.130 0.000 1.010 272 E CA 0.422 56.711 56.400 -0.185 0.000 0.856 272 E CB 0.141 29.657 29.700 -0.308 0.000 0.795 272 E HN 0.380 nan 8.360 nan 0.000 0.504 273 H N 1.185 120.181 119.070 -0.124 0.000 2.293 273 H HA -0.083 4.144 4.556 -0.548 0.000 0.300 273 H C 1.796 177.106 175.328 -0.031 0.000 1.082 273 H CA 2.334 58.358 56.048 -0.039 0.000 1.308 273 H CB 0.033 29.805 29.762 0.016 0.000 1.375 273 H HN 0.053 nan 8.280 nan 0.000 0.495 274 N N 0.298 118.955 118.700 -0.070 0.000 2.223 274 N HA -0.135 4.276 4.740 -0.549 0.000 0.185 274 N C 2.031 177.455 175.510 -0.143 0.000 1.016 274 N CA 1.014 54.005 53.050 -0.098 0.000 0.863 274 N CB -0.350 38.148 38.487 0.020 0.000 0.983 274 N HN 0.436 nan 8.380 nan 0.000 0.429 275 R N 0.659 121.074 120.500 -0.142 0.000 2.075 275 R HA 0.041 4.052 4.340 -0.549 0.000 0.232 275 R C 2.089 178.285 176.300 -0.172 0.000 1.126 275 R CA 0.701 56.714 56.100 -0.144 0.000 0.963 275 R CB -0.163 30.048 30.300 -0.148 0.000 0.858 275 R HN 0.158 nan 8.270 nan 0.000 0.435 276 L N 0.191 121.285 121.223 -0.216 0.000 2.017 276 L HA -0.119 3.892 4.340 -0.549 0.000 0.208 276 L C 2.725 179.464 176.870 -0.218 0.000 1.073 276 L CA 1.363 56.059 54.840 -0.240 0.000 0.745 276 L CB -0.553 41.348 42.059 -0.264 0.000 0.894 276 L HN 0.263 nan 8.230 nan 0.000 0.432 277 A N 0.126 122.786 122.820 -0.267 0.000 1.908 277 A HA -0.231 3.760 4.320 -0.549 0.000 0.218 277 A C 2.406 179.929 177.584 -0.101 0.000 1.181 277 A CA 1.776 53.692 52.037 -0.202 0.000 0.627 277 A CB -0.480 18.345 19.000 -0.293 0.000 0.818 277 A HN 0.345 nan 8.150 nan 0.000 0.445 278 R N -0.971 119.465 120.500 -0.106 0.000 2.073 278 R HA -0.025 3.986 4.340 -0.549 0.000 0.229 278 R C 2.048 178.302 176.300 -0.078 0.000 1.120 278 R CA 1.055 57.112 56.100 -0.072 0.000 0.967 278 R CB -0.193 30.067 30.300 -0.067 0.000 0.862 278 R HN 0.430 nan 8.270 nan 0.000 0.436 279 E N 0.857 120.995 120.200 -0.104 0.000 2.204 279 E HA -0.117 3.904 4.350 -0.549 0.000 0.194 279 E C 1.945 178.478 176.600 -0.112 0.000 0.989 279 E CA 0.865 57.201 56.400 -0.107 0.000 0.824 279 E CB 0.093 29.715 29.700 -0.129 0.000 0.756 279 E HN 0.353 nan 8.360 nan 0.000 0.477 280 L N 0.266 121.426 121.223 -0.105 0.000 2.240 280 L HA -0.057 3.953 4.340 -0.549 0.000 0.211 280 L C 2.519 179.314 176.870 -0.126 0.000 1.106 280 L CA 0.754 55.537 54.840 -0.094 0.000 0.793 280 L CB -0.136 41.948 42.059 0.042 0.000 0.927 280 L HN -0.045 nan 8.230 nan 0.000 0.446 281 K N 0.148 120.507 120.400 -0.067 0.000 2.305 281 K HA -0.044 3.946 4.320 -0.549 0.000 0.199 281 K C 2.137 178.686 176.600 -0.087 0.000 1.047 281 K CA 0.327 56.575 56.287 -0.065 0.000 0.976 281 K CB 0.267 32.762 32.500 -0.008 0.000 0.765 281 K HN 0.203 nan 8.250 nan 0.000 0.474 282 R N 0.281 120.731 120.500 -0.083 0.000 2.073 282 R HA -0.066 3.945 4.340 -0.549 0.000 0.234 282 R C 2.232 178.476 176.300 -0.093 0.000 1.134 282 R CA 1.292 57.347 56.100 -0.074 0.000 0.952 282 R CB -0.094 30.166 30.300 -0.067 0.000 0.850 282 R HN 0.128 nan 8.270 nan 0.000 0.433 283 L N -0.200 120.944 121.223 -0.132 0.000 2.162 283 L HA -0.009 4.001 4.340 -0.549 0.000 0.205 283 L C 0.328 177.054 176.870 -0.240 0.000 1.086 283 L CA 0.659 55.409 54.840 -0.149 0.000 0.778 283 L CB 0.074 42.053 42.059 -0.132 0.000 0.928 283 L HN 0.090 nan 8.230 nan 0.000 0.446 284 N N -0.170 118.283 118.700 -0.413 0.000 2.904 284 N HA 0.192 4.603 4.740 -0.549 0.000 0.257 284 N C -2.108 173.093 175.510 -0.515 0.000 1.363 284 N CA -0.955 51.666 53.050 -0.715 0.000 0.856 284 N CB 1.333 38.783 38.487 -1.729 0.000 1.166 284 N HN -0.062 nan 8.380 nan 0.000 0.499 285 P HA -0.110 nan 4.420 nan 0.000 0.223 285 P C 1.185 178.497 177.300 0.019 0.000 1.151 285 P CA 1.122 64.192 63.100 -0.050 0.000 0.787 285 P CB 0.018 31.730 31.700 0.020 0.000 0.788 286 H N -3.870 115.210 119.070 0.018 0.000 2.551 286 H HA 0.003 4.230 4.556 -0.548 0.000 0.266 286 H C 0.044 175.533 175.328 0.268 0.000 0.977 286 H CA -0.166 55.950 56.048 0.113 0.000 1.163 286 H CB -0.803 29.019 29.762 0.100 0.000 1.381 286 H HN 0.074 nan 8.280 nan 0.000 0.581 287 W N 4.716 125.853 121.300 -0.272 0.000 2.216 287 W HA 0.097 4.427 4.660 -0.550 0.000 0.326 287 W C 0.613 177.112 176.519 -0.033 0.000 1.319 287 W CA -0.736 56.519 57.345 -0.149 0.000 1.213 287 W CB 0.424 29.784 29.460 -0.166 0.000 1.171 287 W HN 0.296 nan 8.180 nan 0.000 0.557 288 D N 0.407 120.903 120.400 0.160 0.000 2.383 288 D HA 0.159 4.470 4.640 -0.549 0.000 0.248 288 D C 1.378 177.721 176.300 0.072 0.000 1.170 288 D CA -0.100 53.955 54.000 0.092 0.000 0.977 288 D CB 0.366 41.197 40.800 0.052 0.000 1.120 288 D HN 0.468 nan 8.370 nan 0.000 0.481 289 G N -0.307 108.528 108.800 0.057 0.000 2.450 289 G HA2 -0.326 3.305 3.960 -0.549 0.000 0.220 289 G HA3 -0.326 3.305 3.960 -0.549 0.000 0.220 289 G C 1.353 176.283 174.900 0.050 0.000 1.130 289 G CA 1.049 46.184 45.100 0.058 0.000 0.760 289 G HN 0.596 nan 8.290 nan 0.000 0.557 290 E N 0.185 120.393 120.200 0.013 0.000 2.047 290 E HA -0.019 4.002 4.350 -0.549 0.000 0.191 290 E C 2.589 179.155 176.600 -0.058 0.000 0.987 290 E CA 0.889 57.289 56.400 0.000 0.000 0.799 290 E CB -0.324 29.368 29.700 -0.013 0.000 0.752 290 E HN 0.372 nan 8.360 nan 0.000 0.449 291 M N -0.265 119.251 119.600 -0.141 0.000 2.108 291 M HA -0.189 3.961 4.480 -0.549 0.000 0.261 291 M C 2.181 178.323 176.300 -0.263 0.000 1.066 291 M CA 1.274 56.374 55.300 -0.333 0.000 1.107 291 M CB -0.354 31.831 32.600 -0.693 0.000 1.356 291 M HN 0.194 nan 8.290 nan 0.000 0.406 292 L N -1.239 119.956 121.223 -0.047 0.000 1.955 292 L HA -0.284 3.727 4.340 -0.549 0.000 0.213 292 L C 2.557 179.448 176.870 0.034 0.000 1.072 292 L CA 1.897 56.786 54.840 0.081 0.000 0.755 292 L CB -1.174 40.967 42.059 0.136 0.000 0.888 292 L HN 0.231 nan 8.230 nan 0.000 0.432 293 Y N 0.533 120.815 120.300 -0.030 0.000 2.102 293 Y HA -0.349 3.872 4.550 -0.550 0.000 0.280 293 Y C 2.740 178.572 175.900 -0.113 0.000 1.178 293 Y CA 1.863 59.987 58.100 0.039 0.000 1.146 293 Y CB -0.235 38.236 38.460 0.018 0.000 0.968 293 Y HN 0.211 nan 8.280 nan 0.000 0.504 294 Q N 0.018 119.589 119.800 -0.381 0.000 2.083 294 Q HA -0.149 3.862 4.340 -0.549 0.000 0.198 294 Q C 2.146 177.792 176.000 -0.591 0.000 0.969 294 Q CA 1.428 56.767 55.803 -0.773 0.000 0.838 294 Q CB -0.299 27.690 28.738 -1.248 0.000 0.900 294 Q HN 0.576 nan 8.270 nan 0.000 0.436 295 E N 0.798 120.802 120.200 -0.325 0.000 2.072 295 E HA -0.089 3.932 4.350 -0.549 0.000 0.191 295 E C 1.895 178.499 176.600 0.006 0.000 0.985 295 E CA 1.043 57.439 56.400 -0.007 0.000 0.801 295 E CB -0.116 29.677 29.700 0.155 0.000 0.750 295 E HN 0.294 nan 8.360 nan 0.000 0.452 296 A N 1.323 124.082 122.820 -0.101 0.000 1.877 296 A HA -0.193 3.798 4.320 -0.549 0.000 0.216 296 A C 2.227 179.769 177.584 -0.070 0.000 1.186 296 A CA 1.728 53.689 52.037 -0.125 0.000 0.620 296 A CB -0.532 18.301 19.000 -0.279 0.000 0.822 296 A HN 0.159 nan 8.150 nan 0.000 0.443 297 R N -0.239 120.094 120.500 -0.277 0.000 2.127 297 R HA -0.171 3.840 4.340 -0.549 0.000 0.238 297 R C 2.183 178.347 176.300 -0.227 0.000 1.134 297 R CA 1.972 57.725 56.100 -0.579 0.000 0.975 297 R CB -0.211 29.325 30.300 -1.273 0.000 0.865 297 R HN 0.552 nan 8.270 nan 0.000 0.447 298 K N 0.178 120.533 120.400 -0.075 0.000 2.076 298 K HA -0.046 3.945 4.320 -0.549 0.000 0.204 298 K C 1.995 178.846 176.600 0.418 0.000 1.051 298 K CA 1.274 57.664 56.287 0.173 0.000 0.949 298 K CB 0.009 32.648 32.500 0.232 0.000 0.726 298 K HN 0.169 nan 8.250 nan 0.000 0.443 299 I N 1.002 121.767 120.570 0.326 0.000 2.179 299 I HA -0.274 3.567 4.170 -0.549 0.000 0.242 299 I C 2.253 178.466 176.117 0.160 0.000 1.088 299 I CA 0.634 62.066 61.300 0.219 0.000 1.357 299 I CB -0.261 37.706 38.000 -0.053 0.000 1.051 299 I HN 0.157 nan 8.210 nan 0.000 0.409 300 L N 1.346 122.653 121.223 0.140 0.000 2.083 300 L HA -0.070 3.941 4.340 -0.549 0.000 0.209 300 L C 2.362 179.395 176.870 0.272 0.000 1.083 300 L CA 2.056 57.002 54.840 0.177 0.000 0.752 300 L CB -1.273 40.907 42.059 0.202 0.000 0.899 300 L HN 0.217 nan 8.230 nan 0.000 0.433 301 G N -0.905 108.040 108.800 0.241 0.000 2.545 301 G HA2 -0.350 3.281 3.960 -0.549 0.000 0.217 301 G HA3 -0.350 3.281 3.960 -0.549 0.000 0.217 301 G C 1.637 176.663 174.900 0.209 0.000 1.218 301 G CA 1.175 46.417 45.100 0.238 0.000 0.787 301 G HN 0.621 nan 8.290 nan 0.000 0.571 302 A N 0.219 123.156 122.820 0.196 0.000 1.948 302 A HA -0.059 3.932 4.320 -0.549 0.000 0.220 302 A C 2.197 179.663 177.584 -0.197 0.000 1.177 302 A CA 1.877 53.883 52.037 -0.052 0.000 0.636 302 A CB -0.625 18.305 19.000 -0.115 0.000 0.815 302 A HN 0.476 nan 8.150 nan 0.000 0.449 303 F N 0.682 120.555 119.950 -0.129 0.000 2.043 303 F HA -0.211 3.981 4.527 -0.557 0.000 0.297 303 F C 1.994 177.814 175.800 0.034 0.000 1.121 303 F CA 2.216 60.163 58.000 -0.088 0.000 1.199 303 F CB -0.233 38.761 39.000 -0.010 0.000 0.968 303 F HN 0.189 nan 8.300 nan 0.000 0.478 304 I N 0.099 120.913 120.570 0.407 0.000 2.614 304 I HA -0.266 3.575 4.170 -0.549 0.000 0.258 304 I C 2.170 178.504 176.117 0.362 0.000 1.189 304 I CA 0.959 62.561 61.300 0.503 0.000 1.462 304 I CB -0.613 37.688 38.000 0.502 0.000 1.092 304 I HN 0.394 nan 8.210 nan 0.000 0.442 305 Q N 0.771 120.650 119.800 0.132 0.000 2.033 305 Q HA -0.107 3.904 4.340 -0.549 0.000 0.196 305 Q C 2.427 178.436 176.000 0.015 0.000 0.970 305 Q CA 1.347 57.187 55.803 0.062 0.000 0.828 305 Q CB -0.066 28.452 28.738 -0.367 0.000 0.895 305 Q HN 0.510 nan 8.270 nan 0.000 0.440 306 I N 0.903 121.252 120.570 -0.369 0.000 2.226 306 I HA -0.260 3.581 4.170 -0.549 0.000 0.245 306 I C 2.176 178.231 176.117 -0.103 0.000 1.100 306 I CA 0.808 61.901 61.300 -0.345 0.000 1.374 306 I CB -0.328 37.256 38.000 -0.693 0.000 1.057 306 I HN 0.176 nan 8.210 nan 0.000 0.413 307 I N 0.682 121.143 120.570 -0.182 0.000 2.202 307 I HA -0.222 3.619 4.170 -0.549 0.000 0.242 307 I C 2.631 178.772 176.117 0.040 0.000 1.091 307 I CA 1.777 62.967 61.300 -0.183 0.000 1.368 307 I CB -1.725 35.983 38.000 -0.486 0.000 1.058 307 I HN 0.252 nan 8.210 nan 0.000 0.410 308 T N 1.120 115.900 114.554 0.377 0.000 2.684 308 T HA -0.174 3.847 4.350 -0.549 0.000 0.267 308 T C 1.762 176.667 174.700 0.341 0.000 1.036 308 T CA 1.688 64.114 62.100 0.544 0.000 1.148 308 T CB -0.335 68.960 68.868 0.713 0.000 0.863 308 T HN 0.103 nan 8.240 nan 0.000 0.436 309 F N 0.288 120.404 119.950 0.276 0.000 2.446 309 F HA 0.323 4.522 4.527 -0.547 0.000 0.292 309 F C 2.506 178.412 175.800 0.176 0.000 1.096 309 F CA 0.148 58.307 58.000 0.265 0.000 1.438 309 F CB -0.096 39.202 39.000 0.497 0.000 1.107 309 F HN -0.085 nan 8.300 nan 0.000 0.546 310 R N 0.033 120.718 120.500 0.308 0.000 2.090 310 R HA -0.053 3.958 4.340 -0.549 0.000 0.219 310 R C 1.094 177.442 176.300 0.081 0.000 1.100 310 R CA 1.569 57.780 56.100 0.186 0.000 0.991 310 R CB -0.014 30.375 30.300 0.149 0.000 0.893 310 R HN 0.115 nan 8.270 nan 0.000 0.443 311 D N -1.167 119.248 120.400 0.025 0.000 2.615 311 D HA -0.059 4.251 4.640 -0.549 0.000 0.259 311 D C 1.344 177.501 176.300 -0.239 0.000 0.999 311 D CA 0.626 54.594 54.000 -0.052 0.000 0.938 311 D CB -0.280 40.533 40.800 0.021 0.000 1.121 311 D HN 0.131 nan 8.370 nan 0.000 0.487 312 Y N 1.808 121.845 120.300 -0.438 0.000 2.177 312 Y HA 0.054 4.292 4.550 -0.520 0.000 0.291 312 Y C 2.182 177.967 175.900 -0.190 0.000 1.117 312 Y CA 1.152 58.983 58.100 -0.449 0.000 1.114 312 Y CB -0.509 37.781 38.460 -0.283 0.000 1.017 312 Y HN -0.202 nan 8.280 nan 0.000 0.505 313 L N 0.402 121.453 121.223 -0.287 0.000 2.012 313 L HA -0.183 3.828 4.340 -0.549 0.000 0.210 313 L C -0.504 176.183 176.870 -0.305 0.000 1.073 313 L CA 1.590 56.165 54.840 -0.441 0.000 0.748 313 L CB -1.814 39.927 42.059 -0.529 0.000 0.891 313 L HN 0.224 nan 8.230 nan 0.000 0.431 314 P HA -0.183 nan 4.420 nan 0.000 0.218 314 P C 1.475 178.693 177.300 -0.136 0.000 1.146 314 P CA 1.472 64.504 63.100 -0.113 0.000 0.813 314 P CB -0.119 31.548 31.700 -0.056 0.000 0.778 315 I N -6.275 114.188 120.570 -0.179 0.000 3.883 315 I HA 0.069 3.910 4.170 -0.549 0.000 0.326 315 I C 1.364 177.380 176.117 -0.168 0.000 1.283 315 I CA 0.190 61.381 61.300 -0.181 0.000 1.161 315 I CB -0.201 37.676 38.000 -0.205 0.000 1.012 315 I HN -0.253 nan 8.210 nan 0.000 0.421 316 V N 1.379 121.168 119.914 -0.209 0.000 2.391 316 V HA -0.012 3.779 4.120 -0.549 0.000 0.237 316 V C 2.306 178.275 176.094 -0.209 0.000 1.046 316 V CA 1.286 63.467 62.300 -0.198 0.000 1.053 316 V CB -0.266 31.290 31.823 -0.445 0.000 0.704 316 V HN 0.358 nan 8.190 nan 0.000 0.475 317 L N -0.001 121.093 121.223 -0.214 0.000 2.217 317 L HA 0.254 4.264 4.340 -0.549 0.000 0.211 317 L C 1.710 178.537 176.870 -0.071 0.000 1.107 317 L CA 0.971 55.730 54.840 -0.135 0.000 0.783 317 L CB -1.129 40.876 42.059 -0.090 0.000 0.919 317 L HN 0.593 nan 8.230 nan 0.000 0.442 318 G N 0.865 109.616 108.800 -0.082 0.000 2.574 318 G HA2 -0.437 3.194 3.960 -0.549 0.000 0.286 318 G HA3 -0.437 3.194 3.960 -0.549 0.000 0.286 318 G C 0.973 175.861 174.900 -0.021 0.000 1.212 318 G CA 0.831 45.897 45.100 -0.057 0.000 0.979 318 G HN 0.408 nan 8.290 nan 0.000 0.557 319 S N -0.085 115.606 115.700 -0.014 0.000 2.441 319 S HA -0.125 4.016 4.470 -0.549 0.000 0.242 319 S C 1.645 176.258 174.600 0.021 0.000 1.018 319 S CA 2.262 60.461 58.200 -0.002 0.000 0.988 319 S CB -0.186 63.011 63.200 -0.006 0.000 0.778 319 S HN 0.645 nan 8.310 nan 0.000 0.498 320 E N 0.514 120.747 120.200 0.054 0.000 2.427 320 E HA 0.100 4.120 4.350 -0.549 0.000 0.196 320 E C 1.632 178.352 176.600 0.198 0.000 1.028 320 E CA 0.298 56.784 56.400 0.143 0.000 0.864 320 E CB -0.275 29.557 29.700 0.220 0.000 0.813 320 E HN 0.710 nan 8.360 nan 0.000 0.514 321 M N 1.197 120.863 119.600 0.110 0.000 2.059 321 M HA -0.252 3.898 4.480 -0.549 0.000 0.259 321 M C 2.412 178.779 176.300 0.111 0.000 1.072 321 M CA 1.840 57.210 55.300 0.117 0.000 1.117 321 M CB -0.089 32.537 32.600 0.044 0.000 1.320 321 M HN -0.016 nan 8.290 nan 0.000 0.408 322 Q N -0.112 119.718 119.800 0.050 0.000 2.234 322 Q HA -0.260 3.751 4.340 -0.549 0.000 0.206 322 Q C 1.831 177.805 176.000 -0.042 0.000 0.980 322 Q CA 1.831 57.646 55.803 0.020 0.000 0.869 322 Q CB -0.697 28.043 28.738 0.004 0.000 0.912 322 Q HN 0.577 nan 8.270 nan 0.000 0.436 323 K N -0.161 120.171 120.400 -0.113 0.000 2.148 323 K HA -0.136 3.854 4.320 -0.549 0.000 0.204 323 K C 0.805 177.100 176.600 -0.508 0.000 1.050 323 K CA 1.506 57.577 56.287 -0.361 0.000 0.942 323 K CB 0.009 32.220 32.500 -0.482 0.000 0.724 323 K HN 0.417 nan 8.250 nan 0.000 0.446 324 W N -0.091 121.219 121.300 0.016 0.000 3.178 324 W HA 0.320 4.656 4.660 -0.541 0.000 0.241 324 W C 0.228 176.779 176.519 0.053 0.000 1.122 324 W CA -0.530 56.832 57.345 0.029 0.000 1.595 324 W CB 0.728 30.211 29.460 0.038 0.000 0.918 324 W HN -0.230 nan 8.180 nan 0.000 0.700 325 I N 3.289 124.026 120.570 0.278 0.000 2.479 325 I HA 0.210 4.051 4.170 -0.549 0.000 0.279 325 I C -2.015 174.197 176.117 0.159 0.000 1.102 325 I CA -1.882 59.553 61.300 0.224 0.000 1.196 325 I CB 0.091 38.234 38.000 0.239 0.000 1.427 325 I HN -0.430 nan 8.210 nan 0.000 0.503 326 P HA 0.278 nan 4.420 nan 0.000 0.275 326 P C -2.492 174.878 177.300 0.117 0.000 1.270 326 P CA -1.161 61.989 63.100 0.083 0.000 0.791 326 P CB -0.531 31.196 31.700 0.044 0.000 1.089 327 P HA 0.035 nan 4.420 nan 0.000 0.269 327 P C -0.416 176.980 177.300 0.160 0.000 1.217 327 P CA 0.179 63.361 63.100 0.135 0.000 0.783 327 P CB -0.076 31.682 31.700 0.097 0.000 0.898 328 Y N 1.681 121.999 120.300 0.030 0.000 2.511 328 Y HA 0.043 4.265 4.550 -0.545 0.000 0.332 328 Y C 1.152 177.046 175.900 -0.009 0.000 1.177 328 Y CA 0.686 58.778 58.100 -0.012 0.000 1.422 328 Y CB 0.494 38.951 38.460 -0.005 0.000 1.271 328 Y HN 0.401 nan 8.280 nan 0.000 0.550 329 Q N 3.505 123.012 119.800 -0.488 0.000 2.064 329 Q HA 0.338 4.349 4.340 -0.549 0.000 0.213 329 Q C -0.131 175.523 176.000 -0.576 0.000 0.779 329 Q CA 0.240 55.787 55.803 -0.427 0.000 1.032 329 Q CB 0.836 29.459 28.738 -0.191 0.000 1.203 329 Q HN 1.048 nan 8.270 nan 0.000 0.457 330 G N 0.891 108.995 108.800 -1.160 0.000 2.497 330 G HA2 -0.240 3.390 3.960 -0.549 0.000 0.686 330 G HA3 -0.240 3.390 3.960 -0.549 0.000 0.686 330 G C -1.604 173.177 174.900 -0.198 0.000 1.288 330 G CA -1.019 43.692 45.100 -0.648 0.000 0.899 330 G HN 0.142 nan 8.290 nan 0.000 0.608 331 Y N 2.167 122.433 120.300 -0.057 0.000 2.587 331 Y HA 0.481 4.701 4.550 -0.550 0.000 0.344 331 Y C 0.546 176.455 175.900 0.015 0.000 1.061 331 Y CA -0.956 57.180 58.100 0.060 0.000 1.370 331 Y CB 0.489 38.998 38.460 0.082 0.000 1.163 331 Y HN 0.522 nan 8.280 nan 0.000 0.527 332 N N 6.346 124.904 118.700 -0.236 0.000 2.420 332 N HA -0.031 4.380 4.740 -0.549 0.000 0.249 332 N C 0.623 175.805 175.510 -0.547 0.000 1.033 332 N CA -0.067 52.791 53.050 -0.320 0.000 0.944 332 N CB 0.358 38.773 38.487 -0.120 0.000 1.113 332 N HN 0.903 nan 8.380 nan 0.000 0.502 333 N N 1.737 120.049 118.700 -0.646 0.000 2.571 333 N HA -0.051 4.360 4.740 -0.549 0.000 0.189 333 N C 0.023 175.439 175.510 -0.157 0.000 1.154 333 N CA 0.196 52.950 53.050 -0.492 0.000 0.907 333 N CB 0.266 38.542 38.487 -0.351 0.000 0.977 333 N HN 0.163 nan 8.380 nan 0.000 0.449 334 S N -0.047 115.581 115.700 -0.121 0.000 2.524 334 S HA 0.172 4.313 4.470 -0.549 0.000 0.215 334 S C 0.501 175.103 174.600 0.004 0.000 0.986 334 S CA -0.468 57.709 58.200 -0.037 0.000 0.911 334 S CB 0.645 63.822 63.200 -0.038 0.000 0.805 334 S HN 0.096 nan 8.310 nan 0.000 0.501 335 V N 3.393 123.313 119.914 0.010 0.000 2.461 335 V HA 0.180 3.971 4.120 -0.549 0.000 0.275 335 V C 0.124 176.282 176.094 0.107 0.000 1.047 335 V CA -0.810 61.525 62.300 0.059 0.000 0.955 335 V CB 1.156 33.018 31.823 0.066 0.000 0.988 335 V HN 0.225 nan 8.190 nan 0.000 0.471 336 D N 8.230 128.696 120.400 0.111 0.000 2.346 336 D HA 0.111 4.421 4.640 -0.549 0.000 0.260 336 D C -1.321 175.054 176.300 0.126 0.000 1.252 336 D CA -1.517 52.561 54.000 0.129 0.000 0.895 336 D CB 1.793 42.681 40.800 0.146 0.000 1.097 336 D HN 0.304 nan 8.370 nan 0.000 0.489 337 P HA -0.005 nan 4.420 nan 0.000 0.235 337 P C 0.339 177.574 177.300 -0.107 0.000 1.177 337 P CA 0.053 63.174 63.100 0.035 0.000 0.785 337 P CB 0.473 32.221 31.700 0.081 0.000 0.885 338 R N 0.531 120.993 120.500 -0.063 0.000 2.697 338 R HA 0.144 4.155 4.340 -0.549 0.000 0.265 338 R C 0.667 176.909 176.300 -0.097 0.000 1.009 338 R CA -0.008 56.039 56.100 -0.089 0.000 1.099 338 R CB 0.226 30.522 30.300 -0.008 0.000 0.965 338 R HN 0.138 nan 8.270 nan 0.000 0.428 339 I N 2.869 123.353 120.570 -0.143 0.000 2.396 339 I HA -0.004 3.837 4.170 -0.549 0.000 0.289 339 I C 0.936 176.936 176.117 -0.196 0.000 1.056 339 I CA -0.038 61.142 61.300 -0.200 0.000 1.365 339 I CB 1.090 39.014 38.000 -0.127 0.000 1.407 339 I HN 0.711 nan 8.210 nan 0.000 0.509 340 S N 4.934 120.393 115.700 -0.401 0.000 2.593 340 S HA 0.071 4.212 4.470 -0.549 0.000 0.269 340 S C 1.015 175.427 174.600 -0.314 0.000 1.334 340 S CA -0.608 57.253 58.200 -0.564 0.000 1.015 340 S CB 1.375 63.600 63.200 -1.625 0.000 0.912 340 S HN 0.643 nan 8.310 nan 0.000 0.541 341 N N 0.756 119.352 118.700 -0.173 0.000 2.043 341 N HA -0.141 4.270 4.740 -0.549 0.000 0.193 341 N C 1.760 177.289 175.510 0.032 0.000 1.037 341 N CA 1.613 54.687 53.050 0.040 0.000 0.851 341 N CB -0.940 37.665 38.487 0.196 0.000 1.027 341 N HN 0.553 nan 8.380 nan 0.000 0.422 342 V N 0.738 120.572 119.914 -0.135 0.000 2.469 342 V HA -0.216 3.575 4.120 -0.549 0.000 0.251 342 V C 2.095 178.073 176.094 -0.193 0.000 1.064 342 V CA 1.629 63.777 62.300 -0.253 0.000 1.066 342 V CB -0.767 30.458 31.823 -0.998 0.000 0.667 342 V HN 0.306 nan 8.190 nan 0.000 0.461 343 F N 1.952 121.642 119.950 -0.434 0.000 2.161 343 F HA -0.175 4.033 4.527 -0.531 0.000 0.300 343 F C 2.595 178.295 175.800 -0.166 0.000 1.089 343 F CA 2.178 59.989 58.000 -0.314 0.000 1.282 343 F CB -0.752 38.017 39.000 -0.385 0.000 1.010 343 F HN 0.390 nan 8.300 nan 0.000 0.485 344 T N -2.645 111.758 114.554 -0.251 0.000 3.155 344 T HA -0.138 3.883 4.350 -0.549 0.000 0.264 344 T C 1.371 175.631 174.700 -0.734 0.000 1.160 344 T CA 1.193 63.000 62.100 -0.489 0.000 1.075 344 T CB -0.981 67.567 68.868 -0.532 0.000 0.921 344 T HN 0.312 nan 8.240 nan 0.000 0.533 345 F N 0.003 119.853 119.950 -0.166 0.000 2.740 345 F HA 0.608 4.820 4.527 -0.524 0.000 0.304 345 F C 2.542 178.362 175.800 0.034 0.000 1.098 345 F CA -0.214 57.759 58.000 -0.045 0.000 1.258 345 F CB -0.213 38.761 39.000 -0.042 0.000 1.061 345 F HN 0.189 nan 8.300 nan 0.000 0.598 346 A N 0.131 122.968 122.820 0.028 0.000 1.873 346 A HA -0.154 3.837 4.320 -0.549 0.000 0.215 346 A C 1.993 179.662 177.584 0.141 0.000 1.186 346 A CA 1.150 53.195 52.037 0.013 0.000 0.616 346 A CB -1.240 17.701 19.000 -0.099 0.000 0.823 346 A HN 0.446 nan 8.150 nan 0.000 0.442 347 F N 0.058 119.851 119.950 -0.263 0.000 2.604 347 F HA -0.065 4.374 4.527 -0.146 0.000 0.298 347 F C 2.238 177.862 175.800 -0.294 0.000 1.131 347 F CA 0.181 58.071 58.000 -0.184 0.000 1.457 347 F CB 0.092 38.743 39.000 -0.581 0.000 1.095 347 F HN 0.171 nan 8.300 nan 0.000 0.574 348 R N 0.171 120.676 120.500 0.010 0.000 2.328 348 R HA -0.154 3.857 4.340 -0.549 0.000 0.207 348 R C 1.925 178.199 176.300 -0.043 0.000 1.056 348 R CA 0.923 56.921 56.100 -0.171 0.000 1.016 348 R CB -0.643 29.724 30.300 0.111 0.000 0.872 348 R HN 0.477 nan 8.270 nan 0.000 0.471 349 F N -0.581 119.423 119.950 0.089 0.000 2.214 349 F HA -0.135 4.102 4.527 -0.483 0.000 0.302 349 F C 1.876 177.714 175.800 0.064 0.000 1.063 349 F CA 1.257 59.280 58.000 0.037 0.000 1.319 349 F CB -1.022 37.994 39.000 0.026 0.000 1.046 349 F HN -0.121 nan 8.300 nan 0.000 0.505 350 G N -0.737 107.555 108.800 -0.846 0.000 2.509 350 G HA2 -0.199 3.432 3.960 -0.549 0.000 0.218 350 G HA3 -0.199 3.432 3.960 -0.549 0.000 0.218 350 G C 1.151 175.989 174.900 -0.103 0.000 1.124 350 G CA 0.771 45.520 45.100 -0.585 0.000 0.776 350 G HN 0.636 nan 8.290 nan 0.000 0.547 351 H N -0.218 118.872 119.070 0.034 0.000 2.489 351 H HA 0.062 4.296 4.556 -0.537 0.000 0.295 351 H C 1.961 177.406 175.328 0.195 0.000 1.082 351 H CA 0.671 56.812 56.048 0.154 0.000 1.295 351 H CB 0.022 29.964 29.762 0.299 0.000 1.380 351 H HN 0.356 nan 8.280 nan 0.000 0.548 352 M N 0.193 119.966 119.600 0.287 0.000 2.551 352 M HA 0.065 4.216 4.480 -0.549 0.000 0.252 352 M C 0.251 176.672 176.300 0.202 0.000 1.219 352 M CA 0.611 56.050 55.300 0.231 0.000 0.978 352 M CB 0.598 33.292 32.600 0.157 0.000 1.533 352 M HN 0.252 nan 8.290 nan 0.000 0.474 353 E N 0.063 120.380 120.200 0.195 0.000 2.601 353 E HA 0.151 4.172 4.350 -0.549 0.000 0.219 353 E C -0.299 176.410 176.600 0.182 0.000 0.964 353 E CA -0.088 56.431 56.400 0.198 0.000 1.050 353 E CB 1.286 31.106 29.700 0.201 0.000 1.068 353 E HN 0.169 nan 8.360 nan 0.000 0.496 354 V N 4.221 124.245 119.914 0.184 0.000 2.408 354 V HA 0.198 3.989 4.120 -0.549 0.000 0.267 354 V C -2.144 174.063 176.094 0.189 0.000 1.047 354 V CA -1.639 60.766 62.300 0.175 0.000 0.937 354 V CB 0.420 32.353 31.823 0.183 0.000 0.999 354 V HN 0.007 nan 8.190 nan 0.000 0.472 355 P HA 0.242 nan 4.420 nan 0.000 0.279 355 P C 0.873 178.264 177.300 0.151 0.000 1.276 355 P CA -0.514 62.687 63.100 0.168 0.000 0.801 355 P CB 0.740 32.525 31.700 0.143 0.000 1.127 356 S N -1.653 114.135 115.700 0.146 0.000 2.406 356 S HA -0.006 4.135 4.470 -0.549 0.000 0.228 356 S C 0.764 175.411 174.600 0.078 0.000 1.020 356 S CA 1.077 59.348 58.200 0.119 0.000 0.965 356 S CB -1.232 62.038 63.200 0.116 0.000 0.798 356 S HN 0.705 nan 8.310 nan 0.000 0.488 357 T N -0.517 114.078 114.554 0.069 0.000 2.876 357 T HA 0.708 4.729 4.350 -0.549 0.000 0.289 357 T C -0.890 173.829 174.700 0.031 0.000 1.014 357 T CA -0.833 61.288 62.100 0.035 0.000 0.986 357 T CB 1.852 70.743 68.868 0.039 0.000 1.021 357 T HN 0.012 nan 8.240 nan 0.000 0.458 358 V N 3.017 122.931 119.914 -0.001 0.000 2.394 358 V HA 0.571 4.362 4.120 -0.549 0.000 0.282 358 V C 0.282 176.378 176.094 0.004 0.000 1.031 358 V CA -0.588 61.712 62.300 0.001 0.000 0.881 358 V CB 1.457 33.262 31.823 -0.030 0.000 0.982 358 V HN 1.106 nan 8.190 nan 0.000 0.451 359 S N 4.846 120.561 115.700 0.025 0.000 2.593 359 S HA 0.664 4.805 4.470 -0.549 0.000 0.297 359 S C -0.319 174.296 174.600 0.024 0.000 1.112 359 S CA -0.883 57.337 58.200 0.034 0.000 1.043 359 S CB 1.329 64.560 63.200 0.052 0.000 1.054 359 S HN 0.661 nan 8.310 nan 0.000 0.516 360 R N 1.608 122.135 120.500 0.046 0.000 2.439 360 R HA 0.542 4.553 4.340 -0.549 0.000 0.310 360 R C -1.297 175.040 176.300 0.062 0.000 0.955 360 R CA -0.463 55.648 56.100 0.019 0.000 0.853 360 R CB 1.045 31.375 30.300 0.050 0.000 1.171 360 R HN 0.453 nan 8.270 nan 0.000 0.449 361 L N 2.163 123.347 121.223 -0.064 0.000 2.330 361 L HA 0.402 4.412 4.340 -0.549 0.000 0.271 361 L C 0.244 177.000 176.870 -0.191 0.000 1.013 361 L CA -0.975 53.813 54.840 -0.086 0.000 0.816 361 L CB 1.556 43.511 42.059 -0.173 0.000 1.287 361 L HN 0.632 nan 8.230 nan 0.000 0.435 362 D N -0.167 120.181 120.400 -0.086 0.000 2.511 362 D HA 0.090 4.401 4.640 -0.549 0.000 0.276 362 D C 0.665 176.804 176.300 -0.269 0.000 1.220 362 D CA -0.428 53.529 54.000 -0.073 0.000 1.077 362 D CB 0.571 41.477 40.800 0.176 0.000 1.126 362 D HN 0.451 nan 8.370 nan 0.000 0.583 363 E N -0.690 119.409 120.200 -0.168 0.000 2.097 363 E HA -0.180 3.841 4.350 -0.549 0.000 0.196 363 E C 1.214 177.712 176.600 -0.170 0.000 1.000 363 E CA 1.492 57.788 56.400 -0.172 0.000 0.804 363 E CB -0.440 29.221 29.700 -0.064 0.000 0.740 363 E HN 0.495 nan 8.360 nan 0.000 0.454 364 N N -0.713 117.918 118.700 -0.116 0.000 2.515 364 N HA -0.009 4.402 4.740 -0.549 0.000 0.191 364 N C -0.718 174.629 175.510 -0.271 0.000 1.182 364 N CA -0.074 52.927 53.050 -0.081 0.000 0.879 364 N CB 0.034 38.535 38.487 0.024 0.000 0.984 364 N HN 0.158 nan 8.380 nan 0.000 0.453 365 Y N -0.362 119.629 120.300 -0.515 0.000 3.589 365 Y HA -0.275 3.945 4.550 -0.551 0.000 0.218 365 Y C -0.068 175.675 175.900 -0.261 0.000 1.234 365 Y CA 0.335 58.113 58.100 -0.537 0.000 1.576 365 Y CB -1.567 36.247 38.460 -1.077 0.000 1.487 365 Y HN 0.249 nan 8.280 nan 0.000 0.616 366 Q N 0.086 119.845 119.800 -0.069 0.000 2.266 366 Q HA 0.421 4.432 4.340 -0.549 0.000 0.261 366 Q C -2.221 173.799 176.000 0.034 0.000 0.985 366 Q CA -2.310 53.497 55.803 0.006 0.000 0.873 366 Q CB 1.171 29.921 28.738 0.021 0.000 1.306 366 Q HN -0.073 nan 8.270 nan 0.000 0.447 367 P HA -0.126 nan 4.420 nan 0.000 0.260 367 P C -0.780 176.589 177.300 0.115 0.000 1.172 367 P CA 0.397 63.543 63.100 0.076 0.000 0.760 367 P CB 0.185 31.913 31.700 0.048 0.000 0.773 368 W N 6.061 127.333 121.300 -0.047 0.000 2.360 368 W HA 0.467 4.799 4.660 -0.547 0.000 0.344 368 W C 0.672 177.173 176.519 -0.029 0.000 1.025 368 W CA 1.219 58.536 57.345 -0.046 0.000 1.480 368 W CB -0.254 29.172 29.460 -0.057 0.000 1.350 368 W HN 0.826 nan 8.180 nan 0.000 0.382 369 G N 5.947 114.531 108.800 -0.360 0.000 2.693 369 G HA2 -0.286 3.345 3.960 -0.549 0.000 0.226 369 G HA3 -0.286 3.345 3.960 -0.549 0.000 0.226 369 G C -1.244 173.534 174.900 -0.203 0.000 1.354 369 G CA -0.348 44.492 45.100 -0.433 0.000 0.873 369 G HN 0.371 nan 8.290 nan 0.000 0.562 370 P HA 0.057 nan 4.420 nan 0.000 0.216 370 P C 0.659 177.926 177.300 -0.055 0.000 1.153 370 P CA 1.554 64.596 63.100 -0.097 0.000 0.844 370 P CB 0.084 31.729 31.700 -0.092 0.000 0.787 371 E N -0.495 119.675 120.200 -0.051 0.000 2.989 371 E HA 0.415 4.436 4.350 -0.549 0.000 0.224 371 E C 0.916 177.535 176.600 0.032 0.000 1.175 371 E CA -0.390 56.006 56.400 -0.006 0.000 1.300 371 E CB 0.486 30.189 29.700 0.004 0.000 1.422 371 E HN 0.101 nan 8.360 nan 0.000 0.439 372 A N 1.628 124.473 122.820 0.041 0.000 1.874 372 A HA -0.085 3.905 4.320 -0.549 0.000 0.214 372 A C 1.180 178.804 177.584 0.068 0.000 1.189 372 A CA 0.702 52.798 52.037 0.099 0.000 0.615 372 A CB 0.151 19.208 19.000 0.095 0.000 0.830 372 A HN 0.352 nan 8.150 nan 0.000 0.443 373 E N 0.712 120.936 120.200 0.039 0.000 2.035 373 E HA 0.475 4.496 4.350 -0.549 0.000 0.271 373 E C -1.332 175.270 176.600 0.004 0.000 0.953 373 E CA -0.334 56.081 56.400 0.026 0.000 0.777 373 E CB 0.245 29.964 29.700 0.032 0.000 1.104 373 E HN 0.437 nan 8.360 nan 0.000 0.408 374 L N 5.424 126.635 121.223 -0.019 0.000 2.343 374 L HA 0.468 4.479 4.340 -0.549 0.000 0.275 374 L C -2.131 174.693 176.870 -0.076 0.000 1.056 374 L CA -2.406 52.398 54.840 -0.059 0.000 0.804 374 L CB 0.931 42.931 42.059 -0.098 0.000 1.203 374 L HN 0.407 nan 8.230 nan 0.000 0.440 375 P HA 0.006 nan 4.420 nan 0.000 0.271 375 P C 0.383 177.541 177.300 -0.237 0.000 1.216 375 P CA -0.336 62.690 63.100 -0.123 0.000 0.771 375 P CB 0.789 32.405 31.700 -0.140 0.000 0.864 376 L N 4.262 125.391 121.223 -0.157 0.000 2.131 376 L HA -0.195 3.816 4.340 -0.549 0.000 0.210 376 L C 2.304 178.806 176.870 -0.613 0.000 1.092 376 L CA 1.737 56.417 54.840 -0.267 0.000 0.759 376 L CB -1.181 40.819 42.059 -0.100 0.000 0.903 376 L HN 0.525 nan 8.230 nan 0.000 0.435 377 H N -1.878 116.953 119.070 -0.399 0.000 2.456 377 H HA -0.100 4.125 4.556 -0.551 0.000 0.296 377 H C 1.677 176.858 175.328 -0.245 0.000 1.079 377 H CA 1.497 57.288 56.048 -0.427 0.000 1.322 377 H CB -0.971 28.868 29.762 0.128 0.000 1.388 377 H HN 0.521 nan 8.280 nan 0.000 0.538 378 T N -0.892 113.265 114.554 -0.662 0.000 3.160 378 T HA 0.100 4.120 4.350 -0.549 0.000 0.257 378 T C 1.727 176.292 174.700 -0.224 0.000 1.147 378 T CA 0.233 62.126 62.100 -0.345 0.000 1.064 378 T CB -0.353 68.293 68.868 -0.369 0.000 0.949 378 T HN 0.344 nan 8.240 nan 0.000 0.526 379 L N -0.432 120.558 121.223 -0.390 0.000 2.693 379 L HA 0.448 4.459 4.340 -0.549 0.000 0.235 379 L C -0.358 176.388 176.870 -0.207 0.000 1.127 379 L CA -0.628 54.029 54.840 -0.304 0.000 0.914 379 L CB 0.092 41.970 42.059 -0.302 0.000 1.193 379 L HN 0.140 nan 8.230 nan 0.000 0.502 380 F N 0.589 120.551 119.950 0.020 0.000 2.502 380 F HA 0.191 4.387 4.527 -0.552 0.000 0.371 380 F C 0.623 176.466 175.800 0.072 0.000 1.083 380 F CA -0.849 57.139 58.000 -0.020 0.000 1.174 380 F CB -0.709 38.381 39.000 0.150 0.000 1.096 380 F HN -0.029 nan 8.300 nan 0.000 0.545 381 F N 0.475 120.527 119.950 0.170 0.000 3.074 381 F HA -0.307 3.897 4.527 -0.538 0.000 0.289 381 F C 0.495 176.292 175.800 -0.005 0.000 0.863 381 F CA 0.066 58.104 58.000 0.063 0.000 1.121 381 F CB -1.446 37.609 39.000 0.092 0.000 1.169 381 F HN 0.497 nan 8.300 nan 0.000 0.570 382 N N 0.985 119.705 118.700 0.033 0.000 2.500 382 N HA 0.287 4.698 4.740 -0.549 0.000 0.236 382 N C 0.856 176.264 175.510 -0.170 0.000 1.022 382 N CA 0.640 53.654 53.050 -0.060 0.000 0.935 382 N CB 1.022 39.405 38.487 -0.173 0.000 1.147 382 N HN 0.280 nan 8.380 nan 0.000 0.512 383 T N -0.329 114.134 114.554 -0.153 0.000 2.990 383 T HA 0.020 4.041 4.350 -0.549 0.000 0.249 383 T C 1.757 176.337 174.700 -0.199 0.000 1.039 383 T CA -0.401 61.526 62.100 -0.290 0.000 1.036 383 T CB -0.290 68.283 68.868 -0.492 0.000 0.994 383 T HN 0.641 nan 8.240 nan 0.000 0.489 384 W N 2.440 123.652 121.300 -0.147 0.000 2.465 384 W HA 0.078 4.411 4.660 -0.546 0.000 0.268 384 W C 1.363 177.853 176.519 -0.048 0.000 1.242 384 W CA -0.033 57.257 57.345 -0.091 0.000 1.248 384 W CB -0.656 28.760 29.460 -0.074 0.000 1.118 384 W HN 0.059 nan 8.180 nan 0.000 0.587 385 R N 1.064 121.033 120.500 -0.885 0.000 2.115 385 R HA -0.013 3.998 4.340 -0.549 0.000 0.226 385 R C 2.122 178.235 176.300 -0.312 0.000 1.100 385 R CA 1.167 56.792 56.100 -0.791 0.000 0.980 385 R CB -0.709 29.076 30.300 -0.859 0.000 0.875 385 R HN 0.390 nan 8.270 nan 0.000 0.445 386 I N 0.161 120.593 120.570 -0.229 0.000 2.141 386 I HA -0.234 3.607 4.170 -0.549 0.000 0.236 386 I C 2.281 178.380 176.117 -0.029 0.000 1.071 386 I CA 1.254 62.495 61.300 -0.099 0.000 1.345 386 I CB -0.359 37.603 38.000 -0.062 0.000 1.066 386 I HN -0.025 nan 8.210 nan 0.000 0.406 387 I N 0.401 120.922 120.570 -0.081 0.000 2.361 387 I HA -0.245 3.596 4.170 -0.549 0.000 0.251 387 I C 1.605 177.805 176.117 0.139 0.000 1.133 387 I CA 1.627 62.932 61.300 0.007 0.000 1.413 387 I CB -0.068 37.923 38.000 -0.015 0.000 1.073 387 I HN 0.163 nan 8.210 nan 0.000 0.424 388 K N -0.516 119.973 120.400 0.148 0.000 2.564 388 K HA 0.133 4.124 4.320 -0.549 0.000 0.205 388 K C -0.483 176.249 176.600 0.221 0.000 1.053 388 K CA 0.104 56.520 56.287 0.214 0.000 1.072 388 K CB 0.557 33.235 32.500 0.297 0.000 0.822 388 K HN -0.018 nan 8.250 nan 0.000 0.497 389 D N -0.498 119.996 120.400 0.157 0.000 3.404 389 D HA 0.167 4.478 4.640 -0.549 0.000 0.329 389 D C 0.431 176.834 176.300 0.172 0.000 1.421 389 D CA 0.501 54.639 54.000 0.229 0.000 0.742 389 D CB 0.423 41.293 40.800 0.116 0.000 1.290 389 D HN 0.220 nan 8.370 nan 0.000 0.600 390 G N -0.435 108.425 108.800 0.099 0.000 2.380 390 G HA2 0.247 3.878 3.960 -0.549 0.000 0.197 390 G HA3 0.247 3.878 3.960 -0.549 0.000 0.197 390 G C 1.035 175.850 174.900 -0.143 0.000 1.001 390 G CA 0.366 45.330 45.100 -0.226 0.000 0.668 390 G HN 1.323 nan 8.290 nan 0.000 0.483 391 G N -0.090 108.694 108.800 -0.026 0.000 2.632 391 G HA2 0.039 3.670 3.960 -0.549 0.000 0.224 391 G HA3 0.039 3.670 3.960 -0.549 0.000 0.224 391 G C 0.981 175.894 174.900 0.022 0.000 1.341 391 G CA 0.754 45.894 45.100 0.066 0.000 0.880 391 G HN 1.718 nan 8.290 nan 0.000 0.566 392 I N -2.689 117.919 120.570 0.063 0.000 3.226 392 I HA 0.252 4.093 4.170 -0.549 0.000 0.277 392 I C 1.701 177.791 176.117 -0.045 0.000 1.243 392 I CA 1.593 62.910 61.300 0.028 0.000 1.459 392 I CB -0.190 37.854 38.000 0.074 0.000 1.093 392 I HN 0.325 nan 8.210 nan 0.000 0.453 393 D N 3.152 123.517 120.400 -0.059 0.000 2.116 393 D HA -0.140 4.171 4.640 -0.549 0.000 0.193 393 D C -0.383 175.795 176.300 -0.202 0.000 0.998 393 D CA 2.075 56.016 54.000 -0.099 0.000 0.836 393 D CB -1.506 39.259 40.800 -0.059 0.000 0.951 393 D HN 0.382 nan 8.370 nan 0.000 0.449 394 P HA -0.083 nan 4.420 nan 0.000 0.218 394 P C 1.582 178.751 177.300 -0.218 0.000 1.149 394 P CA 0.946 63.810 63.100 -0.393 0.000 0.817 394 P CB 0.052 31.332 31.700 -0.699 0.000 0.785 395 L N -1.022 120.109 121.223 -0.154 0.000 2.179 395 L HA -0.064 3.947 4.340 -0.549 0.000 0.208 395 L C 2.659 179.523 176.870 -0.010 0.000 1.096 395 L CA 0.818 55.617 54.840 -0.067 0.000 0.779 395 L CB -0.787 41.243 42.059 -0.048 0.000 0.922 395 L HN -0.194 nan 8.230 nan 0.000 0.443 396 V N -0.389 119.519 119.914 -0.010 0.000 2.379 396 V HA -0.193 3.597 4.120 -0.549 0.000 0.245 396 V C 2.557 178.700 176.094 0.081 0.000 1.044 396 V CA 1.468 63.798 62.300 0.051 0.000 1.036 396 V CB -0.563 31.283 31.823 0.037 0.000 0.664 396 V HN 0.375 nan 8.190 nan 0.000 0.453 397 R N 0.365 120.864 120.500 -0.002 0.000 2.096 397 R HA -0.115 3.896 4.340 -0.549 0.000 0.235 397 R C 2.475 178.865 176.300 0.149 0.000 1.127 397 R CA 1.477 57.585 56.100 0.013 0.000 0.968 397 R CB -0.821 29.195 30.300 -0.473 0.000 0.861 397 R HN 0.595 nan 8.270 nan 0.000 0.440 398 G N 1.217 110.050 108.800 0.055 0.000 2.446 398 G HA2 -0.238 3.392 3.960 -0.549 0.000 0.217 398 G HA3 -0.238 3.392 3.960 -0.549 0.000 0.217 398 G C 1.444 176.425 174.900 0.135 0.000 1.168 398 G CA 0.449 45.602 45.100 0.088 0.000 0.771 398 G HN 0.134 nan 8.290 nan 0.000 0.551 399 L N -0.239 121.061 121.223 0.129 0.000 2.042 399 L HA -0.068 3.943 4.340 -0.549 0.000 0.210 399 L C 2.864 179.831 176.870 0.161 0.000 1.076 399 L CA 0.839 55.760 54.840 0.135 0.000 0.749 399 L CB -0.330 41.808 42.059 0.132 0.000 0.893 399 L HN 0.217 nan 8.230 nan 0.000 0.432 400 L N -1.199 120.160 121.223 0.226 0.000 2.240 400 L HA -0.041 3.969 4.340 -0.549 0.000 0.211 400 L C 2.502 179.580 176.870 0.346 0.000 1.106 400 L CA 0.795 55.791 54.840 0.259 0.000 0.793 400 L CB -0.438 41.831 42.059 0.349 0.000 0.927 400 L HN 0.177 nan 8.230 nan 0.000 0.446 401 A N -1.559 121.479 122.820 0.365 0.000 2.035 401 A HA 0.127 4.118 4.320 -0.549 0.000 0.208 401 A C 0.972 178.683 177.584 0.211 0.000 1.206 401 A CA 0.245 52.474 52.037 0.320 0.000 0.773 401 A CB 0.270 19.449 19.000 0.298 0.000 0.878 401 A HN -0.034 nan 8.150 nan 0.000 0.469 402 K N 1.809 122.316 120.400 0.179 0.000 2.143 402 K HA 0.315 4.306 4.320 -0.549 0.000 0.272 402 K C -0.993 175.691 176.600 0.140 0.000 1.001 402 K CA -0.620 55.752 56.287 0.141 0.000 0.915 402 K CB 0.719 33.292 32.500 0.121 0.000 1.047 402 K HN 0.205 nan 8.250 nan 0.000 0.458 403 N N 0.207 118.983 118.700 0.127 0.000 2.444 403 N HA 0.077 4.488 4.740 -0.549 0.000 0.255 403 N C -0.022 175.577 175.510 0.148 0.000 1.255 403 N CA 0.142 53.269 53.050 0.129 0.000 0.933 403 N CB 0.537 39.089 38.487 0.107 0.000 1.143 403 N HN 0.320 nan 8.380 nan 0.000 0.453 404 S N 0.049 115.855 115.700 0.177 0.000 2.645 404 S HA 0.145 4.286 4.470 -0.549 0.000 0.266 404 S C 0.322 175.030 174.600 0.178 0.000 1.258 404 S CA -0.582 57.745 58.200 0.211 0.000 0.990 404 S CB 0.724 64.121 63.200 0.328 0.000 0.967 404 S HN 0.354 nan 8.310 nan 0.000 0.556 405 K N 1.604 122.114 120.400 0.184 0.000 2.276 405 K HA 0.256 4.247 4.320 -0.549 0.000 0.283 405 K C -0.801 175.896 176.600 0.161 0.000 1.044 405 K CA -0.465 55.917 56.287 0.159 0.000 0.944 405 K CB 0.394 32.997 32.500 0.171 0.000 1.012 405 K HN 0.409 nan 8.250 nan 0.000 0.472 406 L N 5.319 126.609 121.223 0.111 0.000 2.326 406 L HA 0.235 4.246 4.340 -0.549 0.000 0.278 406 L C -0.047 176.865 176.870 0.069 0.000 1.092 406 L CA -0.322 54.575 54.840 0.096 0.000 0.810 406 L CB 0.903 42.993 42.059 0.052 0.000 1.153 406 L HN 0.759 nan 8.230 nan 0.000 0.439 407 M N 5.416 125.071 119.600 0.092 0.000 2.250 407 M HA 0.209 4.360 4.480 -0.549 0.000 0.337 407 M C -0.781 175.520 176.300 0.002 0.000 1.161 407 M CA 0.894 56.228 55.300 0.058 0.000 1.088 407 M CB -0.168 32.482 32.600 0.082 0.000 1.639 407 M HN 0.734 nan 8.290 nan 0.000 0.447 408 N N 2.812 121.493 118.700 -0.033 0.000 2.367 408 N HA 0.225 4.636 4.740 -0.549 0.000 0.278 408 N C -0.610 174.867 175.510 -0.056 0.000 1.117 408 N CA -0.327 52.687 53.050 -0.060 0.000 0.867 408 N CB 1.462 39.878 38.487 -0.117 0.000 1.649 408 N HN 0.881 nan 8.380 nan 0.000 0.479 409 Q N 1.081 120.855 119.800 -0.044 0.000 2.230 409 Q HA 0.034 4.045 4.340 -0.549 0.000 0.202 409 Q C 0.411 176.397 176.000 -0.023 0.000 0.963 409 Q CA 1.501 57.283 55.803 -0.034 0.000 0.866 409 Q CB 0.101 28.821 28.738 -0.029 0.000 0.931 409 Q HN 0.571 nan 8.270 nan 0.000 0.452 410 N N -0.209 118.471 118.700 -0.033 0.000 2.299 410 N HA 0.059 4.470 4.740 -0.549 0.000 0.187 410 N C -0.685 174.805 175.510 -0.033 0.000 1.099 410 N CA 0.289 53.330 53.050 -0.015 0.000 0.867 410 N CB 0.615 39.094 38.487 -0.013 0.000 0.974 410 N HN -0.098 nan 8.380 nan 0.000 0.477 411 K N 0.360 120.677 120.400 -0.138 0.000 2.723 411 K HA 0.314 4.305 4.320 -0.549 0.000 0.229 411 K C -0.300 176.131 176.600 -0.281 0.000 1.022 411 K CA -0.033 55.998 56.287 -0.426 0.000 1.045 411 K CB 1.234 33.194 32.500 -0.900 0.000 1.227 411 K HN -0.025 nan 8.250 nan 0.000 0.516 412 M N 0.248 119.890 119.600 0.071 0.000 2.299 412 M HA 0.144 4.295 4.480 -0.549 0.000 0.238 412 M C 0.537 176.999 176.300 0.269 0.000 1.174 412 M CA 0.698 56.074 55.300 0.127 0.000 1.191 412 M CB 0.369 33.037 32.600 0.112 0.000 1.207 412 M HN 0.085 nan 8.290 nan 0.000 0.462 413 V N 1.419 121.560 119.914 0.378 0.000 2.483 413 V HA 0.201 3.992 4.120 -0.549 0.000 0.295 413 V C -0.121 176.205 176.094 0.386 0.000 1.035 413 V CA -0.762 61.765 62.300 0.378 0.000 0.896 413 V CB 1.419 33.453 31.823 0.353 0.000 0.986 413 V HN 0.425 nan 8.190 nan 0.000 0.447 414 T N 3.229 117.983 114.554 0.333 0.000 2.946 414 T HA -0.010 4.010 4.350 -0.549 0.000 0.311 414 T C 1.378 176.091 174.700 0.023 0.000 1.063 414 T CA 0.051 62.231 62.100 0.133 0.000 1.139 414 T CB 0.664 69.647 68.868 0.191 0.000 0.994 414 T HN 0.803 nan 8.240 nan 0.000 0.547 415 S N 1.711 117.333 115.700 -0.130 0.000 2.474 415 S HA -0.081 4.060 4.470 -0.549 0.000 0.235 415 S C 1.903 176.533 174.600 0.050 0.000 0.997 415 S CA 0.526 58.691 58.200 -0.059 0.000 0.949 415 S CB -0.067 63.056 63.200 -0.128 0.000 0.766 415 S HN 0.623 nan 8.310 nan 0.000 0.517 416 E N 0.942 121.206 120.200 0.108 0.000 2.274 416 E HA 0.073 4.094 4.350 -0.549 0.000 0.194 416 E C 1.643 178.455 176.600 0.353 0.000 0.996 416 E CA 0.541 57.077 56.400 0.225 0.000 0.840 416 E CB -0.055 29.778 29.700 0.222 0.000 0.772 416 E HN 0.488 nan 8.360 nan 0.000 0.491 417 L N -0.460 120.918 121.223 0.258 0.000 2.500 417 L HA 0.161 4.171 4.340 -0.549 0.000 0.219 417 L C 2.436 179.378 176.870 0.119 0.000 1.057 417 L CA 0.102 55.067 54.840 0.208 0.000 0.854 417 L CB 0.145 42.298 42.059 0.157 0.000 1.078 417 L HN -0.082 nan 8.230 nan 0.000 0.480 418 R N -0.338 120.233 120.500 0.117 0.000 2.300 418 R HA 0.017 4.027 4.340 -0.549 0.000 0.199 418 R C 1.013 177.363 176.300 0.083 0.000 0.920 418 R CA 0.548 56.707 56.100 0.098 0.000 1.046 418 R CB 0.375 30.741 30.300 0.109 0.000 0.984 418 R HN 0.251 nan 8.270 nan 0.000 0.493 419 N N -0.565 118.186 118.700 0.085 0.000 2.200 419 N HA 0.096 4.507 4.740 -0.549 0.000 0.233 419 N C -0.253 175.305 175.510 0.079 0.000 1.236 419 N CA 0.390 53.474 53.050 0.057 0.000 0.845 419 N CB 0.882 39.376 38.487 0.012 0.000 1.257 419 N HN 0.017 nan 8.380 nan 0.000 0.472 420 K N 0.541 121.028 120.400 0.145 0.000 2.592 420 K HA 0.231 4.221 4.320 -0.549 0.000 0.203 420 K C -0.387 176.457 176.600 0.406 0.000 1.070 420 K CA -0.415 55.998 56.287 0.209 0.000 1.062 420 K CB 1.267 33.804 32.500 0.061 0.000 0.814 420 K HN -0.063 nan 8.250 nan 0.000 0.502 421 L N 1.354 122.755 121.223 0.296 0.000 2.453 421 L HA 0.223 4.234 4.340 -0.549 0.000 0.272 421 L C -0.469 176.535 176.870 0.223 0.000 1.182 421 L CA 0.023 54.945 54.840 0.136 0.000 0.858 421 L CB 0.126 42.151 42.059 -0.058 0.000 1.120 421 L HN 0.034 nan 8.230 nan 0.000 0.474 422 F N 4.717 124.641 119.950 -0.043 0.000 2.408 422 F HA 0.425 4.620 4.527 -0.554 0.000 0.344 422 F C -0.110 175.704 175.800 0.023 0.000 1.112 422 F CA -0.249 57.747 58.000 -0.006 0.000 1.096 422 F CB 0.797 39.746 39.000 -0.086 0.000 1.129 422 F HN 0.479 nan 8.300 nan 0.000 0.486 423 Q N 8.072 127.562 119.800 -0.517 0.000 2.293 423 Q HA 0.244 4.254 4.340 -0.549 0.000 0.261 423 Q C -1.821 173.702 176.000 -0.795 0.000 0.960 423 Q CA -1.870 53.626 55.803 -0.512 0.000 0.882 423 Q CB 1.976 30.297 28.738 -0.694 0.000 1.275 423 Q HN 0.428 nan 8.270 nan 0.000 0.445 424 P HA -0.251 nan 4.420 nan 0.000 0.216 424 P C 1.241 178.184 177.300 -0.596 0.000 1.157 424 P CA 2.126 64.769 63.100 -0.762 0.000 0.880 424 P CB 0.029 31.379 31.700 -0.584 0.000 0.791 425 T N -4.186 110.019 114.554 -0.582 0.000 2.851 425 T HA -0.072 3.949 4.350 -0.549 0.000 0.262 425 T C 1.285 175.629 174.700 -0.593 0.000 1.043 425 T CA 0.656 62.415 62.100 -0.568 0.000 1.140 425 T CB -1.020 67.478 68.868 -0.616 0.000 0.872 425 T HN 0.125 nan 8.240 nan 0.000 0.446 426 H N 1.286 120.110 119.070 -0.410 0.000 2.597 426 H HA 0.397 4.623 4.556 -0.551 0.000 0.370 426 H C 1.019 176.050 175.328 -0.494 0.000 1.281 426 H CA -0.019 55.843 56.048 -0.310 0.000 1.422 426 H CB 1.018 30.748 29.762 -0.054 0.000 1.524 426 H HN 0.282 nan 8.280 nan 0.000 0.607 427 K N 0.367 120.694 120.400 -0.121 0.000 2.262 427 K HA 0.094 4.085 4.320 -0.549 0.000 0.200 427 K C 0.680 177.472 176.600 0.321 0.000 1.058 427 K CA 0.257 56.476 56.287 -0.112 0.000 0.974 427 K CB 0.417 32.896 32.500 -0.036 0.000 0.910 427 K HN 0.360 nan 8.250 nan 0.000 0.484 428 V N 0.320 120.387 119.914 0.255 0.000 3.003 428 V HA 0.118 3.909 4.120 -0.549 0.000 0.305 428 V C -0.178 176.217 176.094 0.502 0.000 1.078 428 V CA -0.477 62.040 62.300 0.361 0.000 1.083 428 V CB 0.651 32.569 31.823 0.158 0.000 1.039 428 V HN 0.182 nan 8.190 nan 0.000 0.481 429 H N 2.145 121.446 119.070 0.385 0.000 2.588 429 H HA 0.611 4.840 4.556 -0.546 0.000 0.223 429 H C 0.784 176.255 175.328 0.239 0.000 1.804 429 H CA 0.395 56.702 56.048 0.431 0.000 1.269 429 H CB 0.284 30.291 29.762 0.409 0.000 1.670 429 H HN 1.072 nan 8.280 nan 0.000 0.539 430 G N 1.197 110.130 108.800 0.223 0.000 5.528 430 G HA2 0.098 3.729 3.960 -0.549 0.000 0.194 430 G HA3 0.098 3.729 3.960 -0.549 0.000 0.194 430 G C -0.720 174.125 174.900 -0.092 0.000 0.679 430 G CA -0.306 44.827 45.100 0.056 0.000 0.640 430 G HN 0.178 nan 8.290 nan 0.000 0.397 431 F N 0.466 120.446 119.950 0.049 0.000 2.408 431 F HA 0.579 4.779 4.527 -0.544 0.000 0.325 431 F C 0.108 175.922 175.800 0.023 0.000 1.082 431 F CA -0.632 57.381 58.000 0.020 0.000 1.032 431 F CB 1.744 40.730 39.000 -0.025 0.000 1.259 431 F HN 0.004 nan 8.300 nan 0.000 0.503 432 D N 1.866 122.405 120.400 0.231 0.000 2.453 432 D HA 0.150 4.461 4.640 -0.549 0.000 0.238 432 D C 0.542 176.880 176.300 0.065 0.000 1.088 432 D CA -0.370 53.704 54.000 0.123 0.000 0.854 432 D CB 1.322 42.183 40.800 0.101 0.000 1.076 432 D HN 0.403 nan 8.370 nan 0.000 0.533 433 L N 4.766 125.990 121.223 0.000 0.000 2.131 433 L HA 0.008 4.019 4.340 -0.549 0.000 0.210 433 L C 1.926 178.690 176.870 -0.176 0.000 1.092 433 L CA 2.215 56.980 54.840 -0.124 0.000 0.759 433 L CB -0.541 41.380 42.059 -0.231 0.000 0.903 433 L HN 0.500 nan 8.230 nan 0.000 0.435 434 A N -0.547 122.239 122.820 -0.056 0.000 1.898 434 A HA -0.053 3.938 4.320 -0.549 0.000 0.216 434 A C 2.439 179.953 177.584 -0.117 0.000 1.181 434 A CA 1.655 53.662 52.037 -0.050 0.000 0.620 434 A CB -1.065 18.071 19.000 0.227 0.000 0.819 434 A HN 0.543 nan 8.150 nan 0.000 0.442 435 A N -0.299 122.495 122.820 -0.043 0.000 1.929 435 A HA 0.019 4.009 4.320 -0.549 0.000 0.216 435 A C 2.085 179.586 177.584 -0.139 0.000 1.176 435 A CA 1.334 53.327 52.037 -0.073 0.000 0.628 435 A CB -0.537 18.437 19.000 -0.044 0.000 0.816 435 A HN 0.476 nan 8.150 nan 0.000 0.444 436 I N 0.176 120.701 120.570 -0.075 0.000 2.252 436 I HA -0.243 3.598 4.170 -0.549 0.000 0.245 436 I C 2.054 178.169 176.117 -0.004 0.000 1.102 436 I CA 0.993 62.316 61.300 0.038 0.000 1.385 436 I CB -0.387 37.678 38.000 0.108 0.000 1.064 436 I HN 0.282 nan 8.210 nan 0.000 0.414 437 N N 0.849 119.409 118.700 -0.233 0.000 2.166 437 N HA -0.126 4.285 4.740 -0.549 0.000 0.186 437 N C 1.909 177.289 175.510 -0.218 0.000 1.019 437 N CA 1.315 54.141 53.050 -0.372 0.000 0.856 437 N CB -0.304 37.449 38.487 -1.224 0.000 0.993 437 N HN 0.340 nan 8.380 nan 0.000 0.426 438 L N 0.624 121.725 121.223 -0.203 0.000 2.217 438 L HA -0.045 3.965 4.340 -0.549 0.000 0.211 438 L C 2.139 178.979 176.870 -0.051 0.000 1.107 438 L CA 0.769 55.578 54.840 -0.051 0.000 0.783 438 L CB -0.105 41.972 42.059 0.031 0.000 0.919 438 L HN 0.176 nan 8.230 nan 0.000 0.442 439 Q N -1.034 118.667 119.800 -0.166 0.000 2.376 439 Q HA -0.009 4.002 4.340 -0.549 0.000 0.206 439 Q C 2.122 178.209 176.000 0.146 0.000 0.921 439 Q CA 0.108 55.792 55.803 -0.199 0.000 0.911 439 Q CB 0.427 28.657 28.738 -0.846 0.000 1.032 439 Q HN 0.281 nan 8.270 nan 0.000 0.510 440 R N 0.002 120.674 120.500 0.286 0.000 2.090 440 R HA -0.056 3.955 4.340 -0.549 0.000 0.228 440 R C 2.162 178.629 176.300 0.280 0.000 1.110 440 R CA 0.663 57.089 56.100 0.545 0.000 0.973 440 R CB -0.905 29.755 30.300 0.600 0.000 0.869 440 R HN 0.317 nan 8.270 nan 0.000 0.440 441 C N 0.329 119.521 119.300 -0.180 0.000 2.398 441 C HA -0.127 4.004 4.460 -0.549 0.000 0.276 441 C C 2.755 177.684 174.990 -0.103 0.000 1.222 441 C CA 0.936 59.591 59.018 -0.604 0.000 1.746 441 C CB -0.752 26.760 27.740 -0.380 0.000 2.039 441 C HN 0.484 nan 8.230 nan 0.000 0.470 442 R N 0.172 120.739 120.500 0.111 0.000 2.090 442 R HA -0.108 3.903 4.340 -0.549 0.000 0.228 442 R C 1.872 178.370 176.300 0.329 0.000 1.110 442 R CA 1.641 57.892 56.100 0.253 0.000 0.973 442 R CB -0.449 30.056 30.300 0.342 0.000 0.869 442 R HN 0.554 nan 8.270 nan 0.000 0.440 443 D N 0.245 120.906 120.400 0.435 0.000 2.097 443 D HA -0.166 4.145 4.640 -0.549 0.000 0.195 443 D C 1.537 178.092 176.300 0.424 0.000 0.989 443 D CA 1.333 55.612 54.000 0.464 0.000 0.827 443 D CB -0.068 41.116 40.800 0.640 0.000 0.966 443 D HN 0.336 nan 8.370 nan 0.000 0.456 444 H N -1.022 118.224 119.070 0.294 0.000 2.559 444 H HA 0.134 4.364 4.556 -0.544 0.000 0.273 444 H C 1.058 176.456 175.328 0.116 0.000 1.000 444 H CA 0.653 56.867 56.048 0.277 0.000 1.195 444 H CB 0.212 30.216 29.762 0.402 0.000 1.368 444 H HN 0.336 nan 8.280 nan 0.000 0.592 445 G N 1.428 110.266 108.800 0.063 0.000 2.225 445 G HA2 -0.258 3.373 3.960 -0.549 0.000 0.264 445 G HA3 -0.258 3.373 3.960 -0.549 0.000 0.264 445 G C 0.262 175.056 174.900 -0.177 0.000 1.060 445 G CA -0.093 44.740 45.100 -0.444 0.000 0.833 445 G HN 0.105 nan 8.290 nan 0.000 0.498 446 M N 0.161 119.761 119.600 0.001 0.000 2.251 446 M HA 0.159 4.310 4.480 -0.549 0.000 0.343 446 M C -1.649 174.711 176.300 0.100 0.000 1.245 446 M CA -1.401 53.962 55.300 0.106 0.000 1.061 446 M CB -0.338 32.275 32.600 0.022 0.000 1.723 446 M HN 0.045 nan 8.290 nan 0.000 0.449 447 P HA 0.188 nan 4.420 nan 0.000 0.274 447 P C 0.318 177.644 177.300 0.042 0.000 1.237 447 P CA -0.276 62.785 63.100 -0.065 0.000 0.793 447 P CB 0.406 31.875 31.700 -0.386 0.000 0.977 448 G N 0.112 108.897 108.800 -0.024 0.000 2.647 448 G HA2 -0.118 3.512 3.960 -0.549 0.000 0.271 448 G HA3 -0.118 3.512 3.960 -0.549 0.000 0.271 448 G C 0.385 175.396 174.900 0.186 0.000 1.300 448 G CA -0.101 45.036 45.100 0.062 0.000 0.997 448 G HN 0.475 nan 8.290 nan 0.000 0.533 449 Y N 0.268 120.599 120.300 0.051 0.000 2.151 449 Y HA -0.213 4.006 4.550 -0.552 0.000 0.284 449 Y C 2.619 178.582 175.900 0.106 0.000 1.166 449 Y CA 2.535 60.688 58.100 0.089 0.000 1.163 449 Y CB -0.102 38.344 38.460 -0.022 0.000 0.974 449 Y HN 0.422 nan 8.280 nan 0.000 0.511 450 N N -0.528 118.157 118.700 -0.024 0.000 2.250 450 N HA -0.122 4.289 4.740 -0.549 0.000 0.181 450 N C 2.016 177.456 175.510 -0.116 0.000 1.017 450 N CA 1.366 54.339 53.050 -0.128 0.000 0.866 450 N CB -0.456 38.010 38.487 -0.034 0.000 0.985 450 N HN 0.305 nan 8.380 nan 0.000 0.429 451 S N 0.188 115.798 115.700 -0.150 0.000 2.359 451 S HA -0.163 3.978 4.470 -0.549 0.000 0.223 451 S C 1.760 176.238 174.600 -0.203 0.000 1.039 451 S CA 1.254 59.302 58.200 -0.253 0.000 1.042 451 S CB -0.568 62.352 63.200 -0.468 0.000 0.915 451 S HN 0.502 nan 8.310 nan 0.000 0.439 452 W N 1.812 123.108 121.300 -0.008 0.000 2.358 452 W HA -0.023 4.317 4.660 -0.534 0.000 0.303 452 W C 2.696 179.232 176.519 0.028 0.000 1.208 452 W CA 0.096 57.455 57.345 0.023 0.000 1.274 452 W CB -0.199 29.247 29.460 -0.022 0.000 1.138 452 W HN 0.104 nan 8.180 nan 0.000 0.515 453 R N 0.155 120.683 120.500 0.046 0.000 2.094 453 R HA -0.154 3.856 4.340 -0.549 0.000 0.239 453 R C 2.349 178.675 176.300 0.042 0.000 1.137 453 R CA 1.820 57.874 56.100 -0.075 0.000 0.943 453 R CB -1.669 28.438 30.300 -0.322 0.000 0.850 453 R HN 0.377 nan 8.270 nan 0.000 0.433 454 G N 0.158 108.977 108.800 0.031 0.000 2.402 454 G HA2 -0.284 3.346 3.960 -0.549 0.000 0.216 454 G HA3 -0.284 3.346 3.960 -0.549 0.000 0.216 454 G C 1.429 176.386 174.900 0.096 0.000 1.162 454 G CA 0.461 45.585 45.100 0.039 0.000 0.777 454 G HN 0.328 nan 8.290 nan 0.000 0.539 455 F N 1.204 121.163 119.950 0.015 0.000 2.115 455 F HA -0.233 3.965 4.527 -0.547 0.000 0.300 455 F C 2.325 178.188 175.800 0.105 0.000 1.092 455 F CA 1.764 59.806 58.000 0.069 0.000 1.245 455 F CB -0.258 38.852 39.000 0.183 0.000 0.995 455 F HN 0.187 nan 8.300 nan 0.000 0.481 456 c N 0.563 119.311 118.600 0.248 0.000 2.618 456 c HA 0.409 4.649 4.570 -0.549 0.000 0.264 456 c C 1.464 175.631 174.090 0.129 0.000 1.334 456 c CA 0.654 57.087 56.329 0.173 0.000 1.731 456 c CB -1.200 41.456 42.510 0.242 0.000 1.852 456 c HN 0.894 nan 8.230 nan 0.000 0.566 457 G N 0.982 109.822 108.800 0.067 0.000 2.370 457 G HA2 -0.140 3.491 3.960 -0.549 0.000 0.268 457 G HA3 -0.140 3.491 3.960 -0.549 0.000 0.268 457 G C -0.829 174.101 174.900 0.050 0.000 1.122 457 G CA -0.306 44.817 45.100 0.038 0.000 0.963 457 G HN 0.313 nan 8.290 nan 0.000 0.500 458 L N 0.621 121.869 121.223 0.042 0.000 2.388 458 L HA 0.739 4.749 4.340 -0.549 0.000 0.264 458 L C 1.055 177.928 176.870 0.005 0.000 0.998 458 L CA -0.479 54.380 54.840 0.031 0.000 0.817 458 L CB 1.863 43.944 42.059 0.037 0.000 1.338 458 L HN 0.676 nan 8.230 nan 0.000 0.414 459 S N 1.183 116.889 115.700 0.010 0.000 2.626 459 S HA 0.039 4.180 4.470 -0.549 0.000 0.303 459 S C -0.041 174.556 174.600 -0.005 0.000 1.256 459 S CA -0.287 57.917 58.200 0.007 0.000 1.069 459 S CB -0.257 62.953 63.200 0.018 0.000 0.807 459 S HN 0.578 nan 8.310 nan 0.000 0.500 460 Q N 3.658 123.453 119.800 -0.009 0.000 2.441 460 Q HA 0.290 4.301 4.340 -0.549 0.000 0.234 460 Q C -2.353 173.660 176.000 0.020 0.000 1.078 460 Q CA -1.835 53.958 55.803 -0.017 0.000 0.907 460 Q CB 0.338 29.063 28.738 -0.021 0.000 1.269 460 Q HN 0.552 nan 8.270 nan 0.000 0.502 461 P HA 0.031 nan 4.420 nan 0.000 0.271 461 P C -0.255 177.087 177.300 0.069 0.000 1.220 461 P CA -0.023 63.121 63.100 0.074 0.000 0.768 461 P CB 1.040 32.813 31.700 0.121 0.000 0.848 462 K N 0.124 120.554 120.400 0.050 0.000 2.474 462 K HA 0.117 4.107 4.320 -0.549 0.000 0.204 462 K C 0.748 177.370 176.600 0.037 0.000 1.220 462 K CA 0.412 56.726 56.287 0.045 0.000 0.966 462 K CB 0.514 33.038 32.500 0.040 0.000 1.049 462 K HN 0.540 nan 8.250 nan 0.000 0.554 463 T N -1.842 112.731 114.554 0.032 0.000 2.952 463 T HA 0.322 4.343 4.350 -0.549 0.000 0.286 463 T C 1.155 175.866 174.700 0.019 0.000 1.024 463 T CA -0.809 61.305 62.100 0.024 0.000 1.029 463 T CB 1.810 70.692 68.868 0.023 0.000 1.094 463 T HN -0.051 nan 8.240 nan 0.000 0.515 464 L N 0.634 121.863 121.223 0.011 0.000 2.012 464 L HA -0.064 3.946 4.340 -0.549 0.000 0.210 464 L C 2.917 179.793 176.870 0.011 0.000 1.073 464 L CA 1.708 56.551 54.840 0.006 0.000 0.748 464 L CB -0.351 41.710 42.059 0.004 0.000 0.891 464 L HN 0.873 nan 8.230 nan 0.000 0.431 465 K N -0.757 119.651 120.400 0.013 0.000 2.147 465 K HA -0.146 3.845 4.320 -0.549 0.000 0.205 465 K C 1.881 178.492 176.600 0.019 0.000 1.049 465 K CA 1.268 57.563 56.287 0.014 0.000 0.936 465 K CB -0.262 32.246 32.500 0.014 0.000 0.722 465 K HN 0.468 nan 8.250 nan 0.000 0.446 466 G N 1.492 110.306 108.800 0.023 0.000 2.433 466 G HA2 -0.255 3.375 3.960 -0.549 0.000 0.216 466 G HA3 -0.255 3.375 3.960 -0.549 0.000 0.216 466 G C 1.379 176.303 174.900 0.040 0.000 1.186 466 G CA 0.692 45.811 45.100 0.032 0.000 0.779 466 G HN 0.275 nan 8.290 nan 0.000 0.543 467 L N 0.471 121.718 121.223 0.040 0.000 2.079 467 L HA -0.099 3.912 4.340 -0.549 0.000 0.210 467 L C 3.018 179.903 176.870 0.025 0.000 1.081 467 L CA 1.932 56.797 54.840 0.041 0.000 0.752 467 L CB -0.501 41.568 42.059 0.016 0.000 0.896 467 L HN 0.324 nan 8.230 nan 0.000 0.433 468 Q N -1.052 118.758 119.800 0.016 0.000 2.077 468 Q HA -0.279 3.732 4.340 -0.549 0.000 0.206 468 Q C 2.262 178.272 176.000 0.016 0.000 0.989 468 Q CA 1.971 57.780 55.803 0.011 0.000 0.853 468 Q CB -0.434 28.309 28.738 0.009 0.000 0.907 468 Q HN 0.705 nan 8.270 nan 0.000 0.418 469 A N 0.035 122.869 122.820 0.022 0.000 1.940 469 A HA -0.146 3.845 4.320 -0.549 0.000 0.219 469 A C 2.261 179.863 177.584 0.030 0.000 1.176 469 A CA 1.482 53.533 52.037 0.023 0.000 0.631 469 A CB -0.511 18.504 19.000 0.024 0.000 0.814 469 A HN 0.234 nan 8.150 nan 0.000 0.446 470 V N -0.919 119.021 119.914 0.043 0.000 2.346 470 V HA -0.118 3.673 4.120 -0.549 0.000 0.244 470 V C 2.169 178.291 176.094 0.046 0.000 1.037 470 V CA 1.483 63.819 62.300 0.060 0.000 1.029 470 V CB -0.540 31.348 31.823 0.107 0.000 0.663 470 V HN 0.446 nan 8.190 nan 0.000 0.454 471 L N -0.441 120.799 121.223 0.028 0.000 2.554 471 L HA 0.184 4.195 4.340 -0.549 0.000 0.226 471 L C 1.202 178.072 176.870 0.001 0.000 1.137 471 L CA 0.704 55.547 54.840 0.005 0.000 0.863 471 L CB -1.043 41.003 42.059 -0.021 0.000 0.985 471 L HN 0.324 nan 8.230 nan 0.000 0.451 472 K N 0.945 121.350 120.400 0.008 0.000 3.078 472 K HA -0.251 3.740 4.320 -0.549 0.000 0.261 472 K C -0.038 176.562 176.600 -0.000 0.000 0.947 472 K CA 0.574 56.864 56.287 0.005 0.000 0.702 472 K CB -1.397 31.106 32.500 0.005 0.000 1.318 472 K HN 0.326 nan 8.250 nan 0.000 0.473 473 N N 0.138 118.836 118.700 -0.002 0.000 2.697 473 N HA 0.081 4.491 4.740 -0.549 0.000 0.271 473 N C -0.038 175.469 175.510 -0.004 0.000 1.149 473 N CA -0.508 52.539 53.050 -0.005 0.000 0.939 473 N CB 1.451 39.932 38.487 -0.010 0.000 1.534 473 N HN 0.110 nan 8.380 nan 0.000 0.556 474 K N 1.922 122.322 120.400 -0.001 0.000 2.062 474 K HA 0.046 4.037 4.320 -0.549 0.000 0.205 474 K C 1.091 177.691 176.600 0.000 0.000 1.051 474 K CA 1.176 57.463 56.287 0.001 0.000 0.941 474 K CB 0.303 32.805 32.500 0.003 0.000 0.719 474 K HN 0.312 nan 8.250 nan 0.000 0.440 475 V N 1.733 121.647 119.914 0.001 0.000 2.358 475 V HA -0.222 3.568 4.120 -0.549 0.000 0.246 475 V C 2.258 178.353 176.094 0.003 0.000 1.047 475 V CA 1.401 63.703 62.300 0.004 0.000 1.035 475 V CB -0.462 31.365 31.823 0.006 0.000 0.658 475 V HN 0.353 nan 8.190 nan 0.000 0.452 476 L N 1.338 122.559 121.223 -0.002 0.000 2.027 476 L HA -0.021 3.990 4.340 -0.549 0.000 0.206 476 L C 2.423 179.285 176.870 -0.012 0.000 1.074 476 L CA 2.396 57.232 54.840 -0.006 0.000 0.745 476 L CB -1.014 41.035 42.059 -0.016 0.000 0.898 476 L HN 0.190 nan 8.230 nan 0.000 0.433 477 A N -0.647 122.162 122.820 -0.018 0.000 2.019 477 A HA -0.246 3.744 4.320 -0.549 0.000 0.219 477 A C 2.438 180.014 177.584 -0.012 0.000 1.164 477 A CA 1.911 53.934 52.037 -0.024 0.000 0.644 477 A CB -0.593 18.396 19.000 -0.018 0.000 0.805 477 A HN 0.558 nan 8.150 nan 0.000 0.449 478 K N -0.130 120.268 120.400 -0.004 0.000 2.076 478 K HA -0.067 3.923 4.320 -0.549 0.000 0.204 478 K C 1.957 178.560 176.600 0.005 0.000 1.051 478 K CA 1.368 57.655 56.287 -0.000 0.000 0.949 478 K CB -0.139 32.362 32.500 0.002 0.000 0.726 478 K HN 0.405 nan 8.250 nan 0.000 0.443 479 K N 0.625 121.032 120.400 0.010 0.000 2.057 479 K HA -0.115 3.876 4.320 -0.549 0.000 0.207 479 K C 2.123 178.746 176.600 0.038 0.000 1.049 479 K CA 1.329 57.628 56.287 0.020 0.000 0.931 479 K CB -0.139 32.376 32.500 0.024 0.000 0.714 479 K HN 0.133 nan 8.250 nan 0.000 0.440 480 L N 0.814 122.063 121.223 0.044 0.000 2.012 480 L HA -0.228 3.783 4.340 -0.549 0.000 0.210 480 L C 2.292 179.237 176.870 0.125 0.000 1.073 480 L CA 1.303 56.201 54.840 0.096 0.000 0.748 480 L CB -0.283 41.778 42.059 0.002 0.000 0.891 480 L HN 0.204 nan 8.230 nan 0.000 0.431 481 L N -0.959 120.288 121.223 0.040 0.000 2.156 481 L HA -0.168 3.843 4.340 -0.549 0.000 0.208 481 L C 2.020 178.879 176.870 -0.019 0.000 1.095 481 L CA 0.581 55.426 54.840 0.008 0.000 0.770 481 L CB -0.513 41.532 42.059 -0.023 0.000 0.914 481 L HN 0.240 nan 8.230 nan 0.000 0.439 482 D N 0.100 120.494 120.400 -0.010 0.000 2.221 482 D HA -0.156 4.154 4.640 -0.549 0.000 0.204 482 D C 2.237 178.511 176.300 -0.044 0.000 0.982 482 D CA 1.205 55.191 54.000 -0.024 0.000 0.857 482 D CB 0.120 40.913 40.800 -0.011 0.000 0.934 482 D HN 0.300 nan 8.370 nan 0.000 0.475 483 L N -1.347 119.850 121.223 -0.043 0.000 2.200 483 L HA -0.023 3.988 4.340 -0.549 0.000 0.200 483 L C 1.809 178.553 176.870 -0.211 0.000 1.072 483 L CA 0.441 55.201 54.840 -0.133 0.000 0.787 483 L CB 0.013 41.968 42.059 -0.174 0.000 0.957 483 L HN -0.026 nan 8.230 nan 0.000 0.459 484 Y N -0.305 119.941 120.300 -0.090 0.000 2.517 484 Y HA -0.039 4.182 4.550 -0.550 0.000 0.281 484 Y C 1.391 177.137 175.900 -0.257 0.000 1.125 484 Y CA 0.051 58.081 58.100 -0.117 0.000 1.283 484 Y CB 0.342 38.748 38.460 -0.089 0.000 1.042 484 Y HN -0.001 nan 8.280 nan 0.000 0.547 485 K N -0.763 119.517 120.400 -0.200 0.000 3.495 485 K HA -0.253 3.738 4.320 -0.549 0.000 0.288 485 K C 0.435 176.676 176.600 -0.598 0.000 0.908 485 K CA 1.684 57.649 56.287 -0.538 0.000 1.231 485 K CB -1.716 30.154 32.500 -1.050 0.000 1.399 485 K HN 0.381 nan 8.250 nan 0.000 0.465 486 T N -0.757 113.581 114.554 -0.360 0.000 2.932 486 T HA 0.469 4.490 4.350 -0.549 0.000 0.318 486 T C -2.639 172.035 174.700 -0.043 0.000 1.265 486 T CA -1.267 60.735 62.100 -0.163 0.000 1.036 486 T CB 2.262 71.089 68.868 -0.069 0.000 1.209 486 T HN -0.243 nan 8.240 nan 0.000 0.484 487 P HA 0.100 nan 4.420 nan 0.000 0.229 487 P C 0.853 178.201 177.300 0.081 0.000 1.160 487 P CA 0.459 63.577 63.100 0.031 0.000 0.777 487 P CB 0.195 31.949 31.700 0.091 0.000 0.814 488 D N -0.504 119.933 120.400 0.062 0.000 2.218 488 D HA -0.116 4.195 4.640 -0.549 0.000 0.204 488 D C 1.177 177.493 176.300 0.027 0.000 0.976 488 D CA 1.109 55.140 54.000 0.052 0.000 0.853 488 D CB -0.388 40.443 40.800 0.052 0.000 0.939 488 D HN 0.162 nan 8.370 nan 0.000 0.481 489 N N -0.259 118.453 118.700 0.020 0.000 2.325 489 N HA 0.121 4.532 4.740 -0.549 0.000 0.182 489 N C 0.347 175.814 175.510 -0.072 0.000 1.088 489 N CA -0.114 52.954 53.050 0.030 0.000 0.879 489 N CB 0.522 39.092 38.487 0.138 0.000 0.983 489 N HN 0.191 nan 8.380 nan 0.000 0.471 490 I N 1.898 122.257 120.570 -0.351 0.000 2.821 490 I HA -0.119 3.721 4.170 -0.549 0.000 0.294 490 I C 0.174 176.061 176.117 -0.383 0.000 1.210 490 I CA 0.389 61.145 61.300 -0.905 0.000 1.430 490 I CB 0.179 37.757 38.000 -0.704 0.000 1.356 490 I HN -0.021 nan 8.210 nan 0.000 0.563 491 D N 5.863 126.063 120.400 -0.334 0.000 2.455 491 D HA -0.035 4.275 4.640 -0.549 0.000 0.241 491 D C 1.122 177.457 176.300 0.058 0.000 1.138 491 D CA -0.022 53.986 54.000 0.014 0.000 0.877 491 D CB 1.308 42.208 40.800 0.167 0.000 1.187 491 D HN 0.470 nan 8.370 nan 0.000 0.451 492 I N 3.155 123.797 120.570 0.120 0.000 2.185 492 I HA -0.252 3.589 4.170 -0.549 0.000 0.246 492 I C 1.850 178.064 176.117 0.163 0.000 1.088 492 I CA 1.522 62.918 61.300 0.160 0.000 1.347 492 I CB -0.153 37.885 38.000 0.063 0.000 1.041 492 I HN 0.613 nan 8.210 nan 0.000 0.415 493 W N 0.944 122.245 121.300 0.003 0.000 2.332 493 W HA -0.250 4.068 4.660 -0.570 0.000 0.321 493 W C 2.503 179.054 176.519 0.053 0.000 1.219 493 W CA 2.624 60.005 57.345 0.061 0.000 1.277 493 W CB -0.636 28.886 29.460 0.104 0.000 1.161 493 W HN 0.271 nan 8.180 nan 0.000 0.476 494 I N 0.345 120.971 120.570 0.094 0.000 2.353 494 I HA -0.054 3.787 4.170 -0.549 0.000 0.248 494 I C 2.323 178.302 176.117 -0.230 0.000 1.119 494 I CA 2.032 63.238 61.300 -0.157 0.000 1.417 494 I CB -0.921 37.129 38.000 0.084 0.000 1.078 494 I HN 0.122 nan 8.210 nan 0.000 0.421 495 G N 0.007 108.668 108.800 -0.232 0.000 2.421 495 G HA2 -0.209 3.422 3.960 -0.549 0.000 0.216 495 G HA3 -0.209 3.422 3.960 -0.549 0.000 0.216 495 G C 1.621 176.377 174.900 -0.240 0.000 1.171 495 G CA 0.639 45.444 45.100 -0.491 0.000 0.775 495 G HN 0.515 nan 8.290 nan 0.000 0.543 496 G N 0.534 109.356 108.800 0.037 0.000 2.422 496 G HA2 -0.201 3.430 3.960 -0.549 0.000 0.218 496 G HA3 -0.201 3.430 3.960 -0.549 0.000 0.218 496 G C 1.689 176.563 174.900 -0.043 0.000 1.146 496 G CA 1.072 46.228 45.100 0.093 0.000 0.769 496 G HN 0.532 nan 8.290 nan 0.000 0.547 497 N N 0.424 119.017 118.700 -0.177 0.000 2.300 497 N HA 0.116 4.527 4.740 -0.549 0.000 0.179 497 N C 2.423 177.835 175.510 -0.164 0.000 1.016 497 N CA 0.685 53.603 53.050 -0.220 0.000 0.876 497 N CB -0.065 38.144 38.487 -0.464 0.000 0.979 497 N HN 0.317 nan 8.380 nan 0.000 0.432 498 A N 1.104 123.819 122.820 -0.174 0.000 1.969 498 A HA -0.089 3.902 4.320 -0.549 0.000 0.218 498 A C 0.757 178.292 177.584 -0.082 0.000 1.169 498 A CA 0.767 52.722 52.037 -0.136 0.000 0.635 498 A CB -0.247 18.650 19.000 -0.171 0.000 0.810 498 A HN 0.294 nan 8.150 nan 0.000 0.445 499 E N 0.662 120.829 120.200 -0.054 0.000 2.481 499 E HA 0.103 4.124 4.350 -0.549 0.000 0.263 499 E C -2.274 174.319 176.600 -0.012 0.000 0.992 499 E CA -1.274 55.124 56.400 -0.002 0.000 0.938 499 E CB 0.088 29.819 29.700 0.051 0.000 0.933 499 E HN 0.286 nan 8.360 nan 0.000 0.453 500 P HA -0.018 nan 4.420 nan 0.000 0.272 500 P C -0.496 176.800 177.300 -0.007 0.000 1.230 500 P CA 0.188 63.284 63.100 -0.007 0.000 0.788 500 P CB 0.530 32.230 31.700 -0.001 0.000 0.949 501 M N 1.242 120.834 119.600 -0.013 0.000 2.238 501 M HA 0.129 4.280 4.480 -0.549 0.000 0.347 501 M C 0.640 176.931 176.300 -0.015 0.000 1.173 501 M CA -0.518 54.770 55.300 -0.020 0.000 1.147 501 M CB 0.484 33.071 32.600 -0.021 0.000 1.547 501 M HN 0.163 nan 8.290 nan 0.000 0.455 502 V N -0.011 119.892 119.914 -0.018 0.000 3.566 502 V HA 0.122 3.912 4.120 -0.549 0.000 0.301 502 V C 0.292 176.376 176.094 -0.017 0.000 1.105 502 V CA -0.623 61.672 62.300 -0.008 0.000 1.142 502 V CB 0.295 32.119 31.823 0.002 0.000 1.107 502 V HN 0.912 nan 8.190 nan 0.000 0.481 503 E N 1.091 121.284 120.200 -0.012 0.000 2.344 503 E HA 0.182 4.203 4.350 -0.549 0.000 0.270 503 E C 0.309 176.891 176.600 -0.030 0.000 1.021 503 E CA -0.156 56.232 56.400 -0.019 0.000 0.887 503 E CB 0.197 29.888 29.700 -0.014 0.000 0.997 503 E HN 0.721 nan 8.360 nan 0.000 0.429 504 R N 1.006 121.481 120.500 -0.040 0.000 3.989 504 R HA -0.183 3.828 4.340 -0.549 0.000 0.377 504 R C 0.142 176.397 176.300 -0.075 0.000 1.158 504 R CA 0.935 57.002 56.100 -0.055 0.000 1.035 504 R CB -2.036 28.236 30.300 -0.048 0.000 1.557 504 R HN 0.675 nan 8.270 nan 0.000 0.551 505 G N -0.962 107.795 108.800 -0.071 0.000 3.140 505 G HA2 0.614 4.244 3.960 -0.549 0.000 0.271 505 G HA3 0.614 4.244 3.960 -0.549 0.000 0.271 505 G C 0.191 175.043 174.900 -0.079 0.000 1.370 505 G CA -0.611 44.436 45.100 -0.089 0.000 1.014 505 G HN -0.020 nan 8.290 nan 0.000 0.541 506 R N -0.612 119.847 120.500 -0.068 0.000 2.596 506 R HA 0.290 4.300 4.340 -0.549 0.000 0.369 506 R C -0.079 176.185 176.300 -0.059 0.000 1.042 506 R CA -0.020 56.079 56.100 -0.003 0.000 1.120 506 R CB 0.361 30.766 30.300 0.174 0.000 1.353 506 R HN 0.501 nan 8.270 nan 0.000 0.564 507 V N -3.835 115.994 119.914 -0.143 0.000 3.078 507 V HA 0.885 4.676 4.120 -0.549 0.000 0.311 507 V C 0.387 176.417 176.094 -0.106 0.000 1.138 507 V CA -1.244 60.943 62.300 -0.189 0.000 1.007 507 V CB 1.745 33.331 31.823 -0.395 0.000 1.045 507 V HN 0.050 nan 8.190 nan 0.000 0.432 508 G N 0.313 109.067 108.800 -0.076 0.000 2.557 508 G HA2 0.577 4.208 3.960 -0.549 0.000 0.292 508 G HA3 0.577 4.208 3.960 -0.549 0.000 0.292 508 G C -1.636 173.259 174.900 -0.009 0.000 1.237 508 G CA -1.194 43.890 45.100 -0.027 0.000 0.978 508 G HN 0.617 nan 8.290 nan 0.000 0.498 509 P HA -0.199 nan 4.420 nan 0.000 0.218 509 P C 2.060 179.393 177.300 0.055 0.000 1.165 509 P CA 0.982 64.120 63.100 0.064 0.000 0.922 509 P CB 0.070 31.815 31.700 0.075 0.000 0.794 510 L N -1.472 119.782 121.223 0.052 0.000 2.056 510 L HA -0.081 3.930 4.340 -0.549 0.000 0.207 510 L C 2.413 179.275 176.870 -0.014 0.000 1.078 510 L CA 1.641 56.508 54.840 0.044 0.000 0.749 510 L CB -1.388 40.718 42.059 0.078 0.000 0.901 510 L HN -0.138 nan 8.230 nan 0.000 0.433 511 L N -0.639 120.562 121.223 -0.038 0.000 2.056 511 L HA -0.120 3.891 4.340 -0.549 0.000 0.207 511 L C 2.686 179.460 176.870 -0.161 0.000 1.078 511 L CA 1.022 55.804 54.840 -0.096 0.000 0.749 511 L CB -0.896 41.089 42.059 -0.123 0.000 0.901 511 L HN 0.364 nan 8.230 nan 0.000 0.433 512 A N -0.650 122.076 122.820 -0.157 0.000 1.948 512 A HA -0.320 3.670 4.320 -0.549 0.000 0.220 512 A C 2.518 179.842 177.584 -0.434 0.000 1.177 512 A CA 2.043 53.968 52.037 -0.186 0.000 0.636 512 A CB -1.285 17.690 19.000 -0.041 0.000 0.815 512 A HN 0.629 nan 8.150 nan 0.000 0.449 513 c N -0.577 117.716 118.600 -0.510 0.000 2.496 513 c HA -0.018 4.223 4.570 -0.549 0.000 0.281 513 c C 2.586 176.275 174.090 -0.667 0.000 1.250 513 c CA 1.226 56.910 56.329 -1.076 0.000 1.717 513 c CB -1.589 40.611 42.510 -0.518 0.000 2.082 513 c HN 0.579 nan 8.230 nan 0.000 0.472 514 L N 0.654 121.756 121.223 -0.202 0.000 2.013 514 L HA -0.181 3.830 4.340 -0.549 0.000 0.212 514 L C 2.715 179.671 176.870 0.142 0.000 1.073 514 L CA 1.772 56.659 54.840 0.079 0.000 0.753 514 L CB -0.624 41.446 42.059 0.018 0.000 0.890 514 L HN 0.449 nan 8.230 nan 0.000 0.432 515 L N -0.896 120.352 121.223 0.042 0.000 2.027 515 L HA -0.116 3.895 4.340 -0.549 0.000 0.206 515 L C 2.722 179.698 176.870 0.178 0.000 1.074 515 L CA 1.364 56.316 54.840 0.187 0.000 0.745 515 L CB -1.255 40.823 42.059 0.032 0.000 0.898 515 L HN 0.327 nan 8.230 nan 0.000 0.433 516 G N -0.045 108.712 108.800 -0.072 0.000 2.469 516 G HA2 -0.276 3.355 3.960 -0.549 0.000 0.219 516 G HA3 -0.276 3.355 3.960 -0.549 0.000 0.219 516 G C 1.746 176.705 174.900 0.097 0.000 1.150 516 G CA 0.749 45.833 45.100 -0.028 0.000 0.763 516 G HN 0.291 nan 8.290 nan 0.000 0.561 517 R N -0.474 120.011 120.500 -0.025 0.000 2.075 517 R HA -0.040 3.970 4.340 -0.549 0.000 0.232 517 R C 2.666 179.062 176.300 0.161 0.000 1.126 517 R CA 1.451 57.600 56.100 0.082 0.000 0.963 517 R CB -0.347 29.905 30.300 -0.080 0.000 0.858 517 R HN 0.383 nan 8.270 nan 0.000 0.435 518 Q N 0.317 120.213 119.800 0.161 0.000 2.050 518 Q HA -0.134 3.877 4.340 -0.549 0.000 0.202 518 Q C 1.629 177.518 176.000 -0.185 0.000 0.980 518 Q CA 1.784 57.501 55.803 -0.143 0.000 0.840 518 Q CB -0.218 27.975 28.738 -0.909 0.000 0.898 518 Q HN 0.218 nan 8.270 nan 0.000 0.424 519 F N 0.598 120.537 119.950 -0.019 0.000 2.269 519 F HA -0.155 4.022 4.527 -0.585 0.000 0.301 519 F C 2.363 178.325 175.800 0.270 0.000 1.082 519 F CA 1.470 59.537 58.000 0.111 0.000 1.360 519 F CB -0.398 38.563 39.000 -0.065 0.000 1.041 519 F HN 0.355 nan 8.300 nan 0.000 0.512 520 Q N -0.055 119.946 119.800 0.336 0.000 2.123 520 Q HA -0.178 3.833 4.340 -0.549 0.000 0.199 520 Q C 1.836 177.931 176.000 0.158 0.000 0.966 520 Q CA 1.429 57.383 55.803 0.251 0.000 0.845 520 Q CB -0.732 28.141 28.738 0.225 0.000 0.907 520 Q HN 0.420 nan 8.270 nan 0.000 0.439 521 Q N 0.766 120.649 119.800 0.138 0.000 2.119 521 Q HA -0.072 3.938 4.340 -0.549 0.000 0.201 521 Q C 2.197 178.266 176.000 0.116 0.000 0.972 521 Q CA 1.720 57.592 55.803 0.115 0.000 0.847 521 Q CB -0.237 28.575 28.738 0.123 0.000 0.903 521 Q HN 0.761 nan 8.270 nan 0.000 0.433 522 I N -2.270 118.362 120.570 0.103 0.000 3.059 522 I HA -0.023 3.818 4.170 -0.549 0.000 0.270 522 I C 2.303 178.528 176.117 0.180 0.000 1.238 522 I CA 0.628 62.016 61.300 0.147 0.000 1.478 522 I CB -0.121 37.938 38.000 0.099 0.000 1.097 522 I HN -0.028 nan 8.210 nan 0.000 0.455 523 R N 1.490 121.995 120.500 0.008 0.000 2.057 523 R HA -0.080 3.931 4.340 -0.549 0.000 0.224 523 R C 1.591 177.743 176.300 -0.247 0.000 1.136 523 R CA 1.764 57.557 56.100 -0.511 0.000 0.968 523 R CB -0.109 29.607 30.300 -0.974 0.000 0.863 523 R HN 0.226 nan 8.270 nan 0.000 0.433 524 D N -0.388 120.005 120.400 -0.012 0.000 2.224 524 D HA -0.028 4.282 4.640 -0.549 0.000 0.205 524 D C 1.404 177.875 176.300 0.284 0.000 0.965 524 D CA 1.383 55.479 54.000 0.160 0.000 0.852 524 D CB -0.135 40.738 40.800 0.120 0.000 0.947 524 D HN 0.519 nan 8.370 nan 0.000 0.494 525 G N -0.343 108.629 108.800 0.287 0.000 3.141 525 G HA2 -0.031 3.599 3.960 -0.549 0.000 0.218 525 G HA3 -0.031 3.599 3.960 -0.549 0.000 0.218 525 G C -0.136 175.127 174.900 0.605 0.000 1.170 525 G CA -0.238 45.108 45.100 0.410 0.000 0.769 525 G HN 0.038 nan 8.290 nan 0.000 0.546 526 D N -0.221 120.478 120.400 0.498 0.000 2.373 526 D HA 0.231 4.541 4.640 -0.549 0.000 0.227 526 D C 1.434 177.725 176.300 -0.015 0.000 1.091 526 D CA -0.743 53.478 54.000 0.369 0.000 0.840 526 D CB 1.123 42.209 40.800 0.477 0.000 1.060 526 D HN 0.044 nan 8.370 nan 0.000 0.502 527 R N 2.780 123.015 120.500 -0.442 0.000 2.237 527 R HA -0.023 3.988 4.340 -0.549 0.000 0.219 527 R C 0.465 176.417 176.300 -0.581 0.000 1.080 527 R CA 1.138 56.626 56.100 -1.021 0.000 0.995 527 R CB 0.004 29.760 30.300 -0.906 0.000 0.875 527 R HN 0.408 nan 8.270 nan 0.000 0.462 528 F N -0.910 118.913 119.950 -0.212 0.000 2.661 528 F HA 0.164 4.361 4.527 -0.549 0.000 0.306 528 F C 0.322 176.167 175.800 0.076 0.000 1.094 528 F CA -0.852 57.088 58.000 -0.100 0.000 1.254 528 F CB 0.120 39.034 39.000 -0.142 0.000 1.040 528 F HN 0.079 nan 8.300 nan 0.000 0.562 529 W N 3.454 124.808 121.300 0.089 0.000 2.435 529 W HA -0.167 4.158 4.660 -0.558 0.000 0.337 529 W C 1.290 177.877 176.519 0.113 0.000 1.300 529 W CA -0.289 57.111 57.345 0.092 0.000 1.298 529 W CB 0.357 29.756 29.460 -0.102 0.000 1.217 529 W HN 0.513 nan 8.180 nan 0.000 0.565 530 W N 4.979 126.006 121.300 -0.454 0.000 2.308 530 W HA -0.252 4.078 4.660 -0.549 0.000 0.301 530 W C 1.122 177.660 176.519 0.030 0.000 1.220 530 W CA 1.743 59.065 57.345 -0.039 0.000 1.240 530 W CB -1.009 28.341 29.460 -0.183 0.000 1.142 530 W HN 0.475 nan 8.180 nan 0.000 0.521 531 E N 0.823 120.334 120.200 -1.148 0.000 2.208 531 E HA -0.174 3.846 4.350 -0.549 0.000 0.193 531 E C 0.517 177.105 176.600 -0.019 0.000 0.988 531 E CA 0.261 56.190 56.400 -0.786 0.000 0.828 531 E CB -0.398 28.818 29.700 -0.808 0.000 0.763 531 E HN 0.097 nan 8.360 nan 0.000 0.478 532 N N 2.134 120.972 118.700 0.229 0.000 2.411 532 N HA -0.026 4.384 4.740 -0.549 0.000 0.265 532 N C -2.645 172.923 175.510 0.097 0.000 1.266 532 N CA -1.045 52.187 53.050 0.303 0.000 0.889 532 N CB 0.589 39.246 38.487 0.283 0.000 1.069 532 N HN -0.239 nan 8.380 nan 0.000 0.476 533 P HA 0.077 nan 4.420 nan 0.000 0.262 533 P C 0.793 178.077 177.300 -0.027 0.000 1.182 533 P CA 0.752 63.861 63.100 0.014 0.000 0.761 533 P CB 0.538 32.241 31.700 0.004 0.000 0.795 534 G N 1.039 109.813 108.800 -0.043 0.000 2.493 534 G HA2 -0.297 3.334 3.960 -0.549 0.000 0.206 534 G HA3 -0.297 3.334 3.960 -0.549 0.000 0.206 534 G C 1.042 175.854 174.900 -0.146 0.000 1.109 534 G CA 0.152 45.195 45.100 -0.095 0.000 0.689 534 G HN 0.364 nan 8.290 nan 0.000 0.516 535 V N 0.697 120.507 119.914 -0.172 0.000 2.237 535 V HA 0.186 3.976 4.120 -0.549 0.000 0.245 535 V C 1.404 177.274 176.094 -0.373 0.000 1.046 535 V CA 2.107 64.235 62.300 -0.286 0.000 1.007 535 V CB -0.501 31.184 31.823 -0.231 0.000 0.638 535 V HN 0.303 nan 8.190 nan 0.000 0.445 536 F N -0.234 119.724 119.950 0.012 0.000 2.492 536 F HA 0.466 4.663 4.527 -0.551 0.000 0.327 536 F C 0.762 176.528 175.800 -0.057 0.000 1.079 536 F CA -0.821 57.175 58.000 -0.007 0.000 0.967 536 F CB 1.409 40.457 39.000 0.079 0.000 1.169 536 F HN -0.020 nan 8.300 nan 0.000 0.472 537 T N -1.705 112.895 114.554 0.077 0.000 2.898 537 T HA 0.079 4.100 4.350 -0.549 0.000 0.301 537 T C 1.045 175.753 174.700 0.013 0.000 1.049 537 T CA -0.510 61.588 62.100 -0.004 0.000 1.095 537 T CB 1.218 70.043 68.868 -0.073 0.000 0.976 537 T HN 0.843 nan 8.240 nan 0.000 0.539 538 E N 1.084 121.290 120.200 0.009 0.000 2.114 538 E HA -0.243 3.778 4.350 -0.549 0.000 0.199 538 E C 1.912 178.525 176.600 0.020 0.000 1.008 538 E CA 1.455 57.868 56.400 0.022 0.000 0.810 538 E CB -0.025 29.683 29.700 0.014 0.000 0.739 538 E HN 0.671 nan 8.360 nan 0.000 0.456 539 K N -0.058 120.337 120.400 -0.008 0.000 2.057 539 K HA -0.143 3.847 4.320 -0.549 0.000 0.206 539 K C 2.345 178.927 176.600 -0.029 0.000 1.050 539 K CA 1.146 57.427 56.287 -0.009 0.000 0.935 539 K CB -0.096 32.393 32.500 -0.019 0.000 0.715 539 K HN 0.214 nan 8.250 nan 0.000 0.439 540 Q N 0.279 119.996 119.800 -0.138 0.000 2.135 540 Q HA -0.144 3.866 4.340 -0.549 0.000 0.204 540 Q C 2.098 178.077 176.000 -0.035 0.000 0.981 540 Q CA 1.334 56.957 55.803 -0.300 0.000 0.856 540 Q CB -0.016 28.357 28.738 -0.609 0.000 0.902 540 Q HN 0.217 nan 8.270 nan 0.000 0.425 541 R N 0.400 120.933 120.500 0.055 0.000 2.096 541 R HA -0.124 3.887 4.340 -0.549 0.000 0.235 541 R C 1.592 178.007 176.300 0.192 0.000 1.127 541 R CA 1.239 57.451 56.100 0.187 0.000 0.968 541 R CB -0.066 30.368 30.300 0.224 0.000 0.861 541 R HN 0.341 nan 8.270 nan 0.000 0.440 542 D N -0.065 120.411 120.400 0.127 0.000 2.144 542 D HA -0.081 4.230 4.640 -0.549 0.000 0.199 542 D C 1.740 178.100 176.300 0.099 0.000 0.984 542 D CA 1.230 55.298 54.000 0.112 0.000 0.834 542 D CB 0.022 40.871 40.800 0.082 0.000 0.955 542 D HN 0.076 nan 8.370 nan 0.000 0.465 543 S N 0.354 116.123 115.700 0.115 0.000 2.395 543 S HA 0.024 4.165 4.470 -0.549 0.000 0.225 543 S C 2.178 176.814 174.600 0.060 0.000 1.027 543 S CA 0.165 58.434 58.200 0.114 0.000 0.965 543 S CB 0.033 63.359 63.200 0.210 0.000 0.812 543 S HN 0.215 nan 8.310 nan 0.000 0.482 544 L N 1.345 122.592 121.223 0.040 0.000 2.275 544 L HA -0.093 3.918 4.340 -0.549 0.000 0.215 544 L C 2.466 179.207 176.870 -0.216 0.000 1.119 544 L CA 0.916 55.680 54.840 -0.128 0.000 0.790 544 L CB -0.417 41.483 42.059 -0.264 0.000 0.919 544 L HN 0.338 nan 8.230 nan 0.000 0.443 545 Q N -0.397 119.363 119.800 -0.067 0.000 2.291 545 Q HA -0.148 3.863 4.340 -0.549 0.000 0.205 545 Q C 1.676 177.651 176.000 -0.041 0.000 0.970 545 Q CA 0.848 56.634 55.803 -0.028 0.000 0.876 545 Q CB 0.173 28.978 28.738 0.112 0.000 0.935 545 Q HN 0.230 nan 8.270 nan 0.000 0.455 546 K N 0.275 120.655 120.400 -0.033 0.000 2.426 546 K HA 0.047 4.038 4.320 -0.549 0.000 0.193 546 K C 0.573 177.146 176.600 -0.045 0.000 1.028 546 K CA 0.123 56.397 56.287 -0.022 0.000 1.047 546 K CB -0.143 32.358 32.500 0.001 0.000 0.821 546 K HN 0.166 nan 8.250 nan 0.000 0.513 547 V N 0.759 120.623 119.914 -0.084 0.000 2.872 547 V HA 0.230 4.021 4.120 -0.549 0.000 0.307 547 V C 0.203 176.228 176.094 -0.115 0.000 1.072 547 V CA -0.635 61.618 62.300 -0.078 0.000 1.148 547 V CB 0.779 32.538 31.823 -0.107 0.000 0.954 547 V HN 0.259 nan 8.190 nan 0.000 0.490 548 S N 2.705 118.370 115.700 -0.057 0.000 2.564 548 S HA 0.560 4.701 4.470 -0.549 0.000 0.274 548 S C -0.137 174.477 174.600 0.023 0.000 1.124 548 S CA -0.492 57.676 58.200 -0.053 0.000 0.869 548 S CB 1.447 64.627 63.200 -0.035 0.000 1.105 548 S HN 0.806 nan 8.310 nan 0.000 0.472 549 F N 2.318 122.186 119.950 -0.138 0.000 2.202 549 F HA -0.072 4.130 4.527 -0.541 0.000 0.301 549 F C 2.369 178.132 175.800 -0.062 0.000 1.082 549 F CA 1.977 59.928 58.000 -0.081 0.000 1.313 549 F CB -0.409 38.408 39.000 -0.304 0.000 1.024 549 F HN 0.663 nan 8.300 nan 0.000 0.495 550 S N -0.004 115.697 115.700 0.002 0.000 2.370 550 S HA -0.261 3.880 4.470 -0.549 0.000 0.226 550 S C 1.975 176.516 174.600 -0.097 0.000 1.033 550 S CA 1.488 59.652 58.200 -0.060 0.000 1.011 550 S CB -0.386 62.769 63.200 -0.076 0.000 0.852 550 S HN 0.281 nan 8.310 nan 0.000 0.457 551 R N 1.061 121.519 120.500 -0.071 0.000 2.115 551 R HA 0.107 4.117 4.340 -0.549 0.000 0.230 551 R C 2.078 178.305 176.300 -0.121 0.000 1.111 551 R CA 0.709 56.766 56.100 -0.071 0.000 0.976 551 R CB -0.735 29.548 30.300 -0.028 0.000 0.870 551 R HN 0.384 nan 8.270 nan 0.000 0.445 552 L N -0.049 121.076 121.223 -0.164 0.000 2.083 552 L HA -0.069 3.942 4.340 -0.549 0.000 0.209 552 L C 1.856 178.518 176.870 -0.347 0.000 1.083 552 L CA 1.649 56.298 54.840 -0.319 0.000 0.752 552 L CB -0.176 41.602 42.059 -0.469 0.000 0.899 552 L HN 0.240 nan 8.230 nan 0.000 0.433 553 I N -1.913 118.448 120.570 -0.349 0.000 2.233 553 I HA -0.323 3.518 4.170 -0.549 0.000 0.243 553 I C 2.479 178.501 176.117 -0.157 0.000 1.093 553 I CA 1.070 62.227 61.300 -0.239 0.000 1.380 553 I CB -0.426 37.481 38.000 -0.155 0.000 1.067 553 I HN 0.345 nan 8.210 nan 0.000 0.413 554 c N 0.890 119.414 118.600 -0.126 0.000 2.413 554 c HA -0.187 4.054 4.570 -0.549 0.000 0.276 554 c C 2.269 176.287 174.090 -0.119 0.000 1.236 554 c CA 1.013 57.286 56.329 -0.093 0.000 1.735 554 c CB -0.980 41.489 42.510 -0.068 0.000 2.031 554 c HN 0.521 nan 8.230 nan 0.000 0.474 555 D N 0.221 120.538 120.400 -0.138 0.000 2.347 555 D HA -0.018 4.293 4.640 -0.549 0.000 0.215 555 D C 0.976 177.172 176.300 -0.173 0.000 0.976 555 D CA 0.835 54.749 54.000 -0.143 0.000 0.884 555 D CB -0.420 40.295 40.800 -0.142 0.000 0.915 555 D HN 0.551 nan 8.370 nan 0.000 0.526 556 N N -0.227 118.355 118.700 -0.196 0.000 2.305 556 N HA 0.080 4.491 4.740 -0.549 0.000 0.248 556 N C -0.484 174.889 175.510 -0.229 0.000 1.290 556 N CA 0.119 53.045 53.050 -0.208 0.000 0.873 556 N CB 1.670 40.035 38.487 -0.203 0.000 1.261 556 N HN -0.027 nan 8.380 nan 0.000 0.504 557 T N -1.665 112.730 114.554 -0.266 0.000 2.762 557 T HA 0.299 4.320 4.350 -0.549 0.000 0.301 557 T C -0.407 174.056 174.700 -0.395 0.000 1.299 557 T CA -0.470 61.464 62.100 -0.276 0.000 1.005 557 T CB 1.457 70.242 68.868 -0.139 0.000 1.377 557 T HN 0.056 nan 8.240 nan 0.000 0.504 558 H N -0.123 118.921 119.070 -0.043 0.000 2.503 558 H HA 0.369 4.596 4.556 -0.548 0.000 0.296 558 H C -0.008 175.288 175.328 -0.052 0.000 1.097 558 H CA -0.413 55.603 56.048 -0.053 0.000 1.055 558 H CB -0.057 29.656 29.762 -0.081 0.000 1.580 558 H HN 0.197 nan 8.280 nan 0.000 0.546 559 I N 1.537 122.119 120.570 0.020 0.000 2.441 559 I HA 0.040 3.881 4.170 -0.549 0.000 0.287 559 I C 1.483 177.641 176.117 0.069 0.000 1.049 559 I CA 0.079 61.404 61.300 0.041 0.000 1.381 559 I CB 1.179 39.212 38.000 0.056 0.000 1.409 559 I HN 0.306 nan 8.210 nan 0.000 0.523 560 T N 1.666 116.287 114.554 0.112 0.000 2.955 560 T HA 0.206 4.227 4.350 -0.549 0.000 0.251 560 T C 0.649 175.448 174.700 0.164 0.000 1.002 560 T CA -0.158 62.007 62.100 0.109 0.000 0.970 560 T CB 0.423 69.345 68.868 0.091 0.000 1.091 560 T HN 0.346 nan 8.240 nan 0.000 0.495 561 K N 3.009 123.576 120.400 0.279 0.000 2.263 561 K HA 0.629 4.620 4.320 -0.549 0.000 0.272 561 K C -0.568 176.354 176.600 0.537 0.000 1.033 561 K CA -0.487 56.045 56.287 0.408 0.000 0.884 561 K CB 2.062 34.879 32.500 0.529 0.000 1.107 561 K HN 0.381 nan 8.250 nan 0.000 0.460 562 V N 0.069 120.167 119.914 0.306 0.000 2.925 562 V HA 0.636 4.427 4.120 -0.549 0.000 0.311 562 V C -2.738 173.153 176.094 -0.337 0.000 1.104 562 V CA -2.612 59.723 62.300 0.059 0.000 0.954 562 V CB 2.199 34.032 31.823 0.016 0.000 1.022 562 V HN 0.467 nan 8.190 nan 0.000 0.427 563 P HA 0.431 nan 4.420 nan 0.000 0.279 563 P C 0.698 177.783 177.300 -0.358 0.000 1.252 563 P CA -0.477 62.233 63.100 -0.650 0.000 0.811 563 P CB 1.878 33.125 31.700 -0.755 0.000 1.035 564 L N 0.882 121.895 121.223 -0.350 0.000 1.988 564 L HA -0.072 3.939 4.340 -0.549 0.000 0.207 564 L C 1.227 177.844 176.870 -0.421 0.000 1.071 564 L CA 1.309 55.898 54.840 -0.419 0.000 0.744 564 L CB -0.792 40.909 42.059 -0.597 0.000 0.893 564 L HN 0.436 nan 8.230 nan 0.000 0.433 565 H N 0.095 119.111 119.070 -0.090 0.000 2.872 565 H HA 0.274 4.499 4.556 -0.550 0.000 0.273 565 H C 0.692 175.967 175.328 -0.087 0.000 1.205 565 H CA 0.091 56.111 56.048 -0.047 0.000 1.342 565 H CB 1.014 30.769 29.762 -0.013 0.000 1.469 565 H HN 0.166 nan 8.280 nan 0.000 0.487 566 A N 2.585 125.361 122.820 -0.073 0.000 2.206 566 A HA 0.009 4.000 4.320 -0.549 0.000 0.211 566 A C 0.992 178.356 177.584 -0.367 0.000 1.158 566 A CA 0.367 52.249 52.037 -0.258 0.000 0.761 566 A CB -0.327 18.474 19.000 -0.333 0.000 0.801 566 A HN 0.416 nan 8.150 nan 0.000 0.473 567 F N -0.018 119.953 119.950 0.035 0.000 2.731 567 F HA 0.149 4.342 4.527 -0.557 0.000 0.298 567 F C 1.345 177.163 175.800 0.030 0.000 1.106 567 F CA 0.021 58.061 58.000 0.067 0.000 1.329 567 F CB 0.174 39.236 39.000 0.105 0.000 1.100 567 F HN 0.385 nan 8.300 nan 0.000 0.592 568 Q N 0.866 120.752 119.800 0.143 0.000 2.193 568 Q HA 0.700 4.711 4.340 -0.549 0.000 0.246 568 Q C -0.370 175.662 176.000 0.053 0.000 0.959 568 Q CA -1.053 54.787 55.803 0.061 0.000 0.904 568 Q CB 1.677 30.436 28.738 0.035 0.000 1.238 568 Q HN 0.055 nan 8.270 nan 0.000 0.469 569 A N 2.457 125.302 122.820 0.041 0.000 2.438 569 A HA 0.243 4.234 4.320 -0.549 0.000 0.280 569 A C -0.897 176.730 177.584 0.072 0.000 1.160 569 A CA -0.332 51.742 52.037 0.063 0.000 0.821 569 A CB -0.789 18.243 19.000 0.053 0.000 1.101 569 A HN 0.795 nan 8.150 nan 0.000 0.515 570 N N 2.262 121.022 118.700 0.101 0.000 2.321 570 N HA 0.437 4.848 4.740 -0.549 0.000 0.299 570 N C -1.133 174.545 175.510 0.279 0.000 1.048 570 N CA -0.773 52.357 53.050 0.134 0.000 0.836 570 N CB 1.371 39.846 38.487 -0.019 0.000 1.269 570 N HN 0.627 nan 8.380 nan 0.000 0.486 571 N N 0.739 119.600 118.700 0.268 0.000 2.417 571 N HA 0.248 4.659 4.740 -0.549 0.000 0.300 571 N C -1.482 174.191 175.510 0.272 0.000 1.102 571 N CA -0.429 52.766 53.050 0.241 0.000 0.886 571 N CB 0.933 39.500 38.487 0.133 0.000 1.203 571 N HN 0.479 nan 8.380 nan 0.000 0.496 572 Y N 2.268 122.524 120.300 -0.073 0.000 2.308 572 Y HA 0.387 4.607 4.550 -0.549 0.000 0.329 572 Y C -1.220 174.632 175.900 -0.079 0.000 1.111 572 Y CA -1.303 56.630 58.100 -0.278 0.000 1.179 572 Y CB 1.123 39.203 38.460 -0.633 0.000 1.201 572 Y HN 0.543 nan 8.280 nan 0.000 0.483 573 P HA 0.044 nan 4.420 nan 0.000 0.259 573 P C 0.933 178.063 177.300 -0.284 0.000 1.233 573 P CA 0.823 63.309 63.100 -1.024 0.000 0.827 573 P CB 0.234 31.317 31.700 -1.028 0.000 1.154 574 H N 1.240 120.220 119.070 -0.150 0.000 2.319 574 H HA -0.123 4.103 4.556 -0.549 0.000 0.297 574 H C 1.051 176.387 175.328 0.013 0.000 1.097 574 H CA 2.181 58.197 56.048 -0.053 0.000 1.285 574 H CB -0.011 29.735 29.762 -0.027 0.000 1.368 574 H HN -0.068 nan 8.280 nan 0.000 0.495 575 D N -0.573 119.974 120.400 0.245 0.000 2.355 575 D HA -0.008 4.303 4.640 -0.549 0.000 0.218 575 D C -0.476 175.822 176.300 -0.004 0.000 1.004 575 D CA 0.325 54.411 54.000 0.143 0.000 0.880 575 D CB -0.039 40.845 40.800 0.139 0.000 0.911 575 D HN 0.200 nan 8.370 nan 0.000 0.528 576 F N 0.617 120.509 119.950 -0.097 0.000 2.399 576 F HA 0.319 4.516 4.527 -0.550 0.000 0.334 576 F C 0.768 176.513 175.800 -0.092 0.000 1.097 576 F CA -1.145 56.807 58.000 -0.080 0.000 1.076 576 F CB 1.331 40.308 39.000 -0.039 0.000 1.162 576 F HN -0.314 nan 8.300 nan 0.000 0.495 577 V N -1.287 118.666 119.914 0.065 0.000 3.158 577 V HA 0.569 4.359 4.120 -0.549 0.000 0.311 577 V C -0.657 175.470 176.094 0.056 0.000 1.181 577 V CA -1.063 61.248 62.300 0.019 0.000 1.054 577 V CB 1.756 33.551 31.823 -0.047 0.000 1.085 577 V HN 0.578 nan 8.190 nan 0.000 0.446 578 D N -0.370 120.049 120.400 0.032 0.000 2.362 578 D HA 0.165 4.475 4.640 -0.549 0.000 0.242 578 D C 1.084 177.395 176.300 0.017 0.000 1.132 578 D CA 0.117 54.141 54.000 0.039 0.000 0.907 578 D CB 1.746 42.560 40.800 0.023 0.000 1.195 578 D HN 0.742 nan 8.370 nan 0.000 0.429 579 c N 1.237 119.851 118.600 0.023 0.000 2.410 579 c HA -0.152 4.089 4.570 -0.549 0.000 0.281 579 c C 2.659 176.740 174.090 -0.015 0.000 1.318 579 c CA 1.377 57.706 56.329 -0.000 0.000 1.776 579 c CB -1.243 41.267 42.510 -0.000 0.000 1.942 579 c HN 0.712 nan 8.230 nan 0.000 0.508 580 S N 1.213 116.907 115.700 -0.009 0.000 2.442 580 S HA -0.062 4.079 4.470 -0.549 0.000 0.236 580 S C 1.817 176.404 174.600 -0.020 0.000 1.007 580 S CA 1.210 59.401 58.200 -0.014 0.000 0.965 580 S CB -0.391 62.804 63.200 -0.008 0.000 0.773 580 S HN 0.666 nan 8.310 nan 0.000 0.504 581 A N 0.994 123.799 122.820 -0.025 0.000 2.119 581 A HA 0.397 4.388 4.320 -0.549 0.000 0.216 581 A C 0.879 178.436 177.584 -0.045 0.000 1.152 581 A CA 0.166 52.182 52.037 -0.035 0.000 0.708 581 A CB -0.294 18.680 19.000 -0.043 0.000 0.805 581 A HN 0.381 nan 8.150 nan 0.000 0.460 582 V N 2.440 122.327 119.914 -0.046 0.000 2.432 582 V HA 0.134 3.925 4.120 -0.549 0.000 0.271 582 V C -0.788 175.282 176.094 -0.041 0.000 1.046 582 V CA -1.077 61.191 62.300 -0.054 0.000 0.945 582 V CB 0.881 32.668 31.823 -0.060 0.000 0.992 582 V HN 0.341 nan 8.190 nan 0.000 0.471 583 D N 4.506 124.884 120.400 -0.037 0.000 2.493 583 D HA 0.091 4.402 4.640 -0.549 0.000 0.240 583 D C 0.236 176.521 176.300 -0.025 0.000 1.142 583 D CA 0.457 54.442 54.000 -0.025 0.000 0.872 583 D CB 0.614 41.404 40.800 -0.017 0.000 1.173 583 D HN 0.433 nan 8.370 nan 0.000 0.467 584 K N 0.898 121.284 120.400 -0.022 0.000 2.154 584 K HA 0.256 4.247 4.320 -0.549 0.000 0.264 584 K C -0.104 176.483 176.600 -0.021 0.000 1.008 584 K CA -0.930 55.340 56.287 -0.027 0.000 0.937 584 K CB 0.924 33.407 32.500 -0.029 0.000 1.002 584 K HN 0.231 nan 8.250 nan 0.000 0.469 585 L N 3.279 124.481 121.223 -0.034 0.000 2.295 585 L HA 0.110 4.120 4.340 -0.549 0.000 0.288 585 L C -0.539 176.307 176.870 -0.040 0.000 1.079 585 L CA 0.056 54.874 54.840 -0.037 0.000 0.830 585 L CB 0.196 42.216 42.059 -0.064 0.000 1.200 585 L HN 0.404 nan 8.230 nan 0.000 0.438 586 D N 4.551 124.957 120.400 0.010 0.000 2.339 586 D HA 0.088 4.399 4.640 -0.549 0.000 0.256 586 D C 0.567 176.917 176.300 0.083 0.000 1.214 586 D CA 0.170 54.192 54.000 0.037 0.000 0.877 586 D CB 0.872 41.712 40.800 0.065 0.000 1.111 586 D HN 0.665 nan 8.370 nan 0.000 0.478 587 L N 3.069 124.304 121.223 0.020 0.000 2.653 587 L HA -0.001 4.009 4.340 -0.549 0.000 0.231 587 L C 2.260 179.277 176.870 0.245 0.000 1.153 587 L CA -0.111 54.740 54.840 0.018 0.000 0.933 587 L CB -0.085 41.838 42.059 -0.226 0.000 1.175 587 L HN 0.361 nan 8.230 nan 0.000 0.473 588 S N 0.520 116.339 115.700 0.198 0.000 2.365 588 S HA -0.104 4.037 4.470 -0.549 0.000 0.225 588 S C -0.478 174.253 174.600 0.219 0.000 1.039 588 S CA 0.985 59.282 58.200 0.161 0.000 1.033 588 S CB -1.696 61.563 63.200 0.098 0.000 0.887 588 S HN 0.238 nan 8.310 nan 0.000 0.447 589 P HA -0.025 nan 4.420 nan 0.000 0.228 589 P C 0.806 178.153 177.300 0.078 0.000 1.151 589 P CA 0.771 63.938 63.100 0.111 0.000 0.770 589 P CB -0.293 31.397 31.700 -0.016 0.000 0.786 590 W N -0.202 121.144 121.300 0.077 0.000 3.047 590 W HA 0.267 4.598 4.660 -0.549 0.000 0.250 590 W C 0.548 177.079 176.519 0.019 0.000 1.314 590 W CA -0.194 57.224 57.345 0.121 0.000 1.540 590 W CB -0.134 29.412 29.460 0.143 0.000 1.127 590 W HN -0.109 nan 8.180 nan 0.000 0.679 591 A N 1.672 124.582 122.820 0.151 0.000 2.545 591 A HA 0.219 4.210 4.320 -0.549 0.000 0.297 591 A C 0.413 178.018 177.584 0.035 0.000 1.340 591 A CA 0.534 52.573 52.037 0.004 0.000 1.016 591 A CB -0.110 18.895 19.000 0.008 0.000 1.122 591 A HN -0.043 nan 8.150 nan 0.000 0.537 592 S N 2.141 117.864 115.700 0.038 0.000 2.601 592 S HA 0.584 4.724 4.470 -0.549 0.000 0.271 592 S C 0.496 175.186 174.600 0.151 0.000 1.305 592 S CA -0.413 57.886 58.200 0.165 0.000 1.022 592 S CB 0.421 63.848 63.200 0.377 0.000 0.940 592 S HN 0.786 nan 8.310 nan 0.000 0.525 593 R N 1.094 121.663 120.500 0.115 0.000 2.930 593 R HA 0.488 4.499 4.340 -0.549 0.000 0.257 593 R C 0.282 176.586 176.300 0.007 0.000 1.107 593 R CA -0.917 55.208 56.100 0.042 0.000 0.999 593 R CB 0.769 31.084 30.300 0.025 0.000 1.209 593 R HN 0.535 nan 8.270 nan 0.000 0.486 594 E N 0.695 120.868 120.200 -0.045 0.000 2.205 594 E HA 0.142 4.163 4.350 -0.549 0.000 0.219 594 E C 0.117 176.703 176.600 -0.023 0.000 0.948 594 E CA 0.332 56.697 56.400 -0.059 0.000 0.993 594 E CB -0.422 29.211 29.700 -0.112 0.000 1.441 594 E HN 0.386 nan 8.360 nan 0.000 0.511 595 N N 0.000 118.686 118.700 -0.024 0.000 1.763 595 N HA 0.000 4.411 4.740 -0.549 0.000 0.220 595 N CA 0.000 53.043 53.050 -0.012 0.000 0.885 595 N CB 0.000 38.479 38.487 -0.013 0.000 1.341 595 N HN 0.000 nan 8.380 nan 0.000 0.667