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 1pge_1_B DATA FIRST_RESID 33 DATA SEQUENCE VNPccYYPcQ HQGIcVRFGL DRYQcDcTRT GYSGPNcTIP EIWTWLRTTL DATA SEQUENCE RPSPSFIHFL LTHGRWLWDF VNATFIRDTL MRLVLTVRSN LIPSPPTYNI DATA SEQUENCE AHDYISWESF SNVSYYTRIL PSVPRDcPTP MGTKGKKQLP DAEFLSRRFL DATA SEQUENCE LRRKFIPDPQ GTNLMFAFFA QHFTHQFFKT SGKMGPGFTK ALGHGVDLGH DATA SEQUENCE IYGDNLERQY QLRLFKDGKL KYQMLNGEVY PPSVEEAPVL MHYPRGIPPQ DATA SEQUENCE SQMAVGQEVF GLLPGLMLYA TIWLREHNRV CDLLKAEHPT WGDEQLFQTA DATA SEQUENCE RLILIGETIK IVIEEYVQQL SGYFLQLKFD PELLFGAQFQ YRNRIAMEFN DATA SEQUENCE QLYHWHPLMP DSFRVGPQDY SYEQFLFNTS MLVDYGVEAL VDAFSRQPAG DATA SEQUENCE RIGGGRNIDH HILHVAVDVI KESRVLRLQP FNEYRKRFGM KPYTSFQELT DATA SEQUENCE GEKEMAAELE ELYGDIDALE FYPGLLLEKC HPNSIFGESM IEMGAPFSLK DATA SEQUENCE GLLGNPICSP EYWKASTFGG EVGFNLVKTA TLKKLVcLNT KTcPYVSFHV DATA SEQUENCE P VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 33 V HA 0.000 nan 4.120 nan 0.000 0.244 33 V C 0.000 176.126 176.094 0.054 0.000 1.182 33 V CA 0.000 62.328 62.300 0.046 0.000 1.235 33 V CB 0.000 31.855 31.823 0.054 0.000 1.184 34 N N 4.406 123.099 118.700 -0.012 0.000 2.427 34 N HA 0.279 5.019 4.740 -0.000 0.000 0.269 34 N C -1.066 174.448 175.510 0.007 0.000 1.235 34 N CA -1.086 51.961 53.050 -0.004 0.000 0.934 34 N CB 1.604 40.063 38.487 -0.047 0.000 1.121 34 N HN 0.698 nan 8.380 nan 0.000 0.480 35 P HA -0.146 nan 4.420 nan 0.000 0.216 35 P C 1.084 178.365 177.300 -0.031 0.000 1.150 35 P CA 1.101 64.312 63.100 0.186 0.000 0.843 35 P CB 0.089 31.969 31.700 0.301 0.000 0.787 36 c N -0.847 117.694 118.600 -0.098 0.000 2.422 36 c HA -0.062 4.508 4.570 -0.000 0.000 0.286 36 c C 3.035 177.004 174.090 -0.201 0.000 1.412 36 c CA 0.441 56.679 56.329 -0.152 0.000 1.786 36 c CB -2.250 40.223 42.510 -0.062 0.000 1.835 36 c HN 0.364 nan 8.230 nan 0.000 0.533 37 c N -0.817 117.596 118.600 -0.312 0.000 2.432 37 c HA -0.110 4.460 4.570 -0.000 0.000 0.280 37 c C 2.117 175.657 174.090 -0.916 0.000 1.353 37 c CA 0.643 56.611 56.329 -0.602 0.000 1.766 37 c CB -1.554 40.608 42.510 -0.581 0.000 1.924 37 c HN 0.675 nan 8.230 nan 0.000 0.509 38 Y N -1.175 118.872 120.300 -0.422 0.000 2.632 38 Y HA 0.044 4.594 4.550 -0.000 0.000 0.301 38 Y C 0.643 176.386 175.900 -0.262 0.000 1.172 38 Y CA 0.265 58.164 58.100 -0.334 0.000 1.328 38 Y CB -0.974 37.373 38.460 -0.189 0.000 1.016 38 Y HN 0.290 nan 8.280 nan 0.000 0.529 39 Y N -1.523 118.741 120.300 -0.060 0.000 3.078 39 Y HA -0.226 4.324 4.550 -0.000 0.000 0.202 39 Y C -1.280 174.558 175.900 -0.102 0.000 1.322 39 Y CA -0.406 57.636 58.100 -0.097 0.000 1.118 39 Y CB -2.137 36.270 38.460 -0.087 0.000 1.343 39 Y HN 0.241 nan 8.280 nan 0.000 0.499 40 P HA -0.100 nan 4.420 nan 0.000 0.220 40 P C 0.320 177.609 177.300 -0.018 0.000 1.148 40 P CA 1.203 64.244 63.100 -0.099 0.000 0.803 40 P CB 0.093 31.538 31.700 -0.425 0.000 0.782 41 c N 3.140 121.729 118.600 -0.018 0.000 2.289 41 c HA 0.304 4.874 4.570 -0.000 0.000 0.340 41 c C 1.019 175.082 174.090 -0.045 0.000 1.152 41 c CA -0.875 55.463 56.329 0.016 0.000 1.650 41 c CB -1.257 41.282 42.510 0.048 0.000 2.203 41 c HN 0.273 nan 8.230 nan 0.000 0.511 42 Q N 0.590 120.342 119.800 -0.079 0.000 2.471 42 Q HA 0.100 4.440 4.340 -0.000 0.000 0.223 42 Q C 0.531 176.380 176.000 -0.252 0.000 1.045 42 Q CA 0.115 55.759 55.803 -0.265 0.000 0.956 42 Q CB 0.163 28.691 28.738 -0.351 0.000 1.249 42 Q HN 0.907 nan 8.270 nan 0.000 0.549 43 H N 0.585 119.497 119.070 -0.264 0.000 2.527 43 H HA -0.227 4.329 4.556 -0.000 0.000 0.321 43 H C -0.085 175.166 175.328 -0.129 0.000 1.092 43 H CA 0.856 56.734 56.048 -0.282 0.000 1.118 43 H CB -1.758 27.621 29.762 -0.640 0.000 1.536 43 H HN 0.615 nan 8.280 nan 0.000 0.407 44 Q N -3.399 116.363 119.800 -0.062 0.000 2.416 44 Q HA -0.177 4.163 4.340 -0.000 0.000 0.235 44 Q C 1.086 177.096 176.000 0.018 0.000 0.773 44 Q CA 0.874 56.658 55.803 -0.033 0.000 1.286 44 Q CB -1.509 27.215 28.738 -0.023 0.000 1.556 44 Q HN 0.810 nan 8.270 nan 0.000 0.650 45 G N 0.396 109.213 108.800 0.028 0.000 2.594 45 G HA2 0.401 4.361 3.960 -0.000 0.000 0.243 45 G HA3 0.401 4.361 3.960 -0.000 0.000 0.243 45 G C -0.237 174.703 174.900 0.066 0.000 1.229 45 G CA -0.405 44.735 45.100 0.067 0.000 0.843 45 G HN 0.082 nan 8.290 nan 0.000 0.578 46 I N 0.093 120.721 120.570 0.096 0.000 2.359 46 I HA 0.214 4.384 4.170 -0.000 0.000 0.294 46 I C 0.206 176.394 176.117 0.119 0.000 0.987 46 I CA -0.708 60.655 61.300 0.105 0.000 1.225 46 I CB 1.633 39.711 38.000 0.130 0.000 1.366 46 I HN 0.415 nan 8.210 nan 0.000 0.466 47 c N 7.923 126.576 118.600 0.088 0.000 2.227 47 c HA 0.539 5.109 4.570 -0.000 0.000 0.333 47 c C 0.010 174.181 174.090 0.134 0.000 1.145 47 c CA -0.446 55.947 56.329 0.107 0.000 1.643 47 c CB -1.240 41.278 42.510 0.013 0.000 2.185 47 c HN 0.473 nan 8.230 nan 0.000 0.497 48 V N 7.537 127.595 119.914 0.239 0.000 2.394 48 V HA 0.410 4.530 4.120 -0.000 0.000 0.282 48 V C 0.393 176.660 176.094 0.287 0.000 1.031 48 V CA -0.536 61.889 62.300 0.207 0.000 0.881 48 V CB 1.259 33.265 31.823 0.305 0.000 0.982 48 V HN 0.816 nan 8.190 nan 0.000 0.451 49 R N 3.168 123.707 120.500 0.065 0.000 2.582 49 R HA 0.594 4.934 4.340 -0.000 0.000 0.271 49 R C -1.333 174.928 176.300 -0.065 0.000 1.078 49 R CA 0.211 56.376 56.100 0.108 0.000 1.127 49 R CB 0.527 30.831 30.300 0.006 0.000 1.038 49 R HN 0.519 nan 8.270 nan 0.000 0.500 50 F N 0.937 120.918 119.950 0.052 0.000 2.645 50 F HA 0.489 5.016 4.527 -0.000 0.000 0.310 50 F C 0.863 176.673 175.800 0.017 0.000 1.102 50 F CA 0.154 58.166 58.000 0.020 0.000 0.952 50 F CB 1.907 40.911 39.000 0.008 0.000 1.326 50 F HN 0.792 nan 8.300 nan 0.000 0.456 51 G N 0.866 109.781 108.800 0.193 0.000 2.578 51 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.284 51 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.284 51 G C -0.188 174.755 174.900 0.071 0.000 1.283 51 G CA 0.410 45.575 45.100 0.108 0.000 0.944 51 G HN 0.770 nan 8.290 nan 0.000 0.558 52 L N 1.148 122.407 121.223 0.059 0.000 2.808 52 L HA 0.379 4.719 4.340 -0.000 0.000 0.246 52 L C 1.225 178.132 176.870 0.061 0.000 1.153 52 L CA 1.233 56.101 54.840 0.047 0.000 0.956 52 L CB 0.396 42.474 42.059 0.032 0.000 1.270 52 L HN 0.734 nan 8.230 nan 0.000 0.528 53 D N -2.426 118.023 120.400 0.081 0.000 2.475 53 D HA 0.072 4.712 4.640 -0.000 0.000 0.306 53 D C 0.657 177.031 176.300 0.122 0.000 1.304 53 D CA -0.184 53.872 54.000 0.093 0.000 0.862 53 D CB 0.760 41.600 40.800 0.066 0.000 1.306 53 D HN 0.152 nan 8.370 nan 0.000 0.494 54 R N -0.127 120.457 120.500 0.141 0.000 2.893 54 R HA 0.669 5.009 4.340 -0.000 0.000 0.245 54 R C -1.084 175.384 176.300 0.280 0.000 1.192 54 R CA -0.773 55.409 56.100 0.136 0.000 1.077 54 R CB 1.404 31.745 30.300 0.068 0.000 1.253 54 R HN 0.109 nan 8.270 nan 0.000 0.505 55 Y N -2.067 118.320 120.300 0.145 0.000 2.641 55 Y HA 0.391 4.941 4.550 -0.000 0.000 0.333 55 Y C -1.902 174.066 175.900 0.114 0.000 1.174 55 Y CA -1.048 57.173 58.100 0.203 0.000 1.057 55 Y CB 1.474 40.017 38.460 0.139 0.000 1.322 55 Y HN 0.414 nan 8.280 nan 0.000 0.457 56 Q N 2.101 122.104 119.800 0.338 0.000 2.331 56 Q HA 0.613 4.953 4.340 -0.000 0.000 0.272 56 Q C -1.620 174.565 176.000 0.309 0.000 1.062 56 Q CA -0.888 54.977 55.803 0.104 0.000 0.806 56 Q CB 2.868 31.501 28.738 -0.175 0.000 1.312 56 Q HN 0.904 nan 8.270 nan 0.000 0.431 57 c N 1.514 120.260 118.600 0.244 0.000 2.388 57 c HA 0.301 4.871 4.570 -0.000 0.000 0.362 57 c C 0.075 174.255 174.090 0.149 0.000 1.266 57 c CA -0.417 56.044 56.329 0.220 0.000 2.028 57 c CB 0.465 43.101 42.510 0.210 0.000 2.440 57 c HN 0.666 nan 8.230 nan 0.000 0.547 58 D N 1.793 122.278 120.400 0.142 0.000 2.396 58 D HA 0.265 4.905 4.640 -0.000 0.000 0.225 58 D C 0.034 176.397 176.300 0.106 0.000 1.121 58 D CA -0.333 53.737 54.000 0.117 0.000 0.853 58 D CB 0.581 41.454 40.800 0.122 0.000 1.043 58 D HN 0.646 nan 8.370 nan 0.000 0.500 59 c N 3.240 121.900 118.600 0.101 0.000 2.492 59 c HA 0.238 4.808 4.570 -0.000 0.000 0.317 59 c C 0.873 175.022 174.090 0.098 0.000 1.347 59 c CA -0.572 55.825 56.329 0.112 0.000 1.759 59 c CB -1.678 40.912 42.510 0.133 0.000 2.127 59 c HN 0.487 nan 8.230 nan 0.000 0.579 60 T N 1.614 116.216 114.554 0.081 0.000 2.908 60 T HA 0.085 4.435 4.350 -0.000 0.000 0.301 60 T C 1.024 175.763 174.700 0.065 0.000 1.019 60 T CA 0.547 62.686 62.100 0.065 0.000 1.152 60 T CB 0.087 68.989 68.868 0.056 0.000 0.966 60 T HN 0.626 nan 8.240 nan 0.000 0.540 61 R N 0.228 120.763 120.500 0.058 0.000 3.847 61 R HA -0.225 4.115 4.340 -0.000 0.000 0.304 61 R C 1.662 178.009 176.300 0.077 0.000 1.203 61 R CA 1.198 57.330 56.100 0.054 0.000 0.835 61 R CB -2.286 28.036 30.300 0.037 0.000 1.253 61 R HN 0.918 nan 8.270 nan 0.000 0.516 62 T N -4.731 109.891 114.554 0.113 0.000 3.014 62 T HA 0.200 4.550 4.350 -0.000 0.000 0.263 62 T C 1.559 176.405 174.700 0.244 0.000 1.078 62 T CA 0.813 63.020 62.100 0.179 0.000 1.135 62 T CB 0.593 69.594 68.868 0.221 0.000 0.895 62 T HN 0.673 nan 8.240 nan 0.000 0.480 63 G N 0.214 109.094 108.800 0.134 0.000 2.157 63 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.239 63 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.239 63 G C -0.224 174.485 174.900 -0.319 0.000 0.982 63 G CA 0.029 45.106 45.100 -0.038 0.000 0.650 63 G HN 0.615 nan 8.290 nan 0.000 0.527 64 Y N 0.311 120.600 120.300 -0.017 0.000 2.605 64 Y HA 0.722 5.272 4.550 -0.000 0.000 0.343 64 Y C 0.583 176.493 175.900 0.016 0.000 1.036 64 Y CA -0.304 57.781 58.100 -0.025 0.000 1.065 64 Y CB 2.166 40.598 38.460 -0.046 0.000 1.288 64 Y HN 0.330 nan 8.280 nan 0.000 0.481 65 S N -0.481 115.316 115.700 0.161 0.000 2.740 65 S HA 0.952 5.422 4.470 -0.000 0.000 0.300 65 S C -0.226 174.442 174.600 0.113 0.000 1.147 65 S CA -0.594 57.667 58.200 0.101 0.000 0.871 65 S CB 1.784 65.009 63.200 0.043 0.000 1.173 65 S HN 1.540 nan 8.310 nan 0.000 0.510 66 G N 0.497 109.341 108.800 0.073 0.000 2.541 66 G HA2 0.074 4.034 3.960 -0.000 0.000 0.686 66 G HA3 0.074 4.034 3.960 -0.000 0.000 0.686 66 G C -2.834 172.104 174.900 0.064 0.000 1.286 66 G CA -0.500 44.640 45.100 0.065 0.000 0.894 66 G HN 0.544 nan 8.290 nan 0.000 0.575 67 P HA 0.071 nan 4.420 nan 0.000 0.223 67 P C 0.947 178.318 177.300 0.118 0.000 1.151 67 P CA 1.233 64.359 63.100 0.044 0.000 0.787 67 P CB 0.125 31.831 31.700 0.010 0.000 0.788 68 N N -2.169 116.607 118.700 0.127 0.000 2.299 68 N HA 0.097 4.837 4.740 -0.000 0.000 0.246 68 N C -0.762 174.822 175.510 0.123 0.000 1.254 68 N CA -0.130 53.007 53.050 0.144 0.000 0.879 68 N CB -0.296 38.267 38.487 0.126 0.000 1.214 68 N HN -0.041 nan 8.380 nan 0.000 0.510 69 c N 0.549 119.237 118.600 0.146 0.000 3.348 69 c HA -0.103 4.467 4.570 -0.000 0.000 0.289 69 c C 1.417 175.653 174.090 0.243 0.000 1.167 69 c CA 0.655 57.102 56.329 0.197 0.000 2.406 69 c CB -2.934 39.675 42.510 0.166 0.000 1.487 69 c HN 0.508 nan 8.230 nan 0.000 0.520 70 T N -2.142 112.573 114.554 0.268 0.000 3.105 70 T HA 0.253 4.603 4.350 -0.000 0.000 0.257 70 T C 0.593 175.528 174.700 0.392 0.000 0.949 70 T CA -0.140 62.145 62.100 0.310 0.000 0.959 70 T CB 0.169 69.155 68.868 0.196 0.000 1.205 70 T HN 0.588 nan 8.240 nan 0.000 0.496 71 I N 5.538 126.252 120.570 0.240 0.000 2.576 71 I HA 0.145 4.315 4.170 -0.000 0.000 0.288 71 I C -2.111 174.048 176.117 0.070 0.000 1.126 71 I CA -1.744 59.634 61.300 0.129 0.000 1.362 71 I CB 0.313 38.346 38.000 0.055 0.000 1.419 71 I HN 0.081 nan 8.210 nan 0.000 0.533 72 P HA 0.173 nan 4.420 nan 0.000 0.276 72 P C -0.644 176.499 177.300 -0.262 0.000 1.261 72 P CA -0.460 62.386 63.100 -0.423 0.000 0.800 72 P CB 0.890 32.386 31.700 -0.341 0.000 1.066 73 E N -0.042 119.977 120.200 -0.301 0.000 2.319 73 E HA 0.112 4.462 4.350 -0.000 0.000 0.268 73 E C 1.048 177.560 176.600 -0.148 0.000 1.050 73 E CA -0.727 55.572 56.400 -0.167 0.000 0.878 73 E CB 0.710 30.356 29.700 -0.091 0.000 1.066 73 E HN 0.262 nan 8.360 nan 0.000 0.406 74 I N 1.230 121.654 120.570 -0.243 0.000 2.151 74 I HA -0.257 3.913 4.170 -0.000 0.000 0.243 74 I C 1.395 177.368 176.117 -0.240 0.000 1.080 74 I CA 1.634 62.730 61.300 -0.339 0.000 1.339 74 I CB -0.196 37.418 38.000 -0.643 0.000 1.039 74 I HN 0.632 nan 8.210 nan 0.000 0.409 75 W N -0.122 121.209 121.300 0.051 0.000 2.355 75 W HA -0.183 4.477 4.660 -0.000 0.000 0.309 75 W C 2.695 179.220 176.519 0.010 0.000 1.206 75 W CA 1.414 58.782 57.345 0.038 0.000 1.284 75 W CB -1.283 28.179 29.460 0.004 0.000 1.145 75 W HN -0.057 nan 8.180 nan 0.000 0.502 76 T N -0.276 114.356 114.554 0.130 0.000 2.699 76 T HA -0.299 4.051 4.350 -0.000 0.000 0.268 76 T C 1.165 175.860 174.700 -0.009 0.000 1.036 76 T CA 1.873 63.963 62.100 -0.017 0.000 1.147 76 T CB -0.676 68.028 68.868 -0.272 0.000 0.862 76 T HN 0.377 nan 8.240 nan 0.000 0.446 77 W N 1.373 122.579 121.300 -0.156 0.000 2.358 77 W HA -0.050 4.610 4.660 -0.000 0.000 0.303 77 W C 1.734 178.224 176.519 -0.047 0.000 1.208 77 W CA 0.871 58.149 57.345 -0.111 0.000 1.274 77 W CB -0.530 28.845 29.460 -0.142 0.000 1.138 77 W HN 0.188 nan 8.180 nan 0.000 0.515 78 L N 0.306 121.480 121.223 -0.082 0.000 1.976 78 L HA -0.214 4.126 4.340 -0.000 0.000 0.209 78 L C 2.858 179.592 176.870 -0.226 0.000 1.071 78 L CA 2.002 56.680 54.840 -0.270 0.000 0.746 78 L CB -1.138 40.971 42.059 0.084 0.000 0.890 78 L HN -0.068 nan 8.230 nan 0.000 0.432 79 R N -0.195 120.279 120.500 -0.044 0.000 2.140 79 R HA -0.252 4.088 4.340 -0.000 0.000 0.250 79 R C 2.207 178.458 176.300 -0.081 0.000 1.150 79 R CA 2.534 58.620 56.100 -0.023 0.000 0.966 79 R CB -0.373 29.948 30.300 0.035 0.000 0.869 79 R HN 0.588 nan 8.270 nan 0.000 0.445 80 T N -2.848 111.626 114.554 -0.132 0.000 2.894 80 T HA -0.059 4.291 4.350 -0.000 0.000 0.258 80 T C 1.848 176.416 174.700 -0.221 0.000 1.043 80 T CA 1.177 63.202 62.100 -0.124 0.000 1.141 80 T CB -0.547 68.288 68.868 -0.054 0.000 0.873 80 T HN 0.423 nan 8.240 nan 0.000 0.449 81 T N 0.113 114.397 114.554 -0.450 0.000 3.155 81 T HA 0.141 4.491 4.350 -0.000 0.000 0.264 81 T C 1.302 175.817 174.700 -0.309 0.000 1.160 81 T CA 0.396 62.207 62.100 -0.481 0.000 1.075 81 T CB -0.372 67.942 68.868 -0.923 0.000 0.921 81 T HN 0.200 nan 8.240 nan 0.000 0.533 82 L N -0.628 120.457 121.223 -0.229 0.000 2.749 82 L HA 0.399 4.739 4.340 -0.000 0.000 0.242 82 L C 1.069 177.888 176.870 -0.085 0.000 1.103 82 L CA -0.048 54.706 54.840 -0.144 0.000 0.906 82 L CB -0.020 41.969 42.059 -0.117 0.000 1.228 82 L HN 0.057 nan 8.230 nan 0.000 0.517 83 R N 2.666 123.127 120.500 -0.066 0.000 2.483 83 R HA 0.096 4.436 4.340 -0.000 0.000 0.329 83 R C -1.956 174.339 176.300 -0.009 0.000 0.961 83 R CA -1.051 55.040 56.100 -0.016 0.000 1.041 83 R CB -0.290 30.010 30.300 -0.000 0.000 0.930 83 R HN 0.077 nan 8.270 nan 0.000 0.413 84 P HA -0.020 nan 4.420 nan 0.000 0.271 84 P C -0.202 177.162 177.300 0.107 0.000 1.216 84 P CA -0.273 62.847 63.100 0.033 0.000 0.776 84 P CB 0.957 32.748 31.700 0.151 0.000 0.881 85 S N 3.036 118.791 115.700 0.091 0.000 2.559 85 S HA 0.011 4.481 4.470 -0.000 0.000 0.282 85 S C -1.553 173.153 174.600 0.177 0.000 1.336 85 S CA -0.522 57.747 58.200 0.115 0.000 1.037 85 S CB -0.501 62.759 63.200 0.100 0.000 0.853 85 S HN 0.286 nan 8.310 nan 0.000 0.523 86 P HA -0.061 nan 4.420 nan 0.000 0.216 86 P C 1.520 178.951 177.300 0.220 0.000 1.150 86 P CA 1.438 64.639 63.100 0.168 0.000 0.837 86 P CB -0.128 31.656 31.700 0.141 0.000 0.786 87 S N -0.910 114.934 115.700 0.239 0.000 2.356 87 S HA -0.191 4.279 4.470 -0.000 0.000 0.223 87 S C 1.675 176.428 174.600 0.255 0.000 1.032 87 S CA 1.153 59.516 58.200 0.271 0.000 1.005 87 S CB -1.387 61.959 63.200 0.242 0.000 0.867 87 S HN 0.125 nan 8.310 nan 0.000 0.449 88 F N 2.935 122.945 119.950 0.101 0.000 2.095 88 F HA -0.143 4.384 4.527 0.000 0.000 0.298 88 F C 1.883 177.773 175.800 0.149 0.000 1.104 88 F CA 1.091 59.147 58.000 0.092 0.000 1.232 88 F CB -0.429 38.594 39.000 0.039 0.000 0.987 88 F HN 0.042 nan 8.300 nan 0.000 0.475 89 I N 0.364 121.013 120.570 0.132 0.000 2.118 89 I HA -0.344 3.826 4.170 -0.000 0.000 0.241 89 I C 2.490 178.514 176.117 -0.156 0.000 1.070 89 I CA 2.115 63.400 61.300 -0.024 0.000 1.327 89 I CB -2.001 36.043 38.000 0.074 0.000 1.034 89 I HN 0.285 nan 8.210 nan 0.000 0.405 90 H N 0.610 119.573 119.070 -0.178 0.000 2.352 90 H HA -0.269 4.287 4.556 -0.000 0.000 0.299 90 H C 2.125 177.211 175.328 -0.403 0.000 1.097 90 H CA 2.059 57.908 56.048 -0.331 0.000 1.311 90 H CB -0.455 29.081 29.762 -0.377 0.000 1.377 90 H HN 0.248 nan 8.280 nan 0.000 0.504 91 F N 0.015 119.735 119.950 -0.383 0.000 2.069 91 F HA -0.182 4.345 4.527 -0.000 0.000 0.298 91 F C 1.803 177.305 175.800 -0.496 0.000 1.113 91 F CA 1.193 58.951 58.000 -0.403 0.000 1.214 91 F CB -0.488 38.414 39.000 -0.163 0.000 0.978 91 F HN 0.164 nan 8.300 nan 0.000 0.474 92 L N 0.431 121.436 121.223 -0.363 0.000 2.046 92 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 92 L C 2.265 178.988 176.870 -0.246 0.000 1.077 92 L CA 1.513 56.159 54.840 -0.323 0.000 0.747 92 L CB -1.257 40.638 42.059 -0.273 0.000 0.896 92 L HN 0.218 nan 8.230 nan 0.000 0.432 93 L N -0.749 120.166 121.223 -0.513 0.000 2.622 93 L HA -0.096 4.244 4.340 -0.000 0.000 0.233 93 L C 1.297 177.525 176.870 -1.071 0.000 1.156 93 L CA 1.120 55.471 54.840 -0.815 0.000 0.866 93 L CB -0.564 40.709 42.059 -1.309 0.000 0.980 93 L HN 0.474 nan 8.230 nan 0.000 0.448 94 T N -5.746 108.106 114.554 -1.170 0.000 3.170 94 T HA 0.245 4.595 4.350 -0.000 0.000 0.288 94 T C 0.285 174.059 174.700 -1.543 0.000 0.992 94 T CA -0.460 60.681 62.100 -1.597 0.000 0.909 94 T CB 0.045 68.073 68.868 -1.400 0.000 1.133 94 T HN 0.004 nan 8.240 nan 0.000 0.530 95 H N 0.148 118.895 119.070 -0.539 0.000 2.894 95 H HA 0.620 5.176 4.556 -0.000 0.000 0.368 95 H C 0.970 176.431 175.328 0.223 0.000 1.181 95 H CA -0.604 55.381 56.048 -0.106 0.000 1.146 95 H CB 1.327 30.776 29.762 -0.522 0.000 1.839 95 H HN 0.268 nan 8.280 nan 0.000 0.557 96 G N 1.587 110.548 108.800 0.268 0.000 2.256 96 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.272 96 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.272 96 G C 1.356 176.088 174.900 -0.279 0.000 1.076 96 G CA 0.796 45.759 45.100 -0.228 0.000 0.882 96 G HN 0.601 nan 8.290 nan 0.000 0.497 97 R N 0.182 120.659 120.500 -0.039 0.000 2.159 97 R HA -0.211 4.129 4.340 -0.000 0.000 0.252 97 R C 2.617 178.842 176.300 -0.126 0.000 1.144 97 R CA 3.362 59.230 56.100 -0.387 0.000 0.961 97 R CB -0.710 29.283 30.300 -0.512 0.000 0.877 97 R HN 0.969 nan 8.270 nan 0.000 0.444 98 W N 0.020 121.297 121.300 -0.039 0.000 2.333 98 W HA -0.229 4.431 4.660 -0.000 0.000 0.316 98 W C 1.695 178.224 176.519 0.017 0.000 1.215 98 W CA 0.976 58.311 57.345 -0.017 0.000 1.278 98 W CB -1.453 27.990 29.460 -0.029 0.000 1.154 98 W HN 0.234 nan 8.180 nan 0.000 0.486 99 L N 0.186 120.857 121.223 -0.920 0.000 2.042 99 L HA -0.112 4.228 4.340 -0.000 0.000 0.210 99 L C 2.490 179.118 176.870 -0.404 0.000 1.076 99 L CA 2.319 56.640 54.840 -0.866 0.000 0.749 99 L CB -0.900 40.204 42.059 -1.592 0.000 0.893 99 L HN -0.009 nan 8.230 nan 0.000 0.432 100 W N 0.011 121.138 121.300 -0.287 0.000 2.363 100 W HA -0.187 4.473 4.660 -0.000 0.000 0.296 100 W C 2.335 178.802 176.519 -0.087 0.000 1.212 100 W CA 0.814 58.069 57.345 -0.150 0.000 1.260 100 W CB -0.166 29.245 29.460 -0.082 0.000 1.131 100 W HN 0.181 nan 8.180 nan 0.000 0.530 101 D N -0.393 120.107 120.400 0.167 0.000 2.144 101 D HA -0.199 4.441 4.640 -0.000 0.000 0.199 101 D C 1.767 178.166 176.300 0.164 0.000 0.984 101 D CA 1.265 55.344 54.000 0.132 0.000 0.834 101 D CB -0.609 40.253 40.800 0.103 0.000 0.955 101 D HN 0.093 nan 8.370 nan 0.000 0.465 102 F N 1.730 121.692 119.950 0.020 0.000 2.084 102 F HA -0.167 4.360 4.527 -0.000 0.000 0.296 102 F C 2.215 178.003 175.800 -0.020 0.000 1.111 102 F CA 0.771 58.771 58.000 0.001 0.000 1.224 102 F CB -0.706 38.288 39.000 -0.009 0.000 0.991 102 F HN -0.243 nan 8.300 nan 0.000 0.471 103 V N 1.493 121.263 119.914 -0.240 0.000 2.250 103 V HA -0.411 3.709 4.120 -0.000 0.000 0.250 103 V C 2.298 178.274 176.094 -0.196 0.000 1.060 103 V CA 2.351 64.458 62.300 -0.321 0.000 1.030 103 V CB -1.014 30.757 31.823 -0.086 0.000 0.643 103 V HN 0.389 nan 8.190 nan 0.000 0.445 104 N N 0.357 119.055 118.700 -0.003 0.000 2.258 104 N HA -0.157 4.583 4.740 -0.000 0.000 0.187 104 N C 1.589 177.068 175.510 -0.051 0.000 1.012 104 N CA 1.660 54.712 53.050 0.004 0.000 0.870 104 N CB -0.346 38.171 38.487 0.050 0.000 0.977 104 N HN 0.578 nan 8.380 nan 0.000 0.434 105 A N -0.005 122.756 122.820 -0.099 0.000 2.178 105 A HA 0.059 4.379 4.320 -0.000 0.000 0.211 105 A C 1.333 178.829 177.584 -0.147 0.000 1.157 105 A CA 0.598 52.590 52.037 -0.077 0.000 0.780 105 A CB -0.159 18.846 19.000 0.009 0.000 0.828 105 A HN 0.403 nan 8.150 nan 0.000 0.476 106 T N -4.126 110.242 114.554 -0.311 0.000 2.893 106 T HA 0.449 4.799 4.350 -0.000 0.000 0.279 106 T C 0.888 175.459 174.700 -0.215 0.000 0.991 106 T CA 0.002 61.904 62.100 -0.330 0.000 0.950 106 T CB 0.354 68.813 68.868 -0.682 0.000 1.223 106 T HN 0.588 nan 8.240 nan 0.000 0.585 107 F N -0.407 119.485 119.950 -0.096 0.000 2.502 107 F HA 0.242 4.769 4.527 -0.000 0.000 0.298 107 F C 1.797 177.568 175.800 -0.048 0.000 1.111 107 F CA 0.212 58.180 58.000 -0.054 0.000 1.445 107 F CB -1.168 37.812 39.000 -0.034 0.000 1.081 107 F HN 0.386 nan 8.300 nan 0.000 0.558 108 I N 0.932 120.986 120.570 -0.860 0.000 2.399 108 I HA -0.295 3.875 4.170 -0.000 0.000 0.254 108 I C 2.846 178.869 176.117 -0.156 0.000 1.146 108 I CA 1.498 62.477 61.300 -0.535 0.000 1.412 108 I CB -0.602 37.036 38.000 -0.604 0.000 1.076 108 I HN 0.244 nan 8.210 nan 0.000 0.432 109 R N 1.353 121.783 120.500 -0.115 0.000 2.082 109 R HA -0.235 4.105 4.340 -0.000 0.000 0.234 109 R C 1.826 178.133 176.300 0.012 0.000 1.136 109 R CA 2.485 58.575 56.100 -0.017 0.000 0.935 109 R CB -0.302 29.989 30.300 -0.016 0.000 0.842 109 R HN 0.231 nan 8.270 nan 0.000 0.430 110 D N -0.367 120.049 120.400 0.028 0.000 2.123 110 D HA -0.130 4.510 4.640 -0.000 0.000 0.196 110 D C 1.821 178.154 176.300 0.054 0.000 0.992 110 D CA 2.034 56.060 54.000 0.043 0.000 0.833 110 D CB -0.342 40.497 40.800 0.065 0.000 0.954 110 D HN 0.364 nan 8.370 nan 0.000 0.455 111 T N 0.528 115.136 114.554 0.089 0.000 2.708 111 T HA -0.072 4.278 4.350 -0.000 0.000 0.266 111 T C 2.163 176.899 174.700 0.060 0.000 1.037 111 T CA 0.646 62.803 62.100 0.095 0.000 1.146 111 T CB -0.327 68.634 68.868 0.156 0.000 0.865 111 T HN 0.137 nan 8.240 nan 0.000 0.435 112 L N -0.019 121.236 121.223 0.052 0.000 2.093 112 L HA -0.030 4.310 4.340 -0.000 0.000 0.208 112 L C 2.652 179.548 176.870 0.043 0.000 1.085 112 L CA 0.937 55.812 54.840 0.058 0.000 0.755 112 L CB -0.562 41.548 42.059 0.085 0.000 0.904 112 L HN 0.252 nan 8.230 nan 0.000 0.435 113 M N 0.330 119.949 119.600 0.032 0.000 2.159 113 M HA -0.205 4.275 4.480 -0.000 0.000 0.263 113 M C 2.344 178.647 176.300 0.004 0.000 1.063 113 M CA 1.735 57.047 55.300 0.020 0.000 1.110 113 M CB -0.469 32.139 32.600 0.013 0.000 1.374 113 M HN 0.052 nan 8.290 nan 0.000 0.411 114 R N -0.574 119.926 120.500 -0.001 0.000 2.073 114 R HA -0.119 4.221 4.340 -0.000 0.000 0.229 114 R C 2.098 178.394 176.300 -0.008 0.000 1.120 114 R CA 1.493 57.580 56.100 -0.022 0.000 0.967 114 R CB -0.561 29.730 30.300 -0.015 0.000 0.862 114 R HN 0.442 nan 8.270 nan 0.000 0.436 115 L N 0.661 121.895 121.223 0.018 0.000 1.970 115 L HA -0.186 4.154 4.340 -0.000 0.000 0.212 115 L C 2.206 179.095 176.870 0.031 0.000 1.071 115 L CA 1.676 56.533 54.840 0.029 0.000 0.751 115 L CB -0.475 41.610 42.059 0.044 0.000 0.889 115 L HN 0.052 nan 8.230 nan 0.000 0.432 116 V N -0.456 119.482 119.914 0.040 0.000 2.231 116 V HA -0.380 3.740 4.120 -0.000 0.000 0.250 116 V C 2.526 178.641 176.094 0.036 0.000 1.058 116 V CA 2.068 64.399 62.300 0.052 0.000 1.022 116 V CB -0.828 31.034 31.823 0.066 0.000 0.640 116 V HN 0.405 nan 8.190 nan 0.000 0.445 117 L N 0.537 121.764 121.223 0.007 0.000 2.051 117 L HA -0.213 4.127 4.340 -0.000 0.000 0.214 117 L C 2.754 179.611 176.870 -0.022 0.000 1.076 117 L CA 2.910 57.732 54.840 -0.030 0.000 0.758 117 L CB -1.454 40.543 42.059 -0.104 0.000 0.890 117 L HN 0.768 nan 8.230 nan 0.000 0.433 118 T N -4.953 109.593 114.554 -0.014 0.000 2.755 118 T HA -0.115 4.235 4.350 -0.000 0.000 0.251 118 T C 1.938 176.665 174.700 0.045 0.000 1.044 118 T CA 1.044 63.159 62.100 0.024 0.000 1.154 118 T CB -1.120 67.758 68.868 0.018 0.000 0.866 118 T HN 0.028 nan 8.240 nan 0.000 0.416 119 V N 1.540 121.476 119.914 0.037 0.000 2.527 119 V HA -0.178 3.942 4.120 -0.000 0.000 0.255 119 V C 2.951 179.069 176.094 0.041 0.000 1.081 119 V CA 2.152 64.475 62.300 0.039 0.000 1.092 119 V CB -0.693 31.155 31.823 0.043 0.000 0.673 119 V HN 0.396 nan 8.190 nan 0.000 0.470 120 R N -0.255 120.273 120.500 0.048 0.000 2.093 120 R HA 0.015 4.355 4.340 -0.000 0.000 0.224 120 R C 2.517 178.837 176.300 0.034 0.000 1.101 120 R CA 1.652 57.782 56.100 0.050 0.000 0.979 120 R CB -0.586 29.750 30.300 0.060 0.000 0.877 120 R HN 0.567 nan 8.270 nan 0.000 0.441 121 S N 1.021 116.754 115.700 0.056 0.000 2.383 121 S HA -0.060 4.410 4.470 -0.000 0.000 0.227 121 S C 1.288 175.888 174.600 0.001 0.000 1.026 121 S CA 1.143 59.383 58.200 0.065 0.000 0.981 121 S CB -0.298 63.035 63.200 0.222 0.000 0.818 121 S HN 0.361 nan 8.310 nan 0.000 0.472 122 N N 1.832 120.534 118.700 0.003 0.000 2.430 122 N HA -0.010 4.730 4.740 -0.000 0.000 0.186 122 N C 1.203 176.661 175.510 -0.086 0.000 1.032 122 N CA 0.510 53.541 53.050 -0.032 0.000 0.893 122 N CB -0.398 38.082 38.487 -0.012 0.000 0.957 122 N HN 0.281 nan 8.380 nan 0.000 0.442 123 L N 0.120 121.276 121.223 -0.110 0.000 2.291 123 L HA 0.047 4.387 4.340 -0.000 0.000 0.214 123 L C 0.265 176.960 176.870 -0.291 0.000 1.120 123 L CA 0.710 55.416 54.840 -0.223 0.000 0.799 123 L CB -0.365 41.564 42.059 -0.218 0.000 0.925 123 L HN 0.047 nan 8.230 nan 0.000 0.446 124 I N 2.429 122.879 120.570 -0.200 0.000 2.312 124 I HA 0.252 4.422 4.170 -0.000 0.000 0.290 124 I C -1.871 174.166 176.117 -0.134 0.000 1.008 124 I CA -2.924 58.274 61.300 -0.170 0.000 1.226 124 I CB 0.837 38.762 38.000 -0.126 0.000 1.371 124 I HN -0.091 nan 8.210 nan 0.000 0.468 125 P HA 0.212 nan 4.420 nan 0.000 0.271 125 P C -0.524 176.706 177.300 -0.116 0.000 1.216 125 P CA -0.151 62.875 63.100 -0.122 0.000 0.771 125 P CB 1.293 32.910 31.700 -0.137 0.000 0.864 126 S N 2.698 118.326 115.700 -0.119 0.000 2.649 126 S HA 0.398 4.868 4.470 -0.000 0.000 0.274 126 S C -2.433 172.116 174.600 -0.085 0.000 1.176 126 S CA -0.838 57.294 58.200 -0.113 0.000 0.988 126 S CB 1.021 64.118 63.200 -0.172 0.000 1.071 126 S HN 0.431 nan 8.310 nan 0.000 0.478 127 P HA 0.252 nan 4.420 nan 0.000 0.270 127 P C -2.637 174.646 177.300 -0.028 0.000 1.227 127 P CA -0.926 62.189 63.100 0.025 0.000 0.788 127 P CB -0.622 31.173 31.700 0.159 0.000 0.926 128 P HA -0.037 nan 4.420 nan 0.000 0.271 128 P C 0.571 177.788 177.300 -0.138 0.000 1.244 128 P CA 0.126 63.170 63.100 -0.093 0.000 0.793 128 P CB 0.424 32.065 31.700 -0.099 0.000 0.984 129 T N -2.058 112.336 114.554 -0.266 0.000 3.610 129 T HA 0.161 4.511 4.350 -0.000 0.000 0.209 129 T C 0.486 174.936 174.700 -0.416 0.000 0.889 129 T CA 0.372 62.174 62.100 -0.496 0.000 1.469 129 T CB -0.743 67.505 68.868 -1.033 0.000 1.557 129 T HN 0.270 nan 8.240 nan 0.000 0.431 130 Y N 3.077 123.355 120.300 -0.037 0.000 2.545 130 Y HA 0.728 5.278 4.550 -0.000 0.000 0.324 130 Y C 0.571 176.406 175.900 -0.109 0.000 1.220 130 Y CA -1.644 56.406 58.100 -0.084 0.000 1.290 130 Y CB 0.401 38.826 38.460 -0.058 0.000 1.355 130 Y HN 0.721 nan 8.280 nan 0.000 0.516 131 N N -1.059 117.647 118.700 0.010 0.000 2.972 131 N HA 0.173 4.913 4.740 -0.000 0.000 0.262 131 N C -0.092 175.376 175.510 -0.070 0.000 1.478 131 N CA -0.718 52.284 53.050 -0.080 0.000 0.841 131 N CB 0.426 38.734 38.487 -0.299 0.000 1.512 131 N HN 0.550 nan 8.380 nan 0.000 0.548 132 I N -0.047 120.505 120.570 -0.030 0.000 2.423 132 I HA -0.083 4.087 4.170 -0.000 0.000 0.254 132 I C 1.784 177.889 176.117 -0.020 0.000 1.151 132 I CA 1.817 63.102 61.300 -0.024 0.000 1.421 132 I CB -0.724 37.230 38.000 -0.076 0.000 1.079 132 I HN 0.712 nan 8.210 nan 0.000 0.431 133 A N -1.233 121.530 122.820 -0.094 0.000 1.911 133 A HA 0.034 4.354 4.320 -0.000 0.000 0.212 133 A C 0.502 177.978 177.584 -0.179 0.000 1.189 133 A CA 0.788 52.724 52.037 -0.167 0.000 0.639 133 A CB -0.330 18.444 19.000 -0.377 0.000 0.839 133 A HN 0.490 nan 8.150 nan 0.000 0.449 134 H N 0.134 119.025 119.070 -0.298 0.000 2.646 134 H HA 0.385 4.941 4.556 -0.000 0.000 0.328 134 H C -1.454 173.580 175.328 -0.489 0.000 0.998 134 H CA -1.352 54.295 56.048 -0.668 0.000 1.225 134 H CB 1.022 30.175 29.762 -1.014 0.000 1.457 134 H HN 0.140 nan 8.280 nan 0.000 0.505 135 D N 3.311 123.570 120.400 -0.235 0.000 2.881 135 D HA 0.097 4.737 4.640 -0.000 0.000 0.240 135 D C -0.376 175.708 176.300 -0.360 0.000 1.249 135 D CA 0.280 54.096 54.000 -0.306 0.000 0.839 135 D CB -0.387 40.319 40.800 -0.157 0.000 1.042 135 D HN 0.450 nan 8.370 nan 0.000 0.475 136 Y N -2.771 117.476 120.300 -0.088 0.000 2.624 136 Y HA 0.440 4.990 4.550 -0.000 0.000 0.334 136 Y C -0.442 175.687 175.900 0.382 0.000 1.155 136 Y CA -1.511 56.645 58.100 0.093 0.000 1.046 136 Y CB 0.397 38.859 38.460 0.003 0.000 1.316 136 Y HN -0.296 nan 8.280 nan 0.000 0.457 137 I N 2.916 123.771 120.570 0.475 0.000 2.754 137 I HA 0.414 4.584 4.170 -0.000 0.000 0.285 137 I C 0.264 176.522 176.117 0.234 0.000 1.166 137 I CA 0.481 61.931 61.300 0.249 0.000 1.417 137 I CB 1.141 39.238 38.000 0.162 0.000 1.382 137 I HN 0.789 nan 8.210 nan 0.000 0.588 138 S N 5.403 121.197 115.700 0.157 0.000 2.543 138 S HA 0.123 4.593 4.470 -0.000 0.000 0.274 138 S C 0.181 174.909 174.600 0.212 0.000 1.149 138 S CA -0.967 57.345 58.200 0.187 0.000 0.866 138 S CB 0.901 64.153 63.200 0.086 0.000 1.111 138 S HN 0.873 nan 8.310 nan 0.000 0.457 139 W N 2.316 123.679 121.300 0.105 0.000 2.338 139 W HA -0.180 4.480 4.660 -0.000 0.000 0.304 139 W C 1.616 178.251 176.519 0.193 0.000 1.212 139 W CA 2.619 60.049 57.345 0.143 0.000 1.264 139 W CB -0.308 29.212 29.460 0.099 0.000 1.142 139 W HN 1.076 nan 8.180 nan 0.000 0.512 140 E N 0.396 120.756 120.200 0.266 0.000 2.085 140 E HA -0.240 4.110 4.350 -0.000 0.000 0.194 140 E C 2.278 178.850 176.600 -0.047 0.000 0.994 140 E CA 2.405 58.899 56.400 0.155 0.000 0.801 140 E CB -0.834 29.023 29.700 0.261 0.000 0.743 140 E HN 0.018 nan 8.360 nan 0.000 0.453 141 S N -1.302 114.376 115.700 -0.036 0.000 2.382 141 S HA -0.147 4.323 4.470 -0.000 0.000 0.228 141 S C 1.676 176.155 174.600 -0.200 0.000 1.027 141 S CA 1.151 59.222 58.200 -0.215 0.000 0.991 141 S CB -0.599 62.526 63.200 -0.125 0.000 0.823 141 S HN 0.514 nan 8.310 nan 0.000 0.469 142 F N 2.160 121.920 119.950 -0.317 0.000 2.325 142 F HA 0.022 4.549 4.527 -0.000 0.000 0.299 142 F C 2.171 177.687 175.800 -0.475 0.000 1.090 142 F CA 1.677 59.424 58.000 -0.422 0.000 1.392 142 F CB -0.223 38.431 39.000 -0.576 0.000 1.053 142 F HN 0.364 nan 8.300 nan 0.000 0.521 143 S N -1.429 113.914 115.700 -0.595 0.000 2.527 143 S HA 0.096 4.566 4.470 -0.000 0.000 0.227 143 S C 0.801 175.241 174.600 -0.267 0.000 1.059 143 S CA -0.231 57.644 58.200 -0.543 0.000 0.919 143 S CB -0.641 62.356 63.200 -0.338 0.000 0.805 143 S HN 0.301 nan 8.310 nan 0.000 0.500 144 N N 2.514 121.137 118.700 -0.129 0.000 2.421 144 N HA 0.128 4.868 4.740 -0.000 0.000 0.260 144 N C 0.361 175.896 175.510 0.042 0.000 1.173 144 N CA 0.100 53.172 53.050 0.036 0.000 0.960 144 N CB 0.959 39.582 38.487 0.226 0.000 1.273 144 N HN 0.123 nan 8.380 nan 0.000 0.497 145 V N 2.846 122.735 119.914 -0.042 0.000 3.592 145 V HA -0.055 4.065 4.120 -0.000 0.000 0.272 145 V C 1.464 177.630 176.094 0.120 0.000 1.228 145 V CA 0.945 63.197 62.300 -0.080 0.000 1.173 145 V CB -0.461 31.240 31.823 -0.203 0.000 0.873 145 V HN 0.595 nan 8.190 nan 0.000 0.476 146 S N -0.921 114.875 115.700 0.160 0.000 2.527 146 S HA 0.130 4.600 4.470 -0.000 0.000 0.222 146 S C 0.301 175.002 174.600 0.167 0.000 0.985 146 S CA 0.073 58.345 58.200 0.120 0.000 0.921 146 S CB -0.124 63.096 63.200 0.034 0.000 0.772 146 S HN 0.585 nan 8.310 nan 0.000 0.529 147 Y N 0.605 120.956 120.300 0.086 0.000 2.310 147 Y HA 0.380 4.930 4.550 -0.000 0.000 0.326 147 Y C 0.037 175.935 175.900 -0.004 0.000 1.151 147 Y CA -1.218 56.848 58.100 -0.057 0.000 1.195 147 Y CB 0.263 38.658 38.460 -0.107 0.000 1.210 147 Y HN 0.047 nan 8.280 nan 0.000 0.483 148 Y N 1.096 121.455 120.300 0.099 0.000 2.319 148 Y HA 0.183 4.733 4.550 -0.000 0.000 0.328 148 Y C 0.906 176.848 175.900 0.071 0.000 1.133 148 Y CA -0.312 57.840 58.100 0.087 0.000 1.265 148 Y CB 1.085 39.545 38.460 -0.001 0.000 1.218 148 Y HN 0.577 nan 8.280 nan 0.000 0.508 149 T N 4.053 118.765 114.554 0.264 0.000 2.862 149 T HA 0.711 5.061 4.350 -0.000 0.000 0.276 149 T C -0.547 174.224 174.700 0.119 0.000 0.974 149 T CA -0.720 61.458 62.100 0.129 0.000 0.966 149 T CB 0.504 69.418 68.868 0.077 0.000 1.072 149 T HN 0.799 nan 8.240 nan 0.000 0.538 150 R N 1.668 122.230 120.500 0.103 0.000 2.740 150 R HA 0.511 4.851 4.340 -0.000 0.000 0.273 150 R C 0.288 176.689 176.300 0.167 0.000 0.998 150 R CA -0.945 55.239 56.100 0.141 0.000 0.900 150 R CB 0.668 31.052 30.300 0.141 0.000 1.223 150 R HN 0.379 nan 8.270 nan 0.000 0.466 151 I N 0.849 121.574 120.570 0.258 0.000 2.400 151 I HA 0.122 4.292 4.170 -0.000 0.000 0.248 151 I C 0.704 176.922 176.117 0.169 0.000 1.109 151 I CA 0.686 62.110 61.300 0.207 0.000 1.425 151 I CB -0.582 37.611 38.000 0.321 0.000 1.094 151 I HN 0.495 nan 8.210 nan 0.000 0.425 152 L N 3.319 124.653 121.223 0.185 0.000 2.333 152 L HA 0.378 4.718 4.340 -0.000 0.000 0.280 152 L C -2.317 174.597 176.870 0.073 0.000 1.004 152 L CA -1.794 53.067 54.840 0.035 0.000 0.820 152 L CB 1.921 43.774 42.059 -0.343 0.000 1.247 152 L HN -0.116 nan 8.230 nan 0.000 0.416 153 P HA -0.008 nan 4.420 nan 0.000 0.266 153 P C -0.074 177.194 177.300 -0.054 0.000 1.195 153 P CA -0.143 62.895 63.100 -0.104 0.000 0.768 153 P CB 0.816 32.314 31.700 -0.336 0.000 0.838 154 S N 1.798 117.487 115.700 -0.017 0.000 2.572 154 S HA 0.051 4.521 4.470 -0.000 0.000 0.267 154 S C 0.406 175.036 174.600 0.050 0.000 1.361 154 S CA -0.692 57.520 58.200 0.020 0.000 1.009 154 S CB -0.198 63.018 63.200 0.028 0.000 0.888 154 S HN 0.279 nan 8.310 nan 0.000 0.553 155 V N 4.001 123.967 119.914 0.087 0.000 2.479 155 V HA 0.228 4.348 4.120 -0.000 0.000 0.281 155 V C -1.962 174.173 176.094 0.068 0.000 1.031 155 V CA -1.400 60.983 62.300 0.137 0.000 1.038 155 V CB -0.025 31.886 31.823 0.147 0.000 0.981 155 V HN 0.780 nan 8.190 nan 0.000 0.478 156 P HA 0.074 nan 4.420 nan 0.000 0.264 156 P C 0.653 177.957 177.300 0.007 0.000 1.183 156 P CA 0.117 63.225 63.100 0.014 0.000 0.763 156 P CB 0.357 32.049 31.700 -0.014 0.000 0.807 157 R N 2.303 122.813 120.500 0.016 0.000 2.328 157 R HA -0.084 4.256 4.340 -0.000 0.000 0.207 157 R C 0.599 176.901 176.300 0.003 0.000 1.056 157 R CA 1.085 57.195 56.100 0.016 0.000 1.016 157 R CB -0.351 29.965 30.300 0.026 0.000 0.872 157 R HN 0.624 nan 8.270 nan 0.000 0.471 158 D N -0.838 119.557 120.400 -0.010 0.000 2.525 158 D HA 0.033 4.673 4.640 -0.000 0.000 0.229 158 D C -0.010 176.262 176.300 -0.045 0.000 1.202 158 D CA -0.380 53.609 54.000 -0.018 0.000 0.828 158 D CB -0.410 40.383 40.800 -0.010 0.000 1.008 158 D HN -0.057 nan 8.370 nan 0.000 0.493 159 c N 0.813 119.375 118.600 -0.063 0.000 2.362 159 c HA 0.318 4.888 4.570 -0.000 0.000 0.363 159 c C -0.617 173.419 174.090 -0.090 0.000 1.220 159 c CA -1.002 55.258 56.329 -0.116 0.000 2.379 159 c CB 1.625 44.045 42.510 -0.151 0.000 2.351 159 c HN 0.161 nan 8.230 nan 0.000 0.582 160 P HA -0.058 nan 4.420 nan 0.000 0.211 160 P C 0.666 177.938 177.300 -0.046 0.000 1.179 160 P CA 1.534 64.589 63.100 -0.074 0.000 0.910 160 P CB -0.085 31.557 31.700 -0.098 0.000 0.785 161 T N -5.733 108.790 114.554 -0.052 0.000 2.923 161 T HA 0.352 4.702 4.350 -0.000 0.000 0.281 161 T C -2.115 172.585 174.700 0.001 0.000 0.995 161 T CA -2.038 60.056 62.100 -0.010 0.000 0.985 161 T CB 0.862 69.735 68.868 0.009 0.000 1.114 161 T HN -0.197 nan 8.240 nan 0.000 0.548 162 P HA 0.091 nan 4.420 nan 0.000 0.221 162 P C 1.225 178.574 177.300 0.082 0.000 1.150 162 P CA 0.804 63.938 63.100 0.057 0.000 0.800 162 P CB 0.038 31.783 31.700 0.075 0.000 0.787 163 M N -1.993 117.666 119.600 0.098 0.000 2.494 163 M HA 0.315 4.795 4.480 -0.000 0.000 0.232 163 M C 1.254 177.621 176.300 0.112 0.000 1.137 163 M CA 0.517 55.905 55.300 0.147 0.000 1.012 163 M CB -0.536 32.173 32.600 0.182 0.000 1.567 163 M HN 0.079 nan 8.290 nan 0.000 0.486 164 G N 0.174 108.962 108.800 -0.020 0.000 2.130 164 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.222 164 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.222 164 G C 0.745 175.483 174.900 -0.270 0.000 1.694 164 G CA 0.217 45.181 45.100 -0.227 0.000 1.432 164 G HN 0.210 nan 8.290 nan 0.000 0.476 165 T N 1.800 116.181 114.554 -0.288 0.000 3.071 165 T HA 0.311 4.661 4.350 -0.000 0.000 0.239 165 T C 1.168 175.827 174.700 -0.068 0.000 0.997 165 T CA 1.156 63.109 62.100 -0.243 0.000 1.134 165 T CB 0.139 68.806 68.868 -0.335 0.000 0.928 165 T HN 0.439 nan 8.240 nan 0.000 0.453 166 K N 0.868 121.263 120.400 -0.008 0.000 2.179 166 K HA 0.538 4.858 4.320 -0.000 0.000 0.238 166 K C 0.608 177.258 176.600 0.084 0.000 1.033 166 K CA -0.058 56.262 56.287 0.056 0.000 0.926 166 K CB 0.399 32.950 32.500 0.084 0.000 1.151 166 K HN 0.426 nan 8.250 nan 0.000 0.492 167 G N 0.577 109.447 108.800 0.116 0.000 2.728 167 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.294 167 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.294 167 G C -1.025 173.937 174.900 0.103 0.000 1.342 167 G CA -0.699 44.490 45.100 0.149 0.000 0.866 167 G HN 0.473 nan 8.290 nan 0.000 0.534 168 K N -0.070 120.389 120.400 0.098 0.000 2.109 168 K HA 0.430 4.750 4.320 -0.000 0.000 0.243 168 K C 1.071 177.698 176.600 0.044 0.000 1.006 168 K CA -0.862 55.458 56.287 0.055 0.000 0.917 168 K CB 0.923 33.442 32.500 0.033 0.000 1.081 168 K HN 0.327 nan 8.250 nan 0.000 0.468 169 K N 0.770 121.186 120.400 0.026 0.000 2.365 169 K HA -0.059 4.261 4.320 -0.000 0.000 0.199 169 K C 0.209 176.819 176.600 0.018 0.000 1.045 169 K CA 0.990 57.289 56.287 0.020 0.000 0.962 169 K CB 0.145 32.651 32.500 0.011 0.000 0.759 169 K HN 0.389 nan 8.250 nan 0.000 0.469 170 Q N 0.466 120.273 119.800 0.011 0.000 2.330 170 Q HA 0.320 4.660 4.340 -0.000 0.000 0.269 170 Q C -1.413 174.583 176.000 -0.006 0.000 1.022 170 Q CA -0.486 55.317 55.803 0.001 0.000 0.796 170 Q CB 1.505 30.233 28.738 -0.017 0.000 1.271 170 Q HN -0.100 nan 8.270 nan 0.000 0.450 171 L N 4.826 126.053 121.223 0.007 0.000 2.395 171 L HA 0.502 4.842 4.340 -0.000 0.000 0.269 171 L C -1.964 174.867 176.870 -0.065 0.000 1.133 171 L CA -1.507 53.328 54.840 -0.008 0.000 0.812 171 L CB 0.360 42.459 42.059 0.065 0.000 1.125 171 L HN 0.616 nan 8.230 nan 0.000 0.452 172 P HA -0.079 nan 4.420 nan 0.000 0.264 172 P C -0.738 176.560 177.300 -0.003 0.000 1.179 172 P CA -0.038 62.980 63.100 -0.138 0.000 0.763 172 P CB 0.270 31.791 31.700 -0.299 0.000 0.806 173 D N 2.824 123.244 120.400 0.035 0.000 2.349 173 D HA 0.018 4.658 4.640 -0.000 0.000 0.266 173 D C 1.269 177.655 176.300 0.144 0.000 1.293 173 D CA 0.145 54.188 54.000 0.071 0.000 0.926 173 D CB 0.723 41.545 40.800 0.037 0.000 1.090 173 D HN 0.339 nan 8.370 nan 0.000 0.502 174 A N 4.867 127.754 122.820 0.112 0.000 1.906 174 A HA -0.349 3.971 4.320 -0.000 0.000 0.222 174 A C 1.973 179.631 177.584 0.124 0.000 1.282 174 A CA 2.395 54.505 52.037 0.122 0.000 0.675 174 A CB -0.710 18.347 19.000 0.094 0.000 0.838 174 A HN 0.733 nan 8.150 nan 0.000 0.469 175 E N -1.063 119.204 120.200 0.112 0.000 2.048 175 E HA -0.234 4.116 4.350 -0.000 0.000 0.202 175 E C 1.703 178.370 176.600 0.112 0.000 1.021 175 E CA 2.055 58.516 56.400 0.100 0.000 0.825 175 E CB -0.561 29.194 29.700 0.092 0.000 0.756 175 E HN 0.599 nan 8.360 nan 0.000 0.454 176 F N 0.388 120.332 119.950 -0.011 0.000 2.026 176 F HA -0.204 4.323 4.527 -0.000 0.000 0.296 176 F C 2.099 177.868 175.800 -0.051 0.000 1.133 176 F CA 1.737 59.711 58.000 -0.044 0.000 1.188 176 F CB -0.908 38.065 39.000 -0.045 0.000 0.968 176 F HN 0.233 nan 8.300 nan 0.000 0.476 177 L N 0.262 121.545 121.223 0.100 0.000 2.151 177 L HA -0.292 4.048 4.340 -0.000 0.000 0.215 177 L C 2.329 179.209 176.870 0.016 0.000 1.084 177 L CA 2.291 57.186 54.840 0.093 0.000 0.764 177 L CB -1.244 40.953 42.059 0.230 0.000 0.891 177 L HN 0.285 nan 8.230 nan 0.000 0.435 178 S N -1.042 114.656 115.700 -0.004 0.000 2.371 178 S HA -0.022 4.448 4.470 -0.000 0.000 0.221 178 S C 1.822 176.361 174.600 -0.101 0.000 1.036 178 S CA 0.713 58.914 58.200 0.002 0.000 0.965 178 S CB -0.138 63.092 63.200 0.051 0.000 0.845 178 S HN 0.485 nan 8.310 nan 0.000 0.475 179 R N 1.100 121.500 120.500 -0.167 0.000 2.189 179 R HA 0.115 4.455 4.340 -0.000 0.000 0.223 179 R C 2.249 178.333 176.300 -0.360 0.000 1.092 179 R CA 0.640 56.622 56.100 -0.197 0.000 0.989 179 R CB -0.144 30.067 30.300 -0.148 0.000 0.876 179 R HN 0.285 nan 8.270 nan 0.000 0.457 180 R N -0.212 119.892 120.500 -0.659 0.000 2.080 180 R HA 0.024 4.364 4.340 -0.000 0.000 0.222 180 R C 1.167 176.853 176.300 -1.022 0.000 1.107 180 R CA 1.142 56.610 56.100 -1.053 0.000 0.980 180 R CB 0.123 29.334 30.300 -1.815 0.000 0.879 180 R HN 0.236 nan 8.270 nan 0.000 0.439 181 F N -1.214 118.630 119.950 -0.176 0.000 2.767 181 F HA 0.262 4.789 4.527 -0.000 0.000 0.323 181 F C 1.653 177.399 175.800 -0.090 0.000 1.091 181 F CA -0.076 57.852 58.000 -0.120 0.000 1.192 181 F CB 0.233 39.167 39.000 -0.111 0.000 1.056 181 F HN -0.189 nan 8.300 nan 0.000 0.571 182 L N -0.482 120.774 121.223 0.055 0.000 2.642 182 L HA 0.292 4.632 4.340 -0.000 0.000 0.233 182 L C 0.561 177.449 176.870 0.029 0.000 1.077 182 L CA 0.104 54.971 54.840 0.045 0.000 0.879 182 L CB 0.555 42.653 42.059 0.065 0.000 1.151 182 L HN 0.000 nan 8.230 nan 0.000 0.495 183 L N 2.738 123.958 121.223 -0.005 0.000 2.597 183 L HA 0.045 4.385 4.340 -0.000 0.000 0.271 183 L C 0.949 177.831 176.870 0.020 0.000 1.157 183 L CA 0.110 54.956 54.840 0.010 0.000 0.928 183 L CB 0.320 42.364 42.059 -0.026 0.000 1.216 183 L HN 0.221 nan 8.230 nan 0.000 0.481 184 R N 4.628 125.165 120.500 0.061 0.000 2.480 184 R HA -0.026 4.314 4.340 -0.000 0.000 0.303 184 R C 0.584 176.923 176.300 0.065 0.000 0.985 184 R CA 0.421 56.564 56.100 0.072 0.000 1.051 184 R CB 0.505 30.882 30.300 0.129 0.000 0.935 184 R HN 0.723 nan 8.270 nan 0.000 0.410 185 R N 2.303 122.827 120.500 0.040 0.000 2.121 185 R HA 0.108 4.448 4.340 -0.000 0.000 0.206 185 R C -0.033 176.299 176.300 0.053 0.000 1.094 185 R CA 0.545 56.662 56.100 0.028 0.000 1.055 185 R CB 0.258 30.558 30.300 0.000 0.000 0.964 185 R HN 0.261 nan 8.270 nan 0.000 0.473 186 K N 0.222 120.657 120.400 0.059 0.000 2.427 186 K HA 0.194 4.514 4.320 -0.000 0.000 0.252 186 K C -1.636 175.038 176.600 0.123 0.000 0.931 186 K CA -0.803 55.537 56.287 0.087 0.000 0.793 186 K CB 1.186 33.717 32.500 0.052 0.000 1.211 186 K HN -0.135 nan 8.250 nan 0.000 0.426 187 F N 5.772 125.727 119.950 0.009 0.000 2.506 187 F HA 0.279 4.806 4.527 0.000 0.000 0.369 187 F C -0.327 175.464 175.800 -0.014 0.000 1.114 187 F CA 0.008 58.009 58.000 0.001 0.000 1.121 187 F CB -0.030 38.968 39.000 -0.004 0.000 1.104 187 F HN 0.377 nan 8.300 nan 0.000 0.564 188 I N 9.384 129.671 120.570 -0.473 0.000 2.352 188 I HA 0.250 4.420 4.170 -0.000 0.000 0.290 188 I C -1.991 173.585 176.117 -0.903 0.000 1.036 188 I CA -1.905 59.116 61.300 -0.464 0.000 1.336 188 I CB 0.911 38.733 38.000 -0.296 0.000 1.407 188 I HN 0.448 nan 8.210 nan 0.000 0.497 189 P HA 0.164 nan 4.420 nan 0.000 0.285 189 P C -1.215 175.885 177.300 -0.334 0.000 1.269 189 P CA -0.552 62.196 63.100 -0.587 0.000 0.844 189 P CB 1.229 32.874 31.700 -0.092 0.000 1.094 190 D N 2.750 122.980 120.400 -0.285 0.000 2.383 190 D HA 0.044 4.684 4.640 -0.000 0.000 0.252 190 D C -1.028 175.140 176.300 -0.220 0.000 1.166 190 D CA -1.605 52.231 54.000 -0.274 0.000 0.879 190 D CB 0.506 41.110 40.800 -0.326 0.000 1.164 190 D HN 0.165 nan 8.370 nan 0.000 0.462 191 P HA -0.186 nan 4.420 nan 0.000 0.218 191 P C 0.790 177.988 177.300 -0.169 0.000 1.149 191 P CA 1.134 64.145 63.100 -0.150 0.000 0.817 191 P CB 0.195 31.817 31.700 -0.129 0.000 0.785 192 Q N -0.803 118.843 119.800 -0.256 0.000 2.500 192 Q HA 0.073 4.413 4.340 -0.000 0.000 0.213 192 Q C 1.331 177.077 176.000 -0.423 0.000 0.974 192 Q CA 0.818 56.438 55.803 -0.306 0.000 0.918 192 Q CB -0.533 27.967 28.738 -0.396 0.000 0.980 192 Q HN 0.350 nan 8.270 nan 0.000 0.505 193 G N 0.959 109.546 108.800 -0.354 0.000 2.143 193 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.249 193 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.249 193 G C 0.141 174.787 174.900 -0.423 0.000 0.981 193 G CA 0.231 45.105 45.100 -0.376 0.000 0.665 193 G HN 0.326 nan 8.290 nan 0.000 0.528 194 T N 1.646 115.936 114.554 -0.440 0.000 2.908 194 T HA 0.402 4.752 4.350 -0.000 0.000 0.301 194 T C 0.887 175.490 174.700 -0.162 0.000 1.019 194 T CA 0.707 62.554 62.100 -0.423 0.000 1.152 194 T CB 0.978 69.439 68.868 -0.677 0.000 0.966 194 T HN 0.857 nan 8.240 nan 0.000 0.540 195 N N 2.627 121.328 118.700 0.002 0.000 2.823 195 N HA 0.316 5.056 4.740 -0.000 0.000 0.324 195 N C 0.926 176.519 175.510 0.139 0.000 1.336 195 N CA -1.076 52.042 53.050 0.112 0.000 0.861 195 N CB 0.151 38.763 38.487 0.208 0.000 1.157 195 N HN 0.327 nan 8.380 nan 0.000 0.585 196 L N -1.214 120.098 121.223 0.148 0.000 2.131 196 L HA 0.012 4.352 4.340 -0.000 0.000 0.206 196 L C 2.145 179.071 176.870 0.094 0.000 1.087 196 L CA 0.995 55.838 54.840 0.004 0.000 0.767 196 L CB -0.583 41.490 42.059 0.024 0.000 0.917 196 L HN 0.565 nan 8.230 nan 0.000 0.441 197 M N 0.079 119.896 119.600 0.362 0.000 2.108 197 M HA -0.312 4.168 4.480 -0.000 0.000 0.257 197 M C 2.074 178.759 176.300 0.643 0.000 1.071 197 M CA 2.016 57.646 55.300 0.550 0.000 1.093 197 M CB -0.699 32.211 32.600 0.516 0.000 1.345 197 M HN 0.176 nan 8.290 nan 0.000 0.403 198 F N 0.150 120.289 119.950 0.316 0.000 2.146 198 F HA 0.022 4.549 4.527 -0.000 0.000 0.298 198 F C 2.067 177.907 175.800 0.066 0.000 1.096 198 F CA 1.588 59.579 58.000 -0.015 0.000 1.275 198 F CB -0.836 38.031 39.000 -0.221 0.000 1.008 198 F HN 0.178 nan 8.300 nan 0.000 0.480 199 A N 0.166 123.123 122.820 0.230 0.000 1.908 199 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 199 A C 2.039 179.608 177.584 -0.024 0.000 1.181 199 A CA 1.809 53.888 52.037 0.070 0.000 0.627 199 A CB -1.426 17.504 19.000 -0.118 0.000 0.818 199 A HN 0.421 nan 8.150 nan 0.000 0.445 200 F N -1.588 118.448 119.950 0.144 0.000 2.163 200 F HA 0.009 4.536 4.527 0.000 0.000 0.297 200 F C 1.972 177.788 175.800 0.026 0.000 1.094 200 F CA 0.432 58.485 58.000 0.088 0.000 1.290 200 F CB -1.104 37.947 39.000 0.086 0.000 1.017 200 F HN 0.329 nan 8.300 nan 0.000 0.483 201 F N 0.855 120.827 119.950 0.036 0.000 2.046 201 F HA -0.196 4.331 4.527 -0.000 0.000 0.297 201 F C 2.433 178.110 175.800 -0.206 0.000 1.123 201 F CA 1.591 59.305 58.000 -0.476 0.000 1.199 201 F CB -0.890 37.943 39.000 -0.279 0.000 0.972 201 F HN -0.066 nan 8.300 nan 0.000 0.474 202 A N 0.026 122.959 122.820 0.189 0.000 1.869 202 A HA -0.377 3.943 4.320 -0.000 0.000 0.218 202 A C 2.243 179.841 177.584 0.024 0.000 1.203 202 A CA 2.321 54.490 52.037 0.221 0.000 0.638 202 A CB -1.454 17.678 19.000 0.220 0.000 0.831 202 A HN 0.655 nan 8.150 nan 0.000 0.450 203 Q N -1.389 118.399 119.800 -0.021 0.000 2.045 203 Q HA -0.337 4.003 4.340 -0.000 0.000 0.206 203 Q C 2.045 177.856 176.000 -0.316 0.000 0.991 203 Q CA 2.515 58.210 55.803 -0.180 0.000 0.851 203 Q CB -0.386 28.266 28.738 -0.143 0.000 0.911 203 Q HN 0.882 nan 8.270 nan 0.000 0.418 204 H N -0.582 118.244 119.070 -0.405 0.000 2.289 204 H HA -0.205 4.351 4.556 -0.000 0.000 0.296 204 H C 1.708 176.959 175.328 -0.128 0.000 1.091 204 H CA 2.281 58.038 56.048 -0.485 0.000 1.274 204 H CB -0.613 28.812 29.762 -0.560 0.000 1.364 204 H HN 0.422 nan 8.280 nan 0.000 0.490 205 F N 1.284 120.998 119.950 -0.392 0.000 2.075 205 F HA -0.204 4.323 4.527 -0.000 0.000 0.297 205 F C 2.679 178.111 175.800 -0.613 0.000 1.113 205 F CA 2.371 60.108 58.000 -0.439 0.000 1.218 205 F CB -1.063 37.656 39.000 -0.469 0.000 0.984 205 F HN 0.370 nan 8.300 nan 0.000 0.472 206 T N -2.789 111.357 114.554 -0.680 0.000 2.962 206 T HA -0.203 4.147 4.350 -0.000 0.000 0.270 206 T C 1.242 175.273 174.700 -1.114 0.000 1.088 206 T CA 1.514 62.818 62.100 -1.327 0.000 1.127 206 T CB -0.928 67.462 68.868 -0.796 0.000 0.883 206 T HN 0.384 nan 8.240 nan 0.000 0.493 207 H N 1.542 120.214 119.070 -0.662 0.000 2.607 207 H HA 0.220 4.776 4.556 -0.000 0.000 0.288 207 H C 2.068 177.102 175.328 -0.489 0.000 1.058 207 H CA 0.393 56.217 56.048 -0.373 0.000 1.178 207 H CB -0.259 29.551 29.762 0.081 0.000 1.340 207 H HN 0.776 nan 8.280 nan 0.000 0.591 208 Q N -0.481 118.828 119.800 -0.819 0.000 2.350 208 Q HA 0.020 4.360 4.340 -0.000 0.000 0.225 208 Q C 0.463 176.084 176.000 -0.631 0.000 0.878 208 Q CA 0.341 55.656 55.803 -0.814 0.000 0.935 208 Q CB 0.140 28.093 28.738 -1.308 0.000 1.099 208 Q HN 0.450 nan 8.270 nan 0.000 0.527 209 F N -2.275 117.279 119.950 -0.660 0.000 2.784 209 F HA 0.515 5.042 4.527 -0.000 0.000 0.323 209 F C -0.305 175.221 175.800 -0.458 0.000 1.085 209 F CA -1.122 56.510 58.000 -0.613 0.000 1.196 209 F CB 0.457 39.044 39.000 -0.689 0.000 1.053 209 F HN -0.220 nan 8.300 nan 0.000 0.578 210 F N 2.942 122.662 119.950 -0.382 0.000 2.361 210 F HA 0.588 5.115 4.527 -0.000 0.000 0.364 210 F C 0.296 175.908 175.800 -0.313 0.000 1.117 210 F CA -1.602 56.242 58.000 -0.260 0.000 1.071 210 F CB 1.378 40.068 39.000 -0.517 0.000 1.188 210 F HN -0.037 nan 8.300 nan 0.000 0.464 211 K N 1.995 122.427 120.400 0.054 0.000 3.333 211 K HA 0.148 4.468 4.320 -0.000 0.000 0.173 211 K C -0.702 175.896 176.600 -0.004 0.000 1.138 211 K CA -0.062 56.190 56.287 -0.058 0.000 0.771 211 K CB 0.602 33.023 32.500 -0.131 0.000 0.982 211 K HN 0.564 nan 8.250 nan 0.000 0.572 212 T N 0.780 115.395 114.554 0.101 0.000 2.908 212 T HA -0.066 4.284 4.350 -0.000 0.000 0.301 212 T C 0.391 175.116 174.700 0.043 0.000 1.019 212 T CA 0.560 62.741 62.100 0.135 0.000 1.152 212 T CB 1.050 70.035 68.868 0.195 0.000 0.966 212 T HN 0.207 nan 8.240 nan 0.000 0.540 213 S N 2.466 118.185 115.700 0.031 0.000 2.423 213 S HA 0.301 4.771 4.470 -0.000 0.000 0.302 213 S C 1.681 176.299 174.600 0.029 0.000 1.143 213 S CA -0.484 57.722 58.200 0.010 0.000 1.080 213 S CB -0.156 63.035 63.200 -0.014 0.000 1.081 213 S HN 0.853 nan 8.310 nan 0.000 0.522 214 G N 4.954 113.763 108.800 0.014 0.000 2.432 214 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.219 214 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.219 214 G C 1.572 176.475 174.900 0.004 0.000 1.135 214 G CA 0.563 45.671 45.100 0.014 0.000 0.767 214 G HN 0.751 nan 8.290 nan 0.000 0.550 215 K N -0.078 120.314 120.400 -0.015 0.000 2.296 215 K HA 0.188 4.508 4.320 -0.000 0.000 0.200 215 K C 2.057 178.619 176.600 -0.064 0.000 1.048 215 K CA 0.427 56.693 56.287 -0.034 0.000 0.966 215 K CB -0.258 32.216 32.500 -0.043 0.000 0.754 215 K HN 0.313 nan 8.250 nan 0.000 0.466 216 M N 0.606 120.162 119.600 -0.073 0.000 2.466 216 M HA 0.111 4.591 4.480 -0.000 0.000 0.265 216 M C 0.514 176.828 176.300 0.024 0.000 1.122 216 M CA 0.896 56.099 55.300 -0.162 0.000 1.157 216 M CB 0.188 32.602 32.600 -0.310 0.000 1.352 216 M HN 0.401 nan 8.290 nan 0.000 0.464 217 G N 0.919 109.798 108.800 0.130 0.000 2.555 217 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.686 217 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.686 217 G C -3.190 171.850 174.900 0.232 0.000 1.275 217 G CA -1.357 43.854 45.100 0.185 0.000 0.871 217 G HN 0.011 nan 8.290 nan 0.000 0.603 218 P HA 0.390 nan 4.420 nan 0.000 0.267 218 P C 1.140 178.435 177.300 -0.008 0.000 1.200 218 P CA 2.124 65.270 63.100 0.076 0.000 0.772 218 P CB 0.746 32.465 31.700 0.030 0.000 0.855 219 G N 0.041 108.862 108.800 0.035 0.000 2.176 219 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.253 219 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.253 219 G C -0.280 174.356 174.900 -0.440 0.000 0.979 219 G CA -0.445 44.587 45.100 -0.113 0.000 0.641 219 G HN 0.381 nan 8.290 nan 0.000 0.530 220 F N 0.829 120.776 119.950 -0.006 0.000 2.477 220 F HA 0.710 5.237 4.527 -0.000 0.000 0.335 220 F C 0.393 175.973 175.800 -0.367 0.000 1.130 220 F CA -0.438 57.416 58.000 -0.244 0.000 0.948 220 F CB 2.346 41.199 39.000 -0.246 0.000 1.154 220 F HN 0.057 nan 8.300 nan 0.000 0.439 221 T N 1.827 116.103 114.554 -0.463 0.000 2.912 221 T HA 0.389 4.739 4.350 -0.000 0.000 0.288 221 T C 0.648 175.185 174.700 -0.273 0.000 1.030 221 T CA -0.595 61.163 62.100 -0.569 0.000 1.020 221 T CB 1.251 69.439 68.868 -1.134 0.000 1.056 221 T HN 0.720 nan 8.240 nan 0.000 0.480 222 K N 1.748 122.031 120.400 -0.195 0.000 2.361 222 K HA 0.309 4.629 4.320 -0.000 0.000 0.194 222 K C 0.821 177.334 176.600 -0.144 0.000 1.032 222 K CA -0.046 56.161 56.287 -0.134 0.000 1.048 222 K CB 0.502 32.944 32.500 -0.096 0.000 0.842 222 K HN 0.531 nan 8.250 nan 0.000 0.526 223 A N 2.712 125.412 122.820 -0.200 0.000 3.037 223 A HA 0.224 4.544 4.320 -0.000 0.000 0.272 223 A C 0.130 177.607 177.584 -0.178 0.000 1.723 223 A CA -0.326 51.594 52.037 -0.195 0.000 1.413 223 A CB -0.777 18.088 19.000 -0.225 0.000 1.112 223 A HN 0.164 nan 8.150 nan 0.000 0.606 224 L N 0.581 121.765 121.223 -0.064 0.000 2.426 224 L HA 0.502 4.842 4.340 -0.000 0.000 0.271 224 L C 1.418 178.329 176.870 0.068 0.000 1.169 224 L CA 0.688 55.579 54.840 0.085 0.000 0.836 224 L CB 0.501 42.578 42.059 0.030 0.000 1.112 224 L HN 0.753 nan 8.230 nan 0.000 0.465 225 G N 0.207 109.108 108.800 0.168 0.000 2.905 225 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.196 225 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.196 225 G C 0.417 175.384 174.900 0.111 0.000 1.044 225 G CA -0.122 45.014 45.100 0.059 0.000 0.778 225 G HN 0.819 nan 8.290 nan 0.000 0.474 226 H N 1.122 120.142 119.070 -0.084 0.000 2.594 226 H HA -0.128 4.428 4.556 -0.000 0.000 0.316 226 H C 1.125 176.370 175.328 -0.138 0.000 1.107 226 H CA 1.650 57.649 56.048 -0.081 0.000 1.133 226 H CB -1.340 28.375 29.762 -0.078 0.000 1.459 226 H HN 1.784 nan 8.280 nan 0.000 0.411 227 G N -1.456 107.293 108.800 -0.086 0.000 2.393 227 G HA2 0.273 4.233 3.960 -0.000 0.000 0.264 227 G HA3 0.273 4.233 3.960 -0.000 0.000 0.264 227 G C -0.734 174.089 174.900 -0.129 0.000 1.221 227 G CA -0.218 44.768 45.100 -0.190 0.000 0.912 227 G HN 0.094 nan 8.290 nan 0.000 0.483 228 V N 2.577 122.428 119.914 -0.105 0.000 2.153 228 V HA 0.213 4.333 4.120 -0.000 0.000 0.250 228 V C 0.520 176.588 176.094 -0.043 0.000 1.334 228 V CA 0.689 62.945 62.300 -0.073 0.000 1.249 228 V CB 0.118 31.961 31.823 0.033 0.000 1.371 228 V HN 0.728 nan 8.190 nan 0.000 0.498 229 D N 2.598 122.950 120.400 -0.080 0.000 2.340 229 D HA 0.006 4.646 4.640 -0.000 0.000 0.217 229 D C 1.038 177.340 176.300 0.003 0.000 1.081 229 D CA -0.653 53.334 54.000 -0.022 0.000 0.842 229 D CB 0.263 41.048 40.800 -0.024 0.000 0.934 229 D HN 0.234 nan 8.370 nan 0.000 0.511 230 L N 0.220 121.397 121.223 -0.077 0.000 3.839 230 L HA -0.165 4.175 4.340 -0.000 0.000 0.416 230 L C 1.545 178.474 176.870 0.099 0.000 1.195 230 L CA 0.709 55.546 54.840 -0.005 0.000 0.946 230 L CB -1.595 40.553 42.059 0.149 0.000 1.891 230 L HN 0.356 nan 8.230 nan 0.000 0.963 231 G N -1.419 107.338 108.800 -0.072 0.000 2.848 231 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.208 231 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.208 231 G C 1.021 175.886 174.900 -0.057 0.000 1.152 231 G CA 0.551 45.642 45.100 -0.014 0.000 0.789 231 G HN 0.810 nan 8.290 nan 0.000 0.531 232 H N -0.749 118.147 119.070 -0.288 0.000 2.539 232 H HA 0.310 4.866 4.556 -0.000 0.000 0.267 232 H C 1.725 176.845 175.328 -0.346 0.000 0.982 232 H CA -0.733 55.062 56.048 -0.421 0.000 1.146 232 H CB -0.292 29.140 29.762 -0.549 0.000 1.382 232 H HN 0.418 nan 8.280 nan 0.000 0.577 233 I N -1.002 119.499 120.570 -0.114 0.000 3.445 233 I HA -0.023 4.147 4.170 -0.000 0.000 0.288 233 I C 0.733 176.550 176.117 -0.499 0.000 1.198 233 I CA 0.250 61.305 61.300 -0.408 0.000 1.417 233 I CB 0.286 37.879 38.000 -0.678 0.000 1.205 233 I HN 0.034 nan 8.210 nan 0.000 0.448 234 Y N 1.323 121.645 120.300 0.036 0.000 2.467 234 Y HA 0.498 5.048 4.550 -0.000 0.000 0.250 234 Y C 1.111 177.016 175.900 0.009 0.000 1.155 234 Y CA -0.123 58.011 58.100 0.057 0.000 1.249 234 Y CB 0.040 38.582 38.460 0.136 0.000 1.146 234 Y HN 0.109 nan 8.280 nan 0.000 0.524 235 G N 1.488 110.315 108.800 0.044 0.000 2.705 235 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.686 235 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.686 235 G C -0.155 174.738 174.900 -0.011 0.000 1.285 235 G CA -0.273 44.819 45.100 -0.014 0.000 0.800 235 G HN 0.395 nan 8.290 nan 0.000 0.611 236 D N 0.449 120.815 120.400 -0.057 0.000 2.434 236 D HA 0.094 4.734 4.640 -0.000 0.000 0.232 236 D C 0.522 176.790 176.300 -0.053 0.000 1.166 236 D CA 0.407 54.370 54.000 -0.061 0.000 0.830 236 D CB -0.514 40.230 40.800 -0.092 0.000 0.960 236 D HN 0.895 nan 8.370 nan 0.000 0.497 237 N N -0.461 118.211 118.700 -0.048 0.000 2.928 237 N HA -0.016 4.724 4.740 -0.000 0.000 0.247 237 N C 0.442 175.894 175.510 -0.097 0.000 1.141 237 N CA -0.684 52.327 53.050 -0.066 0.000 0.977 237 N CB 1.027 39.476 38.487 -0.063 0.000 1.663 237 N HN -0.136 nan 8.380 nan 0.000 0.509 238 L N 0.904 122.036 121.223 -0.151 0.000 2.011 238 L HA -0.340 4.000 4.340 -0.000 0.000 0.225 238 L C 1.913 178.575 176.870 -0.347 0.000 1.084 238 L CA 2.410 57.059 54.840 -0.317 0.000 0.791 238 L CB -0.310 41.538 42.059 -0.351 0.000 0.898 238 L HN 0.662 nan 8.230 nan 0.000 0.440 239 E N -0.539 119.555 120.200 -0.178 0.000 2.048 239 E HA -0.300 4.050 4.350 -0.000 0.000 0.202 239 E C 2.089 178.683 176.600 -0.009 0.000 1.021 239 E CA 1.737 58.109 56.400 -0.046 0.000 0.825 239 E CB -0.390 29.305 29.700 -0.009 0.000 0.756 239 E HN 0.332 nan 8.360 nan 0.000 0.454 240 R N 0.490 120.970 120.500 -0.033 0.000 2.105 240 R HA -0.215 4.125 4.340 -0.000 0.000 0.239 240 R C 2.419 178.717 176.300 -0.003 0.000 1.135 240 R CA 1.767 57.856 56.100 -0.018 0.000 0.967 240 R CB -0.101 30.178 30.300 -0.035 0.000 0.861 240 R HN 0.307 nan 8.270 nan 0.000 0.442 241 Q N -0.626 119.165 119.800 -0.015 0.000 2.016 241 Q HA -0.209 4.131 4.340 -0.000 0.000 0.200 241 Q C 1.628 177.641 176.000 0.022 0.000 0.978 241 Q CA 1.472 57.292 55.803 0.027 0.000 0.833 241 Q CB -0.190 28.561 28.738 0.020 0.000 0.895 241 Q HN 0.394 nan 8.270 nan 0.000 0.427 242 Y N 1.058 121.314 120.300 -0.073 0.000 2.193 242 Y HA -0.251 4.299 4.550 0.000 0.000 0.285 242 Y C 2.476 178.274 175.900 -0.170 0.000 1.166 242 Y CA 1.532 59.567 58.100 -0.108 0.000 1.181 242 Y CB -0.811 37.726 38.460 0.128 0.000 0.976 242 Y HN 0.299 nan 8.280 nan 0.000 0.520 243 Q N -0.294 119.556 119.800 0.082 0.000 2.124 243 Q HA -0.118 4.222 4.340 -0.000 0.000 0.202 243 Q C 1.798 177.767 176.000 -0.051 0.000 0.977 243 Q CA 1.276 57.089 55.803 0.017 0.000 0.850 243 Q CB -0.357 28.392 28.738 0.019 0.000 0.901 243 Q HN 0.307 nan 8.270 nan 0.000 0.429 244 L N -0.202 120.983 121.223 -0.063 0.000 2.509 244 L HA 0.148 4.488 4.340 -0.000 0.000 0.222 244 L C 0.404 177.187 176.870 -0.145 0.000 1.123 244 L CA 0.776 55.576 54.840 -0.068 0.000 0.856 244 L CB -0.372 41.676 42.059 -0.018 0.000 0.985 244 L HN 0.020 nan 8.230 nan 0.000 0.456 245 R N -0.286 120.019 120.500 -0.325 0.000 2.490 245 R HA 0.104 4.444 4.340 -0.000 0.000 0.280 245 R C 1.209 177.191 176.300 -0.531 0.000 1.077 245 R CA -0.286 55.475 56.100 -0.565 0.000 1.065 245 R CB 1.053 30.672 30.300 -1.134 0.000 1.003 245 R HN 0.053 nan 8.270 nan 0.000 0.470 246 L N 2.710 123.756 121.223 -0.295 0.000 2.240 246 L HA -0.027 4.313 4.340 -0.000 0.000 0.211 246 L C -0.107 176.749 176.870 -0.023 0.000 1.106 246 L CA 1.037 55.808 54.840 -0.115 0.000 0.793 246 L CB 0.031 42.108 42.059 0.029 0.000 0.927 246 L HN 0.736 nan 8.230 nan 0.000 0.446 247 F N 0.632 120.561 119.950 -0.036 0.000 3.080 247 F HA -0.244 4.283 4.527 -0.000 0.000 0.292 247 F C 0.507 176.302 175.800 -0.008 0.000 0.891 247 F CA 0.920 58.885 58.000 -0.058 0.000 1.086 247 F CB -1.612 37.322 39.000 -0.109 0.000 1.095 247 F HN 0.230 nan 8.300 nan 0.000 0.633 248 K N 0.039 120.561 120.400 0.204 0.000 2.575 248 K HA 0.424 4.744 4.320 -0.000 0.000 0.255 248 K C -0.036 176.670 176.600 0.177 0.000 0.953 248 K CA -0.247 56.136 56.287 0.161 0.000 0.840 248 K CB 1.134 33.708 32.500 0.123 0.000 1.303 248 K HN -0.094 nan 8.250 nan 0.000 0.438 249 D N 2.898 123.404 120.400 0.176 0.000 3.039 249 D HA -0.200 4.440 4.640 -0.000 0.000 0.222 249 D C 0.756 177.199 176.300 0.238 0.000 1.179 249 D CA 2.302 56.416 54.000 0.189 0.000 0.880 249 D CB -1.081 39.815 40.800 0.160 0.000 1.115 249 D HN 1.083 nan 8.370 nan 0.000 0.416 250 G N -1.407 107.561 108.800 0.280 0.000 2.184 250 G HA2 -0.431 3.529 3.960 -0.000 0.000 0.264 250 G HA3 -0.431 3.529 3.960 -0.000 0.000 0.264 250 G C 0.575 175.766 174.900 0.485 0.000 0.975 250 G CA 0.857 46.189 45.100 0.386 0.000 0.642 250 G HN 0.487 nan 8.290 nan 0.000 0.536 251 K N -0.705 119.911 120.400 0.361 0.000 2.234 251 K HA 0.601 4.921 4.320 -0.000 0.000 0.251 251 K C 0.213 177.013 176.600 0.333 0.000 1.011 251 K CA -0.254 56.269 56.287 0.395 0.000 0.889 251 K CB 0.293 32.982 32.500 0.315 0.000 1.011 251 K HN 0.129 nan 8.250 nan 0.000 0.505 252 L N 1.729 123.147 121.223 0.325 0.000 2.322 252 L HA 0.307 4.647 4.340 -0.000 0.000 0.281 252 L C -0.495 176.503 176.870 0.213 0.000 1.014 252 L CA -0.191 54.747 54.840 0.163 0.000 0.815 252 L CB 1.489 43.592 42.059 0.073 0.000 1.247 252 L HN 0.461 nan 8.230 nan 0.000 0.421 253 K N 3.717 124.154 120.400 0.061 0.000 2.527 253 K HA 0.238 4.558 4.320 -0.000 0.000 0.278 253 K C -1.154 175.507 176.600 0.101 0.000 0.981 253 K CA 0.698 56.977 56.287 -0.013 0.000 1.009 253 K CB 0.358 32.819 32.500 -0.066 0.000 0.895 253 K HN 0.591 nan 8.250 nan 0.000 0.493 254 Y N -1.881 118.438 120.300 0.031 0.000 2.871 254 Y HA 0.298 4.848 4.550 -0.000 0.000 0.331 254 Y C -1.419 174.510 175.900 0.048 0.000 1.378 254 Y CA -1.339 56.788 58.100 0.044 0.000 1.079 254 Y CB 0.966 39.454 38.460 0.046 0.000 1.441 254 Y HN 0.620 nan 8.280 nan 0.000 0.446 255 Q N 1.215 121.212 119.800 0.329 0.000 2.501 255 Q HA 0.703 5.043 4.340 -0.000 0.000 0.288 255 Q C -1.793 174.408 176.000 0.335 0.000 1.051 255 Q CA -1.255 54.679 55.803 0.217 0.000 0.788 255 Q CB 2.894 31.706 28.738 0.124 0.000 1.469 255 Q HN 0.670 nan 8.270 nan 0.000 0.416 256 M N 2.268 122.010 119.600 0.237 0.000 2.294 256 M HA 0.548 5.028 4.480 -0.000 0.000 0.335 256 M C -1.222 175.195 176.300 0.196 0.000 1.079 256 M CA -0.466 54.963 55.300 0.215 0.000 0.982 256 M CB 1.247 33.946 32.600 0.165 0.000 1.651 256 M HN 0.661 nan 8.290 nan 0.000 0.437 257 L N 3.645 125.027 121.223 0.264 0.000 2.438 257 L HA 0.407 4.747 4.340 -0.000 0.000 0.270 257 L C -0.133 176.858 176.870 0.202 0.000 0.972 257 L CA -0.705 54.252 54.840 0.195 0.000 0.831 257 L CB 1.915 44.057 42.059 0.138 0.000 1.273 257 L HN 0.757 nan 8.230 nan 0.000 0.405 258 N N 2.035 120.801 118.700 0.110 0.000 2.735 258 N HA -0.187 4.553 4.740 -0.000 0.000 0.248 258 N C 0.825 176.388 175.510 0.089 0.000 1.083 258 N CA 1.349 54.451 53.050 0.087 0.000 0.703 258 N CB -1.007 37.535 38.487 0.091 0.000 1.005 258 N HN 1.120 nan 8.380 nan 0.000 0.550 259 G N -0.773 108.077 108.800 0.084 0.000 2.338 259 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.296 259 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.296 259 G C -0.364 174.560 174.900 0.041 0.000 1.040 259 G CA 0.855 45.990 45.100 0.060 0.000 1.004 259 G HN 0.545 nan 8.290 nan 0.000 0.509 260 E N -1.442 118.792 120.200 0.056 0.000 2.390 260 E HA 0.416 4.766 4.350 -0.000 0.000 0.277 260 E C -0.298 176.205 176.600 -0.161 0.000 0.939 260 E CA -0.881 55.473 56.400 -0.077 0.000 0.769 260 E CB 2.426 32.068 29.700 -0.097 0.000 1.251 260 E HN 0.117 nan 8.360 nan 0.000 0.450 261 V N 3.003 122.722 119.914 -0.325 0.000 2.455 261 V HA 0.210 4.330 4.120 -0.000 0.000 0.273 261 V C -0.842 174.953 176.094 -0.498 0.000 1.045 261 V CA 0.195 62.321 62.300 -0.290 0.000 0.976 261 V CB -0.502 31.120 31.823 -0.334 0.000 0.993 261 V HN 0.469 nan 8.190 nan 0.000 0.475 262 Y N 4.608 124.956 120.300 0.080 0.000 2.576 262 Y HA 0.502 5.052 4.550 -0.000 0.000 0.346 262 Y C -2.264 173.704 175.900 0.113 0.000 1.018 262 Y CA -2.790 55.353 58.100 0.070 0.000 1.050 262 Y CB 1.974 40.466 38.460 0.054 0.000 1.280 262 Y HN 0.423 nan 8.280 nan 0.000 0.474 263 P HA -0.045 nan 4.420 nan 0.000 0.269 263 P C -2.466 174.937 177.300 0.171 0.000 1.205 263 P CA -0.440 62.775 63.100 0.191 0.000 0.780 263 P CB -0.023 31.771 31.700 0.156 0.000 0.858 264 P HA 0.021 nan 4.420 nan 0.000 0.275 264 P C -0.501 176.825 177.300 0.043 0.000 1.266 264 P CA -0.057 63.081 63.100 0.064 0.000 0.793 264 P CB 0.467 32.179 31.700 0.020 0.000 1.074 265 S N -0.927 114.780 115.700 0.012 0.000 2.610 265 S HA 0.145 4.615 4.470 -0.000 0.000 0.273 265 S C 1.333 175.923 174.600 -0.017 0.000 1.274 265 S CA -0.709 57.485 58.200 -0.010 0.000 1.023 265 S CB 0.417 63.601 63.200 -0.026 0.000 0.962 265 S HN 0.209 nan 8.310 nan 0.000 0.523 266 V N 1.620 121.514 119.914 -0.032 0.000 2.867 266 V HA -0.114 4.006 4.120 -0.000 0.000 0.260 266 V C 2.570 178.646 176.094 -0.030 0.000 1.099 266 V CA 2.139 64.423 62.300 -0.027 0.000 1.122 266 V CB -1.247 30.549 31.823 -0.044 0.000 0.708 266 V HN 1.032 nan 8.190 nan 0.000 0.490 267 E N -0.216 119.962 120.200 -0.036 0.000 2.051 267 E HA -0.174 4.176 4.350 -0.000 0.000 0.189 267 E C 2.238 178.823 176.600 -0.025 0.000 0.979 267 E CA 0.858 57.239 56.400 -0.031 0.000 0.803 267 E CB 0.119 29.799 29.700 -0.034 0.000 0.761 267 E HN 0.512 nan 8.360 nan 0.000 0.451 268 E N 0.257 120.441 120.200 -0.026 0.000 2.028 268 E HA -0.058 4.292 4.350 -0.000 0.000 0.191 268 E C 0.238 176.822 176.600 -0.026 0.000 0.988 268 E CA 0.960 57.342 56.400 -0.029 0.000 0.799 268 E CB 0.026 29.703 29.700 -0.038 0.000 0.755 268 E HN 0.178 nan 8.360 nan 0.000 0.447 269 A N 2.648 125.455 122.820 -0.021 0.000 2.508 269 A HA 0.303 4.623 4.320 -0.000 0.000 0.336 269 A C -2.322 175.255 177.584 -0.012 0.000 1.360 269 A CA -1.485 50.541 52.037 -0.018 0.000 0.841 269 A CB 0.443 19.432 19.000 -0.018 0.000 1.136 269 A HN -0.113 nan 8.150 nan 0.000 0.489 270 P HA 0.065 nan 4.420 nan 0.000 0.238 270 P C -0.123 177.172 177.300 -0.009 0.000 1.729 270 P CA 0.649 63.743 63.100 -0.010 0.000 1.055 270 P CB 0.155 31.850 31.700 -0.007 0.000 1.980 271 V N 4.070 123.977 119.914 -0.012 0.000 2.667 271 V HA 0.273 4.393 4.120 -0.000 0.000 0.308 271 V C -0.070 176.004 176.094 -0.032 0.000 1.048 271 V CA -1.494 60.794 62.300 -0.020 0.000 0.928 271 V CB 2.117 33.928 31.823 -0.021 0.000 1.004 271 V HN 0.129 nan 8.190 nan 0.000 0.444 272 L N 7.044 128.233 121.223 -0.056 0.000 2.513 272 L HA 0.271 4.611 4.340 -0.000 0.000 0.272 272 L C -0.391 176.391 176.870 -0.145 0.000 1.187 272 L CA 0.948 55.731 54.840 -0.096 0.000 0.895 272 L CB 0.753 42.741 42.059 -0.119 0.000 1.147 272 L HN 0.710 nan 8.230 nan 0.000 0.483 273 M N 4.673 124.202 119.600 -0.119 0.000 2.658 273 M HA 0.377 4.857 4.480 -0.000 0.000 0.295 273 M C -0.761 175.456 176.300 -0.139 0.000 1.248 273 M CA -0.654 54.594 55.300 -0.088 0.000 0.843 273 M CB 1.930 34.651 32.600 0.202 0.000 1.749 273 M HN 0.420 nan 8.290 nan 0.000 0.464 274 H N 1.522 120.623 119.070 0.051 0.000 2.638 274 H HA 0.506 5.062 4.556 -0.000 0.000 0.303 274 H C -1.474 173.830 175.328 -0.041 0.000 1.034 274 H CA -0.004 56.068 56.048 0.040 0.000 1.225 274 H CB 0.429 30.199 29.762 0.013 0.000 1.394 274 H HN 0.450 nan 8.280 nan 0.000 0.477 275 Y N 2.350 122.777 120.300 0.211 0.000 2.553 275 Y HA 0.259 4.809 4.550 0.000 0.000 0.347 275 Y C -1.937 174.035 175.900 0.120 0.000 1.019 275 Y CA -2.041 56.172 58.100 0.188 0.000 1.032 275 Y CB 1.868 40.395 38.460 0.112 0.000 1.284 275 Y HN 0.478 nan 8.280 nan 0.000 0.466 276 P HA 0.139 nan 4.420 nan 0.000 0.271 276 P C -0.626 176.710 177.300 0.059 0.000 1.218 276 P CA -0.389 62.726 63.100 0.025 0.000 0.780 276 P CB 0.765 32.359 31.700 -0.176 0.000 0.901 277 R N 1.138 121.655 120.500 0.027 0.000 2.583 277 R HA 0.204 4.544 4.340 -0.000 0.000 0.274 277 R C 1.570 177.875 176.300 0.009 0.000 0.998 277 R CA 1.312 57.426 56.100 0.024 0.000 1.081 277 R CB -0.972 29.334 30.300 0.010 0.000 0.940 277 R HN 0.956 nan 8.270 nan 0.000 0.413 278 G N 1.929 110.734 108.800 0.008 0.000 2.284 278 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.216 278 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.216 278 G C 0.323 175.219 174.900 -0.007 0.000 1.009 278 G CA -0.361 44.738 45.100 -0.002 0.000 0.625 278 G HN 0.503 nan 8.290 nan 0.000 0.501 279 I N 4.497 125.068 120.570 0.001 0.000 2.471 279 I HA 0.260 4.430 4.170 -0.000 0.000 0.286 279 I C -1.392 174.678 176.117 -0.077 0.000 1.079 279 I CA -1.644 59.638 61.300 -0.031 0.000 1.398 279 I CB 0.987 38.985 38.000 -0.005 0.000 1.403 279 I HN 0.061 nan 8.210 nan 0.000 0.530 280 P HA 0.219 nan 4.420 nan 0.000 0.277 280 P C -2.426 174.790 177.300 -0.141 0.000 1.240 280 P CA -1.682 61.364 63.100 -0.091 0.000 0.798 280 P CB 0.604 32.263 31.700 -0.068 0.000 0.979 281 P HA -0.164 nan 4.420 nan 0.000 0.218 281 P C 1.512 178.740 177.300 -0.120 0.000 1.148 281 P CA 1.667 64.697 63.100 -0.117 0.000 0.822 281 P CB -0.172 31.488 31.700 -0.068 0.000 0.784 282 Q N -1.147 118.597 119.800 -0.093 0.000 2.515 282 Q HA 0.083 4.423 4.340 -0.000 0.000 0.212 282 Q C 0.666 176.608 176.000 -0.096 0.000 0.970 282 Q CA 1.102 56.859 55.803 -0.078 0.000 0.941 282 Q CB -0.615 28.091 28.738 -0.054 0.000 0.998 282 Q HN 0.170 nan 8.270 nan 0.000 0.518 283 S N -0.062 115.548 115.700 -0.149 0.000 2.780 283 S HA 0.178 4.648 4.470 -0.000 0.000 0.248 283 S C -0.168 174.260 174.600 -0.288 0.000 1.036 283 S CA -0.376 57.725 58.200 -0.166 0.000 1.061 283 S CB 0.653 63.771 63.200 -0.136 0.000 1.037 283 S HN 0.331 nan 8.310 nan 0.000 0.584 284 Q N 1.024 120.601 119.800 -0.373 0.000 2.312 284 Q HA 0.552 4.892 4.340 -0.000 0.000 0.263 284 Q C -0.966 174.944 176.000 -0.149 0.000 0.995 284 Q CA -0.141 55.298 55.803 -0.607 0.000 0.853 284 Q CB 1.793 29.988 28.738 -0.905 0.000 1.300 284 Q HN 0.278 nan 8.270 nan 0.000 0.448 285 M N 1.727 121.380 119.600 0.088 0.000 2.157 285 M HA 0.455 4.935 4.480 -0.000 0.000 0.354 285 M C -0.432 175.964 176.300 0.161 0.000 1.170 285 M CA -0.583 54.794 55.300 0.129 0.000 1.060 285 M CB 1.469 34.158 32.600 0.149 0.000 1.615 285 M HN 0.672 nan 8.290 nan 0.000 0.460 286 A N 3.344 126.218 122.820 0.090 0.000 2.362 286 A HA 0.514 4.834 4.320 -0.000 0.000 0.276 286 A C 0.660 178.276 177.584 0.054 0.000 1.153 286 A CA -0.551 51.523 52.037 0.062 0.000 0.813 286 A CB 0.127 19.144 19.000 0.028 0.000 1.081 286 A HN 0.899 nan 8.150 nan 0.000 0.507 287 V N -0.432 119.499 119.914 0.029 0.000 3.161 287 V HA 0.656 4.776 4.120 -0.000 0.000 0.228 287 V C 1.071 177.125 176.094 -0.067 0.000 1.415 287 V CA 0.999 63.303 62.300 0.007 0.000 1.285 287 V CB -0.326 31.534 31.823 0.060 0.000 1.100 287 V HN 1.906 nan 8.190 nan 0.000 0.478 288 G N -0.460 108.271 108.800 -0.115 0.000 3.514 288 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.197 288 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.197 288 G C 0.128 174.879 174.900 -0.248 0.000 1.098 288 G CA 0.252 45.262 45.100 -0.151 0.000 0.884 288 G HN 0.424 nan 8.290 nan 0.000 0.433 289 Q N 1.555 121.095 119.800 -0.433 0.000 2.509 289 Q HA 0.451 4.791 4.340 -0.000 0.000 0.236 289 Q C 1.115 176.884 176.000 -0.384 0.000 1.073 289 Q CA -0.158 55.255 55.803 -0.649 0.000 0.867 289 Q CB 1.325 29.029 28.738 -1.725 0.000 1.181 289 Q HN 0.574 nan 8.270 nan 0.000 0.526 290 E N 0.994 121.075 120.200 -0.200 0.000 2.197 290 E HA -0.234 4.116 4.350 -0.000 0.000 0.205 290 E C 1.488 178.100 176.600 0.020 0.000 1.029 290 E CA 1.610 57.937 56.400 -0.122 0.000 0.828 290 E CB -0.142 29.446 29.700 -0.187 0.000 0.737 290 E HN 0.354 nan 8.360 nan 0.000 0.464 291 V N -0.185 119.797 119.914 0.113 0.000 2.719 291 V HA -0.120 4.000 4.120 -0.000 0.000 0.252 291 V C 1.129 177.333 176.094 0.182 0.000 1.065 291 V CA 0.831 63.242 62.300 0.185 0.000 1.086 291 V CB -0.397 31.557 31.823 0.218 0.000 0.700 291 V HN 0.192 nan 8.190 nan 0.000 0.467 292 F N 1.601 121.504 119.950 -0.078 0.000 2.481 292 F HA -0.034 4.493 4.527 -0.000 0.000 0.297 292 F C 2.197 177.874 175.800 -0.205 0.000 1.095 292 F CA 0.863 58.790 58.000 -0.123 0.000 1.465 292 F CB -1.507 37.459 39.000 -0.058 0.000 1.098 292 F HN 0.312 nan 8.300 nan 0.000 0.585 293 G N -0.430 108.294 108.800 -0.126 0.000 2.712 293 G HA2 0.008 3.968 3.960 -0.000 0.000 0.212 293 G HA3 0.008 3.968 3.960 -0.000 0.000 0.212 293 G C 1.017 175.644 174.900 -0.454 0.000 1.142 293 G CA -0.109 44.758 45.100 -0.387 0.000 0.789 293 G HN 0.327 nan 8.290 nan 0.000 0.535 294 L N 0.516 121.472 121.223 -0.445 0.000 2.990 294 L HA 0.609 4.949 4.340 -0.000 0.000 0.231 294 L C -0.494 175.951 176.870 -0.708 0.000 1.341 294 L CA -0.057 54.363 54.840 -0.700 0.000 1.208 294 L CB -0.118 41.468 42.059 -0.789 0.000 1.571 294 L HN -0.019 nan 8.230 nan 0.000 0.453 295 L N -0.077 120.767 121.223 -0.631 0.000 5.191 295 L HA 0.029 4.369 4.340 -0.000 0.000 0.247 295 L C -2.017 174.384 176.870 -0.782 0.000 1.137 295 L CA -0.665 53.688 54.840 -0.811 0.000 1.068 295 L CB 1.757 43.409 42.059 -0.678 0.000 1.770 295 L HN -0.053 nan 8.230 nan 0.000 0.486 296 P HA -0.185 nan 4.420 nan 0.000 0.216 296 P C 1.461 178.452 177.300 -0.516 0.000 1.157 296 P CA 2.017 64.788 63.100 -0.548 0.000 0.880 296 P CB 0.253 31.688 31.700 -0.443 0.000 0.791 297 G N -0.633 107.619 108.800 -0.914 0.000 2.547 297 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.221 297 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.221 297 G C 1.359 175.843 174.900 -0.694 0.000 1.140 297 G CA 0.918 45.207 45.100 -1.351 0.000 0.760 297 G HN 0.154 nan 8.290 nan 0.000 0.583 298 L N -0.514 120.328 121.223 -0.635 0.000 1.993 298 L HA 0.180 4.520 4.340 -0.000 0.000 0.206 298 L C 2.754 179.453 176.870 -0.286 0.000 1.074 298 L CA 1.749 56.287 54.840 -0.503 0.000 0.746 298 L CB -0.939 40.711 42.059 -0.682 0.000 0.896 298 L HN 0.226 nan 8.230 nan 0.000 0.435 299 M N -1.026 118.449 119.600 -0.209 0.000 2.337 299 M HA -0.198 4.282 4.480 -0.000 0.000 0.261 299 M C 1.867 178.145 176.300 -0.037 0.000 1.067 299 M CA 1.359 56.627 55.300 -0.053 0.000 1.074 299 M CB -0.454 32.117 32.600 -0.047 0.000 1.395 299 M HN 0.217 nan 8.290 nan 0.000 0.431 300 L N -1.163 119.995 121.223 -0.109 0.000 1.988 300 L HA -0.224 4.116 4.340 -0.000 0.000 0.207 300 L C 1.915 178.706 176.870 -0.131 0.000 1.071 300 L CA 2.039 56.822 54.840 -0.095 0.000 0.744 300 L CB -1.105 40.891 42.059 -0.105 0.000 0.893 300 L HN 0.264 nan 8.230 nan 0.000 0.433 301 Y N 0.546 120.708 120.300 -0.231 0.000 2.333 301 Y HA -0.153 4.397 4.550 -0.000 0.000 0.290 301 Y C 2.675 178.419 175.900 -0.260 0.000 1.144 301 Y CA 1.407 59.295 58.100 -0.354 0.000 1.228 301 Y CB -0.621 37.396 38.460 -0.738 0.000 0.985 301 Y HN 0.345 nan 8.280 nan 0.000 0.542 302 A N -1.216 121.605 122.820 0.002 0.000 2.014 302 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 302 A C 2.244 179.911 177.584 0.138 0.000 1.163 302 A CA 1.932 54.079 52.037 0.183 0.000 0.652 302 A CB -0.864 18.293 19.000 0.262 0.000 0.808 302 A HN 0.378 nan 8.150 nan 0.000 0.449 303 T N 0.317 114.917 114.554 0.076 0.000 2.851 303 T HA -0.006 4.344 4.350 -0.000 0.000 0.262 303 T C 1.802 176.496 174.700 -0.010 0.000 1.043 303 T CA 1.296 63.427 62.100 0.051 0.000 1.140 303 T CB -0.353 68.554 68.868 0.066 0.000 0.872 303 T HN 0.427 nan 8.240 nan 0.000 0.446 304 I N -0.470 120.062 120.570 -0.063 0.000 2.127 304 I HA -0.211 3.959 4.170 -0.000 0.000 0.241 304 I C 2.283 178.319 176.117 -0.134 0.000 1.075 304 I CA 1.608 62.813 61.300 -0.158 0.000 1.334 304 I CB -0.438 37.403 38.000 -0.265 0.000 1.040 304 I HN 0.320 nan 8.210 nan 0.000 0.405 305 W N 0.824 122.154 121.300 0.049 0.000 2.342 305 W HA -0.182 4.478 4.660 -0.000 0.000 0.297 305 W C 2.540 179.100 176.519 0.068 0.000 1.213 305 W CA 0.817 58.205 57.345 0.071 0.000 1.251 305 W CB -0.293 29.202 29.460 0.058 0.000 1.136 305 W HN 0.147 nan 8.180 nan 0.000 0.526 306 L N 0.588 121.944 121.223 0.223 0.000 1.994 306 L HA -0.223 4.117 4.340 -0.000 0.000 0.208 306 L C 2.575 179.533 176.870 0.145 0.000 1.071 306 L CA 1.740 56.675 54.840 0.159 0.000 0.745 306 L CB -0.435 41.684 42.059 0.101 0.000 0.892 306 L HN -0.096 nan 8.230 nan 0.000 0.431 307 R N -0.201 120.325 120.500 0.043 0.000 2.096 307 R HA -0.271 4.069 4.340 -0.000 0.000 0.240 307 R C 2.209 178.531 176.300 0.037 0.000 1.139 307 R CA 1.927 58.012 56.100 -0.025 0.000 0.952 307 R CB -0.405 29.833 30.300 -0.103 0.000 0.854 307 R HN 0.404 nan 8.270 nan 0.000 0.436 308 E N -0.148 120.091 120.200 0.065 0.000 2.085 308 E HA -0.252 4.098 4.350 -0.000 0.000 0.194 308 E C 1.731 178.460 176.600 0.214 0.000 0.994 308 E CA 1.948 58.410 56.400 0.103 0.000 0.801 308 E CB -0.220 29.525 29.700 0.075 0.000 0.743 308 E HN 0.518 nan 8.360 nan 0.000 0.453 309 H N -0.339 118.861 119.070 0.216 0.000 2.290 309 H HA -0.079 4.477 4.556 -0.000 0.000 0.298 309 H C 1.697 177.149 175.328 0.206 0.000 1.087 309 H CA 2.272 58.476 56.048 0.260 0.000 1.291 309 H CB -0.171 29.781 29.762 0.318 0.000 1.369 309 H HN 0.150 nan 8.280 nan 0.000 0.492 310 N N 0.167 119.079 118.700 0.352 0.000 2.223 310 N HA -0.155 4.585 4.740 -0.000 0.000 0.185 310 N C 1.989 177.560 175.510 0.102 0.000 1.016 310 N CA 1.176 54.367 53.050 0.235 0.000 0.863 310 N CB -0.365 38.206 38.487 0.140 0.000 0.983 310 N HN 0.442 nan 8.380 nan 0.000 0.429 311 R N 0.755 121.297 120.500 0.070 0.000 2.066 311 R HA -0.041 4.299 4.340 -0.000 0.000 0.232 311 R C 1.538 177.862 176.300 0.039 0.000 1.131 311 R CA 1.213 57.334 56.100 0.035 0.000 0.955 311 R CB -0.310 30.001 30.300 0.019 0.000 0.851 311 R HN -0.003 nan 8.270 nan 0.000 0.432 312 V N 0.686 120.628 119.914 0.047 0.000 2.490 312 V HA -0.302 3.818 4.120 -0.000 0.000 0.250 312 V C 2.582 178.697 176.094 0.036 0.000 1.061 312 V CA 1.615 63.942 62.300 0.045 0.000 1.064 312 V CB -0.616 31.243 31.823 0.061 0.000 0.670 312 V HN 0.530 nan 8.190 nan 0.000 0.461 313 C N 0.155 119.468 119.300 0.022 0.000 2.429 313 C HA -0.153 4.307 4.460 -0.000 0.000 0.277 313 C C 2.535 177.569 174.990 0.074 0.000 1.262 313 C CA 0.940 59.999 59.018 0.067 0.000 1.733 313 C CB -1.003 26.804 27.740 0.112 0.000 2.010 313 C HN 0.603 nan 8.230 nan 0.000 0.483 314 D N 0.792 121.226 120.400 0.056 0.000 2.117 314 D HA -0.074 4.566 4.640 -0.000 0.000 0.197 314 D C 2.111 178.416 176.300 0.009 0.000 0.987 314 D CA 1.007 55.029 54.000 0.037 0.000 0.829 314 D CB -0.412 40.404 40.800 0.028 0.000 0.961 314 D HN 0.462 nan 8.370 nan 0.000 0.460 315 L N 0.172 121.398 121.223 0.005 0.000 1.994 315 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 315 L C 2.405 179.240 176.870 -0.058 0.000 1.071 315 L CA 0.583 55.411 54.840 -0.021 0.000 0.745 315 L CB -0.454 41.604 42.059 -0.002 0.000 0.892 315 L HN 0.063 nan 8.230 nan 0.000 0.431 316 L N 0.275 121.482 121.223 -0.026 0.000 2.043 316 L HA -0.254 4.086 4.340 -0.000 0.000 0.212 316 L C 2.578 179.347 176.870 -0.168 0.000 1.075 316 L CA 1.791 56.585 54.840 -0.077 0.000 0.752 316 L CB -1.007 41.083 42.059 0.052 0.000 0.891 316 L HN 0.230 nan 8.230 nan 0.000 0.432 317 K N -0.696 119.667 120.400 -0.061 0.000 2.057 317 K HA -0.114 4.206 4.320 -0.000 0.000 0.207 317 K C 2.079 178.612 176.600 -0.111 0.000 1.049 317 K CA 1.268 57.525 56.287 -0.049 0.000 0.931 317 K CB -0.178 32.342 32.500 0.033 0.000 0.714 317 K HN 0.251 nan 8.250 nan 0.000 0.440 318 A N 0.736 123.490 122.820 -0.110 0.000 1.883 318 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 318 A C 2.106 179.564 177.584 -0.209 0.000 1.186 318 A CA 2.119 54.084 52.037 -0.121 0.000 0.624 318 A CB -0.721 18.221 19.000 -0.096 0.000 0.822 318 A HN 0.458 nan 8.150 nan 0.000 0.444 319 E N -0.519 119.480 120.200 -0.334 0.000 2.107 319 E HA -0.086 4.264 4.350 -0.000 0.000 0.191 319 E C -0.135 175.980 176.600 -0.808 0.000 0.982 319 E CA 1.000 57.055 56.400 -0.576 0.000 0.809 319 E CB -0.107 29.150 29.700 -0.738 0.000 0.756 319 E HN 0.806 nan 8.360 nan 0.000 0.459 320 H N -0.842 117.945 119.070 -0.471 0.000 2.541 320 H HA 0.183 4.739 4.556 -0.000 0.000 0.246 320 H C -1.913 173.232 175.328 -0.304 0.000 1.341 320 H CA -1.667 54.024 56.048 -0.595 0.000 1.469 320 H CB 1.378 30.127 29.762 -1.689 0.000 1.472 320 H HN 0.086 nan 8.280 nan 0.000 0.503 321 P HA -0.186 nan 4.420 nan 0.000 0.217 321 P C 1.297 178.653 177.300 0.094 0.000 1.150 321 P CA 1.362 64.471 63.100 0.015 0.000 0.832 321 P CB 0.252 31.953 31.700 0.002 0.000 0.787 322 T N -5.243 109.389 114.554 0.130 0.000 3.007 322 T HA -0.102 4.248 4.350 -0.000 0.000 0.270 322 T C 0.610 175.501 174.700 0.319 0.000 1.107 322 T CA 0.215 62.432 62.100 0.196 0.000 1.118 322 T CB -0.769 68.219 68.868 0.200 0.000 0.889 322 T HN -0.034 nan 8.240 nan 0.000 0.506 323 W N 2.266 123.611 121.300 0.075 0.000 2.150 323 W HA 0.625 5.285 4.660 -0.000 0.000 0.341 323 W C 1.043 177.594 176.519 0.054 0.000 1.276 323 W CA -0.964 56.411 57.345 0.050 0.000 1.238 323 W CB 0.039 29.532 29.460 0.055 0.000 1.128 323 W HN 0.213 nan 8.180 nan 0.000 0.581 324 G N 0.880 109.826 108.800 0.245 0.000 2.613 324 G HA2 0.164 4.124 3.960 -0.000 0.000 0.303 324 G HA3 0.164 4.124 3.960 -0.000 0.000 0.303 324 G C 0.169 175.178 174.900 0.181 0.000 1.312 324 G CA -0.266 44.929 45.100 0.157 0.000 1.036 324 G HN 0.409 nan 8.290 nan 0.000 0.513 325 D N -0.731 119.762 120.400 0.153 0.000 2.106 325 D HA -0.158 4.482 4.640 -0.000 0.000 0.194 325 D C 2.135 178.573 176.300 0.231 0.000 0.988 325 D CA 1.533 55.656 54.000 0.205 0.000 0.845 325 D CB 0.010 40.931 40.800 0.201 0.000 0.990 325 D HN 0.369 nan 8.370 nan 0.000 0.448 326 E N -0.183 120.125 120.200 0.179 0.000 2.113 326 E HA -0.336 4.014 4.350 -0.000 0.000 0.210 326 E C 2.079 178.774 176.600 0.157 0.000 1.040 326 E CA 1.702 58.223 56.400 0.202 0.000 0.847 326 E CB -0.445 29.325 29.700 0.116 0.000 0.755 326 E HN 0.504 nan 8.360 nan 0.000 0.459 327 Q N 0.384 120.183 119.800 -0.002 0.000 2.061 327 Q HA -0.163 4.177 4.340 -0.000 0.000 0.204 327 Q C 2.482 178.431 176.000 -0.085 0.000 0.984 327 Q CA 1.478 57.147 55.803 -0.223 0.000 0.846 327 Q CB -0.215 28.173 28.738 -0.583 0.000 0.902 327 Q HN 0.247 nan 8.270 nan 0.000 0.421 328 L N -0.226 121.129 121.223 0.220 0.000 1.989 328 L HA -0.179 4.161 4.340 -0.000 0.000 0.211 328 L C 2.337 179.389 176.870 0.304 0.000 1.071 328 L CA 1.534 56.636 54.840 0.437 0.000 0.749 328 L CB -0.674 41.641 42.059 0.427 0.000 0.890 328 L HN 0.322 nan 8.230 nan 0.000 0.431 329 F N 0.621 120.666 119.950 0.158 0.000 2.025 329 F HA -0.302 4.225 4.527 0.000 0.000 0.297 329 F C 2.757 178.603 175.800 0.077 0.000 1.132 329 F CA 1.767 59.864 58.000 0.162 0.000 1.191 329 F CB -0.451 38.654 39.000 0.174 0.000 0.963 329 F HN 0.057 nan 8.300 nan 0.000 0.481 330 Q N 0.011 119.800 119.800 -0.017 0.000 2.112 330 Q HA -0.186 4.154 4.340 -0.000 0.000 0.206 330 Q C 2.263 178.148 176.000 -0.192 0.000 0.987 330 Q CA 2.385 58.068 55.803 -0.199 0.000 0.858 330 Q CB -1.320 27.373 28.738 -0.074 0.000 0.905 330 Q HN 0.465 nan 8.270 nan 0.000 0.420 331 T N 1.086 115.589 114.554 -0.084 0.000 2.777 331 T HA -0.057 4.293 4.350 -0.000 0.000 0.266 331 T C 1.855 176.599 174.700 0.074 0.000 1.040 331 T CA 1.344 63.455 62.100 0.019 0.000 1.141 331 T CB -0.262 68.730 68.868 0.206 0.000 0.868 331 T HN 0.427 nan 8.240 nan 0.000 0.444 332 A N 1.765 124.596 122.820 0.017 0.000 1.908 332 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 332 A C 2.290 179.879 177.584 0.010 0.000 1.181 332 A CA 1.859 53.874 52.037 -0.037 0.000 0.627 332 A CB -0.610 18.207 19.000 -0.306 0.000 0.818 332 A HN 0.419 nan 8.150 nan 0.000 0.445 333 R N -0.501 119.918 120.500 -0.135 0.000 2.096 333 R HA -0.036 4.304 4.340 -0.000 0.000 0.235 333 R C 1.941 178.283 176.300 0.069 0.000 1.127 333 R CA 1.359 57.398 56.100 -0.102 0.000 0.968 333 R CB -0.341 29.590 30.300 -0.615 0.000 0.861 333 R HN 0.538 nan 8.270 nan 0.000 0.440 334 L N 0.303 121.572 121.223 0.076 0.000 2.093 334 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 334 L C 2.307 179.467 176.870 0.484 0.000 1.085 334 L CA 1.042 56.026 54.840 0.240 0.000 0.755 334 L CB -0.193 41.934 42.059 0.114 0.000 0.904 334 L HN 0.273 nan 8.230 nan 0.000 0.435 335 I N -0.867 119.954 120.570 0.418 0.000 2.252 335 I HA -0.294 3.876 4.170 -0.000 0.000 0.245 335 I C 2.332 178.622 176.117 0.288 0.000 1.102 335 I CA 0.970 62.480 61.300 0.350 0.000 1.385 335 I CB -0.116 38.044 38.000 0.267 0.000 1.064 335 I HN 0.182 nan 8.210 nan 0.000 0.414 336 L N 0.504 121.906 121.223 0.297 0.000 2.046 336 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 336 L C 2.342 179.343 176.870 0.219 0.000 1.077 336 L CA 1.775 56.807 54.840 0.321 0.000 0.747 336 L CB -0.468 41.806 42.059 0.358 0.000 0.896 336 L HN 0.144 nan 8.230 nan 0.000 0.432 337 I N -1.092 119.611 120.570 0.222 0.000 2.208 337 I HA -0.278 3.892 4.170 -0.000 0.000 0.245 337 I C 2.453 178.713 176.117 0.237 0.000 1.097 337 I CA 1.408 62.823 61.300 0.193 0.000 1.363 337 I CB -0.953 37.182 38.000 0.223 0.000 1.051 337 I HN 0.371 nan 8.210 nan 0.000 0.413 338 G N 0.364 109.366 108.800 0.338 0.000 2.453 338 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.215 338 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.215 338 G C 1.469 176.536 174.900 0.278 0.000 1.201 338 G CA 0.631 45.958 45.100 0.378 0.000 0.784 338 G HN 0.394 nan 8.290 nan 0.000 0.545 339 E N -0.191 120.177 120.200 0.280 0.000 2.065 339 E HA -0.171 4.179 4.350 -0.000 0.000 0.201 339 E C 2.781 179.575 176.600 0.322 0.000 1.016 339 E CA 1.705 58.301 56.400 0.326 0.000 0.818 339 E CB -0.386 29.586 29.700 0.453 0.000 0.749 339 E HN 0.355 nan 8.360 nan 0.000 0.453 340 T N 1.457 116.167 114.554 0.260 0.000 2.652 340 T HA -0.179 4.171 4.350 -0.000 0.000 0.267 340 T C 2.015 176.762 174.700 0.078 0.000 1.039 340 T CA 1.320 63.529 62.100 0.182 0.000 1.153 340 T CB -0.322 68.541 68.868 -0.008 0.000 0.863 340 T HN 0.127 nan 8.240 nan 0.000 0.428 341 I N 0.909 121.455 120.570 -0.040 0.000 2.264 341 I HA -0.226 3.944 4.170 -0.000 0.000 0.248 341 I C 2.586 178.416 176.117 -0.478 0.000 1.111 341 I CA 1.393 62.521 61.300 -0.287 0.000 1.382 341 I CB -0.365 37.342 38.000 -0.489 0.000 1.060 341 I HN 0.239 nan 8.210 nan 0.000 0.418 342 K N 1.756 121.936 120.400 -0.367 0.000 1.973 342 K HA -0.188 4.132 4.320 -0.000 0.000 0.212 342 K C 2.147 178.762 176.600 0.024 0.000 1.047 342 K CA 1.778 57.992 56.287 -0.122 0.000 0.937 342 K CB -0.182 32.441 32.500 0.204 0.000 0.721 342 K HN 0.195 nan 8.250 nan 0.000 0.440 343 I N 1.034 121.671 120.570 0.113 0.000 2.264 343 I HA -0.264 3.906 4.170 -0.000 0.000 0.248 343 I C 2.237 178.414 176.117 0.100 0.000 1.111 343 I CA 0.823 62.215 61.300 0.153 0.000 1.382 343 I CB -0.156 38.006 38.000 0.270 0.000 1.060 343 I HN 0.063 nan 8.210 nan 0.000 0.418 344 V N 1.042 120.955 119.914 -0.002 0.000 2.343 344 V HA -0.259 3.861 4.120 -0.000 0.000 0.247 344 V C 2.282 178.383 176.094 0.011 0.000 1.051 344 V CA 1.611 63.814 62.300 -0.162 0.000 1.036 344 V CB -0.320 31.270 31.823 -0.389 0.000 0.654 344 V HN 0.305 nan 8.190 nan 0.000 0.451 345 I N -0.174 120.396 120.570 0.001 0.000 2.206 345 I HA -0.135 4.035 4.170 -0.000 0.000 0.239 345 I C 2.443 178.622 176.117 0.103 0.000 1.078 345 I CA 1.536 62.870 61.300 0.057 0.000 1.367 345 I CB -0.930 37.087 38.000 0.028 0.000 1.078 345 I HN 0.373 nan 8.210 nan 0.000 0.413 346 E N 0.321 120.586 120.200 0.108 0.000 2.347 346 E HA -0.158 4.192 4.350 -0.000 0.000 0.196 346 E C 1.616 178.289 176.600 0.122 0.000 1.008 346 E CA 0.860 57.328 56.400 0.112 0.000 0.852 346 E CB 0.245 30.016 29.700 0.119 0.000 0.783 346 E HN 0.563 nan 8.360 nan 0.000 0.505 347 E N -0.888 119.414 120.200 0.170 0.000 2.476 347 E HA -0.020 4.330 4.350 -0.000 0.000 0.193 347 E C 1.494 178.325 176.600 0.384 0.000 0.966 347 E CA -0.170 56.374 56.400 0.240 0.000 1.114 347 E CB -0.206 29.609 29.700 0.192 0.000 1.151 347 E HN 0.069 nan 8.360 nan 0.000 0.487 348 Y N 2.003 122.440 120.300 0.229 0.000 2.097 348 Y HA -0.259 4.291 4.550 -0.000 0.000 0.282 348 Y C 2.048 178.022 175.900 0.123 0.000 1.152 348 Y CA 1.632 59.734 58.100 0.005 0.000 1.136 348 Y CB -0.282 37.971 38.460 -0.346 0.000 0.975 348 Y HN -0.150 nan 8.280 nan 0.000 0.498 349 V N 0.330 120.480 119.914 0.394 0.000 2.548 349 V HA -0.247 3.873 4.120 -0.000 0.000 0.249 349 V C 2.256 178.380 176.094 0.050 0.000 1.055 349 V CA 1.861 64.311 62.300 0.249 0.000 1.065 349 V CB -0.740 31.216 31.823 0.223 0.000 0.681 349 V HN 0.376 nan 8.190 nan 0.000 0.462 350 Q N 0.552 120.391 119.800 0.065 0.000 2.124 350 Q HA -0.265 4.075 4.340 -0.000 0.000 0.202 350 Q C 2.169 178.140 176.000 -0.048 0.000 0.977 350 Q CA 2.275 58.078 55.803 -0.000 0.000 0.850 350 Q CB -0.303 28.468 28.738 0.056 0.000 0.901 350 Q HN 0.696 nan 8.270 nan 0.000 0.429 351 Q N -0.277 119.510 119.800 -0.021 0.000 2.020 351 Q HA -0.063 4.277 4.340 -0.000 0.000 0.198 351 Q C 1.922 177.732 176.000 -0.317 0.000 0.974 351 Q CA 1.448 57.174 55.803 -0.128 0.000 0.829 351 Q CB -0.624 28.070 28.738 -0.073 0.000 0.894 351 Q HN 0.525 nan 8.270 nan 0.000 0.433 352 L N 0.514 121.536 121.223 -0.334 0.000 2.079 352 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 352 L C 2.233 178.905 176.870 -0.331 0.000 1.081 352 L CA 2.021 56.617 54.840 -0.408 0.000 0.752 352 L CB -0.582 41.400 42.059 -0.128 0.000 0.896 352 L HN 0.522 nan 8.230 nan 0.000 0.433 353 S N -1.139 114.380 115.700 -0.302 0.000 2.371 353 S HA -0.021 4.449 4.470 -0.000 0.000 0.224 353 S C 1.612 176.023 174.600 -0.314 0.000 1.029 353 S CA 0.760 58.667 58.200 -0.487 0.000 0.978 353 S CB -0.250 62.325 63.200 -1.041 0.000 0.833 353 S HN 0.577 nan 8.310 nan 0.000 0.466 354 G N 0.062 108.720 108.800 -0.237 0.000 2.143 354 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.249 354 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.249 354 G C -0.097 174.740 174.900 -0.104 0.000 0.981 354 G CA 0.269 45.283 45.100 -0.143 0.000 0.665 354 G HN 0.474 nan 8.290 nan 0.000 0.528 355 Y N -0.637 119.468 120.300 -0.326 0.000 2.426 355 Y HA 0.536 5.086 4.550 -0.000 0.000 0.344 355 Y C 1.422 177.114 175.900 -0.346 0.000 1.256 355 Y CA -1.158 56.659 58.100 -0.472 0.000 1.451 355 Y CB 0.144 38.371 38.460 -0.388 0.000 1.342 355 Y HN -0.011 nan 8.280 nan 0.000 0.600 356 F N 0.375 120.016 119.950 -0.515 0.000 2.619 356 F HA 0.083 4.610 4.527 -0.000 0.000 0.293 356 F C 0.718 176.176 175.800 -0.569 0.000 1.119 356 F CA -0.489 57.205 58.000 -0.510 0.000 1.445 356 F CB -0.545 38.120 39.000 -0.559 0.000 1.119 356 F HN 0.214 nan 8.300 nan 0.000 0.573 357 L N 1.708 122.513 121.223 -0.697 0.000 2.477 357 L HA 0.120 4.460 4.340 -0.000 0.000 0.272 357 L C 0.365 177.135 176.870 -0.167 0.000 1.157 357 L CA -0.186 54.334 54.840 -0.535 0.000 0.889 357 L CB 0.181 41.837 42.059 -0.673 0.000 1.158 357 L HN 0.010 nan 8.230 nan 0.000 0.473 358 Q N 4.586 124.347 119.800 -0.065 0.000 2.325 358 Q HA 0.280 4.620 4.340 -0.000 0.000 0.256 358 Q C -0.736 175.265 176.000 0.002 0.000 1.142 358 Q CA 0.382 56.178 55.803 -0.011 0.000 0.902 358 Q CB 0.006 28.750 28.738 0.011 0.000 1.350 358 Q HN 0.728 nan 8.270 nan 0.000 0.449 359 L N 3.052 124.283 121.223 0.013 0.000 2.492 359 L HA 0.151 4.491 4.340 -0.000 0.000 0.280 359 L C 0.496 177.399 176.870 0.054 0.000 1.240 359 L CA 0.453 55.313 54.840 0.033 0.000 0.831 359 L CB 0.332 42.415 42.059 0.040 0.000 1.100 359 L HN 0.533 nan 8.230 nan 0.000 0.505 360 K N 1.752 122.192 120.400 0.066 0.000 2.501 360 K HA 0.313 4.633 4.320 -0.000 0.000 0.252 360 K C -1.679 175.002 176.600 0.135 0.000 0.934 360 K CA -0.694 55.643 56.287 0.084 0.000 0.797 360 K CB 1.737 34.261 32.500 0.039 0.000 1.270 360 K HN 0.301 nan 8.250 nan 0.000 0.431 361 F N 4.581 124.525 119.950 -0.011 0.000 2.313 361 F HA 0.377 4.904 4.527 -0.000 0.000 0.369 361 F C -1.099 174.662 175.800 -0.066 0.000 1.109 361 F CA -0.899 57.077 58.000 -0.040 0.000 1.132 361 F CB 0.667 39.666 39.000 -0.000 0.000 1.291 361 F HN 0.484 nan 8.300 nan 0.000 0.496 362 D N 8.213 128.353 120.400 -0.434 0.000 2.323 362 D HA 0.340 4.980 4.640 -0.000 0.000 0.242 362 D C -2.299 173.612 176.300 -0.649 0.000 1.347 362 D CA -2.016 51.654 54.000 -0.550 0.000 0.988 362 D CB 2.043 42.691 40.800 -0.253 0.000 1.314 362 D HN 0.176 nan 8.370 nan 0.000 0.564 363 P HA -0.136 nan 4.420 nan 0.000 0.218 363 P C 0.697 177.345 177.300 -1.086 0.000 1.146 363 P CA 1.081 63.599 63.100 -0.970 0.000 0.820 363 P CB 0.359 31.119 31.700 -1.567 0.000 0.778 364 E N -0.797 118.743 120.200 -1.100 0.000 2.274 364 E HA -0.073 4.277 4.350 -0.000 0.000 0.194 364 E C 1.765 178.008 176.600 -0.595 0.000 0.996 364 E CA 0.490 56.144 56.400 -1.243 0.000 0.840 364 E CB -0.501 28.882 29.700 -0.528 0.000 0.772 364 E HN 0.325 nan 8.360 nan 0.000 0.491 365 L N 0.512 121.499 121.223 -0.393 0.000 2.265 365 L HA -0.152 4.188 4.340 -0.000 0.000 0.215 365 L C 2.063 178.832 176.870 -0.168 0.000 1.117 365 L CA 0.781 55.498 54.840 -0.205 0.000 0.782 365 L CB -0.173 41.790 42.059 -0.160 0.000 0.914 365 L HN 0.209 nan 8.230 nan 0.000 0.441 366 L N -2.171 118.912 121.223 -0.233 0.000 2.554 366 L HA 0.018 4.358 4.340 -0.000 0.000 0.225 366 L C 1.946 178.911 176.870 0.159 0.000 1.104 366 L CA -0.214 54.554 54.840 -0.121 0.000 0.866 366 L CB -0.137 41.727 42.059 -0.324 0.000 1.047 366 L HN 0.109 nan 8.230 nan 0.000 0.468 367 F N 0.869 120.851 119.950 0.053 0.000 2.411 367 F HA -0.115 4.412 4.527 -0.000 0.000 0.299 367 F C 2.190 178.038 175.800 0.080 0.000 1.077 367 F CA 1.031 59.090 58.000 0.098 0.000 1.439 367 F CB -1.325 37.730 39.000 0.091 0.000 1.085 367 F HN 0.050 nan 8.300 nan 0.000 0.564 368 G N -1.029 107.905 108.800 0.224 0.000 2.510 368 G HA2 0.261 4.221 3.960 -0.000 0.000 0.212 368 G HA3 0.261 4.221 3.960 -0.000 0.000 0.212 368 G C 0.937 175.907 174.900 0.117 0.000 1.151 368 G CA 0.462 45.646 45.100 0.140 0.000 0.817 368 G HN 0.425 nan 8.290 nan 0.000 0.534 369 A N -0.002 122.882 122.820 0.107 0.000 2.429 369 A HA 0.456 4.776 4.320 -0.000 0.000 0.242 369 A C 0.190 177.856 177.584 0.137 0.000 1.088 369 A CA -0.002 52.093 52.037 0.095 0.000 0.784 369 A CB 0.154 19.187 19.000 0.055 0.000 1.038 369 A HN 0.349 nan 8.150 nan 0.000 0.501 370 Q N 0.024 119.896 119.800 0.119 0.000 2.421 370 Q HA 0.475 4.815 4.340 -0.000 0.000 0.242 370 Q C -1.663 174.432 176.000 0.157 0.000 1.024 370 Q CA 0.196 56.067 55.803 0.112 0.000 0.891 370 Q CB 0.887 29.663 28.738 0.063 0.000 1.222 370 Q HN 0.526 nan 8.270 nan 0.000 0.483 371 F N 1.703 121.619 119.950 -0.057 0.000 2.569 371 F HA 0.268 4.795 4.527 -0.000 0.000 0.312 371 F C -0.981 174.678 175.800 -0.235 0.000 1.109 371 F CA -0.755 57.134 58.000 -0.184 0.000 0.919 371 F CB 1.779 40.605 39.000 -0.289 0.000 1.211 371 F HN 0.234 nan 8.300 nan 0.000 0.446 372 Q N 5.172 124.550 119.800 -0.702 0.000 2.303 372 Q HA 0.167 4.507 4.340 -0.000 0.000 0.257 372 Q C -1.357 174.236 176.000 -0.679 0.000 0.941 372 Q CA -0.430 55.096 55.803 -0.462 0.000 0.931 372 Q CB 1.374 29.924 28.738 -0.314 0.000 1.215 372 Q HN 0.682 nan 8.270 nan 0.000 0.437 373 Y N 3.209 123.404 120.300 -0.175 0.000 2.570 373 Y HA 0.127 4.677 4.550 -0.000 0.000 0.336 373 Y C 0.761 176.589 175.900 -0.120 0.000 1.284 373 Y CA -0.035 58.015 58.100 -0.084 0.000 1.761 373 Y CB 0.118 38.592 38.460 0.023 0.000 1.724 373 Y HN 0.343 nan 8.280 nan 0.000 0.455 374 R N 1.758 122.188 120.500 -0.117 0.000 2.604 374 R HA 0.378 4.718 4.340 -0.000 0.000 0.261 374 R C -2.236 173.984 176.300 -0.132 0.000 1.080 374 R CA -0.657 55.385 56.100 -0.096 0.000 0.917 374 R CB 1.391 31.635 30.300 -0.094 0.000 1.252 374 R HN 0.492 nan 8.270 nan 0.000 0.456 375 N N 1.780 120.424 118.700 -0.093 0.000 2.321 375 N HA 0.511 5.251 4.740 -0.000 0.000 0.290 375 N C -1.645 173.834 175.510 -0.051 0.000 1.212 375 N CA -0.748 52.254 53.050 -0.079 0.000 0.767 375 N CB 2.326 40.770 38.487 -0.072 0.000 1.494 375 N HN 0.596 nan 8.380 nan 0.000 0.479 376 R N 2.930 123.434 120.500 0.007 0.000 2.549 376 R HA 0.318 4.658 4.340 -0.000 0.000 0.291 376 R C -1.088 175.372 176.300 0.268 0.000 1.164 376 R CA -0.531 55.651 56.100 0.138 0.000 0.973 376 R CB 0.363 30.638 30.300 -0.042 0.000 1.210 376 R HN 0.456 nan 8.270 nan 0.000 0.422 377 I N 3.800 124.607 120.570 0.395 0.000 2.752 377 I HA 0.109 4.279 4.170 -0.000 0.000 0.286 377 I C 0.719 177.043 176.117 0.345 0.000 1.180 377 I CA 0.368 61.839 61.300 0.285 0.000 1.404 377 I CB -0.199 37.951 38.000 0.250 0.000 1.389 377 I HN 0.688 nan 8.210 nan 0.000 0.549 378 A N 7.674 130.608 122.820 0.189 0.000 2.327 378 A HA 0.425 4.745 4.320 -0.000 0.000 0.283 378 A C 1.367 178.892 177.584 -0.098 0.000 1.127 378 A CA -0.672 51.397 52.037 0.054 0.000 0.810 378 A CB 0.672 19.633 19.000 -0.066 0.000 1.066 378 A HN 0.837 nan 8.150 nan 0.000 0.492 379 M N 0.768 120.280 119.600 -0.146 0.000 2.202 379 M HA -0.160 4.320 4.480 -0.000 0.000 0.262 379 M C 1.038 177.163 176.300 -0.292 0.000 1.063 379 M CA 2.344 57.444 55.300 -0.333 0.000 1.097 379 M CB -0.796 31.676 32.600 -0.213 0.000 1.382 379 M HN 0.729 nan 8.290 nan 0.000 0.413 380 E N 0.979 121.033 120.200 -0.244 0.000 2.077 380 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 380 E C 1.723 178.229 176.600 -0.157 0.000 0.989 380 E CA 1.629 57.874 56.400 -0.258 0.000 0.800 380 E CB -0.485 29.049 29.700 -0.277 0.000 0.746 380 E HN 0.583 nan 8.360 nan 0.000 0.452 381 F N 1.900 121.465 119.950 -0.642 0.000 2.216 381 F HA -0.154 4.373 4.527 -0.000 0.000 0.300 381 F C 1.853 177.540 175.800 -0.188 0.000 1.085 381 F CA 1.263 58.956 58.000 -0.512 0.000 1.326 381 F CB -0.293 38.260 39.000 -0.744 0.000 1.027 381 F HN 0.022 nan 8.300 nan 0.000 0.497 382 N N 0.245 118.636 118.700 -0.514 0.000 2.106 382 N HA -0.192 4.548 4.740 -0.000 0.000 0.188 382 N C 1.764 176.923 175.510 -0.585 0.000 1.029 382 N CA 1.537 53.886 53.050 -1.169 0.000 0.848 382 N CB -0.238 37.641 38.487 -1.014 0.000 1.007 382 N HN 0.471 nan 8.380 nan 0.000 0.423 383 Q N 0.930 120.564 119.800 -0.277 0.000 1.975 383 Q HA -0.156 4.184 4.340 -0.000 0.000 0.205 383 Q C 2.288 178.298 176.000 0.017 0.000 0.990 383 Q CA 1.104 56.815 55.803 -0.154 0.000 0.845 383 Q CB -0.578 28.147 28.738 -0.023 0.000 0.913 383 Q HN 0.422 nan 8.270 nan 0.000 0.420 384 L N -0.058 121.196 121.223 0.051 0.000 2.456 384 L HA -0.193 4.147 4.340 -0.000 0.000 0.225 384 L C 0.879 177.748 176.870 -0.002 0.000 1.142 384 L CA 1.006 55.873 54.840 0.046 0.000 0.796 384 L CB -0.023 42.084 42.059 0.080 0.000 0.920 384 L HN 0.201 nan 8.230 nan 0.000 0.446 385 Y N -1.464 118.663 120.300 -0.288 0.000 2.720 385 Y HA 0.203 4.753 4.550 0.000 0.000 0.268 385 Y C 0.153 175.707 175.900 -0.576 0.000 1.142 385 Y CA -0.787 56.929 58.100 -0.640 0.000 1.193 385 Y CB -0.147 37.861 38.460 -0.752 0.000 1.176 385 Y HN 0.165 nan 8.280 nan 0.000 0.542 386 H N -1.067 117.953 119.070 -0.083 0.000 2.638 386 H HA 0.086 4.641 4.556 -0.000 0.000 0.232 386 H C -0.039 175.431 175.328 0.237 0.000 1.756 386 H CA -0.197 55.838 56.048 -0.022 0.000 1.234 386 H CB -0.388 29.336 29.762 -0.064 0.000 1.616 386 H HN 0.238 nan 8.280 nan 0.000 0.510 387 W N 0.268 121.608 121.300 0.066 0.000 3.319 387 W HA -0.027 4.633 4.660 -0.000 0.000 0.297 387 W C 0.677 177.211 176.519 0.025 0.000 1.306 387 W CA 0.024 57.426 57.345 0.096 0.000 1.559 387 W CB -1.583 27.977 29.460 0.167 0.000 0.990 387 W HN 0.670 nan 8.180 nan 0.000 0.746 388 H N 0.386 119.677 119.070 0.369 0.000 2.466 388 H HA -0.164 4.392 4.556 -0.000 0.000 0.297 388 H C -0.481 174.978 175.328 0.219 0.000 1.113 388 H CA 1.817 58.020 56.048 0.258 0.000 1.273 388 H CB -1.317 28.569 29.762 0.206 0.000 1.371 388 H HN 0.048 nan 8.280 nan 0.000 0.528 389 P HA -0.145 nan 4.420 nan 0.000 0.221 389 P C 1.073 178.450 177.300 0.127 0.000 1.145 389 P CA 1.044 64.241 63.100 0.162 0.000 0.795 389 P CB 0.011 31.760 31.700 0.081 0.000 0.775 390 L N -2.572 118.738 121.223 0.145 0.000 2.083 390 L HA -0.104 4.236 4.340 -0.000 0.000 0.209 390 L C 1.055 178.014 176.870 0.147 0.000 1.083 390 L CA 0.646 55.550 54.840 0.107 0.000 0.752 390 L CB -0.767 41.373 42.059 0.135 0.000 0.899 390 L HN 0.067 nan 8.230 nan 0.000 0.433 391 M N 1.574 121.298 119.600 0.206 0.000 2.284 391 M HA 0.091 4.571 4.480 -0.000 0.000 0.351 391 M C -1.774 174.658 176.300 0.219 0.000 1.443 391 M CA -2.354 53.089 55.300 0.238 0.000 1.031 391 M CB -0.633 32.225 32.600 0.430 0.000 1.893 391 M HN -0.125 nan 8.290 nan 0.000 0.456 392 P HA 0.064 nan 4.420 nan 0.000 0.288 392 P C -0.045 177.124 177.300 -0.219 0.000 1.291 392 P CA -0.097 62.881 63.100 -0.204 0.000 0.766 392 P CB 0.978 32.346 31.700 -0.553 0.000 1.242 393 D N -1.400 118.782 120.400 -0.363 0.000 2.162 393 D HA -0.005 4.635 4.640 -0.000 0.000 0.205 393 D C 0.830 176.990 176.300 -0.233 0.000 0.964 393 D CA 1.317 55.245 54.000 -0.120 0.000 0.847 393 D CB -0.019 40.700 40.800 -0.134 0.000 0.988 393 D HN 0.457 nan 8.370 nan 0.000 0.480 394 S N -0.802 114.593 115.700 -0.507 0.000 2.595 394 S HA 0.601 5.071 4.470 -0.000 0.000 0.281 394 S C -0.981 173.151 174.600 -0.780 0.000 1.117 394 S CA -0.916 56.976 58.200 -0.513 0.000 0.873 394 S CB 1.385 64.451 63.200 -0.225 0.000 1.108 394 S HN -0.098 nan 8.310 nan 0.000 0.477 395 F N 1.259 121.017 119.950 -0.320 0.000 2.308 395 F HA 0.515 5.042 4.527 -0.000 0.000 0.370 395 F C 0.769 176.469 175.800 -0.167 0.000 1.100 395 F CA -0.615 57.169 58.000 -0.360 0.000 1.108 395 F CB 1.169 39.662 39.000 -0.845 0.000 1.293 395 F HN 0.554 nan 8.300 nan 0.000 0.478 396 R N 2.677 123.167 120.500 -0.016 0.000 2.254 396 R HA 0.606 4.946 4.340 -0.000 0.000 0.318 396 R C -1.304 174.999 176.300 0.005 0.000 1.031 396 R CA -0.275 55.827 56.100 0.004 0.000 0.905 396 R CB 0.879 31.152 30.300 -0.045 0.000 1.050 396 R HN 0.480 nan 8.270 nan 0.000 0.456 397 V N 5.750 125.676 119.914 0.019 0.000 2.260 397 V HA 0.419 4.539 4.120 -0.000 0.000 0.263 397 V C 0.832 176.912 176.094 -0.022 0.000 1.036 397 V CA 0.215 62.434 62.300 -0.136 0.000 0.874 397 V CB 0.046 31.616 31.823 -0.421 0.000 1.116 397 V HN 1.181 nan 8.190 nan 0.000 0.454 398 G N 5.544 114.338 108.800 -0.009 0.000 2.496 398 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.243 398 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.243 398 G C -1.148 173.767 174.900 0.025 0.000 1.176 398 G CA 0.139 45.260 45.100 0.035 0.000 0.940 398 G HN 0.456 nan 8.290 nan 0.000 0.573 399 P HA 0.059 nan 4.420 nan 0.000 0.223 399 P C 0.652 177.941 177.300 -0.019 0.000 1.151 399 P CA 0.978 64.081 63.100 0.005 0.000 0.787 399 P CB 0.093 31.800 31.700 0.012 0.000 0.788 400 Q N 1.332 121.129 119.800 -0.004 0.000 2.304 400 Q HA 0.172 4.512 4.340 -0.000 0.000 0.260 400 Q C -0.569 175.335 176.000 -0.159 0.000 0.965 400 Q CA 0.654 56.393 55.803 -0.107 0.000 0.898 400 Q CB 0.248 28.967 28.738 -0.033 0.000 1.196 400 Q HN 0.030 nan 8.270 nan 0.000 0.402 401 D N 3.237 123.483 120.400 -0.257 0.000 2.505 401 D HA 0.214 4.854 4.640 -0.000 0.000 0.250 401 D C -1.326 174.843 176.300 -0.219 0.000 1.164 401 D CA -0.394 53.510 54.000 -0.161 0.000 0.870 401 D CB 0.214 40.950 40.800 -0.106 0.000 1.160 401 D HN 0.253 nan 8.370 nan 0.000 0.549 402 Y N 1.093 121.388 120.300 -0.008 0.000 2.335 402 Y HA 0.334 4.884 4.550 -0.000 0.000 0.323 402 Y C 1.452 177.383 175.900 0.052 0.000 1.224 402 Y CA -0.622 57.504 58.100 0.043 0.000 1.241 402 Y CB 1.228 39.725 38.460 0.062 0.000 1.235 402 Y HN 0.278 nan 8.280 nan 0.000 0.492 403 S N 0.417 116.277 115.700 0.267 0.000 2.693 403 S HA 0.213 4.683 4.470 -0.000 0.000 0.276 403 S C 0.513 175.294 174.600 0.301 0.000 1.192 403 S CA -0.612 57.723 58.200 0.225 0.000 0.994 403 S CB 0.456 63.793 63.200 0.228 0.000 1.012 403 S HN 0.649 nan 8.310 nan 0.000 0.550 404 Y N 1.527 121.931 120.300 0.173 0.000 2.165 404 Y HA -0.140 4.410 4.550 -0.000 0.000 0.286 404 Y C 2.656 178.700 175.900 0.240 0.000 1.155 404 Y CA 2.183 60.393 58.100 0.183 0.000 1.164 404 Y CB -0.268 37.993 38.460 -0.332 0.000 0.978 404 Y HN 0.761 nan 8.280 nan 0.000 0.513 405 E N 0.056 120.497 120.200 0.402 0.000 2.472 405 E HA -0.185 4.165 4.350 -0.000 0.000 0.200 405 E C 1.158 177.936 176.600 0.296 0.000 1.046 405 E CA 0.997 57.601 56.400 0.339 0.000 0.871 405 E CB -0.350 29.529 29.700 0.299 0.000 0.806 405 E HN 0.663 nan 8.360 nan 0.000 0.533 406 Q N -1.109 118.883 119.800 0.320 0.000 2.378 406 Q HA 0.128 4.468 4.340 -0.000 0.000 0.229 406 Q C 1.288 177.468 176.000 0.299 0.000 0.882 406 Q CA -0.005 55.988 55.803 0.317 0.000 0.936 406 Q CB 0.142 29.127 28.738 0.412 0.000 1.092 406 Q HN 0.134 nan 8.270 nan 0.000 0.535 407 F N 1.182 121.168 119.950 0.060 0.000 2.148 407 F HA -0.030 4.497 4.527 -0.000 0.000 0.285 407 F C 1.708 177.419 175.800 -0.147 0.000 1.092 407 F CA 0.375 58.287 58.000 -0.147 0.000 1.218 407 F CB -0.384 38.382 39.000 -0.390 0.000 1.059 407 F HN -0.073 nan 8.300 nan 0.000 0.490 408 L N -0.502 120.713 121.223 -0.014 0.000 2.113 408 L HA -0.296 4.044 4.340 -0.000 0.000 0.221 408 L C 1.337 177.930 176.870 -0.463 0.000 1.084 408 L CA 2.149 56.873 54.840 -0.194 0.000 0.787 408 L CB -0.959 41.180 42.059 0.132 0.000 0.893 408 L HN 0.176 nan 8.230 nan 0.000 0.440 409 F N -2.547 117.356 119.950 -0.079 0.000 2.817 409 F HA 0.265 4.792 4.527 -0.000 0.000 0.319 409 F C 0.825 176.600 175.800 -0.042 0.000 1.136 409 F CA -0.997 56.965 58.000 -0.064 0.000 1.177 409 F CB -0.244 38.761 39.000 0.008 0.000 1.088 409 F HN -0.095 nan 8.300 nan 0.000 0.520 410 N N 1.717 120.430 118.700 0.021 0.000 2.418 410 N HA -0.065 4.675 4.740 -0.000 0.000 0.277 410 N C 1.235 176.740 175.510 -0.008 0.000 1.317 410 N CA 0.770 53.828 53.050 0.012 0.000 0.922 410 N CB 0.865 39.329 38.487 -0.039 0.000 1.194 410 N HN 0.300 nan 8.380 nan 0.000 0.485 411 T N -0.750 113.839 114.554 0.058 0.000 3.148 411 T HA -0.039 4.311 4.350 -0.000 0.000 0.253 411 T C 1.588 176.283 174.700 -0.009 0.000 1.134 411 T CA 0.778 62.911 62.100 0.055 0.000 1.051 411 T CB -0.019 68.898 68.868 0.081 0.000 0.959 411 T HN 0.421 nan 8.240 nan 0.000 0.525 412 S N 0.362 116.053 115.700 -0.016 0.000 2.599 412 S HA 0.198 4.668 4.470 -0.000 0.000 0.236 412 S C 1.955 176.534 174.600 -0.034 0.000 1.077 412 S CA 0.122 58.301 58.200 -0.035 0.000 0.906 412 S CB -0.496 62.697 63.200 -0.010 0.000 0.804 412 S HN 0.291 nan 8.310 nan 0.000 0.497 413 M N 0.906 120.499 119.600 -0.013 0.000 2.128 413 M HA -0.185 4.295 4.480 -0.000 0.000 0.253 413 M C 1.989 178.323 176.300 0.057 0.000 1.079 413 M CA 1.948 57.272 55.300 0.039 0.000 1.082 413 M CB -0.387 32.184 32.600 -0.050 0.000 1.335 413 M HN 0.487 nan 8.290 nan 0.000 0.401 414 L N -0.434 120.768 121.223 -0.035 0.000 2.005 414 L HA -0.132 4.208 4.340 -0.000 0.000 0.207 414 L C 2.084 178.894 176.870 -0.099 0.000 1.072 414 L CA 1.611 56.428 54.840 -0.039 0.000 0.744 414 L CB -0.575 41.444 42.059 -0.066 0.000 0.895 414 L HN 0.188 nan 8.230 nan 0.000 0.433 415 V N -0.220 119.526 119.914 -0.280 0.000 2.515 415 V HA -0.219 3.901 4.120 -0.000 0.000 0.250 415 V C 2.182 178.190 176.094 -0.144 0.000 1.058 415 V CA 1.599 63.643 62.300 -0.428 0.000 1.064 415 V CB -0.902 30.650 31.823 -0.452 0.000 0.675 415 V HN 0.445 nan 8.190 nan 0.000 0.461 416 D N -0.385 119.967 120.400 -0.081 0.000 2.077 416 D HA -0.155 4.485 4.640 -0.000 0.000 0.197 416 D C 2.115 178.366 176.300 -0.082 0.000 0.983 416 D CA 1.756 55.708 54.000 -0.080 0.000 0.841 416 D CB -0.358 40.396 40.800 -0.076 0.000 0.992 416 D HN 0.488 nan 8.370 nan 0.000 0.450 417 Y N 0.586 120.865 120.300 -0.035 0.000 2.263 417 Y HA 0.155 4.705 4.550 0.000 0.000 0.292 417 Y C 1.584 177.481 175.900 -0.004 0.000 1.130 417 Y CA 1.143 59.228 58.100 -0.025 0.000 1.179 417 Y CB -0.153 38.272 38.460 -0.059 0.000 0.998 417 Y HN 0.100 nan 8.280 nan 0.000 0.532 418 G N -0.751 108.157 108.800 0.179 0.000 2.733 418 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.686 418 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.686 418 G C 0.512 175.484 174.900 0.120 0.000 1.373 418 G CA -0.510 44.705 45.100 0.192 0.000 0.838 418 G HN 0.096 nan 8.290 nan 0.000 0.588 419 V N 1.547 121.521 119.914 0.100 0.000 2.218 419 V HA -0.298 3.822 4.120 -0.000 0.000 0.251 419 V C 2.747 178.819 176.094 -0.036 0.000 1.057 419 V CA 3.324 65.626 62.300 0.003 0.000 1.022 419 V CB -1.065 30.726 31.823 -0.054 0.000 0.645 419 V HN 0.922 nan 8.190 nan 0.000 0.451 420 E N 0.592 120.775 120.200 -0.027 0.000 2.086 420 E HA -0.276 4.074 4.350 -0.000 0.000 0.205 420 E C 2.235 178.817 176.600 -0.029 0.000 1.027 420 E CA 1.901 58.283 56.400 -0.030 0.000 0.830 420 E CB -0.740 28.952 29.700 -0.014 0.000 0.751 420 E HN 0.619 nan 8.360 nan 0.000 0.456 421 A N 0.730 123.549 122.820 -0.002 0.000 1.851 421 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 421 A C 2.310 179.812 177.584 -0.136 0.000 1.195 421 A CA 1.616 53.653 52.037 0.001 0.000 0.622 421 A CB -0.941 18.139 19.000 0.133 0.000 0.831 421 A HN 0.205 nan 8.150 nan 0.000 0.444 422 L N -0.537 120.557 121.223 -0.214 0.000 2.042 422 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 422 L C 2.576 179.134 176.870 -0.520 0.000 1.076 422 L CA 1.223 55.743 54.840 -0.534 0.000 0.749 422 L CB -0.553 41.250 42.059 -0.427 0.000 0.893 422 L HN 0.276 nan 8.230 nan 0.000 0.432 423 V N 0.026 119.821 119.914 -0.199 0.000 2.261 423 V HA -0.365 3.755 4.120 -0.000 0.000 0.246 423 V C 2.193 178.276 176.094 -0.019 0.000 1.047 423 V CA 2.290 64.554 62.300 -0.061 0.000 1.015 423 V CB -0.506 31.275 31.823 -0.071 0.000 0.642 423 V HN 0.531 nan 8.190 nan 0.000 0.446 424 D N -0.156 120.225 120.400 -0.031 0.000 2.133 424 D HA -0.198 4.442 4.640 -0.000 0.000 0.195 424 D C 2.072 178.414 176.300 0.070 0.000 0.997 424 D CA 1.689 55.723 54.000 0.056 0.000 0.840 424 D CB -0.156 40.673 40.800 0.047 0.000 0.947 424 D HN 0.412 nan 8.370 nan 0.000 0.452 425 A N -0.356 122.422 122.820 -0.070 0.000 1.841 425 A HA -0.100 4.220 4.320 -0.000 0.000 0.214 425 A C 2.006 179.647 177.584 0.094 0.000 1.195 425 A CA 1.234 53.226 52.037 -0.075 0.000 0.611 425 A CB -1.161 17.669 19.000 -0.284 0.000 0.835 425 A HN 0.316 nan 8.150 nan 0.000 0.443 426 F N 1.192 121.210 119.950 0.114 0.000 2.202 426 F HA -0.114 4.413 4.527 -0.000 0.000 0.301 426 F C 2.673 178.583 175.800 0.184 0.000 1.082 426 F CA 1.107 59.217 58.000 0.182 0.000 1.313 426 F CB -1.081 38.082 39.000 0.271 0.000 1.024 426 F HN 0.128 nan 8.300 nan 0.000 0.495 427 S N -0.609 115.295 115.700 0.340 0.000 2.515 427 S HA -0.058 4.412 4.470 -0.000 0.000 0.231 427 S C 1.925 176.762 174.600 0.394 0.000 0.987 427 S CA 0.617 58.992 58.200 0.293 0.000 0.936 427 S CB -0.095 63.164 63.200 0.099 0.000 0.766 427 S HN 0.398 nan 8.310 nan 0.000 0.528 428 R N 0.490 121.176 120.500 0.310 0.000 2.195 428 R HA 0.203 4.543 4.340 -0.000 0.000 0.197 428 R C 0.966 177.363 176.300 0.161 0.000 0.990 428 R CA 0.023 56.258 56.100 0.225 0.000 1.048 428 R CB 0.134 30.513 30.300 0.133 0.000 0.997 428 R HN 0.304 nan 8.270 nan 0.000 0.502 429 Q N 3.123 123.022 119.800 0.165 0.000 2.297 429 Q HA 0.131 4.471 4.340 -0.000 0.000 0.267 429 Q C -2.281 173.786 176.000 0.112 0.000 1.006 429 Q CA -1.973 53.895 55.803 0.108 0.000 0.896 429 Q CB 0.994 29.793 28.738 0.101 0.000 1.186 429 Q HN -0.062 nan 8.270 nan 0.000 0.392 430 P HA 0.188 nan 4.420 nan 0.000 0.284 430 P C -1.386 176.005 177.300 0.152 0.000 1.253 430 P CA -0.237 62.925 63.100 0.104 0.000 0.800 430 P CB 1.462 33.227 31.700 0.107 0.000 0.961 431 A N 3.025 125.907 122.820 0.102 0.000 2.242 431 A HA 0.693 5.013 4.320 -0.000 0.000 0.304 431 A C 0.733 178.375 177.584 0.098 0.000 1.100 431 A CA -0.277 51.834 52.037 0.124 0.000 0.860 431 A CB -0.214 18.803 19.000 0.027 0.000 1.168 431 A HN 0.582 nan 8.150 nan 0.000 0.503 432 G N -0.822 108.002 108.800 0.040 0.000 2.562 432 G HA2 0.472 4.432 3.960 -0.000 0.000 0.275 432 G HA3 0.472 4.432 3.960 -0.000 0.000 0.275 432 G C 0.139 174.866 174.900 -0.288 0.000 1.196 432 G CA -0.630 44.282 45.100 -0.314 0.000 0.908 432 G HN 0.890 nan 8.290 nan 0.000 0.524 433 R N 0.235 120.523 120.500 -0.354 0.000 2.491 433 R HA 0.246 4.586 4.340 -0.000 0.000 0.283 433 R C 1.068 177.230 176.300 -0.230 0.000 1.072 433 R CA -0.378 55.546 56.100 -0.295 0.000 1.048 433 R CB 0.385 30.525 30.300 -0.267 0.000 0.983 433 R HN 0.504 nan 8.270 nan 0.000 0.450 434 I N 2.312 122.733 120.570 -0.249 0.000 2.296 434 I HA 0.037 4.207 4.170 -0.000 0.000 0.242 434 I C 1.486 177.545 176.117 -0.097 0.000 1.087 434 I CA 0.953 62.151 61.300 -0.170 0.000 1.393 434 I CB -0.357 37.483 38.000 -0.267 0.000 1.093 434 I HN 0.733 nan 8.210 nan 0.000 0.421 435 G N -1.036 107.714 108.800 -0.084 0.000 2.543 435 G HA2 0.437 4.397 3.960 -0.000 0.000 0.290 435 G HA3 0.437 4.397 3.960 -0.000 0.000 0.290 435 G C 0.776 175.616 174.900 -0.100 0.000 1.310 435 G CA 0.265 45.324 45.100 -0.068 0.000 1.025 435 G HN 0.500 nan 8.290 nan 0.000 0.502 436 G N -1.989 106.748 108.800 -0.105 0.000 2.345 436 G HA2 0.386 4.346 3.960 -0.000 0.000 0.218 436 G HA3 0.386 4.346 3.960 -0.000 0.000 0.218 436 G C 1.164 176.009 174.900 -0.090 0.000 1.058 436 G CA 0.871 45.911 45.100 -0.099 0.000 0.632 436 G HN 2.866 nan 8.290 nan 0.000 0.508 437 G N -0.675 108.075 108.800 -0.083 0.000 2.587 437 G HA2 0.437 4.397 3.960 -0.000 0.000 0.686 437 G HA3 0.437 4.397 3.960 -0.000 0.000 0.686 437 G C 0.134 175.019 174.900 -0.026 0.000 1.236 437 G CA 0.306 45.377 45.100 -0.048 0.000 0.820 437 G HN 1.707 nan 8.290 nan 0.000 0.645 438 R N -0.828 119.675 120.500 0.005 0.000 3.225 438 R HA -0.237 4.103 4.340 -0.000 0.000 0.245 438 R C 0.419 176.717 176.300 -0.003 0.000 0.928 438 R CA 1.131 57.233 56.100 0.004 0.000 0.632 438 R CB -1.178 29.121 30.300 -0.001 0.000 1.038 438 R HN 0.788 nan 8.270 nan 0.000 0.461 439 N N 0.303 119.004 118.700 0.001 0.000 2.390 439 N HA 0.241 4.981 4.740 -0.000 0.000 0.259 439 N C -0.921 174.624 175.510 0.058 0.000 1.395 439 N CA -0.246 52.803 53.050 -0.001 0.000 0.852 439 N CB 0.843 39.279 38.487 -0.085 0.000 1.371 439 N HN 0.304 nan 8.380 nan 0.000 0.491 440 I N 0.657 121.279 120.570 0.087 0.000 2.328 440 I HA 0.165 4.335 4.170 -0.000 0.000 0.287 440 I C 0.084 176.285 176.117 0.139 0.000 1.012 440 I CA -0.833 60.545 61.300 0.130 0.000 1.195 440 I CB 0.916 38.992 38.000 0.127 0.000 1.350 440 I HN 0.144 nan 8.210 nan 0.000 0.464 441 D N 6.078 126.582 120.400 0.172 0.000 2.531 441 D HA -0.149 4.491 4.640 -0.000 0.000 0.239 441 D C 1.443 177.790 176.300 0.079 0.000 1.144 441 D CA 0.307 54.409 54.000 0.171 0.000 0.869 441 D CB 0.778 41.699 40.800 0.201 0.000 1.160 441 D HN 0.714 nan 8.370 nan 0.000 0.484 442 H N 3.216 122.320 119.070 0.057 0.000 2.466 442 H HA -0.183 4.373 4.556 -0.000 0.000 0.297 442 H C 1.340 176.634 175.328 -0.057 0.000 1.113 442 H CA 1.788 57.827 56.048 -0.014 0.000 1.273 442 H CB -0.278 29.448 29.762 -0.060 0.000 1.371 442 H HN 0.551 nan 8.280 nan 0.000 0.528 443 H N 0.682 119.264 119.070 -0.814 0.000 2.456 443 H HA -0.039 4.517 4.556 -0.000 0.000 0.296 443 H C 1.603 176.804 175.328 -0.212 0.000 1.079 443 H CA 1.651 57.322 56.048 -0.629 0.000 1.322 443 H CB 0.294 29.436 29.762 -1.032 0.000 1.388 443 H HN 0.703 nan 8.280 nan 0.000 0.538 444 I N -2.072 118.456 120.570 -0.070 0.000 4.050 444 I HA 0.079 4.249 4.170 -0.000 0.000 0.327 444 I C 1.547 177.549 176.117 -0.192 0.000 1.473 444 I CA -0.068 61.164 61.300 -0.112 0.000 1.124 444 I CB 0.052 37.984 38.000 -0.113 0.000 1.129 444 I HN -0.074 nan 8.210 nan 0.000 0.428 445 L N 2.677 123.882 121.223 -0.029 0.000 2.187 445 L HA -0.217 4.123 4.340 -0.000 0.000 0.213 445 L C 2.841 179.699 176.870 -0.020 0.000 1.100 445 L CA 2.137 56.979 54.840 0.003 0.000 0.765 445 L CB -0.755 41.343 42.059 0.065 0.000 0.904 445 L HN 0.524 nan 8.230 nan 0.000 0.437 446 H N -2.084 116.978 119.070 -0.013 0.000 2.387 446 H HA -0.117 4.439 4.556 -0.000 0.000 0.299 446 H C 1.973 177.284 175.328 -0.028 0.000 1.099 446 H CA 1.831 57.871 56.048 -0.012 0.000 1.315 446 H CB -1.165 28.590 29.762 -0.012 0.000 1.380 446 H HN 0.307 nan 8.280 nan 0.000 0.513 447 V N 2.247 121.731 119.914 -0.716 0.000 2.252 447 V HA -0.290 3.830 4.120 -0.000 0.000 0.249 447 V C 3.301 179.273 176.094 -0.203 0.000 1.056 447 V CA 2.163 64.169 62.300 -0.490 0.000 1.022 447 V CB -1.339 30.052 31.823 -0.719 0.000 0.641 447 V HN 0.666 nan 8.190 nan 0.000 0.445 448 A N -0.199 122.551 122.820 -0.117 0.000 1.972 448 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 448 A C 2.357 179.956 177.584 0.025 0.000 1.169 448 A CA 1.993 54.044 52.037 0.025 0.000 0.635 448 A CB -0.665 18.463 19.000 0.213 0.000 0.810 448 A HN 0.388 nan 8.150 nan 0.000 0.446 449 V N 0.563 120.492 119.914 0.024 0.000 2.343 449 V HA -0.248 3.872 4.120 -0.000 0.000 0.247 449 V C 2.128 178.235 176.094 0.021 0.000 1.051 449 V CA 2.166 64.496 62.300 0.050 0.000 1.036 449 V CB -0.798 31.065 31.823 0.067 0.000 0.654 449 V HN 0.519 nan 8.190 nan 0.000 0.451 450 D N 0.372 120.768 120.400 -0.006 0.000 2.097 450 D HA -0.129 4.511 4.640 -0.000 0.000 0.195 450 D C 2.261 178.508 176.300 -0.089 0.000 0.989 450 D CA 1.495 55.482 54.000 -0.022 0.000 0.827 450 D CB -0.205 40.593 40.800 -0.003 0.000 0.966 450 D HN 0.345 nan 8.370 nan 0.000 0.456 451 V N 1.763 121.557 119.914 -0.200 0.000 2.324 451 V HA -0.254 3.866 4.120 -0.000 0.000 0.250 451 V C 2.560 178.519 176.094 -0.226 0.000 1.060 451 V CA 1.251 63.319 62.300 -0.387 0.000 1.042 451 V CB -0.439 30.872 31.823 -0.854 0.000 0.650 451 V HN 0.186 nan 8.190 nan 0.000 0.450 452 I N -0.410 120.110 120.570 -0.083 0.000 2.142 452 I HA -0.265 3.905 4.170 -0.000 0.000 0.240 452 I C 2.563 178.702 176.117 0.036 0.000 1.078 452 I CA 1.738 63.065 61.300 0.044 0.000 1.343 452 I CB -0.484 37.590 38.000 0.123 0.000 1.046 452 I HN 0.270 nan 8.210 nan 0.000 0.405 453 K N 0.599 121.012 120.400 0.021 0.000 2.032 453 K HA -0.267 4.053 4.320 -0.000 0.000 0.209 453 K C 2.088 178.695 176.600 0.010 0.000 1.048 453 K CA 1.826 58.129 56.287 0.026 0.000 0.927 453 K CB -0.319 32.196 32.500 0.024 0.000 0.712 453 K HN 0.322 nan 8.250 nan 0.000 0.441 454 E N 0.968 121.154 120.200 -0.023 0.000 2.160 454 E HA -0.208 4.142 4.350 -0.000 0.000 0.195 454 E C 2.040 178.621 176.600 -0.031 0.000 0.991 454 E CA 1.462 57.841 56.400 -0.035 0.000 0.810 454 E CB 0.036 29.690 29.700 -0.077 0.000 0.742 454 E HN 0.300 nan 8.360 nan 0.000 0.466 455 S N 0.176 115.859 115.700 -0.029 0.000 2.402 455 S HA -0.141 4.329 4.470 -0.000 0.000 0.229 455 S C 1.919 176.542 174.600 0.039 0.000 1.021 455 S CA 0.820 59.021 58.200 0.002 0.000 0.974 455 S CB -0.216 63.015 63.200 0.052 0.000 0.800 455 S HN 0.254 nan 8.310 nan 0.000 0.484 456 R N 0.396 120.927 120.500 0.052 0.000 2.092 456 R HA 0.059 4.399 4.340 -0.000 0.000 0.231 456 R C 2.313 178.641 176.300 0.047 0.000 1.119 456 R CA 1.348 57.486 56.100 0.065 0.000 0.970 456 R CB -0.622 29.721 30.300 0.072 0.000 0.864 456 R HN 0.381 nan 8.270 nan 0.000 0.440 457 V N 1.007 120.940 119.914 0.032 0.000 2.427 457 V HA -0.185 3.935 4.120 -0.000 0.000 0.248 457 V C 1.964 178.073 176.094 0.025 0.000 1.051 457 V CA 1.269 63.587 62.300 0.030 0.000 1.048 457 V CB -0.351 31.486 31.823 0.024 0.000 0.666 457 V HN 0.194 nan 8.190 nan 0.000 0.456 458 L N -0.137 121.094 121.223 0.013 0.000 2.376 458 L HA 0.096 4.436 4.340 -0.000 0.000 0.219 458 L C 1.463 178.347 176.870 0.024 0.000 1.133 458 L CA 1.051 55.894 54.840 0.005 0.000 0.816 458 L CB -1.308 40.738 42.059 -0.021 0.000 0.933 458 L HN 0.441 nan 8.230 nan 0.000 0.449 459 R N -1.359 119.166 120.500 0.040 0.000 3.531 459 R HA -0.177 4.163 4.340 -0.000 0.000 0.280 459 R C -0.152 176.188 176.300 0.067 0.000 1.130 459 R CA -0.099 56.035 56.100 0.058 0.000 0.757 459 R CB -2.152 28.179 30.300 0.051 0.000 1.218 459 R HN 0.115 nan 8.270 nan 0.000 0.454 460 L N 1.498 122.760 121.223 0.066 0.000 2.529 460 L HA -0.017 4.323 4.340 -0.000 0.000 0.287 460 L C 1.615 178.567 176.870 0.136 0.000 1.241 460 L CA 1.231 56.121 54.840 0.084 0.000 0.857 460 L CB 0.134 42.206 42.059 0.022 0.000 1.113 460 L HN 0.281 nan 8.230 nan 0.000 0.504 461 Q N 2.723 122.610 119.800 0.145 0.000 2.526 461 Q HA 0.204 4.544 4.340 -0.000 0.000 0.207 461 Q C -2.046 174.061 176.000 0.179 0.000 1.078 461 Q CA -1.429 54.394 55.803 0.032 0.000 1.041 461 Q CB 0.229 28.757 28.738 -0.350 0.000 1.228 461 Q HN 0.429 nan 8.270 nan 0.000 0.603 462 P HA -0.048 nan 4.420 nan 0.000 0.272 462 P C -0.299 177.204 177.300 0.338 0.000 1.223 462 P CA 0.048 63.285 63.100 0.229 0.000 0.784 462 P CB 0.356 32.163 31.700 0.178 0.000 0.923 463 F N 2.874 122.976 119.950 0.254 0.000 2.043 463 F HA -0.308 4.219 4.527 -0.000 0.000 0.297 463 F C 1.887 177.825 175.800 0.230 0.000 1.121 463 F CA 1.979 60.170 58.000 0.318 0.000 1.199 463 F CB -0.674 38.412 39.000 0.143 0.000 0.968 463 F HN 0.261 nan 8.300 nan 0.000 0.478 464 N N 0.558 119.429 118.700 0.285 0.000 2.184 464 N HA -0.191 4.549 4.740 -0.000 0.000 0.190 464 N C 1.740 177.225 175.510 -0.041 0.000 1.011 464 N CA 1.427 54.535 53.050 0.097 0.000 0.867 464 N CB -0.350 38.204 38.487 0.112 0.000 0.993 464 N HN 0.441 nan 8.380 nan 0.000 0.433 465 E N -0.447 119.713 120.200 -0.066 0.000 2.028 465 E HA -0.104 4.246 4.350 -0.000 0.000 0.190 465 E C 1.883 178.344 176.600 -0.232 0.000 0.984 465 E CA 0.768 57.034 56.400 -0.223 0.000 0.800 465 E CB -0.547 28.896 29.700 -0.428 0.000 0.758 465 E HN 0.482 nan 8.360 nan 0.000 0.448 466 Y N 1.466 121.709 120.300 -0.095 0.000 2.207 466 Y HA -0.187 4.363 4.550 -0.000 0.000 0.287 466 Y C 2.505 178.392 175.900 -0.021 0.000 1.156 466 Y CA 1.266 59.371 58.100 0.009 0.000 1.182 466 Y CB -0.137 38.392 38.460 0.114 0.000 0.979 466 Y HN -0.031 nan 8.280 nan 0.000 0.521 467 R N 0.685 121.125 120.500 -0.100 0.000 2.094 467 R HA -0.203 4.137 4.340 -0.000 0.000 0.239 467 R C 2.020 178.275 176.300 -0.076 0.000 1.137 467 R CA 1.844 57.835 56.100 -0.182 0.000 0.943 467 R CB -0.610 29.518 30.300 -0.287 0.000 0.850 467 R HN 0.424 nan 8.270 nan 0.000 0.433 468 K N 0.110 120.447 120.400 -0.105 0.000 2.002 468 K HA -0.179 4.141 4.320 -0.000 0.000 0.209 468 K C 2.172 178.712 176.600 -0.100 0.000 1.048 468 K CA 1.409 57.626 56.287 -0.117 0.000 0.930 468 K CB -0.317 32.083 32.500 -0.166 0.000 0.714 468 K HN -0.059 nan 8.250 nan 0.000 0.438 469 R N 1.241 121.670 120.500 -0.118 0.000 2.119 469 R HA -0.140 4.200 4.340 -0.000 0.000 0.246 469 R C 1.262 177.438 176.300 -0.207 0.000 1.146 469 R CA 1.593 57.589 56.100 -0.175 0.000 0.962 469 R CB -0.689 29.479 30.300 -0.221 0.000 0.863 469 R HN 0.141 nan 8.270 nan 0.000 0.442 470 F N -0.045 119.868 119.950 -0.061 0.000 2.696 470 F HA 0.288 4.815 4.527 -0.000 0.000 0.296 470 F C 1.313 177.080 175.800 -0.056 0.000 1.181 470 F CA 0.663 58.629 58.000 -0.058 0.000 1.411 470 F CB 0.465 39.441 39.000 -0.039 0.000 1.014 470 F HN 0.379 nan 8.300 nan 0.000 0.512 471 G N 0.510 109.332 108.800 0.037 0.000 2.137 471 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.237 471 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.237 471 G C 0.085 174.994 174.900 0.015 0.000 1.002 471 G CA 0.004 45.119 45.100 0.026 0.000 0.702 471 G HN 0.316 nan 8.290 nan 0.000 0.515 472 M N -1.288 118.304 119.600 -0.014 0.000 2.777 472 M HA 0.660 5.140 4.480 -0.000 0.000 0.307 472 M C 0.230 176.471 176.300 -0.098 0.000 1.228 472 M CA -1.101 54.164 55.300 -0.058 0.000 0.871 472 M CB 1.582 34.129 32.600 -0.089 0.000 1.721 472 M HN -0.032 nan 8.290 nan 0.000 0.487 473 K N 2.032 122.355 120.400 -0.129 0.000 2.185 473 K HA 0.436 4.756 4.320 -0.000 0.000 0.271 473 K C -2.416 174.055 176.600 -0.215 0.000 1.013 473 K CA -1.252 54.953 56.287 -0.136 0.000 0.943 473 K CB 0.634 33.065 32.500 -0.115 0.000 0.998 473 K HN 0.189 nan 8.250 nan 0.000 0.468 474 P HA 0.098 nan 4.420 nan 0.000 0.282 474 P C -0.914 176.302 177.300 -0.139 0.000 1.249 474 P CA -0.360 62.652 63.100 -0.147 0.000 0.806 474 P CB 0.491 32.151 31.700 -0.066 0.000 0.984 475 Y N 0.607 120.909 120.300 0.003 0.000 2.497 475 Y HA 0.017 4.567 4.550 -0.000 0.000 0.334 475 Y C 2.118 177.980 175.900 -0.064 0.000 1.199 475 Y CA 0.950 59.033 58.100 -0.028 0.000 1.425 475 Y CB -0.021 38.410 38.460 -0.048 0.000 1.291 475 Y HN 0.347 nan 8.280 nan 0.000 0.562 476 T N -0.893 113.739 114.554 0.131 0.000 3.057 476 T HA 0.094 4.444 4.350 -0.000 0.000 0.254 476 T C 0.222 174.929 174.700 0.011 0.000 1.094 476 T CA 0.612 62.743 62.100 0.051 0.000 1.088 476 T CB -0.080 68.819 68.868 0.051 0.000 0.934 476 T HN 0.559 nan 8.240 nan 0.000 0.497 477 S N -0.835 114.857 115.700 -0.014 0.000 2.615 477 S HA 0.566 5.036 4.470 -0.000 0.000 0.269 477 S C -0.190 174.304 174.600 -0.177 0.000 1.161 477 S CA -0.878 57.287 58.200 -0.058 0.000 0.817 477 S CB 0.376 63.596 63.200 0.033 0.000 1.131 477 S HN -0.081 nan 8.310 nan 0.000 0.467 478 F N 1.658 121.570 119.950 -0.063 0.000 2.259 478 F HA 0.023 4.550 4.527 -0.000 0.000 0.298 478 F C 2.698 178.399 175.800 -0.165 0.000 1.088 478 F CA 1.117 59.033 58.000 -0.140 0.000 1.358 478 F CB -0.065 38.868 39.000 -0.110 0.000 1.040 478 F HN 0.598 nan 8.300 nan 0.000 0.505 479 Q N 0.459 120.298 119.800 0.064 0.000 2.436 479 Q HA -0.160 4.180 4.340 -0.000 0.000 0.209 479 Q C 1.601 177.575 176.000 -0.044 0.000 0.965 479 Q CA 1.044 56.851 55.803 0.006 0.000 0.910 479 Q CB -0.672 28.084 28.738 0.030 0.000 0.980 479 Q HN 0.571 nan 8.270 nan 0.000 0.491 480 E N 0.575 120.730 120.200 -0.075 0.000 2.140 480 E HA -0.056 4.294 4.350 -0.000 0.000 0.191 480 E C 1.847 178.284 176.600 -0.272 0.000 0.973 480 E CA 0.056 56.422 56.400 -0.057 0.000 0.829 480 E CB 0.173 29.921 29.700 0.079 0.000 0.781 480 E HN 0.233 nan 8.360 nan 0.000 0.466 481 L N 1.411 122.270 121.223 -0.606 0.000 1.937 481 L HA -0.054 4.286 4.340 -0.000 0.000 0.213 481 L C 1.354 177.928 176.870 -0.493 0.000 1.077 481 L CA 1.958 56.180 54.840 -1.031 0.000 0.758 481 L CB -0.841 40.673 42.059 -0.908 0.000 0.888 481 L HN 0.155 nan 8.230 nan 0.000 0.433 482 T N -2.114 112.252 114.554 -0.313 0.000 2.899 482 T HA 0.366 4.716 4.350 -0.000 0.000 0.295 482 T C 0.864 175.484 174.700 -0.135 0.000 1.033 482 T CA -0.277 61.703 62.100 -0.199 0.000 1.084 482 T CB 1.016 69.793 68.868 -0.153 0.000 0.979 482 T HN 0.414 nan 8.240 nan 0.000 0.532 483 G N 1.321 110.067 108.800 -0.091 0.000 3.379 483 G HA2 0.427 4.387 3.960 -0.000 0.000 0.253 483 G HA3 0.427 4.387 3.960 -0.000 0.000 0.253 483 G C 0.079 174.959 174.900 -0.032 0.000 1.262 483 G CA -0.282 44.788 45.100 -0.050 0.000 0.959 483 G HN 0.973 nan 8.290 nan 0.000 0.524 484 E N -2.041 118.136 120.200 -0.038 0.000 2.421 484 E HA 0.585 4.935 4.350 -0.000 0.000 0.265 484 E C 0.242 176.834 176.600 -0.012 0.000 0.990 484 E CA -0.932 55.456 56.400 -0.020 0.000 0.874 484 E CB 0.738 30.427 29.700 -0.019 0.000 1.646 484 E HN -0.221 nan 8.360 nan 0.000 0.451 485 K N -0.227 120.171 120.400 -0.002 0.000 2.370 485 K HA 0.189 4.509 4.320 -0.000 0.000 0.194 485 K C 1.293 177.897 176.600 0.006 0.000 1.070 485 K CA 0.538 56.829 56.287 0.005 0.000 0.998 485 K CB 0.439 32.946 32.500 0.010 0.000 0.911 485 K HN 0.648 nan 8.250 nan 0.000 0.533 486 E N 1.053 121.257 120.200 0.007 0.000 2.004 486 E HA -0.033 4.317 4.350 -0.000 0.000 0.192 486 E C 1.974 178.590 176.600 0.026 0.000 0.987 486 E CA 0.984 57.395 56.400 0.019 0.000 0.822 486 E CB 0.076 29.791 29.700 0.024 0.000 0.779 486 E HN 0.029 nan 8.360 nan 0.000 0.458 487 M N 0.335 119.951 119.600 0.026 0.000 2.106 487 M HA -0.227 4.253 4.480 -0.000 0.000 0.259 487 M C 2.414 178.648 176.300 -0.110 0.000 1.068 487 M CA 1.560 56.863 55.300 0.005 0.000 1.100 487 M CB -0.323 32.246 32.600 -0.052 0.000 1.351 487 M HN 0.294 nan 8.290 nan 0.000 0.404 488 A N 0.402 123.177 122.820 -0.076 0.000 1.927 488 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 488 A C 2.326 179.858 177.584 -0.088 0.000 1.185 488 A CA 2.310 54.323 52.037 -0.040 0.000 0.639 488 A CB -1.057 17.955 19.000 0.020 0.000 0.820 488 A HN 0.559 nan 8.150 nan 0.000 0.451 489 A N -0.682 122.107 122.820 -0.050 0.000 1.877 489 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 489 A C 2.060 179.588 177.584 -0.093 0.000 1.186 489 A CA 1.943 53.949 52.037 -0.051 0.000 0.620 489 A CB -0.584 18.412 19.000 -0.007 0.000 0.822 489 A HN 0.682 nan 8.150 nan 0.000 0.443 490 E N -0.234 119.939 120.200 -0.044 0.000 2.072 490 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 490 E C 1.937 178.478 176.600 -0.099 0.000 0.985 490 E CA 0.953 57.365 56.400 0.019 0.000 0.801 490 E CB -0.221 29.608 29.700 0.216 0.000 0.750 490 E HN 0.602 nan 8.360 nan 0.000 0.452 491 L N 0.683 121.726 121.223 -0.300 0.000 2.127 491 L HA -0.206 4.134 4.340 -0.000 0.000 0.211 491 L C 2.623 178.945 176.870 -0.912 0.000 1.089 491 L CA 1.509 56.050 54.840 -0.499 0.000 0.757 491 L CB -0.392 41.328 42.059 -0.565 0.000 0.899 491 L HN 0.299 nan 8.230 nan 0.000 0.434 492 E N 0.642 120.225 120.200 -1.028 0.000 2.047 492 E HA -0.261 4.089 4.350 -0.000 0.000 0.191 492 E C 2.029 178.450 176.600 -0.299 0.000 0.987 492 E CA 1.459 57.349 56.400 -0.850 0.000 0.799 492 E CB 0.075 29.578 29.700 -0.327 0.000 0.752 492 E HN 0.631 nan 8.360 nan 0.000 0.449 493 E N 0.290 120.383 120.200 -0.180 0.000 2.204 493 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 493 E C 2.166 178.727 176.600 -0.065 0.000 0.989 493 E CA 0.724 57.081 56.400 -0.073 0.000 0.824 493 E CB -0.179 29.501 29.700 -0.032 0.000 0.756 493 E HN 0.330 nan 8.360 nan 0.000 0.477 494 L N -0.526 120.643 121.223 -0.091 0.000 2.049 494 L HA -0.062 4.278 4.340 -0.000 0.000 0.203 494 L C 2.193 178.956 176.870 -0.179 0.000 1.074 494 L CA 1.054 55.830 54.840 -0.108 0.000 0.749 494 L CB -0.266 41.752 42.059 -0.068 0.000 0.907 494 L HN 0.106 nan 8.230 nan 0.000 0.439 495 Y N -0.494 119.769 120.300 -0.062 0.000 2.314 495 Y HA 0.037 4.587 4.550 -0.000 0.000 0.294 495 Y C 2.065 178.023 175.900 0.097 0.000 1.119 495 Y CA 1.071 59.206 58.100 0.059 0.000 1.179 495 Y CB -0.125 38.448 38.460 0.188 0.000 1.025 495 Y HN 0.304 nan 8.280 nan 0.000 0.541 496 G N -0.976 107.943 108.800 0.199 0.000 2.383 496 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.229 496 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.229 496 G C 0.010 175.085 174.900 0.291 0.000 1.089 496 G CA 0.341 45.551 45.100 0.183 0.000 0.640 496 G HN 0.360 nan 8.290 nan 0.000 0.510 497 D N -0.693 119.951 120.400 0.408 0.000 2.857 497 D HA 0.488 5.128 4.640 -0.000 0.000 0.227 497 D C 0.961 177.427 176.300 0.276 0.000 1.192 497 D CA -0.527 53.672 54.000 0.333 0.000 0.857 497 D CB 1.842 42.759 40.800 0.195 0.000 1.645 497 D HN 0.065 nan 8.370 nan 0.000 0.482 498 I N 2.010 122.520 120.570 -0.100 0.000 2.493 498 I HA -0.130 4.040 4.170 -0.000 0.000 0.254 498 I C 1.138 177.144 176.117 -0.186 0.000 1.160 498 I CA 1.360 62.284 61.300 -0.627 0.000 1.445 498 I CB -0.013 37.582 38.000 -0.675 0.000 1.086 498 I HN 0.341 nan 8.210 nan 0.000 0.433 499 D N 0.486 120.874 120.400 -0.020 0.000 2.338 499 D HA 0.111 4.751 4.640 -0.000 0.000 0.239 499 D C 1.507 177.874 176.300 0.111 0.000 1.095 499 D CA 0.845 54.880 54.000 0.060 0.000 0.888 499 D CB 0.344 41.192 40.800 0.079 0.000 0.899 499 D HN 0.507 nan 8.370 nan 0.000 0.525 500 A N -0.020 122.870 122.820 0.116 0.000 2.390 500 A HA 0.112 4.432 4.320 -0.000 0.000 0.225 500 A C 0.781 178.417 177.584 0.087 0.000 1.232 500 A CA -0.323 51.826 52.037 0.186 0.000 0.964 500 A CB 0.367 19.538 19.000 0.285 0.000 1.064 500 A HN 0.167 nan 8.150 nan 0.000 0.525 501 L N 2.287 123.431 121.223 -0.132 0.000 2.559 501 L HA 0.120 4.460 4.340 -0.000 0.000 0.274 501 L C 0.386 177.146 176.870 -0.184 0.000 1.205 501 L CA 0.305 54.817 54.840 -0.546 0.000 0.907 501 L CB -0.131 41.668 42.059 -0.433 0.000 1.153 501 L HN 0.424 nan 8.230 nan 0.000 0.490 502 E N 3.431 123.519 120.200 -0.187 0.000 2.397 502 E HA -0.034 4.316 4.350 -0.000 0.000 0.254 502 E C 0.425 177.190 176.600 0.275 0.000 1.231 502 E CA -0.254 56.242 56.400 0.160 0.000 0.954 502 E CB 0.302 30.151 29.700 0.248 0.000 1.024 502 E HN 0.635 nan 8.360 nan 0.000 0.481 503 F N 0.721 120.797 119.950 0.211 0.000 2.000 503 F HA -0.264 4.263 4.527 -0.000 0.000 0.295 503 F C 2.238 178.172 175.800 0.224 0.000 1.159 503 F CA 1.576 59.735 58.000 0.265 0.000 1.171 503 F CB -0.655 38.410 39.000 0.107 0.000 0.971 503 F HN 0.566 nan 8.300 nan 0.000 0.479 504 Y N 1.204 121.516 120.300 0.021 0.000 2.128 504 Y HA -0.121 4.429 4.550 -0.000 0.000 0.284 504 Y C -0.809 175.009 175.900 -0.138 0.000 1.154 504 Y CA 1.903 59.918 58.100 -0.142 0.000 1.149 504 Y CB -1.921 36.505 38.460 -0.056 0.000 0.976 504 Y HN 0.084 nan 8.280 nan 0.000 0.505 505 P HA -0.092 nan 4.420 nan 0.000 0.216 505 P C 1.697 178.765 177.300 -0.386 0.000 1.153 505 P CA 2.296 65.281 63.100 -0.192 0.000 0.848 505 P CB -0.382 31.322 31.700 0.007 0.000 0.787 506 G N -0.283 108.211 108.800 -0.510 0.000 2.418 506 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.217 506 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.217 506 G C 1.533 175.847 174.900 -0.976 0.000 1.158 506 G CA 0.465 44.929 45.100 -1.061 0.000 0.771 506 G HN 0.197 nan 8.290 nan 0.000 0.545 507 L N -0.144 120.741 121.223 -0.564 0.000 2.013 507 L HA -0.066 4.274 4.340 -0.000 0.000 0.212 507 L C 2.907 179.573 176.870 -0.339 0.000 1.073 507 L CA 1.001 55.660 54.840 -0.302 0.000 0.753 507 L CB -0.223 41.612 42.059 -0.373 0.000 0.890 507 L HN 0.202 nan 8.230 nan 0.000 0.432 508 L N -1.183 119.769 121.223 -0.451 0.000 2.179 508 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 508 L C 2.237 178.942 176.870 -0.275 0.000 1.096 508 L CA 0.731 55.352 54.840 -0.365 0.000 0.779 508 L CB -0.220 41.553 42.059 -0.476 0.000 0.922 508 L HN 0.296 nan 8.230 nan 0.000 0.443 509 L N -0.511 120.521 121.223 -0.319 0.000 2.375 509 L HA -0.000 4.340 4.340 -0.000 0.000 0.215 509 L C 1.310 178.010 176.870 -0.282 0.000 1.108 509 L CA -0.017 54.657 54.840 -0.278 0.000 0.830 509 L CB -0.221 41.649 42.059 -0.315 0.000 0.959 509 L HN 0.268 nan 8.230 nan 0.000 0.457 510 E N 3.242 123.244 120.200 -0.330 0.000 2.502 510 E HA -0.076 4.274 4.350 -0.000 0.000 0.261 510 E C -0.082 176.407 176.600 -0.185 0.000 0.974 510 E CA -0.361 55.868 56.400 -0.285 0.000 0.936 510 E CB 0.589 30.184 29.700 -0.176 0.000 0.926 510 E HN 0.169 nan 8.360 nan 0.000 0.459 511 K N 3.325 123.625 120.400 -0.168 0.000 2.484 511 K HA 0.017 4.337 4.320 -0.000 0.000 0.280 511 K C -0.587 175.957 176.600 -0.094 0.000 1.013 511 K CA -0.561 55.660 56.287 -0.111 0.000 1.029 511 K CB 0.297 32.747 32.500 -0.084 0.000 0.902 511 K HN 0.334 nan 8.250 nan 0.000 0.481 512 C N 3.145 122.400 119.300 -0.074 0.000 2.652 512 C HA 0.085 4.545 4.460 -0.000 0.000 0.412 512 C C 0.699 175.683 174.990 -0.010 0.000 1.294 512 C CA -0.303 58.681 59.018 -0.058 0.000 2.127 512 C CB -0.831 26.878 27.740 -0.051 0.000 2.691 512 C HN 0.783 nan 8.230 nan 0.000 0.615 513 H N 2.740 121.795 119.070 -0.024 0.000 2.790 513 H HA 0.055 4.611 4.556 -0.000 0.000 0.358 513 H C -1.166 174.170 175.328 0.013 0.000 1.103 513 H CA -0.464 55.572 56.048 -0.022 0.000 1.426 513 H CB 0.473 30.155 29.762 -0.133 0.000 1.424 513 H HN 0.527 nan 8.280 nan 0.000 0.599 514 P HA -0.318 nan 4.420 nan 0.000 0.223 514 P C -0.467 176.877 177.300 0.073 0.000 0.913 514 P CA 2.137 65.318 63.100 0.135 0.000 1.058 514 P CB 0.120 31.916 31.700 0.161 0.000 0.714 515 N N -2.496 116.237 118.700 0.055 0.000 2.642 515 N HA 0.248 4.988 4.740 -0.000 0.000 0.308 515 N C -1.160 174.321 175.510 -0.049 0.000 1.914 515 N CA -0.190 52.856 53.050 -0.006 0.000 0.893 515 N CB 0.638 39.122 38.487 -0.006 0.000 1.322 515 N HN 0.013 nan 8.380 nan 0.000 0.490 516 S N -0.150 115.523 115.700 -0.045 0.000 2.664 516 S HA 0.362 4.832 4.470 -0.000 0.000 0.304 516 S C 1.073 175.510 174.600 -0.272 0.000 1.099 516 S CA -0.776 57.343 58.200 -0.134 0.000 1.003 516 S CB 1.785 64.983 63.200 -0.003 0.000 1.092 516 S HN 0.269 nan 8.310 nan 0.000 0.525 517 I N 0.643 120.897 120.570 -0.527 0.000 2.830 517 I HA 0.052 4.222 4.170 -0.000 0.000 0.263 517 I C -0.650 175.123 176.117 -0.572 0.000 1.230 517 I CA 0.970 61.873 61.300 -0.661 0.000 1.480 517 I CB -0.018 37.415 38.000 -0.946 0.000 1.095 517 I HN 0.595 nan 8.210 nan 0.000 0.455 518 F N -1.652 118.168 119.950 -0.216 0.000 3.090 518 F HA 0.749 5.276 4.527 -0.000 0.000 0.324 518 F C -0.086 175.603 175.800 -0.185 0.000 1.189 518 F CA -1.167 56.709 58.000 -0.206 0.000 0.907 518 F CB -0.233 38.628 39.000 -0.232 0.000 1.445 518 F HN -0.336 nan 8.300 nan 0.000 0.500 519 G N -0.856 108.029 108.800 0.142 0.000 2.597 519 G HA2 0.452 4.412 3.960 -0.000 0.000 0.317 519 G HA3 0.452 4.412 3.960 -0.000 0.000 0.317 519 G C 0.187 174.933 174.900 -0.257 0.000 1.230 519 G CA -0.078 44.928 45.100 -0.157 0.000 0.996 519 G HN 1.041 nan 8.290 nan 0.000 0.490 520 E N -0.246 119.637 120.200 -0.528 0.000 2.170 520 E HA -0.302 4.048 4.350 -0.000 0.000 0.229 520 E C 2.374 178.897 176.600 -0.129 0.000 1.074 520 E CA 2.521 58.742 56.400 -0.300 0.000 0.930 520 E CB -0.294 29.288 29.700 -0.198 0.000 0.806 520 E HN 0.372 nan 8.360 nan 0.000 0.478 521 S N 0.052 115.701 115.700 -0.085 0.000 2.368 521 S HA -0.215 4.255 4.470 -0.000 0.000 0.225 521 S C 1.811 176.285 174.600 -0.211 0.000 1.030 521 S CA 1.509 59.648 58.200 -0.100 0.000 0.999 521 S CB -0.367 62.846 63.200 0.020 0.000 0.844 521 S HN 0.344 nan 8.310 nan 0.000 0.459 522 M N 1.201 120.616 119.600 -0.308 0.000 2.144 522 M HA -0.010 4.470 4.480 -0.000 0.000 0.260 522 M C 1.728 177.677 176.300 -0.586 0.000 1.067 522 M CA 1.476 56.456 55.300 -0.534 0.000 1.095 522 M CB -0.337 31.698 32.600 -0.941 0.000 1.365 522 M HN 0.328 nan 8.290 nan 0.000 0.406 523 I N -0.980 119.308 120.570 -0.471 0.000 2.429 523 I HA -0.119 4.051 4.170 -0.000 0.000 0.247 523 I C 1.728 177.795 176.117 -0.083 0.000 1.099 523 I CA 0.592 61.761 61.300 -0.218 0.000 1.422 523 I CB -0.142 37.881 38.000 0.038 0.000 1.112 523 I HN 0.165 nan 8.210 nan 0.000 0.430 524 E N 0.337 120.495 120.200 -0.071 0.000 2.409 524 E HA -0.159 4.191 4.350 -0.000 0.000 0.198 524 E C 1.834 178.372 176.600 -0.104 0.000 1.024 524 E CA 1.075 57.461 56.400 -0.023 0.000 0.861 524 E CB 0.120 29.826 29.700 0.009 0.000 0.788 524 E HN 0.567 nan 8.360 nan 0.000 0.521 525 M N -1.663 117.759 119.600 -0.298 0.000 2.638 525 M HA 0.140 4.620 4.480 -0.000 0.000 0.256 525 M C 2.105 178.150 176.300 -0.425 0.000 1.282 525 M CA 0.651 55.473 55.300 -0.797 0.000 1.155 525 M CB 0.400 32.560 32.600 -0.733 0.000 1.345 525 M HN 0.019 nan 8.290 nan 0.000 0.523 526 G N 0.293 109.024 108.800 -0.116 0.000 2.426 526 G HA2 0.022 3.982 3.960 -0.000 0.000 0.214 526 G HA3 0.022 3.982 3.960 -0.000 0.000 0.214 526 G C 1.601 176.582 174.900 0.135 0.000 1.156 526 G CA 0.820 46.002 45.100 0.137 0.000 0.802 526 G HN 0.434 nan 8.290 nan 0.000 0.534 527 A N 1.905 124.760 122.820 0.058 0.000 1.884 527 A HA -0.031 4.289 4.320 -0.000 0.000 0.219 527 A C 0.738 178.355 177.584 0.055 0.000 1.197 527 A CA 2.230 54.318 52.037 0.085 0.000 0.637 527 A CB -1.330 17.718 19.000 0.081 0.000 0.827 527 A HN 0.378 nan 8.150 nan 0.000 0.450 528 P HA -0.131 nan 4.420 nan 0.000 0.214 528 P C 1.106 178.347 177.300 -0.099 0.000 1.163 528 P CA 1.135 64.210 63.100 -0.042 0.000 0.883 528 P CB -0.229 31.448 31.700 -0.038 0.000 0.788 529 F N -0.470 119.400 119.950 -0.134 0.000 2.154 529 F HA -0.166 4.361 4.527 -0.000 0.000 0.301 529 F C 2.674 178.090 175.800 -0.641 0.000 1.087 529 F CA 1.492 59.190 58.000 -0.503 0.000 1.274 529 F CB -1.468 36.986 39.000 -0.910 0.000 1.009 529 F HN -0.065 nan 8.300 nan 0.000 0.485 530 S N -0.005 115.609 115.700 -0.143 0.000 2.335 530 S HA -0.084 4.386 4.470 -0.000 0.000 0.217 530 S C 2.139 176.772 174.600 0.055 0.000 1.032 530 S CA 0.961 59.190 58.200 0.048 0.000 0.985 530 S CB -0.463 62.901 63.200 0.274 0.000 0.896 530 S HN 0.264 nan 8.310 nan 0.000 0.445 531 L N 1.131 122.394 121.223 0.067 0.000 2.191 531 L HA -0.067 4.273 4.340 -0.000 0.000 0.212 531 L C 2.506 179.426 176.870 0.084 0.000 1.103 531 L CA 1.103 55.988 54.840 0.075 0.000 0.769 531 L CB -0.442 41.660 42.059 0.072 0.000 0.908 531 L HN 0.237 nan 8.230 nan 0.000 0.438 532 K N 1.146 121.579 120.400 0.055 0.000 2.025 532 K HA -0.084 4.236 4.320 -0.000 0.000 0.207 532 K C 1.889 178.511 176.600 0.036 0.000 1.049 532 K CA 1.629 57.963 56.287 0.077 0.000 0.933 532 K CB -0.863 31.630 32.500 -0.012 0.000 0.714 532 K HN 0.161 nan 8.250 nan 0.000 0.438 533 G N 0.030 108.794 108.800 -0.060 0.000 2.708 533 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.210 533 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.210 533 G C 1.094 175.967 174.900 -0.045 0.000 1.141 533 G CA 0.396 45.426 45.100 -0.117 0.000 0.788 533 G HN 0.232 nan 8.290 nan 0.000 0.531 534 L N -0.347 120.898 121.223 0.036 0.000 2.356 534 L HA 0.387 4.727 4.340 -0.000 0.000 0.193 534 L C 2.372 179.311 176.870 0.114 0.000 1.087 534 L CA 0.657 55.534 54.840 0.063 0.000 0.817 534 L CB -0.604 41.490 42.059 0.059 0.000 1.035 534 L HN 0.001 nan 8.230 nan 0.000 0.482 535 L N -0.215 121.103 121.223 0.158 0.000 2.291 535 L HA 0.055 4.395 4.340 -0.000 0.000 0.214 535 L C 2.306 179.436 176.870 0.433 0.000 1.120 535 L CA 1.510 56.476 54.840 0.210 0.000 0.799 535 L CB -2.071 39.963 42.059 -0.042 0.000 0.925 535 L HN 0.383 nan 8.230 nan 0.000 0.446 536 G N -0.348 108.682 108.800 0.384 0.000 2.559 536 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.216 536 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.216 536 G C 0.954 176.013 174.900 0.266 0.000 1.126 536 G CA -0.134 45.119 45.100 0.254 0.000 0.778 536 G HN 0.381 nan 8.290 nan 0.000 0.543 537 N N 1.320 120.164 118.700 0.240 0.000 2.412 537 N HA 0.023 4.763 4.740 -0.000 0.000 0.254 537 N C -0.765 174.874 175.510 0.214 0.000 1.232 537 N CA -1.284 51.876 53.050 0.184 0.000 0.880 537 N CB 1.847 40.436 38.487 0.169 0.000 1.076 537 N HN -0.020 nan 8.380 nan 0.000 0.458 538 P HA -0.184 nan 4.420 nan 0.000 0.217 538 P C 1.460 178.666 177.300 -0.157 0.000 1.148 538 P CA 1.358 64.355 63.100 -0.171 0.000 0.828 538 P CB -0.152 31.373 31.700 -0.292 0.000 0.783 539 I N -3.517 117.190 120.570 0.229 0.000 3.083 539 I HA -0.066 4.104 4.170 -0.000 0.000 0.273 539 I C 1.439 177.830 176.117 0.458 0.000 1.297 539 I CA 1.038 62.626 61.300 0.481 0.000 1.452 539 I CB -1.093 37.262 38.000 0.590 0.000 1.078 539 I HN -0.153 nan 8.210 nan 0.000 0.484 540 C N 1.278 120.726 119.300 0.246 0.000 2.791 540 C HA 0.236 4.696 4.460 -0.000 0.000 0.270 540 C C 1.727 176.694 174.990 -0.039 0.000 1.257 540 C CA 0.188 59.299 59.018 0.156 0.000 1.699 540 C CB -1.610 26.318 27.740 0.313 0.000 1.904 540 C HN 0.712 nan 8.230 nan 0.000 0.603 541 S N 1.655 117.100 115.700 -0.425 0.000 2.632 541 S HA 0.279 4.749 4.470 -0.000 0.000 0.267 541 S C -1.864 172.630 174.600 -0.177 0.000 1.276 541 S CA -0.653 56.988 58.200 -0.931 0.000 0.998 541 S CB 0.704 63.331 63.200 -0.954 0.000 0.953 541 S HN 0.048 nan 8.310 nan 0.000 0.547 542 P HA -0.009 nan 4.420 nan 0.000 0.223 542 P C 1.219 178.423 177.300 -0.160 0.000 1.151 542 P CA 0.829 63.578 63.100 -0.585 0.000 0.787 542 P CB 0.091 31.260 31.700 -0.885 0.000 0.788 543 E N -1.353 118.788 120.200 -0.097 0.000 2.107 543 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 543 E C 1.204 177.955 176.600 0.252 0.000 0.982 543 E CA 1.430 57.865 56.400 0.058 0.000 0.809 543 E CB -0.600 29.142 29.700 0.070 0.000 0.756 543 E HN 0.222 nan 8.360 nan 0.000 0.459 544 Y N -1.574 118.709 120.300 -0.027 0.000 2.509 544 Y HA 0.148 4.698 4.550 0.000 0.000 0.270 544 Y C 0.740 176.690 175.900 0.084 0.000 1.103 544 Y CA -0.424 57.664 58.100 -0.020 0.000 1.278 544 Y CB -0.360 38.101 38.460 0.003 0.000 1.087 544 Y HN 0.178 nan 8.280 nan 0.000 0.542 545 W N 3.904 125.323 121.300 0.197 0.000 1.303 545 W HA 0.168 4.828 4.660 -0.000 0.000 0.478 545 W C -0.607 176.026 176.519 0.190 0.000 0.604 545 W CA 0.149 57.676 57.345 0.304 0.000 2.319 545 W CB -0.446 29.317 29.460 0.505 0.000 1.443 545 W HN -0.082 nan 8.180 nan 0.000 0.249 546 K N 0.591 120.875 120.400 -0.193 0.000 2.328 546 K HA 0.441 4.761 4.320 -0.000 0.000 0.246 546 K C 0.664 176.821 176.600 -0.739 0.000 0.955 546 K CA -0.366 55.738 56.287 -0.305 0.000 0.817 546 K CB 1.931 34.326 32.500 -0.175 0.000 1.208 546 K HN 0.005 nan 8.250 nan 0.000 0.432 547 A N 1.023 123.488 122.820 -0.591 0.000 1.969 547 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 547 A C 2.046 179.468 177.584 -0.270 0.000 1.169 547 A CA 2.086 53.784 52.037 -0.565 0.000 0.635 547 A CB -0.640 18.362 19.000 0.003 0.000 0.810 547 A HN 0.797 nan 8.150 nan 0.000 0.445 548 S N -0.653 114.926 115.700 -0.203 0.000 2.399 548 S HA -0.164 4.306 4.470 -0.000 0.000 0.231 548 S C 1.767 176.237 174.600 -0.217 0.000 1.022 548 S CA 1.900 60.024 58.200 -0.126 0.000 0.983 548 S CB -1.243 61.896 63.200 -0.102 0.000 0.803 548 S HN 0.482 nan 8.310 nan 0.000 0.480 549 T N 1.521 115.823 114.554 -0.420 0.000 2.759 549 T HA 0.001 4.351 4.350 -0.000 0.000 0.269 549 T C 0.634 174.944 174.700 -0.650 0.000 1.042 549 T CA 1.359 63.078 62.100 -0.635 0.000 1.140 549 T CB -0.495 67.818 68.868 -0.925 0.000 0.864 549 T HN 0.587 nan 8.240 nan 0.000 0.455 550 F N 0.328 120.183 119.950 -0.157 0.000 2.639 550 F HA 0.480 5.007 4.527 -0.000 0.000 0.300 550 F C 1.733 177.601 175.800 0.114 0.000 1.109 550 F CA -0.387 57.604 58.000 -0.015 0.000 1.335 550 F CB -0.216 38.776 39.000 -0.013 0.000 1.014 550 F HN 0.228 nan 8.300 nan 0.000 0.537 551 G N -0.183 108.773 108.800 0.260 0.000 2.176 551 G HA2 0.112 4.072 3.960 -0.000 0.000 0.253 551 G HA3 0.112 4.072 3.960 -0.000 0.000 0.253 551 G C 0.596 175.705 174.900 0.349 0.000 0.979 551 G CA -0.091 45.253 45.100 0.408 0.000 0.641 551 G HN 1.188 nan 8.290 nan 0.000 0.530 552 G N -1.223 107.711 108.800 0.222 0.000 2.343 552 G HA2 0.359 4.319 3.960 -0.000 0.000 0.562 552 G HA3 0.359 4.319 3.960 -0.000 0.000 0.562 552 G C 0.130 175.137 174.900 0.177 0.000 1.269 552 G CA 0.530 45.734 45.100 0.173 0.000 1.011 552 G HN 0.886 nan 8.290 nan 0.000 0.498 553 E N -0.564 119.721 120.200 0.142 0.000 2.070 553 E HA -0.157 4.193 4.350 -0.000 0.000 0.197 553 E C 2.851 179.533 176.600 0.137 0.000 1.004 553 E CA 3.103 59.594 56.400 0.153 0.000 0.805 553 E CB -0.319 29.432 29.700 0.086 0.000 0.744 553 E HN 1.344 nan 8.360 nan 0.000 0.451 554 V N -1.567 118.400 119.914 0.089 0.000 2.282 554 V HA -0.214 3.906 4.120 -0.000 0.000 0.249 554 V C 2.202 178.358 176.094 0.105 0.000 1.057 554 V CA 2.320 64.659 62.300 0.066 0.000 1.032 554 V CB -1.618 30.217 31.823 0.020 0.000 0.645 554 V HN 0.272 nan 8.190 nan 0.000 0.447 555 G N -1.144 107.754 108.800 0.163 0.000 2.421 555 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 555 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 555 G C 1.458 176.461 174.900 0.171 0.000 1.171 555 G CA 1.022 46.245 45.100 0.205 0.000 0.775 555 G HN 0.432 nan 8.290 nan 0.000 0.543 556 F N 2.435 122.382 119.950 -0.005 0.000 2.065 556 F HA -0.118 4.409 4.527 -0.000 0.000 0.298 556 F C 2.486 178.167 175.800 -0.198 0.000 1.112 556 F CA 1.431 59.312 58.000 -0.197 0.000 1.212 556 F CB -0.762 38.180 39.000 -0.096 0.000 0.975 556 F HN 0.081 nan 8.300 nan 0.000 0.476 557 N N 0.653 119.371 118.700 0.030 0.000 2.069 557 N HA -0.202 4.538 4.740 -0.000 0.000 0.191 557 N C 2.170 177.667 175.510 -0.020 0.000 1.031 557 N CA 1.256 54.270 53.050 -0.059 0.000 0.852 557 N CB -0.867 37.606 38.487 -0.023 0.000 1.018 557 N HN 0.302 nan 8.380 nan 0.000 0.423 558 L N 0.215 121.451 121.223 0.023 0.000 2.034 558 L HA -0.256 4.084 4.340 -0.000 0.000 0.217 558 L C 2.163 179.068 176.870 0.058 0.000 1.077 558 L CA 1.174 56.042 54.840 0.047 0.000 0.769 558 L CB -0.517 41.585 42.059 0.071 0.000 0.890 558 L HN 0.042 nan 8.230 nan 0.000 0.435 559 V N -0.515 119.410 119.914 0.018 0.000 2.270 559 V HA -0.283 3.837 4.120 -0.000 0.000 0.245 559 V C 2.265 178.445 176.094 0.142 0.000 1.043 559 V CA 1.918 64.266 62.300 0.078 0.000 1.014 559 V CB -0.448 31.346 31.823 -0.049 0.000 0.645 559 V HN 0.382 nan 8.190 nan 0.000 0.447 560 K N 0.205 120.611 120.400 0.011 0.000 2.442 560 K HA -0.097 4.223 4.320 -0.000 0.000 0.198 560 K C 1.627 178.256 176.600 0.048 0.000 1.044 560 K CA 1.658 57.947 56.287 0.004 0.000 0.948 560 K CB -0.237 32.142 32.500 -0.201 0.000 0.762 560 K HN 0.626 nan 8.250 nan 0.000 0.472 561 T N -0.988 113.598 114.554 0.053 0.000 2.959 561 T HA 0.279 4.629 4.350 -0.000 0.000 0.254 561 T C 0.583 175.329 174.700 0.076 0.000 1.003 561 T CA -0.094 62.037 62.100 0.052 0.000 0.950 561 T CB 0.275 69.157 68.868 0.024 0.000 1.090 561 T HN 0.169 nan 8.240 nan 0.000 0.503 562 A N 1.941 124.826 122.820 0.108 0.000 2.622 562 A HA 0.330 4.650 4.320 -0.000 0.000 0.236 562 A C 0.535 178.178 177.584 0.099 0.000 1.003 562 A CA 0.778 52.889 52.037 0.123 0.000 0.781 562 A CB -0.317 18.800 19.000 0.194 0.000 0.902 562 A HN 0.320 nan 8.150 nan 0.000 0.496 563 T N 2.373 116.964 114.554 0.062 0.000 2.982 563 T HA 0.366 4.716 4.350 -0.000 0.000 0.321 563 T C 0.895 175.583 174.700 -0.021 0.000 1.229 563 T CA -0.375 61.739 62.100 0.022 0.000 1.044 563 T CB 0.707 69.573 68.868 -0.003 0.000 1.184 563 T HN 0.755 nan 8.240 nan 0.000 0.477 564 L N 3.398 124.578 121.223 -0.072 0.000 2.129 564 L HA -0.070 4.270 4.340 -0.000 0.000 0.212 564 L C 2.174 178.954 176.870 -0.150 0.000 1.087 564 L CA 2.080 56.837 54.840 -0.140 0.000 0.757 564 L CB -0.414 41.397 42.059 -0.414 0.000 0.896 564 L HN 0.780 nan 8.230 nan 0.000 0.434 565 K N 0.007 120.322 120.400 -0.143 0.000 2.031 565 K HA -0.192 4.128 4.320 -0.000 0.000 0.205 565 K C 2.137 178.680 176.600 -0.095 0.000 1.049 565 K CA 1.273 57.484 56.287 -0.126 0.000 0.939 565 K CB 0.065 32.501 32.500 -0.107 0.000 0.717 565 K HN 0.222 nan 8.250 nan 0.000 0.438 566 K N 0.588 120.945 120.400 -0.071 0.000 2.057 566 K HA -0.163 4.157 4.320 -0.000 0.000 0.207 566 K C 2.045 178.595 176.600 -0.084 0.000 1.049 566 K CA 1.204 57.456 56.287 -0.058 0.000 0.931 566 K CB -0.232 32.251 32.500 -0.029 0.000 0.714 566 K HN 0.068 nan 8.250 nan 0.000 0.440 567 L N 0.910 122.069 121.223 -0.107 0.000 2.013 567 L HA -0.216 4.124 4.340 -0.000 0.000 0.212 567 L C 1.910 178.658 176.870 -0.202 0.000 1.073 567 L CA 1.710 56.432 54.840 -0.197 0.000 0.753 567 L CB -0.389 41.510 42.059 -0.268 0.000 0.890 567 L HN -0.057 nan 8.230 nan 0.000 0.432 568 V N -1.402 118.416 119.914 -0.161 0.000 2.249 568 V HA -0.258 3.862 4.120 -0.000 0.000 0.239 568 V C 2.464 178.486 176.094 -0.119 0.000 1.038 568 V CA 1.706 63.915 62.300 -0.150 0.000 1.005 568 V CB -0.711 31.029 31.823 -0.137 0.000 0.646 568 V HN 0.589 nan 8.190 nan 0.000 0.455 569 c N 0.172 118.713 118.600 -0.098 0.000 2.413 569 c HA -0.045 4.525 4.570 -0.000 0.000 0.292 569 c C 2.231 176.280 174.090 -0.068 0.000 1.435 569 c CA 0.419 56.702 56.329 -0.076 0.000 1.791 569 c CB -1.503 40.969 42.510 -0.063 0.000 1.784 569 c HN 0.475 nan 8.230 nan 0.000 0.548 570 L N 0.779 121.958 121.223 -0.073 0.000 2.607 570 L HA 0.172 4.512 4.340 -0.000 0.000 0.228 570 L C 1.247 178.075 176.870 -0.070 0.000 1.123 570 L CA 1.157 55.961 54.840 -0.060 0.000 0.890 570 L CB -0.367 41.663 42.059 -0.049 0.000 1.103 570 L HN 0.320 nan 8.230 nan 0.000 0.468 571 N N -1.101 117.545 118.700 -0.091 0.000 2.241 571 N HA 0.159 4.899 4.740 -0.000 0.000 0.238 571 N C -0.094 175.348 175.510 -0.113 0.000 1.244 571 N CA 0.276 53.263 53.050 -0.104 0.000 0.880 571 N CB 1.145 39.559 38.487 -0.121 0.000 1.179 571 N HN 0.220 nan 8.380 nan 0.000 0.513 572 T N -2.808 111.690 114.554 -0.094 0.000 2.909 572 T HA 0.392 4.742 4.350 -0.000 0.000 0.299 572 T C 0.991 175.653 174.700 -0.064 0.000 1.073 572 T CA -0.667 61.381 62.100 -0.087 0.000 0.999 572 T CB 2.630 71.449 68.868 -0.082 0.000 1.098 572 T HN -0.343 nan 8.240 nan 0.000 0.477 573 K N 1.338 121.705 120.400 -0.055 0.000 2.103 573 K HA 0.036 4.356 4.320 -0.000 0.000 0.207 573 K C 1.081 177.663 176.600 -0.030 0.000 1.048 573 K CA 1.395 57.659 56.287 -0.038 0.000 0.930 573 K CB -0.536 31.947 32.500 -0.029 0.000 0.716 573 K HN 0.931 nan 8.250 nan 0.000 0.444 574 T N -2.024 112.513 114.554 -0.028 0.000 2.900 574 T HA 0.251 4.601 4.350 -0.000 0.000 0.295 574 T C -0.538 174.147 174.700 -0.025 0.000 1.044 574 T CA -1.016 61.072 62.100 -0.021 0.000 0.995 574 T CB 1.983 70.845 68.868 -0.010 0.000 1.072 574 T HN 0.103 nan 8.240 nan 0.000 0.473 575 c N 5.534 124.121 118.600 -0.022 0.000 2.281 575 c HA 0.613 5.183 4.570 -0.000 0.000 0.336 575 c C -1.476 172.609 174.090 -0.009 0.000 1.217 575 c CA -1.244 55.069 56.329 -0.026 0.000 1.730 575 c CB -0.698 41.796 42.510 -0.027 0.000 2.338 575 c HN 0.812 nan 8.230 nan 0.000 0.521 576 P HA 0.162 nan 4.420 nan 0.000 0.312 576 P C -1.300 176.029 177.300 0.049 0.000 1.308 576 P CA -0.410 62.703 63.100 0.023 0.000 0.743 576 P CB 0.410 32.113 31.700 0.005 0.000 1.364 577 Y N 0.571 120.862 120.300 -0.014 0.000 2.436 577 Y HA 0.392 4.942 4.550 -0.000 0.000 0.343 577 Y C -0.743 175.155 175.900 -0.004 0.000 1.008 577 Y CA -0.686 57.409 58.100 -0.008 0.000 1.241 577 Y CB 0.007 38.468 38.460 0.003 0.000 1.153 577 Y HN 0.114 nan 8.280 nan 0.000 0.521 578 V N 6.929 126.515 119.914 -0.547 0.000 2.482 578 V HA 0.781 4.901 4.120 -0.000 0.000 0.295 578 V C -1.236 174.505 176.094 -0.589 0.000 1.026 578 V CA 0.224 62.241 62.300 -0.472 0.000 0.856 578 V CB 1.239 32.919 31.823 -0.238 0.000 1.001 578 V HN 0.906 nan 8.190 nan 0.000 0.424 579 S N 4.636 120.003 115.700 -0.556 0.000 2.615 579 S HA 0.591 5.061 4.470 -0.000 0.000 0.268 579 S C -0.529 174.011 174.600 -0.101 0.000 1.146 579 S CA -0.338 57.624 58.200 -0.397 0.000 0.818 579 S CB 1.521 64.501 63.200 -0.365 0.000 1.111 579 S HN 0.560 nan 8.310 nan 0.000 0.465 580 F N 1.527 121.515 119.950 0.063 0.000 2.754 580 F HA 0.369 4.896 4.527 -0.000 0.000 0.297 580 F C 1.202 177.058 175.800 0.094 0.000 1.122 580 F CA 0.219 58.300 58.000 0.135 0.000 1.400 580 F CB -0.121 38.976 39.000 0.161 0.000 1.117 580 F HN 0.558 nan 8.300 nan 0.000 0.587 581 H N 0.316 119.499 119.070 0.189 0.000 2.458 581 H HA 0.306 4.862 4.556 -0.000 0.000 0.330 581 H C -0.212 175.238 175.328 0.202 0.000 1.111 581 H CA -0.508 55.618 56.048 0.130 0.000 1.245 581 H CB 1.870 31.692 29.762 0.099 0.000 1.456 581 H HN -0.127 nan 8.280 nan 0.000 0.488 582 V N 7.763 127.956 119.914 0.464 0.000 2.872 582 V HA 0.122 4.242 4.120 -0.000 0.000 0.307 582 V C -1.770 174.561 176.094 0.397 0.000 1.072 582 V CA -1.039 61.492 62.300 0.386 0.000 1.148 582 V CB 0.894 32.850 31.823 0.222 0.000 0.954 582 V HN 0.786 nan 8.190 nan 0.000 0.490 583 P HA 0.000 nan 4.420 nan 0.000 0.216 583 P CA 0.000 63.039 63.100 -0.101 0.000 0.800 583 P CB 0.000 31.363 31.700 -0.561 0.000 0.726