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 1pgg_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 0.000 176.135 176.094 0.069 0.000 1.182 33 V CA 0.000 62.335 62.300 0.058 0.000 1.235 33 V CB 0.000 31.866 31.823 0.072 0.000 1.184 34 N N 5.729 124.437 118.700 0.013 0.000 2.417 34 N HA 0.177 4.917 4.740 -0.000 0.000 0.272 34 N C -0.894 174.625 175.510 0.015 0.000 1.304 34 N CA -0.685 52.369 53.050 0.007 0.000 0.906 34 N CB 1.369 39.836 38.487 -0.034 0.000 1.135 34 N HN 0.716 nan 8.380 nan 0.000 0.483 35 P HA -0.126 nan 4.420 nan 0.000 0.218 35 P C 0.950 178.203 177.300 -0.078 0.000 1.146 35 P CA 0.983 64.134 63.100 0.085 0.000 0.813 35 P CB 0.075 31.821 31.700 0.077 0.000 0.778 36 c N -0.974 117.565 118.600 -0.102 0.000 2.472 36 c HA -0.018 4.552 4.570 -0.000 0.000 0.278 36 c C 2.950 176.919 174.090 -0.201 0.000 1.447 36 c CA 0.269 56.522 56.329 -0.126 0.000 1.773 36 c CB -2.155 40.333 42.510 -0.037 0.000 1.793 36 c HN 0.352 nan 8.230 nan 0.000 0.544 37 c N -0.594 117.819 118.600 -0.312 0.000 2.432 37 c HA -0.105 4.465 4.570 -0.000 0.000 0.282 37 c C 2.048 175.567 174.090 -0.952 0.000 1.388 37 c CA 0.618 56.587 56.329 -0.600 0.000 1.777 37 c CB -1.685 40.484 42.510 -0.568 0.000 1.882 37 c HN 0.679 nan 8.230 nan 0.000 0.520 38 Y N -1.375 118.663 120.300 -0.438 0.000 2.578 38 Y HA 0.067 4.617 4.550 0.000 0.000 0.297 38 Y C 0.654 176.366 175.900 -0.313 0.000 1.176 38 Y CA 0.177 58.049 58.100 -0.380 0.000 1.315 38 Y CB -0.880 37.435 38.460 -0.242 0.000 1.031 38 Y HN 0.261 nan 8.280 nan 0.000 0.524 39 Y N -1.456 118.801 120.300 -0.071 0.000 3.037 39 Y HA -0.239 4.311 4.550 -0.000 0.000 0.204 39 Y C -1.208 174.643 175.900 -0.082 0.000 1.275 39 Y CA -0.404 57.641 58.100 -0.093 0.000 1.066 39 Y CB -2.136 36.268 38.460 -0.093 0.000 1.305 39 Y HN 0.240 nan 8.280 nan 0.000 0.499 40 P HA -0.154 nan 4.420 nan 0.000 0.215 40 P C 0.506 177.823 177.300 0.028 0.000 1.157 40 P CA 1.548 64.615 63.100 -0.055 0.000 0.868 40 P CB 0.015 31.513 31.700 -0.337 0.000 0.788 41 c N 3.189 121.817 118.600 0.047 0.000 2.624 41 c HA 0.248 4.818 4.570 -0.000 0.000 0.397 41 c C 1.060 175.136 174.090 -0.024 0.000 1.331 41 c CA -0.784 55.581 56.329 0.060 0.000 1.716 41 c CB -1.165 41.401 42.510 0.093 0.000 2.452 41 c HN 0.293 nan 8.230 nan 0.000 0.586 42 Q N 0.718 120.480 119.800 -0.064 0.000 2.316 42 Q HA 0.169 4.509 4.340 -0.000 0.000 0.215 42 Q C 0.539 176.406 176.000 -0.220 0.000 1.020 42 Q CA -0.240 55.407 55.803 -0.261 0.000 0.970 42 Q CB 0.132 28.636 28.738 -0.389 0.000 1.187 42 Q HN 0.925 nan 8.270 nan 0.000 0.546 43 H N 0.403 119.324 119.070 -0.248 0.000 2.594 43 H HA -0.236 4.320 4.556 -0.000 0.000 0.316 43 H C -0.158 175.105 175.328 -0.107 0.000 1.107 43 H CA 0.895 56.803 56.048 -0.234 0.000 1.133 43 H CB -1.774 27.706 29.762 -0.471 0.000 1.459 43 H HN 0.639 nan 8.280 nan 0.000 0.411 44 Q N -3.759 116.012 119.800 -0.050 0.000 2.385 44 Q HA -0.160 4.180 4.340 -0.000 0.000 0.215 44 Q C 1.090 177.103 176.000 0.021 0.000 0.671 44 Q CA 0.817 56.602 55.803 -0.031 0.000 1.335 44 Q CB -1.514 27.208 28.738 -0.027 0.000 1.425 44 Q HN 0.801 nan 8.270 nan 0.000 0.781 45 G N 0.574 109.397 108.800 0.039 0.000 2.554 45 G HA2 0.416 4.376 3.960 -0.000 0.000 0.238 45 G HA3 0.416 4.376 3.960 -0.000 0.000 0.238 45 G C -0.160 174.784 174.900 0.073 0.000 1.259 45 G CA -0.352 44.792 45.100 0.073 0.000 0.843 45 G HN 0.100 nan 8.290 nan 0.000 0.582 46 I N 0.478 121.109 120.570 0.101 0.000 2.336 46 I HA 0.173 4.343 4.170 -0.000 0.000 0.292 46 I C 0.422 176.620 176.117 0.136 0.000 0.991 46 I CA -0.411 60.956 61.300 0.112 0.000 1.227 46 I CB 1.673 39.755 38.000 0.136 0.000 1.366 46 I HN 0.387 nan 8.210 nan 0.000 0.466 47 c N 8.163 126.833 118.600 0.116 0.000 2.459 47 c HA 0.425 4.995 4.570 -0.000 0.000 0.358 47 c C 0.316 174.501 174.090 0.159 0.000 1.162 47 c CA -0.408 56.017 56.329 0.161 0.000 1.559 47 c CB -1.609 40.953 42.510 0.087 0.000 2.132 47 c HN 0.523 nan 8.230 nan 0.000 0.536 48 V N 7.304 127.352 119.914 0.224 0.000 2.481 48 V HA 0.434 4.553 4.120 -0.000 0.000 0.286 48 V C 0.403 176.611 176.094 0.190 0.000 1.042 48 V CA -0.591 61.796 62.300 0.145 0.000 0.928 48 V CB 1.397 33.321 31.823 0.168 0.000 0.986 48 V HN 0.778 nan 8.190 nan 0.000 0.462 49 R N 2.530 123.031 120.500 0.001 0.000 2.531 49 R HA 0.626 4.966 4.340 -0.000 0.000 0.273 49 R C -1.445 174.726 176.300 -0.214 0.000 1.070 49 R CA 0.032 56.156 56.100 0.040 0.000 1.112 49 R CB 0.679 30.971 30.300 -0.013 0.000 1.049 49 R HN 0.561 nan 8.270 nan 0.000 0.508 50 F N 1.335 121.319 119.950 0.057 0.000 2.608 50 F HA 0.451 4.978 4.527 0.000 0.000 0.309 50 F C 0.766 176.580 175.800 0.024 0.000 1.103 50 F CA 0.257 58.272 58.000 0.024 0.000 0.954 50 F CB 2.250 41.253 39.000 0.005 0.000 1.267 50 F HN 0.811 nan 8.300 nan 0.000 0.444 51 G N 2.036 110.948 108.800 0.186 0.000 2.598 51 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.269 51 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.269 51 G C 0.491 175.438 174.900 0.077 0.000 1.289 51 G CA 0.277 45.444 45.100 0.112 0.000 0.926 51 G HN 0.732 nan 8.290 nan 0.000 0.567 52 L N 0.866 122.128 121.223 0.065 0.000 2.249 52 L HA 0.221 4.561 4.340 -0.000 0.000 0.207 52 L C 2.241 179.152 176.870 0.068 0.000 1.090 52 L CA 1.627 56.499 54.840 0.053 0.000 0.802 52 L CB -0.136 41.947 42.059 0.041 0.000 0.947 52 L HN 0.783 nan 8.230 nan 0.000 0.453 53 D N -1.629 118.820 120.400 0.082 0.000 2.500 53 D HA 0.041 4.681 4.640 -0.000 0.000 0.218 53 D C 0.863 177.245 176.300 0.136 0.000 1.140 53 D CA -0.230 53.827 54.000 0.096 0.000 0.830 53 D CB 0.498 41.341 40.800 0.070 0.000 1.055 53 D HN 0.140 nan 8.370 nan 0.000 0.512 54 R N -0.107 120.482 120.500 0.148 0.000 2.541 54 R HA 0.568 4.908 4.340 -0.000 0.000 0.254 54 R C -0.703 175.776 176.300 0.298 0.000 1.130 54 R CA -0.676 55.523 56.100 0.164 0.000 1.152 54 R CB 0.750 31.108 30.300 0.096 0.000 1.222 54 R HN 0.144 nan 8.270 nan 0.000 0.579 55 Y N -2.449 117.949 120.300 0.163 0.000 2.641 55 Y HA 0.372 4.922 4.550 -0.000 0.000 0.333 55 Y C -1.932 174.077 175.900 0.182 0.000 1.174 55 Y CA -1.111 57.119 58.100 0.216 0.000 1.057 55 Y CB 1.512 40.053 38.460 0.135 0.000 1.322 55 Y HN 0.436 nan 8.280 nan 0.000 0.457 56 Q N 1.980 121.924 119.800 0.240 0.000 2.315 56 Q HA 0.601 4.941 4.340 -0.000 0.000 0.273 56 Q C -1.708 174.440 176.000 0.247 0.000 1.053 56 Q CA -0.923 54.904 55.803 0.040 0.000 0.817 56 Q CB 2.926 31.640 28.738 -0.040 0.000 1.326 56 Q HN 0.894 nan 8.270 nan 0.000 0.423 57 c N 1.610 120.316 118.600 0.177 0.000 2.307 57 c HA 0.279 4.849 4.570 -0.000 0.000 0.340 57 c C 0.056 174.226 174.090 0.134 0.000 1.275 57 c CA -0.485 55.963 56.329 0.198 0.000 1.811 57 c CB 0.260 42.886 42.510 0.194 0.000 2.372 57 c HN 0.652 nan 8.230 nan 0.000 0.531 58 D N 2.064 122.545 120.400 0.135 0.000 2.411 58 D HA 0.224 4.864 4.640 -0.000 0.000 0.225 58 D C 0.210 176.569 176.300 0.098 0.000 1.156 58 D CA -0.345 53.720 54.000 0.108 0.000 0.874 58 D CB 0.526 41.394 40.800 0.113 0.000 1.034 58 D HN 0.641 nan 8.370 nan 0.000 0.502 59 c N 3.275 121.930 118.600 0.092 0.000 2.480 59 c HA 0.191 4.761 4.570 -0.000 0.000 0.317 59 c C 0.826 174.970 174.090 0.089 0.000 1.300 59 c CA -0.500 55.891 56.329 0.103 0.000 1.706 59 c CB -1.793 40.790 42.510 0.121 0.000 1.840 59 c HN 0.506 nan 8.230 nan 0.000 0.596 60 T N 1.891 116.488 114.554 0.071 0.000 2.831 60 T HA 0.065 4.415 4.350 -0.000 0.000 0.291 60 T C 0.893 175.625 174.700 0.053 0.000 0.981 60 T CA 0.580 62.713 62.100 0.055 0.000 1.174 60 T CB -0.044 68.850 68.868 0.044 0.000 0.929 60 T HN 0.628 nan 8.240 nan 0.000 0.532 61 R N 0.680 121.209 120.500 0.048 0.000 3.525 61 R HA -0.198 4.142 4.340 -0.000 0.000 0.276 61 R C 1.391 177.729 176.300 0.063 0.000 1.116 61 R CA 1.027 57.153 56.100 0.043 0.000 0.745 61 R CB -2.222 28.093 30.300 0.025 0.000 1.185 61 R HN 0.916 nan 8.270 nan 0.000 0.454 62 T N -5.249 109.366 114.554 0.101 0.000 3.037 62 T HA 0.297 4.647 4.350 -0.000 0.000 0.251 62 T C 1.454 176.283 174.700 0.214 0.000 1.079 62 T CA 0.685 62.884 62.100 0.164 0.000 1.067 62 T CB 1.060 70.058 68.868 0.216 0.000 0.948 62 T HN 0.686 nan 8.240 nan 0.000 0.496 63 G N 0.360 109.219 108.800 0.097 0.000 2.175 63 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.244 63 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.244 63 G C -0.250 174.423 174.900 -0.378 0.000 0.982 63 G CA 0.083 45.129 45.100 -0.090 0.000 0.641 63 G HN 0.617 nan 8.290 nan 0.000 0.527 64 Y N 0.437 120.716 120.300 -0.034 0.000 2.581 64 Y HA 0.704 5.254 4.550 -0.000 0.000 0.345 64 Y C 0.556 176.460 175.900 0.007 0.000 1.036 64 Y CA -0.397 57.681 58.100 -0.037 0.000 1.042 64 Y CB 2.144 40.561 38.460 -0.072 0.000 1.289 64 Y HN 0.424 nan 8.280 nan 0.000 0.471 65 S N -0.320 115.477 115.700 0.161 0.000 2.745 65 S HA 0.971 5.441 4.470 -0.000 0.000 0.306 65 S C -0.154 174.511 174.600 0.110 0.000 1.137 65 S CA -0.581 57.679 58.200 0.101 0.000 0.900 65 S CB 1.745 64.972 63.200 0.044 0.000 1.176 65 S HN 1.700 nan 8.310 nan 0.000 0.520 66 G N 0.438 109.280 108.800 0.069 0.000 2.619 66 G HA2 0.062 4.022 3.960 -0.000 0.000 0.686 66 G HA3 0.062 4.022 3.960 -0.000 0.000 0.686 66 G C -2.657 172.278 174.900 0.058 0.000 1.256 66 G CA -0.462 44.674 45.100 0.060 0.000 0.826 66 G HN 0.558 nan 8.290 nan 0.000 0.619 67 P HA -0.021 nan 4.420 nan 0.000 0.219 67 P C 1.075 178.434 177.300 0.099 0.000 1.146 67 P CA 1.471 64.588 63.100 0.028 0.000 0.808 67 P CB 0.107 31.811 31.700 0.007 0.000 0.779 68 N N -2.782 115.988 118.700 0.117 0.000 2.238 68 N HA 0.087 4.827 4.740 -0.000 0.000 0.235 68 N C -0.624 174.956 175.510 0.118 0.000 1.209 68 N CA -0.063 53.070 53.050 0.138 0.000 0.879 68 N CB -0.200 38.360 38.487 0.121 0.000 1.136 68 N HN -0.028 nan 8.380 nan 0.000 0.517 69 c N 0.817 119.498 118.600 0.135 0.000 4.067 69 c HA -0.106 4.464 4.570 -0.000 0.000 0.305 69 c C 1.575 175.781 174.090 0.195 0.000 1.305 69 c CA 0.940 57.375 56.329 0.178 0.000 2.111 69 c CB -3.070 39.533 42.510 0.155 0.000 1.339 69 c HN 0.559 nan 8.230 nan 0.000 0.668 70 T N -3.759 110.921 114.554 0.210 0.000 2.958 70 T HA 0.353 4.703 4.350 -0.000 0.000 0.256 70 T C 0.320 175.232 174.700 0.353 0.000 0.983 70 T CA 0.029 62.269 62.100 0.234 0.000 0.924 70 T CB 0.387 69.350 68.868 0.157 0.000 1.136 70 T HN 0.632 nan 8.240 nan 0.000 0.506 71 I N 4.980 125.723 120.570 0.289 0.000 2.301 71 I HA 0.316 4.486 4.170 -0.000 0.000 0.292 71 I C -2.248 173.934 176.117 0.108 0.000 1.046 71 I CA -2.542 58.862 61.300 0.174 0.000 1.282 71 I CB 1.122 39.168 38.000 0.077 0.000 1.409 71 I HN 0.017 nan 8.210 nan 0.000 0.484 72 P HA 0.185 nan 4.420 nan 0.000 0.275 72 P C -0.722 176.429 177.300 -0.249 0.000 1.266 72 P CA -0.384 62.444 63.100 -0.453 0.000 0.793 72 P CB 0.997 32.517 31.700 -0.300 0.000 1.074 73 E N -0.226 119.813 120.200 -0.267 0.000 2.248 73 E HA 0.155 4.505 4.350 -0.000 0.000 0.272 73 E C 1.009 177.524 176.600 -0.142 0.000 1.008 73 E CA -0.817 55.493 56.400 -0.150 0.000 0.856 73 E CB 0.857 30.515 29.700 -0.070 0.000 1.120 73 E HN 0.233 nan 8.360 nan 0.000 0.397 74 I N 1.218 121.634 120.570 -0.255 0.000 2.185 74 I HA -0.265 3.905 4.170 -0.000 0.000 0.246 74 I C 1.248 177.164 176.117 -0.334 0.000 1.088 74 I CA 1.667 62.742 61.300 -0.376 0.000 1.347 74 I CB -0.187 37.415 38.000 -0.663 0.000 1.041 74 I HN 0.634 nan 8.210 nan 0.000 0.415 75 W N -0.251 121.075 121.300 0.045 0.000 2.407 75 W HA -0.137 4.523 4.660 0.000 0.000 0.305 75 W C 2.662 179.182 176.519 0.001 0.000 1.196 75 W CA 1.368 58.730 57.345 0.028 0.000 1.311 75 W CB -1.342 28.117 29.460 -0.002 0.000 1.135 75 W HN -0.094 nan 8.180 nan 0.000 0.514 76 T N -0.143 114.481 114.554 0.116 0.000 2.699 76 T HA -0.306 4.044 4.350 -0.000 0.000 0.268 76 T C 1.179 175.866 174.700 -0.022 0.000 1.036 76 T CA 1.848 63.932 62.100 -0.026 0.000 1.147 76 T CB -0.753 67.956 68.868 -0.266 0.000 0.862 76 T HN 0.306 nan 8.240 nan 0.000 0.446 77 W N 1.700 122.911 121.300 -0.149 0.000 2.333 77 W HA -0.086 4.574 4.660 0.000 0.000 0.316 77 W C 1.845 178.334 176.519 -0.051 0.000 1.215 77 W CA 0.993 58.273 57.345 -0.110 0.000 1.278 77 W CB -0.736 28.637 29.460 -0.144 0.000 1.154 77 W HN 0.175 nan 8.180 nan 0.000 0.486 78 L N 0.145 121.306 121.223 -0.104 0.000 1.970 78 L HA -0.268 4.072 4.340 -0.000 0.000 0.212 78 L C 2.794 179.538 176.870 -0.211 0.000 1.071 78 L CA 2.072 56.770 54.840 -0.237 0.000 0.751 78 L CB -1.306 40.783 42.059 0.050 0.000 0.889 78 L HN -0.030 nan 8.230 nan 0.000 0.432 79 R N -0.136 120.335 120.500 -0.049 0.000 2.140 79 R HA -0.254 4.086 4.340 -0.000 0.000 0.250 79 R C 2.316 178.569 176.300 -0.078 0.000 1.150 79 R CA 2.531 58.616 56.100 -0.024 0.000 0.966 79 R CB -0.340 29.979 30.300 0.032 0.000 0.869 79 R HN 0.632 nan 8.270 nan 0.000 0.445 80 T N -3.258 111.215 114.554 -0.134 0.000 2.939 80 T HA -0.050 4.300 4.350 -0.000 0.000 0.254 80 T C 1.926 176.496 174.700 -0.217 0.000 1.041 80 T CA 1.118 63.144 62.100 -0.123 0.000 1.142 80 T CB -0.497 68.340 68.868 -0.051 0.000 0.874 80 T HN 0.416 nan 8.240 nan 0.000 0.452 81 T N 0.672 114.963 114.554 -0.438 0.000 2.977 81 T HA 0.046 4.396 4.350 -0.000 0.000 0.271 81 T C 1.364 175.878 174.700 -0.311 0.000 1.105 81 T CA 0.633 62.445 62.100 -0.480 0.000 1.116 81 T CB -0.489 67.817 68.868 -0.936 0.000 0.878 81 T HN 0.243 nan 8.240 nan 0.000 0.509 82 L N -0.069 121.006 121.223 -0.247 0.000 2.693 82 L HA 0.398 4.738 4.340 -0.000 0.000 0.235 82 L C 1.018 177.829 176.870 -0.098 0.000 1.127 82 L CA -0.007 54.740 54.840 -0.156 0.000 0.914 82 L CB -0.180 41.806 42.059 -0.122 0.000 1.193 82 L HN 0.090 nan 8.230 nan 0.000 0.502 83 R N 2.342 122.793 120.500 -0.082 0.000 2.242 83 R HA 0.235 4.575 4.340 -0.000 0.000 0.334 83 R C -1.936 174.349 176.300 -0.024 0.000 1.071 83 R CA -1.435 54.647 56.100 -0.029 0.000 0.922 83 R CB 0.231 30.527 30.300 -0.006 0.000 1.023 83 R HN 0.043 nan 8.270 nan 0.000 0.458 84 P HA -0.020 nan 4.420 nan 0.000 0.271 84 P C -0.214 177.149 177.300 0.105 0.000 1.218 84 P CA -0.271 62.823 63.100 -0.011 0.000 0.780 84 P CB 0.945 32.670 31.700 0.041 0.000 0.901 85 S N 2.626 118.391 115.700 0.109 0.000 2.559 85 S HA 0.046 4.516 4.470 -0.000 0.000 0.282 85 S C -1.647 173.063 174.600 0.183 0.000 1.336 85 S CA -0.610 57.670 58.200 0.134 0.000 1.037 85 S CB -0.372 62.904 63.200 0.126 0.000 0.853 85 S HN 0.302 nan 8.310 nan 0.000 0.523 86 P HA 0.039 nan 4.420 nan 0.000 0.226 86 P C 1.024 178.392 177.300 0.113 0.000 1.153 86 P CA 0.740 63.918 63.100 0.130 0.000 0.777 86 P CB -0.035 31.741 31.700 0.126 0.000 0.794 87 S N -0.939 114.839 115.700 0.130 0.000 2.371 87 S HA -0.063 4.407 4.470 -0.000 0.000 0.221 87 S C 1.569 176.248 174.600 0.131 0.000 1.036 87 S CA 0.435 58.697 58.200 0.104 0.000 0.965 87 S CB -1.253 62.038 63.200 0.151 0.000 0.845 87 S HN 0.112 nan 8.310 nan 0.000 0.475 88 F N 3.308 123.282 119.950 0.040 0.000 2.134 88 F HA -0.088 4.439 4.527 0.000 0.000 0.299 88 F C 1.741 177.589 175.800 0.081 0.000 1.097 88 F CA 1.025 59.038 58.000 0.021 0.000 1.264 88 F CB -0.313 38.678 39.000 -0.015 0.000 1.001 88 F HN 0.045 nan 8.300 nan 0.000 0.479 89 I N -0.018 120.528 120.570 -0.039 0.000 2.233 89 I HA -0.256 3.914 4.170 -0.000 0.000 0.243 89 I C 2.382 178.348 176.117 -0.252 0.000 1.093 89 I CA 1.740 62.938 61.300 -0.170 0.000 1.380 89 I CB -2.081 35.919 38.000 0.001 0.000 1.067 89 I HN 0.248 nan 8.210 nan 0.000 0.413 90 H N 0.552 119.481 119.070 -0.236 0.000 2.541 90 H HA -0.228 4.328 4.556 -0.000 0.000 0.289 90 H C 1.981 177.086 175.328 -0.372 0.000 1.054 90 H CA 1.301 57.147 56.048 -0.337 0.000 1.250 90 H CB -0.142 29.406 29.762 -0.357 0.000 1.369 90 H HN 0.264 nan 8.280 nan 0.000 0.578 91 F N -0.363 119.341 119.950 -0.410 0.000 2.094 91 F HA -0.066 4.461 4.527 0.000 0.000 0.291 91 F C 1.631 177.142 175.800 -0.482 0.000 1.109 91 F CA 0.750 58.516 58.000 -0.390 0.000 1.221 91 F CB -0.437 38.435 39.000 -0.215 0.000 1.014 91 F HN 0.112 nan 8.300 nan 0.000 0.473 92 L N 0.817 121.963 121.223 -0.127 0.000 1.990 92 L HA -0.246 4.094 4.340 -0.000 0.000 0.213 92 L C 2.395 179.206 176.870 -0.099 0.000 1.072 92 L CA 1.746 56.541 54.840 -0.075 0.000 0.755 92 L CB -1.490 40.488 42.059 -0.135 0.000 0.889 92 L HN 0.212 nan 8.230 nan 0.000 0.432 93 L N -0.695 120.266 121.223 -0.436 0.000 2.447 93 L HA -0.177 4.163 4.340 -0.000 0.000 0.225 93 L C 1.699 177.945 176.870 -1.040 0.000 1.148 93 L CA 1.462 55.791 54.840 -0.851 0.000 0.808 93 L CB -0.649 40.441 42.059 -1.615 0.000 0.928 93 L HN 0.544 nan 8.230 nan 0.000 0.448 94 T N -5.207 108.735 114.554 -1.020 0.000 3.174 94 T HA 0.198 4.548 4.350 -0.000 0.000 0.269 94 T C 0.252 174.435 174.700 -0.861 0.000 1.017 94 T CA -0.441 60.918 62.100 -1.236 0.000 0.899 94 T CB -0.060 68.128 68.868 -1.134 0.000 1.077 94 T HN 0.044 nan 8.240 nan 0.000 0.552 95 H N -0.227 118.796 119.070 -0.079 0.000 2.928 95 H HA 0.602 5.158 4.556 -0.000 0.000 0.371 95 H C 0.940 176.511 175.328 0.405 0.000 1.186 95 H CA -0.705 55.474 56.048 0.219 0.000 1.134 95 H CB 1.390 30.956 29.762 -0.327 0.000 1.824 95 H HN 0.223 nan 8.280 nan 0.000 0.554 96 G N 1.615 110.559 108.800 0.240 0.000 2.212 96 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.255 96 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.255 96 G C 1.407 176.041 174.900 -0.443 0.000 1.062 96 G CA 0.766 45.698 45.100 -0.281 0.000 0.815 96 G HN 0.603 nan 8.290 nan 0.000 0.497 97 R N 0.213 120.426 120.500 -0.479 0.000 2.196 97 R HA -0.221 4.119 4.340 -0.000 0.000 0.259 97 R C 2.558 178.698 176.300 -0.267 0.000 1.154 97 R CA 3.393 59.026 56.100 -0.777 0.000 0.976 97 R CB -0.739 29.096 30.300 -0.776 0.000 0.888 97 R HN 0.981 nan 8.270 nan 0.000 0.453 98 W N -0.274 120.948 121.300 -0.130 0.000 2.355 98 W HA -0.168 4.492 4.660 -0.000 0.000 0.309 98 W C 1.652 178.151 176.519 -0.033 0.000 1.206 98 W CA 0.810 58.116 57.345 -0.065 0.000 1.284 98 W CB -1.262 28.159 29.460 -0.066 0.000 1.145 98 W HN 0.226 nan 8.180 nan 0.000 0.502 99 L N 0.159 120.761 121.223 -1.035 0.000 2.046 99 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 99 L C 2.494 179.090 176.870 -0.457 0.000 1.077 99 L CA 2.251 56.499 54.840 -0.986 0.000 0.747 99 L CB -0.800 40.261 42.059 -1.663 0.000 0.896 99 L HN -0.066 nan 8.230 nan 0.000 0.432 100 W N 0.159 121.292 121.300 -0.280 0.000 2.358 100 W HA -0.197 4.463 4.660 0.000 0.000 0.303 100 W C 2.371 178.867 176.519 -0.040 0.000 1.208 100 W CA 0.969 58.247 57.345 -0.112 0.000 1.274 100 W CB -0.302 29.126 29.460 -0.053 0.000 1.138 100 W HN 0.169 nan 8.180 nan 0.000 0.515 101 D N -0.285 120.223 120.400 0.180 0.000 2.149 101 D HA -0.250 4.390 4.640 -0.000 0.000 0.194 101 D C 1.719 178.118 176.300 0.164 0.000 1.001 101 D CA 1.637 55.728 54.000 0.152 0.000 0.849 101 D CB -0.860 40.018 40.800 0.129 0.000 0.939 101 D HN 0.113 nan 8.370 nan 0.000 0.449 102 F N 1.487 121.458 119.950 0.035 0.000 2.060 102 F HA -0.208 4.319 4.527 -0.000 0.000 0.295 102 F C 2.288 178.086 175.800 -0.004 0.000 1.120 102 F CA 1.074 59.086 58.000 0.021 0.000 1.205 102 F CB -0.624 38.386 39.000 0.017 0.000 0.986 102 F HN -0.210 nan 8.300 nan 0.000 0.470 103 V N 1.523 121.390 119.914 -0.079 0.000 2.231 103 V HA -0.428 3.692 4.120 -0.000 0.000 0.250 103 V C 2.254 178.259 176.094 -0.150 0.000 1.058 103 V CA 2.363 64.546 62.300 -0.195 0.000 1.022 103 V CB -1.119 30.680 31.823 -0.040 0.000 0.640 103 V HN 0.424 nan 8.190 nan 0.000 0.445 104 N N 0.343 119.063 118.700 0.034 0.000 2.247 104 N HA -0.183 4.557 4.740 -0.000 0.000 0.189 104 N C 1.536 177.013 175.510 -0.054 0.000 1.009 104 N CA 1.783 54.852 53.050 0.031 0.000 0.872 104 N CB -0.340 38.200 38.487 0.088 0.000 0.980 104 N HN 0.604 nan 8.380 nan 0.000 0.436 105 A N -0.172 122.567 122.820 -0.135 0.000 2.267 105 A HA 0.080 4.400 4.320 -0.000 0.000 0.213 105 A C 1.291 178.752 177.584 -0.205 0.000 1.192 105 A CA 0.417 52.373 52.037 -0.135 0.000 0.851 105 A CB -0.154 18.788 19.000 -0.097 0.000 0.881 105 A HN 0.384 nan 8.150 nan 0.000 0.494 106 T N -3.425 110.918 114.554 -0.353 0.000 2.852 106 T HA 0.395 4.745 4.350 -0.000 0.000 0.281 106 T C 0.968 175.543 174.700 -0.208 0.000 0.993 106 T CA 0.112 62.006 62.100 -0.343 0.000 0.933 106 T CB 0.236 68.733 68.868 -0.617 0.000 1.187 106 T HN 0.624 nan 8.240 nan 0.000 0.559 107 F N -0.341 119.551 119.950 -0.097 0.000 2.407 107 F HA 0.222 4.749 4.527 -0.000 0.000 0.299 107 F C 1.857 177.639 175.800 -0.030 0.000 1.097 107 F CA 0.174 58.146 58.000 -0.048 0.000 1.422 107 F CB -1.173 37.810 39.000 -0.029 0.000 1.067 107 F HN 0.401 nan 8.300 nan 0.000 0.539 108 I N 1.117 120.948 120.570 -1.231 0.000 2.381 108 I HA -0.329 3.841 4.170 -0.000 0.000 0.255 108 I C 2.771 178.745 176.117 -0.238 0.000 1.140 108 I CA 1.645 62.477 61.300 -0.779 0.000 1.404 108 I CB -0.713 36.850 38.000 -0.729 0.000 1.075 108 I HN 0.249 nan 8.210 nan 0.000 0.433 109 R N 1.149 121.559 120.500 -0.151 0.000 2.127 109 R HA -0.217 4.123 4.340 -0.000 0.000 0.238 109 R C 1.549 177.845 176.300 -0.006 0.000 1.134 109 R CA 2.115 58.197 56.100 -0.030 0.000 0.975 109 R CB -0.122 30.169 30.300 -0.016 0.000 0.865 109 R HN 0.329 nan 8.270 nan 0.000 0.447 110 D N -0.662 119.737 120.400 -0.002 0.000 2.110 110 D HA -0.060 4.580 4.640 -0.000 0.000 0.202 110 D C 1.835 178.155 176.300 0.034 0.000 0.975 110 D CA 1.926 55.939 54.000 0.023 0.000 0.839 110 D CB -0.505 40.326 40.800 0.052 0.000 0.996 110 D HN 0.226 nan 8.370 nan 0.000 0.464 111 T N 1.755 116.342 114.554 0.055 0.000 2.665 111 T HA -0.155 4.195 4.350 -0.000 0.000 0.268 111 T C 2.194 176.923 174.700 0.047 0.000 1.035 111 T CA 0.949 63.092 62.100 0.073 0.000 1.151 111 T CB -0.543 68.391 68.868 0.110 0.000 0.862 111 T HN 0.101 nan 8.240 nan 0.000 0.438 112 L N -0.019 121.225 121.223 0.035 0.000 1.943 112 L HA -0.113 4.227 4.340 -0.000 0.000 0.215 112 L C 2.734 179.633 176.870 0.048 0.000 1.074 112 L CA 1.632 56.507 54.840 0.058 0.000 0.759 112 L CB -0.818 41.295 42.059 0.090 0.000 0.888 112 L HN 0.215 nan 8.230 nan 0.000 0.433 113 M N 0.610 120.233 119.600 0.038 0.000 2.124 113 M HA -0.304 4.176 4.480 -0.000 0.000 0.253 113 M C 2.408 178.717 176.300 0.014 0.000 1.077 113 M CA 2.194 57.511 55.300 0.027 0.000 1.085 113 M CB -0.563 32.048 32.600 0.018 0.000 1.320 113 M HN 0.173 nan 8.290 nan 0.000 0.404 114 R N -0.393 120.111 120.500 0.006 0.000 2.094 114 R HA -0.200 4.140 4.340 -0.000 0.000 0.239 114 R C 2.252 178.555 176.300 0.005 0.000 1.137 114 R CA 2.320 58.414 56.100 -0.010 0.000 0.943 114 R CB -0.986 29.314 30.300 0.000 0.000 0.850 114 R HN 0.530 nan 8.270 nan 0.000 0.433 115 L N 0.538 121.777 121.223 0.027 0.000 2.043 115 L HA -0.214 4.126 4.340 -0.000 0.000 0.212 115 L C 2.505 179.399 176.870 0.040 0.000 1.075 115 L CA 1.434 56.297 54.840 0.038 0.000 0.752 115 L CB -0.279 41.811 42.059 0.051 0.000 0.891 115 L HN 0.189 nan 8.230 nan 0.000 0.432 116 V N -0.677 119.264 119.914 0.045 0.000 2.261 116 V HA -0.320 3.800 4.120 -0.000 0.000 0.246 116 V C 2.356 178.473 176.094 0.039 0.000 1.047 116 V CA 1.621 63.953 62.300 0.055 0.000 1.015 116 V CB -0.299 31.564 31.823 0.067 0.000 0.642 116 V HN 0.270 nan 8.190 nan 0.000 0.446 117 L N 0.422 121.651 121.223 0.011 0.000 1.956 117 L HA -0.201 4.139 4.340 -0.000 0.000 0.216 117 L C 2.919 179.788 176.870 -0.002 0.000 1.073 117 L CA 2.987 57.814 54.840 -0.022 0.000 0.762 117 L CB -1.761 40.244 42.059 -0.091 0.000 0.889 117 L HN 0.685 nan 8.230 nan 0.000 0.433 118 T N -3.277 111.275 114.554 -0.003 0.000 2.580 118 T HA -0.217 4.133 4.350 -0.000 0.000 0.265 118 T C 1.922 176.656 174.700 0.056 0.000 1.063 118 T CA 2.044 64.166 62.100 0.036 0.000 1.170 118 T CB -1.194 67.692 68.868 0.031 0.000 0.863 118 T HN 0.072 nan 8.240 nan 0.000 0.418 119 V N 1.988 121.930 119.914 0.046 0.000 2.255 119 V HA -0.183 3.937 4.120 -0.000 0.000 0.247 119 V C 3.061 179.185 176.094 0.050 0.000 1.051 119 V CA 2.328 64.656 62.300 0.047 0.000 1.018 119 V CB -0.893 30.961 31.823 0.052 0.000 0.641 119 V HN 0.369 nan 8.190 nan 0.000 0.445 120 R N 0.423 120.958 120.500 0.058 0.000 2.094 120 R HA -0.166 4.174 4.340 -0.000 0.000 0.239 120 R C 2.595 178.922 176.300 0.045 0.000 1.137 120 R CA 2.123 58.261 56.100 0.063 0.000 0.943 120 R CB -0.847 29.493 30.300 0.067 0.000 0.850 120 R HN 0.513 nan 8.270 nan 0.000 0.433 121 S N 0.611 116.348 115.700 0.062 0.000 2.383 121 S HA -0.112 4.358 4.470 -0.000 0.000 0.229 121 S C 1.444 176.040 174.600 -0.007 0.000 1.030 121 S CA 1.406 59.643 58.200 0.063 0.000 1.002 121 S CB -0.430 62.908 63.200 0.229 0.000 0.829 121 S HN 0.408 nan 8.310 nan 0.000 0.467 122 N N 1.838 120.540 118.700 0.004 0.000 2.247 122 N HA -0.069 4.671 4.740 -0.000 0.000 0.189 122 N C 1.331 176.787 175.510 -0.090 0.000 1.009 122 N CA 0.650 53.678 53.050 -0.036 0.000 0.872 122 N CB -0.540 37.940 38.487 -0.011 0.000 0.980 122 N HN 0.267 nan 8.380 nan 0.000 0.436 123 L N 0.189 121.356 121.223 -0.094 0.000 2.353 123 L HA -0.022 4.318 4.340 -0.000 0.000 0.220 123 L C 0.242 176.936 176.870 -0.293 0.000 1.133 123 L CA 0.888 55.618 54.840 -0.183 0.000 0.798 123 L CB -0.463 41.551 42.059 -0.075 0.000 0.922 123 L HN 0.089 nan 8.230 nan 0.000 0.445 124 I N 1.735 122.159 120.570 -0.243 0.000 2.362 124 I HA 0.287 4.457 4.170 -0.000 0.000 0.289 124 I C -1.938 174.053 176.117 -0.211 0.000 0.994 124 I CA -2.636 58.492 61.300 -0.287 0.000 1.158 124 I CB 1.249 39.063 38.000 -0.310 0.000 1.315 124 I HN -0.100 nan 8.210 nan 0.000 0.451 125 P HA 0.281 nan 4.420 nan 0.000 0.275 125 P C -0.584 176.622 177.300 -0.157 0.000 1.227 125 P CA -0.197 62.804 63.100 -0.164 0.000 0.781 125 P CB 1.502 33.106 31.700 -0.160 0.000 0.906 126 S N 2.210 117.816 115.700 -0.158 0.000 2.562 126 S HA 0.412 4.882 4.470 -0.000 0.000 0.274 126 S C -2.563 171.960 174.600 -0.128 0.000 1.160 126 S CA -0.804 57.306 58.200 -0.150 0.000 0.933 126 S CB 1.096 64.170 63.200 -0.210 0.000 1.100 126 S HN 0.440 nan 8.310 nan 0.000 0.468 127 P HA 0.291 nan 4.420 nan 0.000 0.271 127 P C -2.699 174.561 177.300 -0.067 0.000 1.233 127 P CA -1.026 62.055 63.100 -0.031 0.000 0.789 127 P CB -0.675 31.066 31.700 0.068 0.000 0.951 128 P HA -0.067 nan 4.420 nan 0.000 0.269 128 P C 0.504 177.713 177.300 -0.152 0.000 1.211 128 P CA 0.284 63.324 63.100 -0.101 0.000 0.781 128 P CB 0.429 32.072 31.700 -0.096 0.000 0.877 129 T N -1.093 113.305 114.554 -0.259 0.000 3.571 129 T HA 0.166 4.516 4.350 -0.000 0.000 0.217 129 T C 0.499 174.896 174.700 -0.506 0.000 0.925 129 T CA 0.251 62.048 62.100 -0.505 0.000 1.376 129 T CB -0.663 67.676 68.868 -0.883 0.000 1.375 129 T HN 0.271 nan 8.240 nan 0.000 0.404 130 Y N 3.404 123.677 120.300 -0.046 0.000 2.392 130 Y HA 0.699 5.249 4.550 -0.000 0.000 0.323 130 Y C 0.625 176.452 175.900 -0.122 0.000 1.291 130 Y CA -1.322 56.722 58.100 -0.094 0.000 1.345 130 Y CB 0.443 38.855 38.460 -0.081 0.000 1.320 130 Y HN 0.677 nan 8.280 nan 0.000 0.518 131 N N -0.930 117.752 118.700 -0.029 0.000 2.972 131 N HA 0.169 4.909 4.740 -0.000 0.000 0.262 131 N C -0.033 175.391 175.510 -0.144 0.000 1.478 131 N CA -0.711 52.253 53.050 -0.144 0.000 0.841 131 N CB 0.349 38.587 38.487 -0.415 0.000 1.512 131 N HN 0.542 nan 8.380 nan 0.000 0.548 132 I N 0.031 120.542 120.570 -0.099 0.000 2.315 132 I HA -0.125 4.045 4.170 -0.000 0.000 0.251 132 I C 1.787 177.859 176.117 -0.075 0.000 1.125 132 I CA 2.088 63.347 61.300 -0.069 0.000 1.392 132 I CB -0.787 37.160 38.000 -0.088 0.000 1.065 132 I HN 0.741 nan 8.210 nan 0.000 0.424 133 A N -1.828 120.884 122.820 -0.179 0.000 2.095 133 A HA 0.070 4.390 4.320 -0.000 0.000 0.212 133 A C 0.290 177.784 177.584 -0.150 0.000 1.162 133 A CA 0.517 52.447 52.037 -0.179 0.000 0.753 133 A CB -0.335 18.512 19.000 -0.254 0.000 0.840 133 A HN 0.493 nan 8.150 nan 0.000 0.468 134 H N 0.222 119.082 119.070 -0.349 0.000 2.823 134 H HA 0.324 4.880 4.556 -0.000 0.000 0.332 134 H C -1.409 173.613 175.328 -0.510 0.000 0.980 134 H CA -1.469 54.173 56.048 -0.677 0.000 1.286 134 H CB 1.045 30.314 29.762 -0.823 0.000 1.541 134 H HN 0.144 nan 8.280 nan 0.000 0.521 135 D N 3.926 124.092 120.400 -0.389 0.000 2.889 135 D HA 0.090 4.730 4.640 -0.000 0.000 0.243 135 D C -0.259 175.950 176.300 -0.151 0.000 1.270 135 D CA 0.218 54.030 54.000 -0.314 0.000 0.838 135 D CB -0.030 40.630 40.800 -0.233 0.000 1.040 135 D HN 0.474 nan 8.370 nan 0.000 0.480 136 Y N -2.843 117.630 120.300 0.289 0.000 2.624 136 Y HA 0.450 5.000 4.550 -0.000 0.000 0.334 136 Y C -0.567 175.531 175.900 0.330 0.000 1.155 136 Y CA -1.534 56.767 58.100 0.335 0.000 1.046 136 Y CB 0.164 38.679 38.460 0.090 0.000 1.316 136 Y HN -0.319 nan 8.280 nan 0.000 0.457 137 I N 2.827 123.619 120.570 0.370 0.000 2.754 137 I HA 0.436 4.606 4.170 -0.000 0.000 0.285 137 I C 0.289 176.546 176.117 0.234 0.000 1.166 137 I CA 1.029 62.416 61.300 0.144 0.000 1.417 137 I CB 1.010 39.045 38.000 0.059 0.000 1.382 137 I HN 0.789 nan 8.210 nan 0.000 0.588 138 S N 5.247 121.047 115.700 0.167 0.000 2.558 138 S HA 0.109 4.579 4.470 -0.000 0.000 0.277 138 S C 0.108 174.832 174.600 0.207 0.000 1.143 138 S CA -0.973 57.364 58.200 0.230 0.000 0.865 138 S CB 0.291 63.657 63.200 0.278 0.000 1.102 138 S HN 0.817 nan 8.310 nan 0.000 0.454 139 W N 2.222 123.610 121.300 0.146 0.000 2.338 139 W HA -0.151 4.509 4.660 -0.000 0.000 0.304 139 W C 1.603 178.258 176.519 0.226 0.000 1.212 139 W CA 2.557 60.010 57.345 0.180 0.000 1.264 139 W CB -0.260 29.277 29.460 0.129 0.000 1.142 139 W HN 1.075 nan 8.180 nan 0.000 0.512 140 E N 0.232 120.583 120.200 0.253 0.000 2.110 140 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 140 E C 2.259 178.854 176.600 -0.008 0.000 0.988 140 E CA 2.095 58.597 56.400 0.171 0.000 0.804 140 E CB -0.647 29.224 29.700 0.285 0.000 0.745 140 E HN 0.005 nan 8.360 nan 0.000 0.458 141 S N -1.122 114.572 115.700 -0.009 0.000 2.355 141 S HA -0.129 4.341 4.470 -0.000 0.000 0.222 141 S C 1.642 176.137 174.600 -0.175 0.000 1.031 141 S CA 1.080 59.180 58.200 -0.166 0.000 0.993 141 S CB -0.602 62.541 63.200 -0.095 0.000 0.859 141 S HN 0.520 nan 8.310 nan 0.000 0.453 142 F N 2.377 122.133 119.950 -0.322 0.000 2.269 142 F HA -0.040 4.487 4.527 0.000 0.000 0.301 142 F C 2.239 177.760 175.800 -0.465 0.000 1.082 142 F CA 1.821 59.560 58.000 -0.435 0.000 1.360 142 F CB -0.311 38.311 39.000 -0.630 0.000 1.041 142 F HN 0.378 nan 8.300 nan 0.000 0.512 143 S N -1.439 113.899 115.700 -0.604 0.000 2.514 143 S HA 0.095 4.565 4.470 -0.000 0.000 0.223 143 S C 0.815 175.269 174.600 -0.244 0.000 1.046 143 S CA -0.244 57.632 58.200 -0.540 0.000 0.914 143 S CB -0.623 62.389 63.200 -0.314 0.000 0.807 143 S HN 0.312 nan 8.310 nan 0.000 0.497 144 N N 2.381 121.028 118.700 -0.089 0.000 2.448 144 N HA 0.170 4.910 4.740 -0.000 0.000 0.250 144 N C 0.409 175.972 175.510 0.088 0.000 1.136 144 N CA 0.059 53.158 53.050 0.081 0.000 0.953 144 N CB 1.038 39.710 38.487 0.309 0.000 1.251 144 N HN 0.122 nan 8.380 nan 0.000 0.502 145 V N 2.650 122.555 119.914 -0.013 0.000 3.510 145 V HA -0.067 4.053 4.120 -0.000 0.000 0.270 145 V C 1.683 177.867 176.094 0.150 0.000 1.201 145 V CA 0.952 63.236 62.300 -0.026 0.000 1.166 145 V CB -0.417 31.332 31.823 -0.123 0.000 0.825 145 V HN 0.584 nan 8.190 nan 0.000 0.484 146 S N -1.157 114.612 115.700 0.114 0.000 2.489 146 S HA 0.088 4.558 4.470 -0.000 0.000 0.228 146 S C 0.436 175.094 174.600 0.096 0.000 0.995 146 S CA 0.240 58.475 58.200 0.060 0.000 0.934 146 S CB -0.137 63.041 63.200 -0.036 0.000 0.771 146 S HN 0.592 nan 8.310 nan 0.000 0.522 147 Y N 0.197 120.553 120.300 0.092 0.000 2.301 147 Y HA 0.367 4.917 4.550 0.000 0.000 0.325 147 Y C 0.135 176.019 175.900 -0.026 0.000 1.203 147 Y CA -0.936 57.126 58.100 -0.064 0.000 1.255 147 Y CB 0.337 38.735 38.460 -0.102 0.000 1.232 147 Y HN 0.041 nan 8.280 nan 0.000 0.501 148 Y N 0.490 120.869 120.300 0.132 0.000 2.307 148 Y HA 0.237 4.787 4.550 -0.000 0.000 0.324 148 Y C 0.882 176.848 175.900 0.111 0.000 1.238 148 Y CA -0.267 57.913 58.100 0.133 0.000 1.280 148 Y CB 1.244 39.735 38.460 0.051 0.000 1.248 148 Y HN 0.588 nan 8.280 nan 0.000 0.508 149 T N 2.174 116.912 114.554 0.306 0.000 2.880 149 T HA 0.754 5.104 4.350 -0.000 0.000 0.279 149 T C -0.925 173.886 174.700 0.184 0.000 0.990 149 T CA -0.727 61.473 62.100 0.168 0.000 0.938 149 T CB 0.551 69.490 68.868 0.119 0.000 1.206 149 T HN 0.762 nan 8.240 nan 0.000 0.573 150 R N 0.628 121.229 120.500 0.168 0.000 2.643 150 R HA 0.465 4.805 4.340 -0.000 0.000 0.269 150 R C 0.134 176.586 176.300 0.253 0.000 1.037 150 R CA -0.862 55.358 56.100 0.201 0.000 0.894 150 R CB 0.467 30.855 30.300 0.146 0.000 1.238 150 R HN 0.346 nan 8.270 nan 0.000 0.459 151 I N 1.198 121.957 120.570 0.314 0.000 2.406 151 I HA 0.106 4.276 4.170 -0.000 0.000 0.249 151 I C 0.742 176.977 176.117 0.196 0.000 1.122 151 I CA 0.745 62.198 61.300 0.255 0.000 1.431 151 I CB -0.746 37.465 38.000 0.353 0.000 1.087 151 I HN 0.522 nan 8.210 nan 0.000 0.424 152 L N 2.541 123.846 121.223 0.138 0.000 2.346 152 L HA 0.395 4.735 4.340 -0.000 0.000 0.274 152 L C -2.238 174.588 176.870 -0.074 0.000 1.007 152 L CA -1.781 53.020 54.840 -0.065 0.000 0.818 152 L CB 2.164 43.987 42.059 -0.395 0.000 1.284 152 L HN -0.125 nan 8.230 nan 0.000 0.424 153 P HA 0.037 nan 4.420 nan 0.000 0.271 153 P C -0.376 176.821 177.300 -0.172 0.000 1.244 153 P CA -0.328 62.561 63.100 -0.352 0.000 0.793 153 P CB 0.805 32.174 31.700 -0.552 0.000 0.984 154 S N -0.184 115.447 115.700 -0.115 0.000 2.617 154 S HA 0.140 4.610 4.470 -0.000 0.000 0.259 154 S C 0.245 174.843 174.600 -0.004 0.000 1.301 154 S CA -0.706 57.468 58.200 -0.042 0.000 0.984 154 S CB -0.091 63.096 63.200 -0.021 0.000 0.954 154 S HN 0.246 nan 8.310 nan 0.000 0.572 155 V N 3.529 123.471 119.914 0.045 0.000 2.415 155 V HA 0.260 4.380 4.120 -0.000 0.000 0.267 155 V C -2.078 174.044 176.094 0.047 0.000 1.042 155 V CA -1.521 60.842 62.300 0.105 0.000 1.000 155 V CB -0.083 31.815 31.823 0.125 0.000 1.015 155 V HN 0.770 nan 8.190 nan 0.000 0.478 156 P HA -0.032 nan 4.420 nan 0.000 0.261 156 P C 0.717 178.017 177.300 0.001 0.000 1.158 156 P CA 0.407 63.510 63.100 0.004 0.000 0.758 156 P CB 0.311 32.000 31.700 -0.018 0.000 0.763 157 R N 2.302 122.807 120.500 0.009 0.000 2.328 157 R HA -0.087 4.253 4.340 -0.000 0.000 0.207 157 R C 0.540 176.841 176.300 0.002 0.000 1.056 157 R CA 1.091 57.198 56.100 0.011 0.000 1.016 157 R CB -0.387 29.926 30.300 0.021 0.000 0.872 157 R HN 0.604 nan 8.270 nan 0.000 0.471 158 D N -0.803 119.592 120.400 -0.009 0.000 2.559 158 D HA 0.046 4.686 4.640 -0.000 0.000 0.234 158 D C -0.136 176.140 176.300 -0.040 0.000 1.226 158 D CA -0.452 53.539 54.000 -0.015 0.000 0.830 158 D CB -0.444 40.352 40.800 -0.007 0.000 1.028 158 D HN -0.050 nan 8.370 nan 0.000 0.492 159 c N 0.819 119.384 118.600 -0.058 0.000 2.398 159 c HA 0.338 4.908 4.570 -0.000 0.000 0.364 159 c C -0.640 173.401 174.090 -0.082 0.000 1.219 159 c CA -1.042 55.223 56.329 -0.107 0.000 2.312 159 c CB 1.615 44.038 42.510 -0.145 0.000 2.428 159 c HN 0.162 nan 8.230 nan 0.000 0.564 160 P HA -0.084 nan 4.420 nan 0.000 0.214 160 P C 0.581 177.857 177.300 -0.040 0.000 1.163 160 P CA 1.598 64.661 63.100 -0.063 0.000 0.889 160 P CB -0.042 31.612 31.700 -0.077 0.000 0.790 161 T N -6.858 107.666 114.554 -0.049 0.000 2.950 161 T HA 0.399 4.749 4.350 -0.000 0.000 0.288 161 T C -2.244 172.456 174.700 0.002 0.000 1.035 161 T CA -2.378 59.716 62.100 -0.010 0.000 1.028 161 T CB 1.452 70.323 68.868 0.004 0.000 1.109 161 T HN -0.252 nan 8.240 nan 0.000 0.514 162 P HA -0.045 nan 4.420 nan 0.000 0.218 162 P C 1.110 178.457 177.300 0.077 0.000 1.146 162 P CA 1.218 64.351 63.100 0.055 0.000 0.813 162 P CB 0.016 31.762 31.700 0.076 0.000 0.778 163 M N -2.543 117.110 119.600 0.087 0.000 2.419 163 M HA 0.331 4.811 4.480 -0.000 0.000 0.252 163 M C 1.222 177.582 176.300 0.099 0.000 1.143 163 M CA 0.469 55.847 55.300 0.130 0.000 0.985 163 M CB -0.129 32.563 32.600 0.154 0.000 1.489 163 M HN 0.062 nan 8.290 nan 0.000 0.484 164 G N 0.661 109.445 108.800 -0.028 0.000 2.938 164 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.234 164 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.234 164 G C 0.696 175.418 174.900 -0.297 0.000 1.707 164 G CA 0.249 45.206 45.100 -0.239 0.000 1.299 164 G HN 0.189 nan 8.290 nan 0.000 0.515 165 T N 2.053 116.401 114.554 -0.344 0.000 3.000 165 T HA 0.318 4.668 4.350 -0.000 0.000 0.248 165 T C 0.939 175.579 174.700 -0.100 0.000 1.034 165 T CA 1.328 63.252 62.100 -0.293 0.000 1.060 165 T CB -0.013 68.577 68.868 -0.462 0.000 0.983 165 T HN 0.452 nan 8.240 nan 0.000 0.482 166 K N 0.542 120.918 120.400 -0.040 0.000 2.245 166 K HA 0.625 4.945 4.320 -0.000 0.000 0.234 166 K C 0.428 177.069 176.600 0.068 0.000 1.021 166 K CA -0.500 55.806 56.287 0.030 0.000 0.898 166 K CB 1.525 34.058 32.500 0.054 0.000 1.163 166 K HN 0.255 nan 8.250 nan 0.000 0.459 167 G N 0.877 109.735 108.800 0.098 0.000 2.725 167 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.220 167 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.220 167 G C -0.989 173.969 174.900 0.096 0.000 1.357 167 G CA -0.667 44.514 45.100 0.135 0.000 0.866 167 G HN 0.494 nan 8.290 nan 0.000 0.548 168 K N 0.034 120.493 120.400 0.098 0.000 2.090 168 K HA 0.413 4.733 4.320 -0.000 0.000 0.250 168 K C 1.018 177.647 176.600 0.047 0.000 1.004 168 K CA -0.814 55.507 56.287 0.057 0.000 0.919 168 K CB 1.010 33.532 32.500 0.037 0.000 1.045 168 K HN 0.340 nan 8.250 nan 0.000 0.471 169 K N 0.852 121.269 120.400 0.028 0.000 2.439 169 K HA -0.072 4.248 4.320 -0.000 0.000 0.197 169 K C 0.320 176.932 176.600 0.021 0.000 1.041 169 K CA 0.940 57.239 56.287 0.021 0.000 0.970 169 K CB 0.163 32.669 32.500 0.011 0.000 0.773 169 K HN 0.447 nan 8.250 nan 0.000 0.479 170 Q N 0.291 120.101 119.800 0.017 0.000 2.375 170 Q HA 0.356 4.696 4.340 -0.000 0.000 0.271 170 Q C -1.539 174.466 176.000 0.009 0.000 1.074 170 Q CA -0.556 55.252 55.803 0.008 0.000 0.808 170 Q CB 1.519 30.250 28.738 -0.012 0.000 1.327 170 Q HN -0.130 nan 8.270 nan 0.000 0.441 171 L N 4.118 125.350 121.223 0.016 0.000 2.344 171 L HA 0.613 4.953 4.340 -0.000 0.000 0.272 171 L C -2.103 174.733 176.870 -0.057 0.000 1.035 171 L CA -1.990 52.856 54.840 0.011 0.000 0.807 171 L CB 0.828 42.939 42.059 0.086 0.000 1.237 171 L HN 0.656 nan 8.230 nan 0.000 0.442 172 P HA -0.045 nan 4.420 nan 0.000 0.263 172 P C -0.992 176.303 177.300 -0.009 0.000 1.175 172 P CA -0.058 62.952 63.100 -0.150 0.000 0.761 172 P CB 0.196 31.692 31.700 -0.340 0.000 0.794 173 D N 2.367 122.782 120.400 0.024 0.000 2.451 173 D HA 0.099 4.739 4.640 -0.000 0.000 0.254 173 D C 1.314 177.697 176.300 0.139 0.000 1.204 173 D CA 0.312 54.352 54.000 0.066 0.000 0.896 173 D CB 0.507 41.333 40.800 0.044 0.000 1.136 173 D HN 0.342 nan 8.370 nan 0.000 0.499 174 A N 4.130 127.010 122.820 0.101 0.000 1.884 174 A HA -0.310 4.010 4.320 -0.000 0.000 0.219 174 A C 1.985 179.641 177.584 0.119 0.000 1.197 174 A CA 2.134 54.235 52.037 0.106 0.000 0.637 174 A CB -0.849 18.194 19.000 0.071 0.000 0.827 174 A HN 0.776 nan 8.150 nan 0.000 0.450 175 E N -0.787 119.480 120.200 0.112 0.000 2.065 175 E HA -0.247 4.103 4.350 -0.000 0.000 0.201 175 E C 1.705 178.386 176.600 0.135 0.000 1.016 175 E CA 2.052 58.517 56.400 0.109 0.000 0.818 175 E CB -0.574 29.185 29.700 0.098 0.000 0.749 175 E HN 0.589 nan 8.360 nan 0.000 0.453 176 F N 0.122 120.084 119.950 0.020 0.000 2.102 176 F HA -0.126 4.401 4.527 -0.000 0.000 0.298 176 F C 2.003 177.834 175.800 0.051 0.000 1.105 176 F CA 1.393 59.400 58.000 0.011 0.000 1.239 176 F CB -0.544 38.453 39.000 -0.004 0.000 0.991 176 F HN 0.229 nan 8.300 nan 0.000 0.474 177 L N 0.147 121.451 121.223 0.135 0.000 2.079 177 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 177 L C 2.405 179.347 176.870 0.121 0.000 1.081 177 L CA 2.060 56.994 54.840 0.158 0.000 0.752 177 L CB -1.321 40.859 42.059 0.202 0.000 0.896 177 L HN 0.181 nan 8.230 nan 0.000 0.433 178 S N -0.458 115.287 115.700 0.075 0.000 2.368 178 S HA -0.117 4.353 4.470 -0.000 0.000 0.224 178 S C 1.881 176.473 174.600 -0.013 0.000 1.029 178 S CA 1.196 59.433 58.200 0.062 0.000 0.988 178 S CB -0.213 63.030 63.200 0.071 0.000 0.838 178 S HN 0.507 nan 8.310 nan 0.000 0.462 179 R N 0.856 121.302 120.500 -0.090 0.000 2.115 179 R HA 0.142 4.482 4.340 -0.000 0.000 0.226 179 R C 2.377 178.510 176.300 -0.279 0.000 1.100 179 R CA 0.577 56.590 56.100 -0.145 0.000 0.980 179 R CB -0.161 30.067 30.300 -0.121 0.000 0.875 179 R HN 0.264 nan 8.270 nan 0.000 0.445 180 R N 0.129 120.333 120.500 -0.492 0.000 2.075 180 R HA 0.002 4.342 4.340 -0.000 0.000 0.226 180 R C 1.417 177.232 176.300 -0.808 0.000 1.114 180 R CA 1.261 56.867 56.100 -0.823 0.000 0.972 180 R CB -0.018 29.448 30.300 -1.391 0.000 0.869 180 R HN 0.250 nan 8.270 nan 0.000 0.437 181 F N -1.003 118.829 119.950 -0.196 0.000 2.728 181 F HA 0.260 4.787 4.527 -0.000 0.000 0.314 181 F C 1.712 177.450 175.800 -0.103 0.000 1.094 181 F CA -0.010 57.909 58.000 -0.135 0.000 1.217 181 F CB 0.345 39.273 39.000 -0.120 0.000 1.056 181 F HN -0.174 nan 8.300 nan 0.000 0.577 182 L N -0.763 120.503 121.223 0.072 0.000 2.717 182 L HA 0.287 4.627 4.340 -0.000 0.000 0.239 182 L C 0.547 177.428 176.870 0.018 0.000 1.086 182 L CA 0.051 54.916 54.840 0.041 0.000 0.897 182 L CB 0.684 42.781 42.059 0.063 0.000 1.214 182 L HN -0.021 nan 8.230 nan 0.000 0.508 183 L N 2.780 123.999 121.223 -0.007 0.000 2.584 183 L HA 0.012 4.352 4.340 -0.000 0.000 0.272 183 L C 0.883 177.751 176.870 -0.004 0.000 1.195 183 L CA 0.219 55.057 54.840 -0.004 0.000 0.920 183 L CB 0.399 42.436 42.059 -0.036 0.000 1.173 183 L HN 0.250 nan 8.230 nan 0.000 0.489 184 R N 4.876 125.393 120.500 0.029 0.000 2.404 184 R HA 0.021 4.361 4.340 -0.000 0.000 0.315 184 R C 0.569 176.887 176.300 0.030 0.000 1.032 184 R CA 0.182 56.302 56.100 0.033 0.000 0.992 184 R CB 0.548 30.896 30.300 0.079 0.000 0.959 184 R HN 0.735 nan 8.270 nan 0.000 0.428 185 R N 2.406 122.909 120.500 0.005 0.000 2.072 185 R HA 0.094 4.434 4.340 -0.000 0.000 0.214 185 R C -0.035 176.280 176.300 0.025 0.000 1.168 185 R CA 0.707 56.806 56.100 -0.002 0.000 1.020 185 R CB 0.194 30.476 30.300 -0.030 0.000 0.914 185 R HN 0.231 nan 8.270 nan 0.000 0.449 186 K N 0.305 120.721 120.400 0.028 0.000 2.397 186 K HA 0.195 4.515 4.320 -0.000 0.000 0.253 186 K C -1.564 175.090 176.600 0.089 0.000 0.932 186 K CA -0.780 55.543 56.287 0.060 0.000 0.795 186 K CB 1.055 33.573 32.500 0.031 0.000 1.159 186 K HN -0.127 nan 8.250 nan 0.000 0.424 187 F N 5.459 125.398 119.950 -0.018 0.000 2.590 187 F HA 0.217 4.744 4.527 0.000 0.000 0.389 187 F C -0.295 175.483 175.800 -0.037 0.000 1.049 187 F CA 0.268 58.252 58.000 -0.026 0.000 1.199 187 F CB 0.124 39.106 39.000 -0.030 0.000 1.058 187 F HN 0.401 nan 8.300 nan 0.000 0.556 188 I N 9.591 129.795 120.570 -0.610 0.000 2.330 188 I HA 0.259 4.429 4.170 -0.000 0.000 0.286 188 I C -2.071 173.539 176.117 -0.845 0.000 1.025 188 I CA -2.108 58.899 61.300 -0.488 0.000 1.197 188 I CB 0.846 38.657 38.000 -0.316 0.000 1.358 188 I HN 0.439 nan 8.210 nan 0.000 0.467 189 P HA 0.041 nan 4.420 nan 0.000 0.274 189 P C -0.771 176.361 177.300 -0.279 0.000 1.231 189 P CA -0.284 62.583 63.100 -0.390 0.000 0.790 189 P CB 0.989 32.779 31.700 0.151 0.000 0.951 190 D N 3.364 123.609 120.400 -0.260 0.000 2.401 190 D HA 0.023 4.663 4.640 -0.000 0.000 0.254 190 D C -1.059 175.115 176.300 -0.209 0.000 1.192 190 D CA -1.729 52.109 54.000 -0.270 0.000 0.885 190 D CB 0.345 40.939 40.800 -0.342 0.000 1.147 190 D HN 0.182 nan 8.370 nan 0.000 0.478 191 P HA -0.186 nan 4.420 nan 0.000 0.220 191 P C 0.815 178.028 177.300 -0.144 0.000 1.148 191 P CA 1.136 64.160 63.100 -0.127 0.000 0.803 191 P CB 0.238 31.878 31.700 -0.101 0.000 0.782 192 Q N -1.074 118.592 119.800 -0.223 0.000 2.297 192 Q HA 0.073 4.413 4.340 -0.000 0.000 0.204 192 Q C 1.513 177.281 176.000 -0.386 0.000 0.962 192 Q CA 1.109 56.753 55.803 -0.264 0.000 0.879 192 Q CB -0.297 28.251 28.738 -0.317 0.000 0.947 192 Q HN 0.356 nan 8.270 nan 0.000 0.462 193 G N 0.509 109.086 108.800 -0.371 0.000 2.184 193 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.206 193 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.206 193 G C 0.231 174.871 174.900 -0.434 0.000 0.995 193 G CA 0.015 44.850 45.100 -0.442 0.000 0.651 193 G HN 0.281 nan 8.290 nan 0.000 0.511 194 T N 2.138 116.402 114.554 -0.484 0.000 2.923 194 T HA 0.375 4.725 4.350 -0.000 0.000 0.304 194 T C 0.679 175.232 174.700 -0.246 0.000 1.044 194 T CA 1.048 62.835 62.100 -0.522 0.000 1.141 194 T CB 0.717 69.045 68.868 -0.901 0.000 1.023 194 T HN 0.945 nan 8.240 nan 0.000 0.533 195 N N 1.877 120.527 118.700 -0.083 0.000 2.619 195 N HA 0.339 5.079 4.740 -0.000 0.000 0.294 195 N C 0.782 176.352 175.510 0.100 0.000 1.279 195 N CA -1.272 51.820 53.050 0.069 0.000 0.867 195 N CB 0.411 39.022 38.487 0.205 0.000 1.329 195 N HN 0.381 nan 8.380 nan 0.000 0.557 196 L N -1.074 120.213 121.223 0.107 0.000 2.362 196 L HA -0.005 4.335 4.340 -0.000 0.000 0.219 196 L C 1.973 178.933 176.870 0.149 0.000 1.134 196 L CA 0.794 55.605 54.840 -0.048 0.000 0.807 196 L CB -0.485 41.459 42.059 -0.193 0.000 0.927 196 L HN 0.579 nan 8.230 nan 0.000 0.447 197 M N 0.269 120.128 119.600 0.432 0.000 2.117 197 M HA -0.241 4.239 4.480 -0.000 0.000 0.262 197 M C 2.051 178.786 176.300 0.726 0.000 1.065 197 M CA 1.910 57.601 55.300 0.652 0.000 1.114 197 M CB -0.487 32.464 32.600 0.586 0.000 1.361 197 M HN 0.194 nan 8.290 nan 0.000 0.408 198 F N 0.514 120.652 119.950 0.313 0.000 2.113 198 F HA 0.035 4.562 4.527 -0.000 0.000 0.297 198 F C 2.038 177.800 175.800 -0.064 0.000 1.103 198 F CA 1.532 59.458 58.000 -0.125 0.000 1.248 198 F CB -1.079 37.734 39.000 -0.313 0.000 0.999 198 F HN 0.182 nan 8.300 nan 0.000 0.475 199 A N 0.665 123.712 122.820 0.379 0.000 1.859 199 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 199 A C 2.110 179.708 177.584 0.024 0.000 1.198 199 A CA 2.155 54.278 52.037 0.144 0.000 0.629 199 A CB -1.682 17.227 19.000 -0.152 0.000 0.830 199 A HN 0.425 nan 8.150 nan 0.000 0.446 200 F N -1.518 118.528 119.950 0.160 0.000 2.216 200 F HA -0.070 4.457 4.527 0.000 0.000 0.300 200 F C 1.977 177.771 175.800 -0.009 0.000 1.085 200 F CA 0.773 58.828 58.000 0.091 0.000 1.326 200 F CB -0.973 38.122 39.000 0.158 0.000 1.027 200 F HN 0.325 nan 8.300 nan 0.000 0.497 201 F N 0.832 120.812 119.950 0.051 0.000 2.102 201 F HA -0.152 4.375 4.527 -0.000 0.000 0.298 201 F C 2.393 178.117 175.800 -0.127 0.000 1.105 201 F CA 1.305 59.093 58.000 -0.353 0.000 1.239 201 F CB -0.822 38.053 39.000 -0.208 0.000 0.991 201 F HN -0.076 nan 8.300 nan 0.000 0.474 202 A N -0.307 122.628 122.820 0.190 0.000 1.908 202 A HA -0.287 4.033 4.320 -0.000 0.000 0.218 202 A C 2.256 179.823 177.584 -0.028 0.000 1.181 202 A CA 1.933 54.083 52.037 0.188 0.000 0.627 202 A CB -1.061 17.963 19.000 0.041 0.000 0.818 202 A HN 0.604 nan 8.150 nan 0.000 0.445 203 Q N -1.530 118.229 119.800 -0.068 0.000 2.050 203 Q HA -0.257 4.083 4.340 -0.000 0.000 0.202 203 Q C 2.033 177.849 176.000 -0.306 0.000 0.980 203 Q CA 1.971 57.645 55.803 -0.215 0.000 0.840 203 Q CB -0.242 28.408 28.738 -0.146 0.000 0.898 203 Q HN 0.881 nan 8.270 nan 0.000 0.424 204 H N -0.357 118.487 119.070 -0.378 0.000 2.253 204 H HA -0.204 4.352 4.556 -0.000 0.000 0.296 204 H C 1.684 176.958 175.328 -0.091 0.000 1.074 204 H CA 2.338 58.138 56.048 -0.414 0.000 1.263 204 H CB -0.711 28.718 29.762 -0.555 0.000 1.363 204 H HN 0.336 nan 8.280 nan 0.000 0.489 205 F N 1.290 121.081 119.950 -0.266 0.000 2.120 205 F HA -0.263 4.264 4.527 -0.000 0.000 0.300 205 F C 2.496 177.883 175.800 -0.689 0.000 1.095 205 F CA 2.400 60.191 58.000 -0.349 0.000 1.249 205 F CB -0.961 37.907 39.000 -0.220 0.000 0.995 205 F HN 0.398 nan 8.300 nan 0.000 0.480 206 T N -2.836 111.199 114.554 -0.865 0.000 2.904 206 T HA -0.187 4.163 4.350 -0.000 0.000 0.267 206 T C 1.350 175.468 174.700 -0.969 0.000 1.059 206 T CA 1.557 62.838 62.100 -1.366 0.000 1.137 206 T CB -0.857 67.578 68.868 -0.722 0.000 0.879 206 T HN 0.365 nan 8.240 nan 0.000 0.467 207 H N 1.823 120.554 119.070 -0.565 0.000 2.572 207 H HA 0.202 4.758 4.556 -0.000 0.000 0.278 207 H C 2.082 177.202 175.328 -0.346 0.000 1.050 207 H CA 0.416 56.300 56.048 -0.274 0.000 1.168 207 H CB -0.355 29.450 29.762 0.071 0.000 1.316 207 H HN 0.770 nan 8.280 nan 0.000 0.610 208 Q N -0.497 118.953 119.800 -0.584 0.000 2.350 208 Q HA 0.028 4.368 4.340 -0.000 0.000 0.225 208 Q C 0.295 176.018 176.000 -0.461 0.000 0.878 208 Q CA 0.255 55.685 55.803 -0.621 0.000 0.935 208 Q CB 0.213 28.251 28.738 -1.166 0.000 1.099 208 Q HN 0.407 nan 8.270 nan 0.000 0.527 209 F N -2.418 117.183 119.950 -0.582 0.000 2.781 209 F HA 0.565 5.092 4.527 -0.000 0.000 0.322 209 F C -0.857 174.639 175.800 -0.508 0.000 1.108 209 F CA -1.403 56.253 58.000 -0.573 0.000 1.179 209 F CB 0.623 39.244 39.000 -0.632 0.000 1.072 209 F HN -0.203 nan 8.300 nan 0.000 0.545 210 F N 2.526 122.338 119.950 -0.231 0.000 2.496 210 F HA 0.597 5.124 4.527 -0.000 0.000 0.341 210 F C -0.029 175.621 175.800 -0.250 0.000 1.134 210 F CA -1.757 56.125 58.000 -0.197 0.000 0.968 210 F CB 1.911 40.627 39.000 -0.474 0.000 1.205 210 F HN 0.020 nan 8.300 nan 0.000 0.436 211 K N 2.184 122.644 120.400 0.100 0.000 3.204 211 K HA 0.184 4.504 4.320 -0.000 0.000 0.196 211 K C -0.918 175.708 176.600 0.044 0.000 1.229 211 K CA -0.054 56.227 56.287 -0.010 0.000 0.820 211 K CB 0.625 33.077 32.500 -0.080 0.000 1.130 211 K HN 0.551 nan 8.250 nan 0.000 0.569 212 T N 0.925 115.556 114.554 0.129 0.000 2.867 212 T HA -0.047 4.303 4.350 -0.000 0.000 0.297 212 T C 0.409 175.163 174.700 0.089 0.000 0.989 212 T CA 0.402 62.606 62.100 0.173 0.000 1.159 212 T CB 1.106 70.096 68.868 0.203 0.000 0.928 212 T HN 0.278 nan 8.240 nan 0.000 0.538 213 S N 2.883 118.632 115.700 0.082 0.000 2.503 213 S HA 0.229 4.699 4.470 -0.000 0.000 0.317 213 S C 1.746 176.380 174.600 0.056 0.000 1.162 213 S CA -0.469 57.758 58.200 0.044 0.000 1.124 213 S CB -0.412 62.794 63.200 0.011 0.000 1.207 213 S HN 0.865 nan 8.310 nan 0.000 0.538 214 G N 5.005 113.828 108.800 0.039 0.000 2.448 214 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.219 214 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.219 214 G C 1.623 176.532 174.900 0.015 0.000 1.127 214 G CA 0.558 45.677 45.100 0.031 0.000 0.766 214 G HN 0.739 nan 8.290 nan 0.000 0.552 215 K N 0.135 120.532 120.400 -0.006 0.000 2.155 215 K HA 0.133 4.453 4.320 -0.000 0.000 0.203 215 K C 2.143 178.707 176.600 -0.059 0.000 1.052 215 K CA 0.633 56.901 56.287 -0.032 0.000 0.948 215 K CB -0.426 32.046 32.500 -0.046 0.000 0.728 215 K HN 0.365 nan 8.250 nan 0.000 0.448 216 M N 0.395 119.950 119.600 -0.075 0.000 2.501 216 M HA 0.124 4.604 4.480 -0.000 0.000 0.261 216 M C 0.500 176.840 176.300 0.066 0.000 1.129 216 M CA 0.679 55.879 55.300 -0.167 0.000 1.126 216 M CB 0.324 32.649 32.600 -0.459 0.000 1.359 216 M HN 0.399 nan 8.290 nan 0.000 0.471 217 G N 0.810 109.699 108.800 0.149 0.000 2.525 217 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.685 217 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.685 217 G C -3.223 171.820 174.900 0.238 0.000 1.290 217 G CA -1.375 43.838 45.100 0.189 0.000 0.915 217 G HN 0.020 nan 8.290 nan 0.000 0.548 218 P HA 0.449 nan 4.420 nan 0.000 0.272 218 P C 1.128 178.450 177.300 0.037 0.000 1.230 218 P CA 1.858 65.013 63.100 0.092 0.000 0.788 218 P CB 0.890 32.605 31.700 0.025 0.000 0.949 219 G N -0.831 107.998 108.800 0.049 0.000 2.217 219 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.246 219 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.246 219 G C -0.235 174.505 174.900 -0.266 0.000 0.990 219 G CA -0.401 44.650 45.100 -0.082 0.000 0.627 219 G HN 0.384 nan 8.290 nan 0.000 0.522 220 F N 1.035 121.058 119.950 0.123 0.000 2.469 220 F HA 0.756 5.283 4.527 0.000 0.000 0.332 220 F C 0.526 176.186 175.800 -0.233 0.000 1.103 220 F CA -0.297 57.626 58.000 -0.128 0.000 0.979 220 F CB 2.355 41.257 39.000 -0.165 0.000 1.137 220 F HN 0.034 nan 8.300 nan 0.000 0.463 221 T N 1.582 115.957 114.554 -0.297 0.000 2.908 221 T HA 0.366 4.716 4.350 -0.000 0.000 0.290 221 T C 0.516 175.086 174.700 -0.217 0.000 1.034 221 T CA -0.594 61.246 62.100 -0.434 0.000 1.010 221 T CB 1.299 69.599 68.868 -0.946 0.000 1.068 221 T HN 0.716 nan 8.240 nan 0.000 0.481 222 K N 1.752 122.055 120.400 -0.160 0.000 2.354 222 K HA 0.304 4.624 4.320 -0.000 0.000 0.194 222 K C 0.898 177.420 176.600 -0.130 0.000 1.038 222 K CA -0.007 56.211 56.287 -0.114 0.000 1.052 222 K CB 0.526 32.979 32.500 -0.077 0.000 0.861 222 K HN 0.545 nan 8.250 nan 0.000 0.535 223 A N 2.406 125.115 122.820 -0.185 0.000 3.118 223 A HA 0.226 4.546 4.320 -0.000 0.000 0.256 223 A C 0.111 177.577 177.584 -0.196 0.000 1.667 223 A CA -0.336 51.591 52.037 -0.184 0.000 1.338 223 A CB -0.879 18.002 19.000 -0.198 0.000 1.127 223 A HN 0.157 nan 8.150 nan 0.000 0.634 224 L N 0.192 121.367 121.223 -0.079 0.000 2.499 224 L HA 0.425 4.765 4.340 -0.000 0.000 0.273 224 L C 1.455 178.380 176.870 0.092 0.000 1.195 224 L CA 0.868 55.760 54.840 0.086 0.000 0.882 224 L CB 0.304 42.388 42.059 0.041 0.000 1.133 224 L HN 0.685 nan 8.230 nan 0.000 0.483 225 G N 0.319 109.252 108.800 0.221 0.000 3.288 225 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.195 225 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.195 225 G C 0.330 175.317 174.900 0.146 0.000 1.093 225 G CA -0.165 44.993 45.100 0.096 0.000 0.852 225 G HN 0.794 nan 8.290 nan 0.000 0.453 226 H N 1.257 120.285 119.070 -0.071 0.000 2.557 226 H HA -0.075 4.481 4.556 -0.000 0.000 0.319 226 H C 1.064 176.309 175.328 -0.138 0.000 1.102 226 H CA 1.613 57.612 56.048 -0.082 0.000 1.126 226 H CB -1.410 28.306 29.762 -0.077 0.000 1.498 226 H HN 1.876 nan 8.280 nan 0.000 0.411 227 G N -1.514 107.251 108.800 -0.057 0.000 2.336 227 G HA2 0.194 4.154 3.960 -0.000 0.000 0.286 227 G HA3 0.194 4.154 3.960 -0.000 0.000 0.286 227 G C -0.555 174.335 174.900 -0.016 0.000 1.269 227 G CA -0.341 44.677 45.100 -0.138 0.000 0.873 227 G HN 0.158 nan 8.290 nan 0.000 0.494 228 V N 2.351 122.278 119.914 0.022 0.000 2.054 228 V HA 0.183 4.303 4.120 -0.000 0.000 0.243 228 V C 0.870 176.999 176.094 0.058 0.000 1.480 228 V CA 1.038 63.383 62.300 0.075 0.000 1.440 228 V CB -0.288 31.649 31.823 0.189 0.000 1.489 228 V HN 0.733 nan 8.190 nan 0.000 0.502 229 D N 1.912 122.319 120.400 0.011 0.000 2.349 229 D HA 0.019 4.659 4.640 -0.000 0.000 0.214 229 D C 0.973 177.325 176.300 0.086 0.000 1.063 229 D CA -0.518 53.516 54.000 0.057 0.000 0.847 229 D CB 0.233 41.059 40.800 0.043 0.000 0.933 229 D HN 0.238 nan 8.370 nan 0.000 0.513 230 L N 0.133 121.352 121.223 -0.007 0.000 3.865 230 L HA -0.140 4.200 4.340 -0.000 0.000 0.408 230 L C 1.621 178.562 176.870 0.118 0.000 1.209 230 L CA 0.638 55.501 54.840 0.038 0.000 0.940 230 L CB -1.813 40.361 42.059 0.192 0.000 1.971 230 L HN 0.336 nan 8.230 nan 0.000 0.899 231 G N -1.072 107.719 108.800 -0.015 0.000 2.679 231 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.212 231 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.212 231 G C 1.107 175.999 174.900 -0.013 0.000 1.137 231 G CA 0.644 45.758 45.100 0.025 0.000 0.787 231 G HN 0.806 nan 8.290 nan 0.000 0.534 232 H N -0.577 118.345 119.070 -0.247 0.000 2.551 232 H HA 0.278 4.834 4.556 0.000 0.000 0.266 232 H C 1.801 176.940 175.328 -0.315 0.000 0.977 232 H CA -0.328 55.499 56.048 -0.369 0.000 1.163 232 H CB -0.335 29.166 29.762 -0.435 0.000 1.381 232 H HN 0.422 nan 8.280 nan 0.000 0.581 233 I N -0.932 119.589 120.570 -0.081 0.000 2.947 233 I HA -0.050 4.120 4.170 -0.000 0.000 0.263 233 I C 1.114 176.962 176.117 -0.449 0.000 1.130 233 I CA 0.217 61.275 61.300 -0.404 0.000 1.448 233 I CB 0.113 37.694 38.000 -0.699 0.000 1.222 233 I HN 0.004 nan 8.210 nan 0.000 0.453 234 Y N 1.342 121.670 120.300 0.046 0.000 2.500 234 Y HA 0.452 5.002 4.550 -0.000 0.000 0.270 234 Y C 1.110 177.034 175.900 0.039 0.000 1.134 234 Y CA 0.116 58.261 58.100 0.074 0.000 1.293 234 Y CB -0.161 38.395 38.460 0.161 0.000 1.063 234 Y HN 0.151 nan 8.280 nan 0.000 0.534 235 G N 0.941 109.792 108.800 0.086 0.000 2.617 235 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.686 235 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.686 235 G C -0.324 174.585 174.900 0.014 0.000 1.214 235 G CA -0.329 44.784 45.100 0.021 0.000 0.796 235 G HN 0.301 nan 8.290 nan 0.000 0.654 236 D N 0.040 120.418 120.400 -0.037 0.000 2.336 236 D HA 0.065 4.705 4.640 -0.000 0.000 0.228 236 D C 0.465 176.742 176.300 -0.037 0.000 1.120 236 D CA 0.493 54.468 54.000 -0.042 0.000 0.839 236 D CB -0.240 40.516 40.800 -0.074 0.000 0.932 236 D HN 0.835 nan 8.370 nan 0.000 0.509 237 N N -0.276 118.403 118.700 -0.034 0.000 2.815 237 N HA -0.009 4.731 4.740 -0.000 0.000 0.253 237 N C 0.467 175.924 175.510 -0.089 0.000 1.202 237 N CA -0.697 52.319 53.050 -0.056 0.000 0.925 237 N CB 1.237 39.687 38.487 -0.062 0.000 1.622 237 N HN -0.187 nan 8.380 nan 0.000 0.497 238 L N 0.976 122.110 121.223 -0.148 0.000 1.991 238 L HA -0.308 4.032 4.340 -0.000 0.000 0.221 238 L C 1.870 178.509 176.870 -0.384 0.000 1.079 238 L CA 2.425 57.075 54.840 -0.318 0.000 0.778 238 L CB -0.432 41.408 42.059 -0.365 0.000 0.893 238 L HN 0.669 nan 8.230 nan 0.000 0.437 239 E N -0.580 119.482 120.200 -0.231 0.000 2.065 239 E HA -0.293 4.057 4.350 -0.000 0.000 0.201 239 E C 2.149 178.734 176.600 -0.025 0.000 1.016 239 E CA 1.742 58.075 56.400 -0.112 0.000 0.818 239 E CB -0.352 29.315 29.700 -0.054 0.000 0.749 239 E HN 0.349 nan 8.360 nan 0.000 0.453 240 R N 0.409 120.890 120.500 -0.031 0.000 2.092 240 R HA -0.160 4.180 4.340 -0.000 0.000 0.231 240 R C 2.416 178.740 176.300 0.040 0.000 1.119 240 R CA 1.601 57.704 56.100 0.004 0.000 0.970 240 R CB -0.091 30.198 30.300 -0.019 0.000 0.864 240 R HN 0.323 nan 8.270 nan 0.000 0.440 241 Q N -0.579 119.240 119.800 0.031 0.000 2.050 241 Q HA -0.209 4.131 4.340 -0.000 0.000 0.202 241 Q C 1.339 177.429 176.000 0.148 0.000 0.980 241 Q CA 1.412 57.272 55.803 0.095 0.000 0.840 241 Q CB -0.154 28.633 28.738 0.082 0.000 0.898 241 Q HN 0.390 nan 8.270 nan 0.000 0.424 242 Y N 0.666 120.969 120.300 0.006 0.000 2.403 242 Y HA -0.165 4.385 4.550 0.000 0.000 0.291 242 Y C 2.298 178.250 175.900 0.086 0.000 1.143 242 Y CA 1.185 59.349 58.100 0.106 0.000 1.257 242 Y CB -0.461 38.143 38.460 0.240 0.000 0.984 242 Y HN 0.310 nan 8.280 nan 0.000 0.550 243 Q N -0.491 119.427 119.800 0.197 0.000 2.096 243 Q HA -0.026 4.314 4.340 -0.000 0.000 0.197 243 Q C 1.827 177.860 176.000 0.055 0.000 0.964 243 Q CA 0.929 56.802 55.803 0.116 0.000 0.838 243 Q CB -0.279 28.506 28.738 0.078 0.000 0.906 243 Q HN 0.279 nan 8.270 nan 0.000 0.444 244 L N 0.022 121.268 121.223 0.039 0.000 2.478 244 L HA 0.100 4.440 4.340 -0.000 0.000 0.223 244 L C 0.329 177.182 176.870 -0.028 0.000 1.140 244 L CA 0.916 55.771 54.840 0.025 0.000 0.842 244 L CB -0.301 41.792 42.059 0.057 0.000 0.953 244 L HN 0.004 nan 8.230 nan 0.000 0.452 245 R N -0.597 119.798 120.500 -0.175 0.000 2.410 245 R HA 0.152 4.492 4.340 -0.000 0.000 0.288 245 R C 1.177 177.226 176.300 -0.419 0.000 1.051 245 R CA -0.318 55.528 56.100 -0.424 0.000 1.021 245 R CB 1.149 30.842 30.300 -1.010 0.000 1.032 245 R HN 0.062 nan 8.270 nan 0.000 0.481 246 L N 2.390 123.473 121.223 -0.233 0.000 2.156 246 L HA -0.039 4.301 4.340 -0.000 0.000 0.208 246 L C -0.069 176.772 176.870 -0.049 0.000 1.095 246 L CA 0.886 55.679 54.840 -0.079 0.000 0.770 246 L CB 0.114 42.204 42.059 0.052 0.000 0.914 246 L HN 0.740 nan 8.230 nan 0.000 0.439 247 F N 0.204 120.156 119.950 0.004 0.000 3.074 247 F HA -0.266 4.261 4.527 -0.000 0.000 0.289 247 F C 0.494 176.299 175.800 0.009 0.000 0.863 247 F CA 0.882 58.856 58.000 -0.043 0.000 1.121 247 F CB -1.529 37.407 39.000 -0.106 0.000 1.169 247 F HN 0.152 nan 8.300 nan 0.000 0.570 248 K N 0.053 120.541 120.400 0.146 0.000 2.581 248 K HA 0.440 4.760 4.320 -0.000 0.000 0.249 248 K C 0.108 176.798 176.600 0.151 0.000 0.966 248 K CA -0.218 56.153 56.287 0.140 0.000 0.811 248 K CB 1.144 33.713 32.500 0.115 0.000 1.223 248 K HN -0.006 nan 8.250 nan 0.000 0.438 249 D N 2.777 123.268 120.400 0.152 0.000 3.070 249 D HA -0.223 4.417 4.640 -0.000 0.000 0.220 249 D C 0.701 177.115 176.300 0.191 0.000 1.176 249 D CA 2.053 56.146 54.000 0.156 0.000 0.924 249 D CB -0.831 40.046 40.800 0.129 0.000 1.124 249 D HN 1.046 nan 8.370 nan 0.000 0.411 250 G N -1.236 107.703 108.800 0.232 0.000 2.179 250 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.260 250 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.260 250 G C 0.417 175.575 174.900 0.431 0.000 0.977 250 G CA 0.503 45.802 45.100 0.333 0.000 0.641 250 G HN 0.419 nan 8.290 nan 0.000 0.533 251 K N -0.298 120.292 120.400 0.316 0.000 2.319 251 K HA 0.598 4.918 4.320 -0.000 0.000 0.265 251 K C 0.346 177.160 176.600 0.357 0.000 1.000 251 K CA -0.423 56.084 56.287 0.367 0.000 0.943 251 K CB 0.495 33.168 32.500 0.290 0.000 0.950 251 K HN 0.110 nan 8.250 nan 0.000 0.485 252 L N 2.842 124.311 121.223 0.410 0.000 2.325 252 L HA 0.280 4.620 4.340 -0.000 0.000 0.279 252 L C 0.025 177.068 176.870 0.288 0.000 1.054 252 L CA 0.014 55.014 54.840 0.267 0.000 0.804 252 L CB 1.063 43.245 42.059 0.206 0.000 1.200 252 L HN 0.545 nan 8.230 nan 0.000 0.436 253 K N 3.227 123.722 120.400 0.159 0.000 2.188 253 K HA 0.314 4.634 4.320 -0.000 0.000 0.246 253 K C -1.162 175.588 176.600 0.250 0.000 1.026 253 K CA 0.436 56.782 56.287 0.098 0.000 0.871 253 K CB 0.393 32.897 32.500 0.006 0.000 1.042 253 K HN 0.637 nan 8.250 nan 0.000 0.509 254 Y N -3.188 117.146 120.300 0.057 0.000 3.035 254 Y HA 0.157 4.707 4.550 -0.000 0.000 0.388 254 Y C -1.969 173.969 175.900 0.062 0.000 1.268 254 Y CA -1.415 56.723 58.100 0.065 0.000 1.128 254 Y CB 0.684 39.181 38.460 0.061 0.000 1.820 254 Y HN 0.635 nan 8.280 nan 0.000 0.432 255 Q N 1.582 121.558 119.800 0.292 0.000 2.456 255 Q HA 0.707 5.047 4.340 -0.000 0.000 0.284 255 Q C -1.817 174.363 176.000 0.300 0.000 1.061 255 Q CA -1.282 54.630 55.803 0.181 0.000 0.799 255 Q CB 2.936 31.746 28.738 0.121 0.000 1.445 255 Q HN 0.670 nan 8.270 nan 0.000 0.411 256 M N 2.668 122.393 119.600 0.208 0.000 2.205 256 M HA 0.533 5.013 4.480 -0.000 0.000 0.344 256 M C -1.169 175.238 176.300 0.178 0.000 1.085 256 M CA -0.410 55.003 55.300 0.189 0.000 1.001 256 M CB 1.042 33.726 32.600 0.141 0.000 1.626 256 M HN 0.654 nan 8.290 nan 0.000 0.442 257 L N 3.784 125.154 121.223 0.244 0.000 2.436 257 L HA 0.409 4.749 4.340 -0.000 0.000 0.268 257 L C -0.007 176.988 176.870 0.208 0.000 0.974 257 L CA -0.674 54.289 54.840 0.204 0.000 0.826 257 L CB 1.974 44.154 42.059 0.202 0.000 1.291 257 L HN 0.751 nan 8.230 nan 0.000 0.406 258 N N 2.351 121.119 118.700 0.115 0.000 2.725 258 N HA -0.204 4.536 4.740 -0.000 0.000 0.249 258 N C 0.963 176.517 175.510 0.073 0.000 1.103 258 N CA 1.345 54.448 53.050 0.088 0.000 0.707 258 N CB -0.935 37.611 38.487 0.099 0.000 1.043 258 N HN 1.141 nan 8.380 nan 0.000 0.553 259 G N -1.403 107.436 108.800 0.064 0.000 2.155 259 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.257 259 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.257 259 G C -0.216 174.687 174.900 0.005 0.000 0.983 259 G CA 0.899 46.020 45.100 0.034 0.000 0.676 259 G HN 0.527 nan 8.290 nan 0.000 0.528 260 E N -0.664 119.542 120.200 0.010 0.000 2.244 260 E HA 0.536 4.886 4.350 -0.000 0.000 0.266 260 E C -0.137 176.310 176.600 -0.254 0.000 0.914 260 E CA -0.900 55.411 56.400 -0.149 0.000 0.794 260 E CB 2.490 32.070 29.700 -0.199 0.000 1.210 260 E HN 0.069 nan 8.360 nan 0.000 0.414 261 V N 3.097 122.775 119.914 -0.393 0.000 2.455 261 V HA 0.188 4.308 4.120 -0.000 0.000 0.273 261 V C -0.875 174.905 176.094 -0.523 0.000 1.045 261 V CA 0.139 62.249 62.300 -0.316 0.000 0.976 261 V CB -0.448 31.165 31.823 -0.349 0.000 0.993 261 V HN 0.491 nan 8.190 nan 0.000 0.475 262 Y N 4.367 124.724 120.300 0.094 0.000 2.581 262 Y HA 0.489 5.039 4.550 -0.000 0.000 0.345 262 Y C -2.371 173.607 175.900 0.130 0.000 1.036 262 Y CA -2.859 55.289 58.100 0.079 0.000 1.042 262 Y CB 1.883 40.376 38.460 0.055 0.000 1.289 262 Y HN 0.412 nan 8.280 nan 0.000 0.471 263 P HA -0.027 nan 4.420 nan 0.000 0.266 263 P C -2.445 174.965 177.300 0.184 0.000 1.193 263 P CA -0.451 62.775 63.100 0.209 0.000 0.770 263 P CB -0.016 31.786 31.700 0.170 0.000 0.836 264 P HA -0.010 nan 4.420 nan 0.000 0.272 264 P C -0.340 176.995 177.300 0.059 0.000 1.254 264 P CA 0.027 63.177 63.100 0.084 0.000 0.795 264 P CB 0.411 32.140 31.700 0.049 0.000 1.022 265 S N -0.923 114.793 115.700 0.026 0.000 2.632 265 S HA 0.148 4.618 4.470 -0.000 0.000 0.271 265 S C 1.343 175.942 174.600 -0.001 0.000 1.260 265 S CA -0.718 57.483 58.200 0.001 0.000 1.010 265 S CB 0.441 63.630 63.200 -0.019 0.000 0.965 265 S HN 0.199 nan 8.310 nan 0.000 0.534 266 V N 1.526 121.430 119.914 -0.017 0.000 2.867 266 V HA -0.130 3.990 4.120 -0.000 0.000 0.260 266 V C 2.631 178.719 176.094 -0.010 0.000 1.099 266 V CA 2.192 64.487 62.300 -0.008 0.000 1.122 266 V CB -1.235 30.575 31.823 -0.021 0.000 0.708 266 V HN 1.030 nan 8.190 nan 0.000 0.490 267 E N -0.196 119.993 120.200 -0.019 0.000 2.072 267 E HA -0.200 4.150 4.350 -0.000 0.000 0.191 267 E C 2.199 178.795 176.600 -0.007 0.000 0.985 267 E CA 1.042 57.433 56.400 -0.015 0.000 0.801 267 E CB 0.129 29.817 29.700 -0.020 0.000 0.750 267 E HN 0.548 nan 8.360 nan 0.000 0.452 268 E N -0.084 120.112 120.200 -0.007 0.000 2.076 268 E HA -0.027 4.323 4.350 -0.000 0.000 0.190 268 E C 0.263 176.866 176.600 0.005 0.000 0.979 268 E CA 0.808 57.205 56.400 -0.006 0.000 0.807 268 E CB 0.247 29.937 29.700 -0.016 0.000 0.761 268 E HN 0.165 nan 8.360 nan 0.000 0.454 269 A N 2.634 125.461 122.820 0.011 0.000 2.938 269 A HA 0.297 4.617 4.320 -0.000 0.000 0.344 269 A C -2.356 175.240 177.584 0.021 0.000 1.142 269 A CA -1.444 50.607 52.037 0.022 0.000 0.841 269 A CB 0.262 19.278 19.000 0.027 0.000 1.083 269 A HN -0.138 nan 8.150 nan 0.000 0.479 270 P HA 0.051 nan 4.420 nan 0.000 0.240 270 P C -0.215 177.095 177.300 0.017 0.000 1.594 270 P CA 0.877 63.986 63.100 0.016 0.000 1.184 270 P CB 0.227 31.937 31.700 0.016 0.000 1.915 271 V N 4.301 124.223 119.914 0.013 0.000 2.815 271 V HA 0.270 4.390 4.120 -0.000 0.000 0.314 271 V C 0.176 176.266 176.094 -0.008 0.000 1.064 271 V CA -1.335 60.967 62.300 0.003 0.000 0.952 271 V CB 2.636 34.462 31.823 0.005 0.000 1.020 271 V HN 0.234 nan 8.190 nan 0.000 0.439 272 L N 6.083 127.286 121.223 -0.033 0.000 2.410 272 L HA 0.387 4.727 4.340 -0.000 0.000 0.273 272 L C -0.542 176.258 176.870 -0.118 0.000 1.144 272 L CA 0.643 55.448 54.840 -0.059 0.000 0.863 272 L CB 0.869 42.882 42.059 -0.078 0.000 1.140 272 L HN 0.609 nan 8.230 nan 0.000 0.463 273 M N 4.548 124.108 119.600 -0.066 0.000 2.619 273 M HA 0.337 4.817 4.480 -0.000 0.000 0.297 273 M C -0.800 175.485 176.300 -0.027 0.000 1.229 273 M CA -0.663 54.601 55.300 -0.060 0.000 0.860 273 M CB 1.826 34.552 32.600 0.210 0.000 1.741 273 M HN 0.397 nan 8.290 nan 0.000 0.462 274 H N 1.893 120.979 119.070 0.027 0.000 2.746 274 H HA 0.441 4.997 4.556 -0.000 0.000 0.269 274 H C -1.382 173.905 175.328 -0.068 0.000 1.248 274 H CA -0.039 56.014 56.048 0.008 0.000 1.258 274 H CB -0.175 29.584 29.762 -0.005 0.000 1.441 274 H HN 0.389 nan 8.280 nan 0.000 0.508 275 Y N 2.843 123.231 120.300 0.147 0.000 2.446 275 Y HA 0.274 4.824 4.550 0.000 0.000 0.345 275 Y C -1.781 174.128 175.900 0.016 0.000 0.984 275 Y CA -2.224 55.929 58.100 0.088 0.000 1.058 275 Y CB 1.561 40.056 38.460 0.058 0.000 1.220 275 Y HN 0.453 nan 8.280 nan 0.000 0.455 276 P HA 0.067 nan 4.420 nan 0.000 0.267 276 P C -0.542 176.761 177.300 0.004 0.000 1.200 276 P CA -0.299 62.765 63.100 -0.060 0.000 0.772 276 P CB 0.706 32.254 31.700 -0.253 0.000 0.855 277 R N 1.384 121.874 120.500 -0.017 0.000 2.583 277 R HA 0.204 4.544 4.340 -0.000 0.000 0.274 277 R C 1.594 177.888 176.300 -0.010 0.000 0.998 277 R CA 1.304 57.402 56.100 -0.004 0.000 1.081 277 R CB -1.112 29.180 30.300 -0.013 0.000 0.940 277 R HN 0.953 nan 8.270 nan 0.000 0.413 278 G N 1.857 110.655 108.800 -0.003 0.000 2.201 278 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.212 278 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.212 278 G C 0.182 175.075 174.900 -0.011 0.000 0.994 278 G CA -0.437 44.658 45.100 -0.008 0.000 0.644 278 G HN 0.489 nan 8.290 nan 0.000 0.508 279 I N 3.737 124.300 120.570 -0.011 0.000 2.331 279 I HA 0.342 4.512 4.170 -0.000 0.000 0.292 279 I C -1.637 174.435 176.117 -0.074 0.000 0.998 279 I CA -2.213 59.062 61.300 -0.042 0.000 1.267 279 I CB 1.708 39.686 38.000 -0.037 0.000 1.386 279 I HN -0.041 nan 8.210 nan 0.000 0.476 280 P HA 0.248 nan 4.420 nan 0.000 0.277 280 P C -2.456 174.771 177.300 -0.123 0.000 1.240 280 P CA -1.635 61.417 63.100 -0.080 0.000 0.798 280 P CB 0.755 32.419 31.700 -0.061 0.000 0.979 281 P HA -0.209 nan 4.420 nan 0.000 0.216 281 P C 1.631 178.866 177.300 -0.110 0.000 1.154 281 P CA 1.845 64.886 63.100 -0.098 0.000 0.865 281 P CB -0.231 31.438 31.700 -0.052 0.000 0.789 282 Q N -0.883 118.866 119.800 -0.084 0.000 2.561 282 Q HA -0.007 4.333 4.340 -0.000 0.000 0.217 282 Q C 0.805 176.747 176.000 -0.096 0.000 0.980 282 Q CA 1.333 57.092 55.803 -0.072 0.000 0.927 282 Q CB -0.877 27.831 28.738 -0.050 0.000 0.980 282 Q HN 0.220 nan 8.270 nan 0.000 0.525 283 S N -0.173 115.437 115.700 -0.150 0.000 2.666 283 S HA 0.161 4.631 4.470 -0.000 0.000 0.239 283 S C -0.058 174.355 174.600 -0.311 0.000 1.031 283 S CA -0.372 57.721 58.200 -0.178 0.000 1.015 283 S CB 0.617 63.726 63.200 -0.151 0.000 0.981 283 S HN 0.340 nan 8.310 nan 0.000 0.547 284 Q N 1.023 120.589 119.800 -0.390 0.000 2.282 284 Q HA 0.560 4.900 4.340 -0.000 0.000 0.260 284 Q C -0.957 174.943 176.000 -0.167 0.000 0.964 284 Q CA -0.071 55.357 55.803 -0.626 0.000 0.880 284 Q CB 1.658 29.931 28.738 -0.775 0.000 1.286 284 Q HN 0.272 nan 8.270 nan 0.000 0.445 285 M N 1.724 121.348 119.600 0.040 0.000 2.209 285 M HA 0.462 4.942 4.480 -0.000 0.000 0.355 285 M C -0.489 175.904 176.300 0.156 0.000 1.171 285 M CA -0.562 54.800 55.300 0.103 0.000 1.069 285 M CB 1.541 34.217 32.600 0.126 0.000 1.622 285 M HN 0.689 nan 8.290 nan 0.000 0.459 286 A N 3.039 125.917 122.820 0.098 0.000 2.320 286 A HA 0.516 4.836 4.320 -0.000 0.000 0.287 286 A C 0.621 178.249 177.584 0.072 0.000 1.181 286 A CA -0.530 51.554 52.037 0.079 0.000 0.831 286 A CB 0.126 19.155 19.000 0.049 0.000 1.102 286 A HN 0.927 nan 8.150 nan 0.000 0.513 287 V N -0.558 119.382 119.914 0.042 0.000 3.359 287 V HA 0.614 4.734 4.120 -0.000 0.000 0.270 287 V C 0.946 177.006 176.094 -0.056 0.000 1.583 287 V CA 0.934 63.248 62.300 0.023 0.000 1.019 287 V CB -0.378 31.495 31.823 0.083 0.000 0.831 287 V HN 2.122 nan 8.190 nan 0.000 0.426 288 G N 0.054 108.793 108.800 -0.102 0.000 2.697 288 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.200 288 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.200 288 G C 0.155 174.907 174.900 -0.246 0.000 1.106 288 G CA 0.245 45.261 45.100 -0.140 0.000 0.748 288 G HN 0.508 nan 8.290 nan 0.000 0.503 289 Q N 1.557 121.090 119.800 -0.444 0.000 2.431 289 Q HA 0.493 4.833 4.340 -0.000 0.000 0.249 289 Q C 1.109 176.819 176.000 -0.484 0.000 1.025 289 Q CA -0.168 55.220 55.803 -0.691 0.000 0.835 289 Q CB 1.434 29.106 28.738 -1.778 0.000 1.207 289 Q HN 0.568 nan 8.270 nan 0.000 0.490 290 E N 1.506 121.519 120.200 -0.312 0.000 2.187 290 E HA -0.182 4.168 4.350 -0.000 0.000 0.199 290 E C 1.459 177.956 176.600 -0.172 0.000 1.004 290 E CA 1.087 57.311 56.400 -0.294 0.000 0.813 290 E CB -0.053 29.320 29.700 -0.544 0.000 0.736 290 E HN 0.318 nan 8.360 nan 0.000 0.468 291 V N 0.098 119.980 119.914 -0.053 0.000 2.871 291 V HA -0.127 3.993 4.120 -0.000 0.000 0.256 291 V C 1.064 177.281 176.094 0.206 0.000 1.082 291 V CA 0.788 63.172 62.300 0.139 0.000 1.105 291 V CB -0.403 31.566 31.823 0.243 0.000 0.713 291 V HN 0.200 nan 8.190 nan 0.000 0.473 292 F N 1.236 121.152 119.950 -0.056 0.000 2.449 292 F HA -0.029 4.498 4.527 -0.000 0.000 0.299 292 F C 2.254 177.965 175.800 -0.147 0.000 1.092 292 F CA 0.798 58.752 58.000 -0.077 0.000 1.446 292 F CB -1.559 37.424 39.000 -0.028 0.000 1.084 292 F HN 0.288 nan 8.300 nan 0.000 0.567 293 G N -0.330 108.416 108.800 -0.090 0.000 2.679 293 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.212 293 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.212 293 G C 1.065 175.771 174.900 -0.324 0.000 1.137 293 G CA -0.029 44.854 45.100 -0.362 0.000 0.787 293 G HN 0.340 nan 8.290 nan 0.000 0.534 294 L N 0.397 121.503 121.223 -0.194 0.000 3.064 294 L HA 0.577 4.917 4.340 -0.000 0.000 0.233 294 L C -0.491 176.171 176.870 -0.347 0.000 1.333 294 L CA -0.020 54.714 54.840 -0.178 0.000 1.140 294 L CB 0.037 42.105 42.059 0.015 0.000 1.519 294 L HN -0.012 nan 8.230 nan 0.000 0.493 295 L N -0.542 120.432 121.223 -0.415 0.000 4.490 295 L HA 0.077 4.417 4.340 -0.000 0.000 0.260 295 L C -2.061 174.381 176.870 -0.714 0.000 1.063 295 L CA -0.736 53.721 54.840 -0.638 0.000 1.242 295 L CB 2.048 43.832 42.059 -0.458 0.000 1.990 295 L HN -0.123 nan 8.230 nan 0.000 0.614 296 P HA -0.175 nan 4.420 nan 0.000 0.217 296 P C 1.446 178.406 177.300 -0.567 0.000 1.151 296 P CA 1.871 64.565 63.100 -0.678 0.000 0.849 296 P CB 0.315 31.564 31.700 -0.751 0.000 0.787 297 G N -0.524 107.699 108.800 -0.962 0.000 2.446 297 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.217 297 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.217 297 G C 1.382 175.916 174.900 -0.611 0.000 1.168 297 G CA 0.648 44.991 45.100 -1.262 0.000 0.771 297 G HN 0.144 nan 8.290 nan 0.000 0.551 298 L N -0.232 120.638 121.223 -0.588 0.000 1.976 298 L HA 0.106 4.446 4.340 -0.000 0.000 0.209 298 L C 2.753 179.446 176.870 -0.295 0.000 1.071 298 L CA 1.757 56.314 54.840 -0.472 0.000 0.746 298 L CB -0.847 40.880 42.059 -0.555 0.000 0.890 298 L HN 0.249 nan 8.230 nan 0.000 0.432 299 M N -1.402 118.068 119.600 -0.216 0.000 2.549 299 M HA -0.143 4.337 4.480 -0.000 0.000 0.260 299 M C 1.788 178.047 176.300 -0.068 0.000 1.076 299 M CA 1.183 56.441 55.300 -0.070 0.000 1.090 299 M CB -0.305 32.258 32.600 -0.062 0.000 1.418 299 M HN 0.214 nan 8.290 nan 0.000 0.486 300 L N -1.304 119.834 121.223 -0.142 0.000 2.049 300 L HA -0.182 4.158 4.340 -0.000 0.000 0.203 300 L C 1.776 178.549 176.870 -0.163 0.000 1.074 300 L CA 1.771 56.529 54.840 -0.138 0.000 0.749 300 L CB -0.708 41.256 42.059 -0.159 0.000 0.907 300 L HN 0.240 nan 8.230 nan 0.000 0.439 301 Y N 0.468 120.622 120.300 -0.243 0.000 2.274 301 Y HA -0.162 4.388 4.550 0.000 0.000 0.290 301 Y C 2.715 178.476 175.900 -0.231 0.000 1.145 301 Y CA 1.418 59.309 58.100 -0.349 0.000 1.203 301 Y CB -0.616 37.414 38.460 -0.716 0.000 0.984 301 Y HN 0.318 nan 8.280 nan 0.000 0.533 302 A N -0.875 121.950 122.820 0.007 0.000 1.972 302 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 302 A C 2.267 179.946 177.584 0.159 0.000 1.169 302 A CA 2.201 54.361 52.037 0.205 0.000 0.635 302 A CB -1.044 18.124 19.000 0.280 0.000 0.810 302 A HN 0.402 nan 8.150 nan 0.000 0.446 303 T N 0.167 114.773 114.554 0.088 0.000 2.812 303 T HA -0.015 4.335 4.350 -0.000 0.000 0.264 303 T C 1.799 176.494 174.700 -0.008 0.000 1.042 303 T CA 1.295 63.434 62.100 0.064 0.000 1.140 303 T CB -0.343 68.581 68.868 0.093 0.000 0.870 303 T HN 0.429 nan 8.240 nan 0.000 0.445 304 I N -0.567 119.957 120.570 -0.076 0.000 2.163 304 I HA -0.200 3.970 4.170 -0.000 0.000 0.243 304 I C 2.214 178.234 176.117 -0.161 0.000 1.085 304 I CA 1.552 62.737 61.300 -0.191 0.000 1.347 304 I CB -0.333 37.467 38.000 -0.333 0.000 1.044 304 I HN 0.352 nan 8.210 nan 0.000 0.408 305 W N 0.628 121.942 121.300 0.023 0.000 2.381 305 W HA -0.112 4.548 4.660 -0.000 0.000 0.301 305 W C 2.474 179.021 176.519 0.047 0.000 1.205 305 W CA 0.562 57.937 57.345 0.049 0.000 1.285 305 W CB -0.480 29.005 29.460 0.042 0.000 1.133 305 W HN 0.069 nan 8.180 nan 0.000 0.521 306 L N 0.775 122.132 121.223 0.223 0.000 2.012 306 L HA -0.276 4.064 4.340 -0.000 0.000 0.210 306 L C 2.589 179.535 176.870 0.126 0.000 1.073 306 L CA 1.811 56.744 54.840 0.154 0.000 0.748 306 L CB -0.383 41.743 42.059 0.111 0.000 0.891 306 L HN -0.066 nan 8.230 nan 0.000 0.431 307 R N -0.217 120.301 120.500 0.030 0.000 2.094 307 R HA -0.270 4.070 4.340 -0.000 0.000 0.239 307 R C 2.243 178.549 176.300 0.010 0.000 1.137 307 R CA 1.977 58.049 56.100 -0.047 0.000 0.943 307 R CB -0.430 29.800 30.300 -0.116 0.000 0.850 307 R HN 0.402 nan 8.270 nan 0.000 0.433 308 E N -0.320 119.903 120.200 0.038 0.000 2.085 308 E HA -0.261 4.089 4.350 -0.000 0.000 0.194 308 E C 1.743 178.453 176.600 0.183 0.000 0.994 308 E CA 1.987 58.433 56.400 0.076 0.000 0.801 308 E CB -0.207 29.528 29.700 0.059 0.000 0.743 308 E HN 0.522 nan 8.360 nan 0.000 0.453 309 H N -0.413 118.765 119.070 0.180 0.000 2.321 309 H HA -0.021 4.535 4.556 -0.000 0.000 0.300 309 H C 1.616 177.034 175.328 0.150 0.000 1.087 309 H CA 2.107 58.282 56.048 0.211 0.000 1.319 309 H CB -0.127 29.802 29.762 0.278 0.000 1.379 309 H HN 0.139 nan 8.280 nan 0.000 0.501 310 N N 0.245 119.076 118.700 0.220 0.000 2.244 310 N HA -0.133 4.607 4.740 -0.000 0.000 0.183 310 N C 1.951 177.470 175.510 0.014 0.000 1.016 310 N CA 0.988 54.105 53.050 0.111 0.000 0.866 310 N CB -0.336 38.189 38.487 0.063 0.000 0.980 310 N HN 0.431 nan 8.380 nan 0.000 0.430 311 R N 0.672 121.176 120.500 0.006 0.000 2.075 311 R HA -0.015 4.325 4.340 -0.000 0.000 0.232 311 R C 1.497 177.792 176.300 -0.007 0.000 1.126 311 R CA 1.015 57.108 56.100 -0.012 0.000 0.963 311 R CB -0.177 30.113 30.300 -0.017 0.000 0.858 311 R HN -0.006 nan 8.270 nan 0.000 0.435 312 V N 0.365 120.277 119.914 -0.004 0.000 2.515 312 V HA -0.265 3.855 4.120 -0.000 0.000 0.250 312 V C 2.526 178.607 176.094 -0.021 0.000 1.058 312 V CA 1.440 63.740 62.300 -0.000 0.000 1.064 312 V CB -0.399 31.439 31.823 0.025 0.000 0.675 312 V HN 0.520 nan 8.190 nan 0.000 0.461 313 C N 0.217 119.479 119.300 -0.063 0.000 2.413 313 C HA -0.182 4.278 4.460 -0.000 0.000 0.276 313 C C 2.538 177.535 174.990 0.011 0.000 1.236 313 C CA 1.111 60.115 59.018 -0.023 0.000 1.735 313 C CB -1.007 26.731 27.740 -0.003 0.000 2.031 313 C HN 0.607 nan 8.230 nan 0.000 0.474 314 D N 0.808 121.211 120.400 0.005 0.000 2.104 314 D HA -0.102 4.538 4.640 -0.000 0.000 0.194 314 D C 2.100 178.390 176.300 -0.016 0.000 0.994 314 D CA 1.055 55.056 54.000 0.001 0.000 0.830 314 D CB -0.587 40.212 40.800 -0.002 0.000 0.959 314 D HN 0.441 nan 8.370 nan 0.000 0.452 315 L N 0.073 121.288 121.223 -0.014 0.000 2.081 315 L HA -0.204 4.136 4.340 -0.000 0.000 0.212 315 L C 2.310 179.157 176.870 -0.038 0.000 1.080 315 L CA 0.562 55.389 54.840 -0.022 0.000 0.754 315 L CB -0.320 41.738 42.059 -0.002 0.000 0.893 315 L HN 0.100 nan 8.230 nan 0.000 0.433 316 L N -0.008 121.202 121.223 -0.023 0.000 2.023 316 L HA -0.159 4.181 4.340 -0.000 0.000 0.205 316 L C 2.556 179.340 176.870 -0.144 0.000 1.073 316 L CA 1.653 56.460 54.840 -0.056 0.000 0.745 316 L CB -1.005 41.058 42.059 0.007 0.000 0.900 316 L HN 0.133 nan 8.230 nan 0.000 0.435 317 K N -0.103 120.247 120.400 -0.082 0.000 2.074 317 K HA -0.198 4.122 4.320 -0.000 0.000 0.209 317 K C 2.014 178.541 176.600 -0.122 0.000 1.048 317 K CA 1.647 57.887 56.287 -0.080 0.000 0.926 317 K CB -0.303 32.197 32.500 0.000 0.000 0.713 317 K HN 0.269 nan 8.250 nan 0.000 0.444 318 A N 0.379 123.134 122.820 -0.108 0.000 1.908 318 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 318 A C 2.109 179.580 177.584 -0.188 0.000 1.181 318 A CA 2.097 54.065 52.037 -0.115 0.000 0.627 318 A CB -0.629 18.318 19.000 -0.088 0.000 0.818 318 A HN 0.512 nan 8.150 nan 0.000 0.445 319 E N -0.757 119.274 120.200 -0.281 0.000 2.158 319 E HA -0.058 4.292 4.350 -0.000 0.000 0.191 319 E C -0.117 176.015 176.600 -0.780 0.000 0.982 319 E CA 0.855 56.952 56.400 -0.505 0.000 0.823 319 E CB -0.037 29.317 29.700 -0.577 0.000 0.766 319 E HN 0.779 nan 8.360 nan 0.000 0.468 320 H N -0.659 118.110 119.070 -0.501 0.000 2.348 320 H HA 0.189 4.745 4.556 -0.000 0.000 0.232 320 H C -1.959 173.132 175.328 -0.395 0.000 1.419 320 H CA -1.633 54.018 56.048 -0.663 0.000 1.416 320 H CB 1.202 29.864 29.762 -1.834 0.000 1.510 320 H HN 0.109 nan 8.280 nan 0.000 0.507 321 P HA -0.201 nan 4.420 nan 0.000 0.218 321 P C 1.261 178.593 177.300 0.053 0.000 1.146 321 P CA 1.374 64.457 63.100 -0.028 0.000 0.813 321 P CB 0.238 31.922 31.700 -0.028 0.000 0.778 322 T N -5.810 108.801 114.554 0.095 0.000 2.995 322 T HA -0.074 4.276 4.350 -0.000 0.000 0.269 322 T C 0.663 175.560 174.700 0.328 0.000 1.091 322 T CA 0.076 62.290 62.100 0.190 0.000 1.128 322 T CB -0.652 68.342 68.868 0.209 0.000 0.891 322 T HN -0.051 nan 8.240 nan 0.000 0.492 323 W N 2.178 123.521 121.300 0.073 0.000 2.126 323 W HA 0.634 5.294 4.660 -0.000 0.000 0.346 323 W C 1.089 177.637 176.519 0.049 0.000 1.279 323 W CA -0.937 56.436 57.345 0.047 0.000 1.259 323 W CB -0.096 29.388 29.460 0.039 0.000 1.133 323 W HN 0.230 nan 8.180 nan 0.000 0.592 324 G N 0.265 109.235 108.800 0.283 0.000 2.753 324 G HA2 0.180 4.140 3.960 -0.000 0.000 0.285 324 G HA3 0.180 4.140 3.960 -0.000 0.000 0.285 324 G C 0.117 175.138 174.900 0.202 0.000 1.344 324 G CA -0.202 45.008 45.100 0.182 0.000 1.050 324 G HN 0.394 nan 8.290 nan 0.000 0.532 325 D N -0.750 119.751 120.400 0.168 0.000 2.095 325 D HA -0.146 4.494 4.640 -0.000 0.000 0.192 325 D C 2.163 178.593 176.300 0.217 0.000 0.990 325 D CA 1.535 55.654 54.000 0.198 0.000 0.836 325 D CB 0.047 40.966 40.800 0.199 0.000 0.979 325 D HN 0.292 nan 8.370 nan 0.000 0.447 326 E N 0.146 120.444 120.200 0.163 0.000 2.095 326 E HA -0.311 4.039 4.350 -0.000 0.000 0.212 326 E C 2.098 178.788 176.600 0.151 0.000 1.044 326 E CA 1.428 57.923 56.400 0.159 0.000 0.857 326 E CB -0.623 29.123 29.700 0.076 0.000 0.764 326 E HN 0.538 nan 8.360 nan 0.000 0.462 327 Q N 0.034 119.845 119.800 0.018 0.000 2.124 327 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 327 Q C 2.543 178.568 176.000 0.041 0.000 0.977 327 Q CA 0.988 56.694 55.803 -0.163 0.000 0.850 327 Q CB -0.061 28.330 28.738 -0.579 0.000 0.901 327 Q HN 0.242 nan 8.270 nan 0.000 0.429 328 L N -0.413 120.991 121.223 0.302 0.000 2.017 328 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 328 L C 2.289 179.308 176.870 0.249 0.000 1.073 328 L CA 1.336 56.416 54.840 0.400 0.000 0.745 328 L CB -0.558 41.707 42.059 0.343 0.000 0.894 328 L HN 0.300 nan 8.230 nan 0.000 0.432 329 F N 0.529 120.557 119.950 0.129 0.000 2.069 329 F HA -0.293 4.234 4.527 -0.000 0.000 0.298 329 F C 2.773 178.617 175.800 0.074 0.000 1.113 329 F CA 1.680 59.760 58.000 0.132 0.000 1.214 329 F CB -0.221 38.845 39.000 0.111 0.000 0.978 329 F HN 0.055 nan 8.300 nan 0.000 0.474 330 Q N 0.030 119.911 119.800 0.136 0.000 2.061 330 Q HA -0.167 4.173 4.340 -0.000 0.000 0.204 330 Q C 2.233 178.169 176.000 -0.106 0.000 0.984 330 Q CA 2.433 58.218 55.803 -0.030 0.000 0.846 330 Q CB -1.356 27.400 28.738 0.030 0.000 0.902 330 Q HN 0.447 nan 8.270 nan 0.000 0.421 331 T N 1.344 115.874 114.554 -0.040 0.000 2.867 331 T HA -0.050 4.300 4.350 -0.000 0.000 0.268 331 T C 1.909 176.657 174.700 0.079 0.000 1.057 331 T CA 1.198 63.315 62.100 0.029 0.000 1.136 331 T CB -0.234 68.734 68.868 0.165 0.000 0.874 331 T HN 0.393 nan 8.240 nan 0.000 0.466 332 A N 2.112 124.931 122.820 -0.001 0.000 1.877 332 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 332 A C 2.327 179.937 177.584 0.044 0.000 1.186 332 A CA 1.788 53.795 52.037 -0.049 0.000 0.620 332 A CB -0.664 18.117 19.000 -0.364 0.000 0.822 332 A HN 0.438 nan 8.150 nan 0.000 0.443 333 R N -0.275 120.158 120.500 -0.112 0.000 2.127 333 R HA -0.076 4.264 4.340 -0.000 0.000 0.238 333 R C 1.819 178.194 176.300 0.125 0.000 1.134 333 R CA 1.517 57.576 56.100 -0.068 0.000 0.975 333 R CB -0.388 29.574 30.300 -0.563 0.000 0.865 333 R HN 0.536 nan 8.270 nan 0.000 0.447 334 L N 0.258 121.562 121.223 0.135 0.000 2.156 334 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 334 L C 2.311 179.515 176.870 0.557 0.000 1.095 334 L CA 0.862 55.876 54.840 0.291 0.000 0.770 334 L CB -0.223 41.909 42.059 0.123 0.000 0.914 334 L HN 0.245 nan 8.230 nan 0.000 0.439 335 I N -0.665 120.193 120.570 0.481 0.000 2.252 335 I HA -0.270 3.900 4.170 -0.000 0.000 0.245 335 I C 2.285 178.604 176.117 0.336 0.000 1.102 335 I CA 0.987 62.535 61.300 0.412 0.000 1.385 335 I CB -0.144 38.038 38.000 0.304 0.000 1.064 335 I HN 0.183 nan 8.210 nan 0.000 0.414 336 L N 0.409 121.842 121.223 0.349 0.000 2.093 336 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 336 L C 2.333 179.377 176.870 0.291 0.000 1.085 336 L CA 1.714 56.784 54.840 0.382 0.000 0.755 336 L CB -0.523 41.793 42.059 0.428 0.000 0.904 336 L HN 0.141 nan 8.230 nan 0.000 0.435 337 I N -0.876 119.868 120.570 0.290 0.000 2.226 337 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 337 I C 2.462 178.750 176.117 0.284 0.000 1.100 337 I CA 1.503 62.955 61.300 0.253 0.000 1.374 337 I CB -0.790 37.377 38.000 0.278 0.000 1.057 337 I HN 0.345 nan 8.210 nan 0.000 0.413 338 G N -0.022 109.005 108.800 0.378 0.000 2.421 338 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.216 338 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.216 338 G C 1.506 176.586 174.900 0.299 0.000 1.171 338 G CA 0.572 45.907 45.100 0.392 0.000 0.775 338 G HN 0.388 nan 8.290 nan 0.000 0.543 339 E N -0.226 120.152 120.200 0.298 0.000 2.038 339 E HA -0.132 4.218 4.350 -0.000 0.000 0.195 339 E C 2.783 179.583 176.600 0.334 0.000 1.000 339 E CA 1.536 58.133 56.400 0.328 0.000 0.803 339 E CB -0.306 29.658 29.700 0.440 0.000 0.750 339 E HN 0.307 nan 8.360 nan 0.000 0.448 340 T N 1.493 116.242 114.554 0.325 0.000 2.635 340 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 340 T C 1.974 176.704 174.700 0.050 0.000 1.040 340 T CA 1.360 63.591 62.100 0.218 0.000 1.156 340 T CB -0.303 68.565 68.868 0.000 0.000 0.863 340 T HN 0.139 nan 8.240 nan 0.000 0.430 341 I N 0.974 121.526 120.570 -0.030 0.000 2.264 341 I HA -0.233 3.937 4.170 -0.000 0.000 0.248 341 I C 2.559 178.355 176.117 -0.536 0.000 1.111 341 I CA 1.494 62.620 61.300 -0.290 0.000 1.382 341 I CB -0.478 37.292 38.000 -0.383 0.000 1.060 341 I HN 0.265 nan 8.210 nan 0.000 0.418 342 K N 1.973 122.148 120.400 -0.375 0.000 1.985 342 K HA -0.170 4.150 4.320 -0.000 0.000 0.210 342 K C 2.198 178.782 176.600 -0.027 0.000 1.047 342 K CA 1.619 57.806 56.287 -0.166 0.000 0.932 342 K CB -0.170 32.465 32.500 0.224 0.000 0.716 342 K HN 0.180 nan 8.250 nan 0.000 0.439 343 I N 1.124 121.734 120.570 0.067 0.000 2.118 343 I HA -0.307 3.863 4.170 -0.000 0.000 0.241 343 I C 2.370 178.503 176.117 0.027 0.000 1.070 343 I CA 1.209 62.566 61.300 0.095 0.000 1.327 343 I CB -0.339 37.788 38.000 0.212 0.000 1.034 343 I HN 0.064 nan 8.210 nan 0.000 0.405 344 V N 0.850 120.714 119.914 -0.084 0.000 2.380 344 V HA -0.305 3.815 4.120 -0.000 0.000 0.251 344 V C 2.235 178.216 176.094 -0.188 0.000 1.063 344 V CA 1.728 63.838 62.300 -0.317 0.000 1.055 344 V CB -0.348 31.115 31.823 -0.600 0.000 0.657 344 V HN 0.355 nan 8.190 nan 0.000 0.455 345 I N -0.893 119.595 120.570 -0.137 0.000 2.494 345 I HA -0.039 4.131 4.170 -0.000 0.000 0.250 345 I C 2.280 178.417 176.117 0.033 0.000 1.112 345 I CA 1.260 62.523 61.300 -0.062 0.000 1.438 345 I CB -0.460 37.467 38.000 -0.123 0.000 1.111 345 I HN 0.395 nan 8.210 nan 0.000 0.431 346 E N 0.069 120.303 120.200 0.056 0.000 2.447 346 E HA -0.061 4.289 4.350 -0.000 0.000 0.195 346 E C 1.269 177.929 176.600 0.100 0.000 1.028 346 E CA 0.400 56.851 56.400 0.084 0.000 0.876 346 E CB 0.498 30.256 29.700 0.097 0.000 0.885 346 E HN 0.514 nan 8.360 nan 0.000 0.500 347 E N -0.950 119.334 120.200 0.141 0.000 2.406 347 E HA -0.021 4.329 4.350 -0.000 0.000 0.204 347 E C 1.288 178.115 176.600 0.379 0.000 0.820 347 E CA -0.105 56.425 56.400 0.217 0.000 1.136 347 E CB -0.013 29.764 29.700 0.128 0.000 1.129 347 E HN 0.062 nan 8.360 nan 0.000 0.530 348 Y N 2.194 122.572 120.300 0.130 0.000 2.133 348 Y HA -0.194 4.356 4.550 -0.000 0.000 0.287 348 Y C 2.039 177.904 175.900 -0.059 0.000 1.134 348 Y CA 1.309 59.285 58.100 -0.206 0.000 1.133 348 Y CB -0.430 37.721 38.460 -0.516 0.000 0.987 348 Y HN -0.195 nan 8.280 nan 0.000 0.502 349 V N 0.403 120.533 119.914 0.359 0.000 2.223 349 V HA -0.329 3.791 4.120 -0.000 0.000 0.244 349 V C 2.340 178.503 176.094 0.114 0.000 1.045 349 V CA 2.158 64.614 62.300 0.259 0.000 1.000 349 V CB -1.070 30.829 31.823 0.126 0.000 0.635 349 V HN 0.327 nan 8.190 nan 0.000 0.445 350 Q N 0.096 119.937 119.800 0.068 0.000 2.124 350 Q HA -0.355 3.985 4.340 -0.000 0.000 0.215 350 Q C 2.198 178.196 176.000 -0.003 0.000 1.015 350 Q CA 2.896 58.705 55.803 0.010 0.000 0.890 350 Q CB -0.598 28.174 28.738 0.057 0.000 0.966 350 Q HN 0.701 nan 8.270 nan 0.000 0.412 351 Q N -0.369 119.472 119.800 0.069 0.000 2.002 351 Q HA -0.144 4.196 4.340 -0.000 0.000 0.204 351 Q C 1.963 177.914 176.000 -0.082 0.000 0.988 351 Q CA 1.960 57.775 55.803 0.020 0.000 0.843 351 Q CB -0.679 28.126 28.738 0.112 0.000 0.908 351 Q HN 0.562 nan 8.270 nan 0.000 0.420 352 L N 0.150 121.380 121.223 0.012 0.000 1.944 352 L HA -0.293 4.047 4.340 -0.000 0.000 0.218 352 L C 2.611 179.406 176.870 -0.125 0.000 1.075 352 L CA 2.119 56.927 54.840 -0.053 0.000 0.767 352 L CB -1.059 41.121 42.059 0.203 0.000 0.890 352 L HN 0.559 nan 8.230 nan 0.000 0.434 353 S N -0.533 115.078 115.700 -0.148 0.000 2.380 353 S HA -0.248 4.222 4.470 -0.000 0.000 0.229 353 S C 1.600 176.071 174.600 -0.216 0.000 1.050 353 S CA 1.899 59.870 58.200 -0.381 0.000 1.100 353 S CB -0.936 61.632 63.200 -1.054 0.000 0.984 353 S HN 0.804 nan 8.310 nan 0.000 0.434 354 G N -1.073 107.601 108.800 -0.210 0.000 2.176 354 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.232 354 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.232 354 G C -0.013 174.762 174.900 -0.209 0.000 0.986 354 G CA 0.131 45.142 45.100 -0.149 0.000 0.643 354 G HN 0.529 nan 8.290 nan 0.000 0.522 355 Y N -0.395 119.645 120.300 -0.434 0.000 2.426 355 Y HA 0.541 5.091 4.550 0.000 0.000 0.344 355 Y C 1.500 177.058 175.900 -0.570 0.000 1.256 355 Y CA -0.908 56.808 58.100 -0.639 0.000 1.451 355 Y CB 0.049 38.203 38.460 -0.510 0.000 1.342 355 Y HN -0.016 nan 8.280 nan 0.000 0.600 356 F N 0.057 119.735 119.950 -0.453 0.000 2.698 356 F HA 0.094 4.621 4.527 -0.000 0.000 0.295 356 F C 0.696 176.232 175.800 -0.440 0.000 1.124 356 F CA -0.460 57.288 58.000 -0.420 0.000 1.426 356 F CB -0.384 38.332 39.000 -0.472 0.000 1.120 356 F HN 0.171 nan 8.300 nan 0.000 0.583 357 L N 1.800 122.696 121.223 -0.546 0.000 2.433 357 L HA 0.174 4.514 4.340 -0.000 0.000 0.275 357 L C 0.358 177.165 176.870 -0.106 0.000 1.128 357 L CA -0.418 54.189 54.840 -0.389 0.000 0.875 357 L CB 0.001 41.697 42.059 -0.605 0.000 1.171 357 L HN -0.016 nan 8.230 nan 0.000 0.463 358 Q N 4.867 124.658 119.800 -0.015 0.000 2.388 358 Q HA 0.187 4.527 4.340 -0.000 0.000 0.246 358 Q C -0.802 175.209 176.000 0.019 0.000 1.246 358 Q CA 0.481 56.294 55.803 0.017 0.000 0.895 358 Q CB -0.367 28.392 28.738 0.035 0.000 1.510 358 Q HN 0.655 nan 8.270 nan 0.000 0.503 359 L N 3.203 124.437 121.223 0.019 0.000 2.584 359 L HA 0.046 4.386 4.340 -0.000 0.000 0.272 359 L C 0.630 177.533 176.870 0.056 0.000 1.195 359 L CA 0.411 55.270 54.840 0.033 0.000 0.920 359 L CB 0.056 42.133 42.059 0.030 0.000 1.173 359 L HN 0.406 nan 8.230 nan 0.000 0.489 360 K N 3.934 124.368 120.400 0.057 0.000 2.206 360 K HA 0.322 4.642 4.320 -0.000 0.000 0.264 360 K C -0.947 175.723 176.600 0.117 0.000 0.967 360 K CA -0.702 55.626 56.287 0.068 0.000 0.844 360 K CB 1.219 33.733 32.500 0.024 0.000 1.099 360 K HN 0.314 nan 8.250 nan 0.000 0.441 361 F N 4.930 124.865 119.950 -0.025 0.000 2.350 361 F HA 0.347 4.874 4.527 -0.000 0.000 0.365 361 F C -1.128 174.627 175.800 -0.075 0.000 1.122 361 F CA -0.980 56.991 58.000 -0.048 0.000 1.139 361 F CB 0.573 39.564 39.000 -0.015 0.000 1.220 361 F HN 0.527 nan 8.300 nan 0.000 0.499 362 D N 8.152 128.313 120.400 -0.399 0.000 2.478 362 D HA 0.351 4.991 4.640 -0.000 0.000 0.240 362 D C -2.415 173.511 176.300 -0.623 0.000 1.364 362 D CA -1.973 51.679 54.000 -0.580 0.000 0.987 362 D CB 2.272 42.899 40.800 -0.288 0.000 1.328 362 D HN 0.186 nan 8.370 nan 0.000 0.584 363 P HA -0.067 nan 4.420 nan 0.000 0.221 363 P C 0.680 177.420 177.300 -0.934 0.000 1.145 363 P CA 0.897 63.487 63.100 -0.849 0.000 0.795 363 P CB 0.388 31.265 31.700 -1.370 0.000 0.775 364 E N -0.682 118.889 120.200 -1.048 0.000 2.274 364 E HA -0.053 4.297 4.350 -0.000 0.000 0.194 364 E C 1.724 177.956 176.600 -0.615 0.000 0.996 364 E CA 0.455 56.088 56.400 -1.278 0.000 0.840 364 E CB -0.466 28.815 29.700 -0.698 0.000 0.772 364 E HN 0.306 nan 8.360 nan 0.000 0.491 365 L N 0.489 121.484 121.223 -0.381 0.000 2.265 365 L HA -0.149 4.191 4.340 -0.000 0.000 0.215 365 L C 2.056 178.840 176.870 -0.144 0.000 1.117 365 L CA 0.776 55.500 54.840 -0.192 0.000 0.782 365 L CB -0.184 41.788 42.059 -0.144 0.000 0.914 365 L HN 0.212 nan 8.230 nan 0.000 0.441 366 L N -2.008 119.103 121.223 -0.187 0.000 2.554 366 L HA 0.013 4.353 4.340 -0.000 0.000 0.225 366 L C 2.114 179.102 176.870 0.198 0.000 1.104 366 L CA -0.219 54.582 54.840 -0.065 0.000 0.866 366 L CB -0.113 41.820 42.059 -0.210 0.000 1.047 366 L HN 0.117 nan 8.230 nan 0.000 0.468 367 F N 0.851 120.826 119.950 0.041 0.000 2.192 367 F HA -0.130 4.397 4.527 -0.000 0.000 0.301 367 F C 2.360 178.205 175.800 0.076 0.000 1.079 367 F CA 1.168 59.219 58.000 0.085 0.000 1.303 367 F CB -1.446 37.601 39.000 0.078 0.000 1.024 367 F HN 0.066 nan 8.300 nan 0.000 0.494 368 G N -1.015 107.922 108.800 0.228 0.000 2.494 368 G HA2 0.214 4.174 3.960 -0.000 0.000 0.216 368 G HA3 0.214 4.174 3.960 -0.000 0.000 0.216 368 G C 0.945 175.916 174.900 0.118 0.000 1.140 368 G CA 0.506 45.694 45.100 0.146 0.000 0.801 368 G HN 0.465 nan 8.290 nan 0.000 0.536 369 A N -0.180 122.710 122.820 0.117 0.000 2.327 369 A HA 0.527 4.847 4.320 -0.000 0.000 0.255 369 A C 0.179 177.838 177.584 0.126 0.000 1.099 369 A CA -0.210 51.887 52.037 0.100 0.000 0.801 369 A CB 0.262 19.306 19.000 0.073 0.000 1.062 369 A HN 0.333 nan 8.150 nan 0.000 0.496 370 Q N -0.040 119.823 119.800 0.105 0.000 2.390 370 Q HA 0.494 4.834 4.340 -0.000 0.000 0.249 370 Q C -1.616 174.463 176.000 0.132 0.000 0.996 370 Q CA 0.204 56.062 55.803 0.093 0.000 0.899 370 Q CB 0.970 29.736 28.738 0.047 0.000 1.216 370 Q HN 0.537 nan 8.270 nan 0.000 0.465 371 F N 1.250 121.149 119.950 -0.086 0.000 2.588 371 F HA 0.306 4.833 4.527 -0.000 0.000 0.310 371 F C -1.048 174.588 175.800 -0.273 0.000 1.082 371 F CA -0.809 57.063 58.000 -0.213 0.000 0.929 371 F CB 2.024 40.834 39.000 -0.316 0.000 1.254 371 F HN 0.214 nan 8.300 nan 0.000 0.455 372 Q N 4.430 123.724 119.800 -0.844 0.000 2.400 372 Q HA 0.190 4.529 4.340 -0.000 0.000 0.255 372 Q C -1.363 174.251 176.000 -0.645 0.000 1.008 372 Q CA -0.416 55.066 55.803 -0.536 0.000 0.841 372 Q CB 0.981 29.473 28.738 -0.410 0.000 1.220 372 Q HN 0.635 nan 8.270 nan 0.000 0.474 373 Y N 2.729 122.961 120.300 -0.114 0.000 2.604 373 Y HA 0.071 4.621 4.550 0.000 0.000 0.341 373 Y C 0.916 176.765 175.900 -0.084 0.000 1.249 373 Y CA 0.148 58.236 58.100 -0.022 0.000 1.926 373 Y CB -0.008 38.474 38.460 0.036 0.000 1.941 373 Y HN 0.297 nan 8.280 nan 0.000 0.426 374 R N 1.542 121.987 120.500 -0.093 0.000 2.643 374 R HA 0.447 4.787 4.340 -0.000 0.000 0.269 374 R C -1.983 174.246 176.300 -0.119 0.000 1.037 374 R CA -0.702 55.349 56.100 -0.081 0.000 0.894 374 R CB 1.639 31.886 30.300 -0.088 0.000 1.238 374 R HN 0.410 nan 8.270 nan 0.000 0.459 375 N N 1.602 120.249 118.700 -0.088 0.000 2.525 375 N HA 0.501 5.241 4.740 -0.000 0.000 0.270 375 N C -1.780 173.684 175.510 -0.076 0.000 1.321 375 N CA -0.654 52.347 53.050 -0.082 0.000 0.797 375 N CB 2.484 40.934 38.487 -0.061 0.000 1.529 375 N HN 0.611 nan 8.380 nan 0.000 0.491 376 R N 2.128 122.621 120.500 -0.013 0.000 2.542 376 R HA 0.339 4.679 4.340 -0.000 0.000 0.284 376 R C -1.150 175.314 176.300 0.272 0.000 1.167 376 R CA -0.509 55.634 56.100 0.072 0.000 1.000 376 R CB 0.305 30.558 30.300 -0.078 0.000 1.229 376 R HN 0.446 nan 8.270 nan 0.000 0.416 377 I N 3.794 124.637 120.570 0.455 0.000 2.664 377 I HA 0.172 4.342 4.170 -0.000 0.000 0.284 377 I C 0.780 177.200 176.117 0.505 0.000 1.154 377 I CA 0.258 61.799 61.300 0.401 0.000 1.402 377 I CB 0.052 38.261 38.000 0.348 0.000 1.395 377 I HN 0.710 nan 8.210 nan 0.000 0.545 378 A N 7.537 130.615 122.820 0.430 0.000 2.316 378 A HA 0.435 4.755 4.320 -0.000 0.000 0.284 378 A C 1.346 179.006 177.584 0.128 0.000 1.115 378 A CA -0.653 51.572 52.037 0.314 0.000 0.812 378 A CB 0.685 19.898 19.000 0.356 0.000 1.064 378 A HN 0.835 nan 8.150 nan 0.000 0.489 379 M N 0.565 120.160 119.600 -0.008 0.000 2.159 379 M HA -0.150 4.330 4.480 -0.000 0.000 0.263 379 M C 1.110 177.248 176.300 -0.271 0.000 1.063 379 M CA 2.353 57.481 55.300 -0.286 0.000 1.110 379 M CB -0.848 31.631 32.600 -0.202 0.000 1.374 379 M HN 0.721 nan 8.290 nan 0.000 0.411 380 E N 0.879 120.940 120.200 -0.232 0.000 2.118 380 E HA -0.158 4.192 4.350 -0.000 0.000 0.195 380 E C 1.704 178.138 176.600 -0.277 0.000 0.992 380 E CA 1.586 57.750 56.400 -0.393 0.000 0.804 380 E CB -0.460 28.944 29.700 -0.494 0.000 0.741 380 E HN 0.548 nan 8.360 nan 0.000 0.458 381 F N 1.520 121.140 119.950 -0.550 0.000 2.234 381 F HA -0.098 4.429 4.527 -0.000 0.000 0.299 381 F C 1.875 177.573 175.800 -0.170 0.000 1.087 381 F CA 1.097 58.856 58.000 -0.402 0.000 1.340 381 F CB -0.262 38.544 39.000 -0.323 0.000 1.031 381 F HN 0.049 nan 8.300 nan 0.000 0.500 382 N N -0.181 118.203 118.700 -0.526 0.000 2.270 382 N HA -0.149 4.591 4.740 -0.000 0.000 0.181 382 N C 1.642 176.757 175.510 -0.658 0.000 1.016 382 N CA 0.933 53.261 53.050 -1.204 0.000 0.870 382 N CB 0.036 37.934 38.487 -0.981 0.000 0.979 382 N HN 0.438 nan 8.380 nan 0.000 0.431 383 Q N 1.011 120.655 119.800 -0.259 0.000 1.946 383 Q HA -0.100 4.240 4.340 -0.000 0.000 0.199 383 Q C 2.336 178.424 176.000 0.147 0.000 0.979 383 Q CA 0.772 56.593 55.803 0.030 0.000 0.834 383 Q CB -0.664 28.133 28.738 0.099 0.000 0.899 383 Q HN 0.390 nan 8.270 nan 0.000 0.431 384 L N -0.204 121.113 121.223 0.157 0.000 2.357 384 L HA -0.192 4.148 4.340 -0.000 0.000 0.220 384 L C 1.590 178.521 176.870 0.103 0.000 1.123 384 L CA 1.351 56.270 54.840 0.132 0.000 0.782 384 L CB -0.184 41.935 42.059 0.100 0.000 0.910 384 L HN 0.136 nan 8.230 nan 0.000 0.442 385 Y N -0.714 119.463 120.300 -0.204 0.000 2.457 385 Y HA 0.135 4.685 4.550 0.000 0.000 0.263 385 Y C 0.781 176.339 175.900 -0.571 0.000 1.164 385 Y CA -0.482 57.298 58.100 -0.533 0.000 1.274 385 Y CB -0.338 37.706 38.460 -0.694 0.000 1.097 385 Y HN 0.304 nan 8.280 nan 0.000 0.523 386 H N -0.443 118.628 119.070 0.002 0.000 3.792 386 H HA -0.028 4.528 4.556 -0.000 0.000 0.216 386 H C -0.368 175.159 175.328 0.331 0.000 1.525 386 H CA -0.128 55.981 56.048 0.102 0.000 1.309 386 H CB -0.646 29.191 29.762 0.126 0.000 1.540 386 H HN 0.148 nan 8.280 nan 0.000 0.711 387 W N 0.846 122.239 121.300 0.155 0.000 1.224 387 W HA 0.029 4.689 4.660 -0.000 0.000 0.503 387 W C 0.339 176.854 176.519 -0.008 0.000 0.592 387 W CA -0.421 56.999 57.345 0.124 0.000 2.414 387 W CB -1.562 28.007 29.460 0.181 0.000 1.352 387 W HN 0.610 nan 8.180 nan 0.000 0.226 388 H N 0.435 119.729 119.070 0.374 0.000 2.521 388 H HA -0.063 4.493 4.556 -0.000 0.000 0.286 388 H C -0.543 174.903 175.328 0.197 0.000 1.034 388 H CA 1.073 57.276 56.048 0.258 0.000 1.278 388 H CB -0.991 28.897 29.762 0.211 0.000 1.386 388 H HN 0.106 nan 8.280 nan 0.000 0.567 389 P HA -0.119 nan 4.420 nan 0.000 0.222 389 P C 1.227 178.570 177.300 0.071 0.000 1.147 389 P CA 0.880 64.049 63.100 0.114 0.000 0.790 389 P CB 0.116 31.836 31.700 0.034 0.000 0.780 390 L N -2.158 119.124 121.223 0.098 0.000 2.042 390 L HA -0.135 4.205 4.340 -0.000 0.000 0.210 390 L C 1.100 178.014 176.870 0.073 0.000 1.076 390 L CA 0.828 55.702 54.840 0.055 0.000 0.749 390 L CB -0.638 41.492 42.059 0.120 0.000 0.893 390 L HN 0.073 nan 8.230 nan 0.000 0.432 391 M N 0.739 120.415 119.600 0.127 0.000 2.248 391 M HA 0.037 4.517 4.480 -0.000 0.000 0.343 391 M C -1.765 174.638 176.300 0.172 0.000 1.243 391 M CA -1.884 53.511 55.300 0.159 0.000 1.025 391 M CB -0.649 32.149 32.600 0.330 0.000 1.759 391 M HN -0.091 nan 8.290 nan 0.000 0.452 392 P HA 0.188 nan 4.420 nan 0.000 0.312 392 P C -0.213 177.024 177.300 -0.106 0.000 1.308 392 P CA -0.148 62.915 63.100 -0.061 0.000 0.743 392 P CB 0.961 32.415 31.700 -0.411 0.000 1.364 393 D N -1.658 118.598 120.400 -0.240 0.000 2.240 393 D HA 0.033 4.673 4.640 -0.000 0.000 0.206 393 D C 0.736 176.946 176.300 -0.150 0.000 0.963 393 D CA 1.098 55.061 54.000 -0.062 0.000 0.863 393 D CB 0.127 40.869 40.800 -0.097 0.000 0.973 393 D HN 0.445 nan 8.370 nan 0.000 0.501 394 S N -0.921 114.472 115.700 -0.512 0.000 2.596 394 S HA 0.609 5.079 4.470 -0.000 0.000 0.270 394 S C -1.230 172.820 174.600 -0.917 0.000 1.155 394 S CA -0.970 56.889 58.200 -0.568 0.000 0.827 394 S CB 1.166 64.222 63.200 -0.240 0.000 1.130 394 S HN -0.103 nan 8.310 nan 0.000 0.467 395 F N 1.025 120.787 119.950 -0.312 0.000 2.347 395 F HA 0.552 5.079 4.527 0.000 0.000 0.366 395 F C 0.652 176.400 175.800 -0.087 0.000 1.107 395 F CA -0.642 57.156 58.000 -0.336 0.000 1.058 395 F CB 1.446 39.947 39.000 -0.832 0.000 1.236 395 F HN 0.565 nan 8.300 nan 0.000 0.456 396 R N 2.844 123.377 120.500 0.054 0.000 2.216 396 R HA 0.580 4.920 4.340 -0.000 0.000 0.332 396 R C -1.363 175.012 176.300 0.124 0.000 1.056 396 R CA -0.227 55.912 56.100 0.066 0.000 0.901 396 R CB 0.768 31.062 30.300 -0.011 0.000 1.039 396 R HN 0.523 nan 8.270 nan 0.000 0.456 397 V N 6.162 126.156 119.914 0.133 0.000 2.235 397 V HA 0.377 4.497 4.120 -0.000 0.000 0.266 397 V C 0.936 177.092 176.094 0.103 0.000 1.055 397 V CA 0.320 62.655 62.300 0.059 0.000 0.844 397 V CB 0.225 31.995 31.823 -0.088 0.000 1.097 397 V HN 1.182 nan 8.190 nan 0.000 0.453 398 G N 6.336 115.179 108.800 0.071 0.000 2.514 398 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.265 398 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.265 398 G C -0.892 174.033 174.900 0.041 0.000 1.150 398 G CA 0.263 45.407 45.100 0.072 0.000 0.959 398 G HN 0.504 nan 8.290 nan 0.000 0.556 399 P HA 0.108 nan 4.420 nan 0.000 0.225 399 P C 0.510 177.793 177.300 -0.029 0.000 1.156 399 P CA 0.873 63.975 63.100 0.005 0.000 0.787 399 P CB 0.109 31.815 31.700 0.011 0.000 0.802 400 Q N 1.252 121.038 119.800 -0.023 0.000 2.304 400 Q HA 0.157 4.497 4.340 -0.000 0.000 0.260 400 Q C -0.119 175.748 176.000 -0.223 0.000 0.965 400 Q CA 0.759 56.460 55.803 -0.170 0.000 0.898 400 Q CB 0.318 28.973 28.738 -0.139 0.000 1.196 400 Q HN 0.167 nan 8.270 nan 0.000 0.402 401 D N 3.402 123.612 120.400 -0.317 0.000 2.440 401 D HA 0.163 4.803 4.640 -0.000 0.000 0.252 401 D C -1.115 175.043 176.300 -0.235 0.000 1.180 401 D CA -0.441 53.443 54.000 -0.193 0.000 0.894 401 D CB 0.359 41.087 40.800 -0.120 0.000 1.111 401 D HN 0.321 nan 8.370 nan 0.000 0.544 402 Y N 1.060 121.386 120.300 0.043 0.000 2.299 402 Y HA 0.192 4.742 4.550 -0.000 0.000 0.326 402 Y C 1.500 177.445 175.900 0.076 0.000 1.164 402 Y CA -0.444 57.710 58.100 0.090 0.000 1.234 402 Y CB 1.317 39.868 38.460 0.153 0.000 1.219 402 Y HN 0.232 nan 8.280 nan 0.000 0.497 403 S N 0.991 116.856 115.700 0.274 0.000 2.669 403 S HA 0.173 4.643 4.470 -0.000 0.000 0.270 403 S C 0.594 175.346 174.600 0.255 0.000 1.225 403 S CA -0.548 57.780 58.200 0.214 0.000 0.991 403 S CB 0.424 63.753 63.200 0.216 0.000 0.987 403 S HN 0.638 nan 8.310 nan 0.000 0.552 404 Y N 1.540 121.872 120.300 0.055 0.000 2.128 404 Y HA -0.125 4.425 4.550 -0.000 0.000 0.284 404 Y C 2.697 178.652 175.900 0.091 0.000 1.154 404 Y CA 2.147 60.263 58.100 0.026 0.000 1.149 404 Y CB -0.389 37.734 38.460 -0.561 0.000 0.976 404 Y HN 0.738 nan 8.280 nan 0.000 0.505 405 E N 0.158 120.524 120.200 0.276 0.000 2.333 405 E HA -0.221 4.129 4.350 -0.000 0.000 0.198 405 E C 1.346 178.087 176.600 0.234 0.000 1.007 405 E CA 1.234 57.789 56.400 0.260 0.000 0.845 405 E CB -0.500 29.355 29.700 0.258 0.000 0.766 405 E HN 0.671 nan 8.360 nan 0.000 0.507 406 Q N -1.079 118.872 119.800 0.252 0.000 2.391 406 Q HA 0.117 4.457 4.340 -0.000 0.000 0.211 406 Q C 1.430 177.539 176.000 0.182 0.000 0.908 406 Q CA 0.080 56.031 55.803 0.248 0.000 0.920 406 Q CB 0.085 29.044 28.738 0.369 0.000 1.056 406 Q HN 0.150 nan 8.270 nan 0.000 0.523 407 F N 1.114 121.034 119.950 -0.050 0.000 2.123 407 F HA -0.072 4.455 4.527 -0.000 0.000 0.289 407 F C 1.695 177.310 175.800 -0.308 0.000 1.099 407 F CA 0.469 58.314 58.000 -0.258 0.000 1.234 407 F CB -0.285 38.442 39.000 -0.454 0.000 1.034 407 F HN -0.078 nan 8.300 nan 0.000 0.479 408 L N -0.299 120.800 121.223 -0.208 0.000 2.095 408 L HA -0.299 4.041 4.340 -0.000 0.000 0.229 408 L C 1.271 177.529 176.870 -1.020 0.000 1.097 408 L CA 2.169 56.629 54.840 -0.634 0.000 0.813 408 L CB -1.223 40.447 42.059 -0.649 0.000 0.907 408 L HN 0.158 nan 8.230 nan 0.000 0.445 409 F N -2.193 117.727 119.950 -0.050 0.000 2.835 409 F HA 0.289 4.816 4.527 -0.000 0.000 0.342 409 F C 0.812 176.592 175.800 -0.034 0.000 1.202 409 F CA -0.927 57.050 58.000 -0.038 0.000 1.240 409 F CB -0.524 38.493 39.000 0.029 0.000 1.005 409 F HN -0.064 nan 8.300 nan 0.000 0.507 410 N N 1.860 120.519 118.700 -0.067 0.000 2.454 410 N HA -0.054 4.686 4.740 -0.000 0.000 0.285 410 N C 1.378 176.846 175.510 -0.070 0.000 1.233 410 N CA 0.558 53.561 53.050 -0.078 0.000 1.036 410 N CB 0.659 39.031 38.487 -0.191 0.000 1.423 410 N HN 0.375 nan 8.380 nan 0.000 0.495 411 T N -1.227 113.343 114.554 0.027 0.000 2.977 411 T HA -0.141 4.209 4.350 -0.000 0.000 0.271 411 T C 1.668 176.341 174.700 -0.046 0.000 1.105 411 T CA 1.395 63.511 62.100 0.028 0.000 1.116 411 T CB -0.060 68.833 68.868 0.041 0.000 0.878 411 T HN 0.408 nan 8.240 nan 0.000 0.509 412 S N 0.150 115.818 115.700 -0.053 0.000 2.497 412 S HA 0.248 4.718 4.470 -0.000 0.000 0.218 412 S C 1.954 176.517 174.600 -0.063 0.000 1.023 412 S CA 0.077 58.240 58.200 -0.063 0.000 0.913 412 S CB -0.414 62.767 63.200 -0.031 0.000 0.800 412 S HN 0.388 nan 8.310 nan 0.000 0.505 413 M N 0.952 120.504 119.600 -0.080 0.000 2.144 413 M HA -0.058 4.422 4.480 -0.000 0.000 0.260 413 M C 1.966 178.266 176.300 -0.001 0.000 1.067 413 M CA 1.565 56.842 55.300 -0.040 0.000 1.095 413 M CB -0.261 32.221 32.600 -0.196 0.000 1.365 413 M HN 0.488 nan 8.290 nan 0.000 0.406 414 L N -0.310 120.851 121.223 -0.102 0.000 2.044 414 L HA -0.083 4.257 4.340 -0.000 0.000 0.205 414 L C 1.999 178.802 176.870 -0.112 0.000 1.075 414 L CA 1.315 56.097 54.840 -0.097 0.000 0.747 414 L CB -0.427 41.547 42.059 -0.142 0.000 0.903 414 L HN 0.118 nan 8.230 nan 0.000 0.435 415 V N -0.035 119.727 119.914 -0.253 0.000 2.515 415 V HA -0.221 3.899 4.120 -0.000 0.000 0.250 415 V C 2.195 178.231 176.094 -0.096 0.000 1.058 415 V CA 1.650 63.748 62.300 -0.336 0.000 1.064 415 V CB -0.849 30.730 31.823 -0.407 0.000 0.675 415 V HN 0.458 nan 8.190 nan 0.000 0.461 416 D N -0.464 119.907 120.400 -0.048 0.000 2.078 416 D HA -0.167 4.473 4.640 -0.000 0.000 0.193 416 D C 2.071 178.335 176.300 -0.059 0.000 0.990 416 D CA 1.810 55.783 54.000 -0.046 0.000 0.827 416 D CB -0.249 40.540 40.800 -0.017 0.000 0.975 416 D HN 0.521 nan 8.370 nan 0.000 0.451 417 Y N 0.286 120.563 120.300 -0.039 0.000 2.365 417 Y HA 0.225 4.775 4.550 0.000 0.000 0.293 417 Y C 1.529 177.419 175.900 -0.016 0.000 1.119 417 Y CA 0.843 58.927 58.100 -0.026 0.000 1.203 417 Y CB 0.019 38.451 38.460 -0.047 0.000 1.026 417 Y HN 0.046 nan 8.280 nan 0.000 0.549 418 G N -0.412 108.483 108.800 0.159 0.000 2.731 418 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.686 418 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.686 418 G C 0.575 175.520 174.900 0.075 0.000 1.395 418 G CA -0.434 44.757 45.100 0.151 0.000 0.870 418 G HN 0.079 nan 8.290 nan 0.000 0.591 419 V N 1.724 121.669 119.914 0.052 0.000 2.222 419 V HA -0.309 3.811 4.120 -0.000 0.000 0.252 419 V C 2.764 178.806 176.094 -0.087 0.000 1.060 419 V CA 3.358 65.631 62.300 -0.045 0.000 1.027 419 V CB -0.995 30.779 31.823 -0.081 0.000 0.644 419 V HN 0.922 nan 8.190 nan 0.000 0.448 420 E N 0.426 120.589 120.200 -0.061 0.000 2.065 420 E HA -0.272 4.078 4.350 -0.000 0.000 0.201 420 E C 2.250 178.815 176.600 -0.058 0.000 1.016 420 E CA 1.819 58.183 56.400 -0.060 0.000 0.818 420 E CB -0.697 28.983 29.700 -0.035 0.000 0.749 420 E HN 0.624 nan 8.360 nan 0.000 0.453 421 A N 0.758 123.566 122.820 -0.020 0.000 1.873 421 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 421 A C 2.282 179.779 177.584 -0.145 0.000 1.193 421 A CA 1.660 53.700 52.037 0.006 0.000 0.629 421 A CB -0.873 18.231 19.000 0.173 0.000 0.826 421 A HN 0.200 nan 8.150 nan 0.000 0.447 422 L N -0.657 120.404 121.223 -0.270 0.000 2.056 422 L HA -0.143 4.197 4.340 -0.000 0.000 0.207 422 L C 2.509 178.984 176.870 -0.659 0.000 1.078 422 L CA 0.965 55.407 54.840 -0.663 0.000 0.749 422 L CB -0.547 41.129 42.059 -0.638 0.000 0.901 422 L HN 0.249 nan 8.230 nan 0.000 0.433 423 V N -0.178 119.543 119.914 -0.322 0.000 2.407 423 V HA -0.312 3.808 4.120 -0.000 0.000 0.248 423 V C 2.288 178.344 176.094 -0.063 0.000 1.055 423 V CA 2.023 64.219 62.300 -0.173 0.000 1.049 423 V CB -0.484 31.253 31.823 -0.143 0.000 0.662 423 V HN 0.544 nan 8.190 nan 0.000 0.455 424 D N -0.007 120.358 120.400 -0.058 0.000 2.123 424 D HA -0.109 4.531 4.640 -0.000 0.000 0.200 424 D C 2.189 178.536 176.300 0.078 0.000 0.976 424 D CA 1.426 55.463 54.000 0.061 0.000 0.831 424 D CB 0.274 41.103 40.800 0.048 0.000 0.974 424 D HN 0.389 nan 8.370 nan 0.000 0.469 425 A N 0.621 123.408 122.820 -0.054 0.000 1.851 425 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 425 A C 2.038 179.740 177.584 0.196 0.000 1.195 425 A CA 1.288 53.315 52.037 -0.018 0.000 0.622 425 A CB -1.154 17.725 19.000 -0.202 0.000 0.831 425 A HN 0.233 nan 8.150 nan 0.000 0.444 426 F N 0.849 120.894 119.950 0.159 0.000 2.216 426 F HA -0.056 4.471 4.527 0.000 0.000 0.300 426 F C 2.691 178.623 175.800 0.220 0.000 1.085 426 F CA 0.865 58.996 58.000 0.218 0.000 1.326 426 F CB -1.240 37.955 39.000 0.324 0.000 1.027 426 F HN 0.121 nan 8.300 nan 0.000 0.497 427 S N -0.464 115.471 115.700 0.392 0.000 2.481 427 S HA -0.062 4.408 4.470 -0.000 0.000 0.231 427 S C 2.000 176.868 174.600 0.447 0.000 0.996 427 S CA 0.636 59.080 58.200 0.407 0.000 0.942 427 S CB -0.089 63.328 63.200 0.360 0.000 0.768 427 S HN 0.379 nan 8.310 nan 0.000 0.520 428 R N 0.458 121.134 120.500 0.295 0.000 2.206 428 R HA 0.185 4.525 4.340 -0.000 0.000 0.198 428 R C 0.978 177.347 176.300 0.115 0.000 0.986 428 R CA 0.080 56.267 56.100 0.144 0.000 1.029 428 R CB 0.145 30.474 30.300 0.049 0.000 0.966 428 R HN 0.348 nan 8.270 nan 0.000 0.487 429 Q N 3.066 122.956 119.800 0.149 0.000 2.314 429 Q HA 0.200 4.540 4.340 -0.000 0.000 0.257 429 Q C -2.279 173.768 176.000 0.079 0.000 0.975 429 Q CA -2.354 53.503 55.803 0.089 0.000 0.933 429 Q CB 1.230 30.020 28.738 0.088 0.000 1.195 429 Q HN -0.087 nan 8.270 nan 0.000 0.426 430 P HA 0.023 nan 4.420 nan 0.000 0.269 430 P C -1.264 176.095 177.300 0.098 0.000 1.209 430 P CA 0.064 63.202 63.100 0.063 0.000 0.776 430 P CB 0.985 32.736 31.700 0.085 0.000 0.876 431 A N 2.734 125.580 122.820 0.043 0.000 2.294 431 A HA 0.687 5.007 4.320 -0.000 0.000 0.330 431 A C 0.572 178.158 177.584 0.003 0.000 1.133 431 A CA -0.419 51.643 52.037 0.042 0.000 0.836 431 A CB 0.540 19.496 19.000 -0.072 0.000 1.190 431 A HN 0.572 nan 8.150 nan 0.000 0.492 432 G N -0.051 108.715 108.800 -0.057 0.000 2.476 432 G HA2 0.462 4.422 3.960 -0.000 0.000 0.269 432 G HA3 0.462 4.422 3.960 -0.000 0.000 0.269 432 G C 0.297 174.987 174.900 -0.350 0.000 1.195 432 G CA -0.569 44.265 45.100 -0.444 0.000 0.843 432 G HN 0.987 nan 8.290 nan 0.000 0.545 433 R N 0.825 121.087 120.500 -0.397 0.000 2.697 433 R HA 0.039 4.379 4.340 -0.000 0.000 0.265 433 R C 0.908 177.040 176.300 -0.280 0.000 1.009 433 R CA 0.156 56.059 56.100 -0.329 0.000 1.099 433 R CB 0.155 30.284 30.300 -0.285 0.000 0.965 433 R HN 0.513 nan 8.270 nan 0.000 0.428 434 I N 1.978 122.365 120.570 -0.304 0.000 2.927 434 I HA 0.152 4.322 4.170 -0.000 0.000 0.268 434 I C 1.375 177.399 176.117 -0.155 0.000 1.153 434 I CA 0.474 61.632 61.300 -0.237 0.000 1.459 434 I CB -0.064 37.705 38.000 -0.386 0.000 1.149 434 I HN 0.704 nan 8.210 nan 0.000 0.443 435 G N -0.475 108.244 108.800 -0.134 0.000 2.488 435 G HA2 0.477 4.437 3.960 -0.000 0.000 0.318 435 G HA3 0.477 4.437 3.960 -0.000 0.000 0.318 435 G C 0.680 175.498 174.900 -0.135 0.000 1.188 435 G CA 0.325 45.356 45.100 -0.115 0.000 0.944 435 G HN 0.393 nan 8.290 nan 0.000 0.495 436 G N -1.564 107.155 108.800 -0.135 0.000 2.436 436 G HA2 0.429 4.389 3.960 -0.000 0.000 0.204 436 G HA3 0.429 4.389 3.960 -0.000 0.000 0.204 436 G C 1.022 175.864 174.900 -0.098 0.000 1.026 436 G CA 0.870 45.899 45.100 -0.118 0.000 0.658 436 G HN 2.830 nan 8.290 nan 0.000 0.499 437 G N -0.528 108.216 108.800 -0.094 0.000 2.587 437 G HA2 0.445 4.405 3.960 -0.000 0.000 0.686 437 G HA3 0.445 4.405 3.960 -0.000 0.000 0.686 437 G C 0.142 175.015 174.900 -0.045 0.000 1.236 437 G CA 0.285 45.354 45.100 -0.052 0.000 0.820 437 G HN 1.683 nan 8.290 nan 0.000 0.645 438 R N -0.782 119.707 120.500 -0.019 0.000 3.225 438 R HA -0.236 4.104 4.340 -0.000 0.000 0.245 438 R C 0.567 176.844 176.300 -0.038 0.000 0.928 438 R CA 1.124 57.207 56.100 -0.029 0.000 0.632 438 R CB -1.111 29.162 30.300 -0.044 0.000 1.038 438 R HN 0.644 nan 8.270 nan 0.000 0.461 439 N N 0.016 118.694 118.700 -0.037 0.000 2.184 439 N HA 0.238 4.978 4.740 -0.000 0.000 0.234 439 N C -0.614 174.896 175.510 0.000 0.000 1.282 439 N CA -0.190 52.828 53.050 -0.054 0.000 0.877 439 N CB 0.844 39.251 38.487 -0.135 0.000 1.184 439 N HN 0.293 nan 8.380 nan 0.000 0.510 440 I N 1.012 121.606 120.570 0.040 0.000 2.312 440 I HA 0.101 4.271 4.170 -0.000 0.000 0.291 440 I C 0.290 176.462 176.117 0.092 0.000 1.031 440 I CA -0.645 60.707 61.300 0.087 0.000 1.293 440 I CB 0.720 38.782 38.000 0.102 0.000 1.403 440 I HN 0.112 nan 8.210 nan 0.000 0.484 441 D N 6.009 126.475 120.400 0.110 0.000 2.525 441 D HA -0.132 4.508 4.640 -0.000 0.000 0.235 441 D C 1.390 177.692 176.300 0.003 0.000 1.137 441 D CA 0.225 54.269 54.000 0.073 0.000 0.868 441 D CB 0.801 41.630 40.800 0.049 0.000 1.180 441 D HN 0.693 nan 8.370 nan 0.000 0.465 442 H N 3.147 122.195 119.070 -0.036 0.000 2.394 442 H HA -0.196 4.360 4.556 -0.000 0.000 0.297 442 H C 1.521 176.785 175.328 -0.106 0.000 1.113 442 H CA 1.863 57.857 56.048 -0.089 0.000 1.277 442 H CB -0.329 29.343 29.762 -0.150 0.000 1.370 442 H HN 0.528 nan 8.280 nan 0.000 0.506 443 H N 0.797 119.457 119.070 -0.684 0.000 2.426 443 H HA -0.084 4.472 4.556 -0.000 0.000 0.298 443 H C 1.841 177.111 175.328 -0.096 0.000 1.107 443 H CA 1.826 57.577 56.048 -0.495 0.000 1.298 443 H CB 0.175 29.364 29.762 -0.954 0.000 1.377 443 H HN 0.714 nan 8.280 nan 0.000 0.519 444 I N -1.974 118.629 120.570 0.055 0.000 4.147 444 I HA 0.092 4.262 4.170 -0.000 0.000 0.329 444 I C 1.677 177.760 176.117 -0.056 0.000 1.424 444 I CA -0.028 61.321 61.300 0.081 0.000 1.127 444 I CB -0.006 38.042 38.000 0.080 0.000 1.128 444 I HN -0.080 nan 8.210 nan 0.000 0.417 445 L N 2.645 123.899 121.223 0.051 0.000 2.349 445 L HA -0.211 4.129 4.340 -0.000 0.000 0.220 445 L C 2.799 179.673 176.870 0.006 0.000 1.130 445 L CA 1.934 56.793 54.840 0.032 0.000 0.791 445 L CB -0.722 41.379 42.059 0.071 0.000 0.918 445 L HN 0.506 nan 8.230 nan 0.000 0.444 446 H N -2.471 116.590 119.070 -0.015 0.000 2.389 446 H HA -0.079 4.477 4.556 -0.000 0.000 0.299 446 H C 2.044 177.333 175.328 -0.065 0.000 1.081 446 H CA 1.650 57.684 56.048 -0.023 0.000 1.345 446 H CB -1.144 28.611 29.762 -0.011 0.000 1.393 446 H HN 0.306 nan 8.280 nan 0.000 0.520 447 V N 2.031 121.475 119.914 -0.783 0.000 2.332 447 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 447 V C 3.206 179.066 176.094 -0.390 0.000 1.055 447 V CA 1.916 63.834 62.300 -0.636 0.000 1.038 447 V CB -1.189 30.117 31.823 -0.861 0.000 0.651 447 V HN 0.668 nan 8.190 nan 0.000 0.450 448 A N -0.430 122.247 122.820 -0.238 0.000 1.969 448 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 448 A C 2.378 179.914 177.584 -0.081 0.000 1.169 448 A CA 1.793 53.779 52.037 -0.086 0.000 0.635 448 A CB -0.545 18.541 19.000 0.143 0.000 0.810 448 A HN 0.346 nan 8.150 nan 0.000 0.445 449 V N 0.721 120.604 119.914 -0.051 0.000 2.261 449 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 449 V C 2.189 178.248 176.094 -0.060 0.000 1.047 449 V CA 2.289 64.583 62.300 -0.010 0.000 1.015 449 V CB -0.791 31.051 31.823 0.031 0.000 0.642 449 V HN 0.509 nan 8.190 nan 0.000 0.446 450 D N 0.112 120.451 120.400 -0.101 0.000 2.123 450 D HA -0.148 4.492 4.640 -0.000 0.000 0.196 450 D C 2.194 178.371 176.300 -0.205 0.000 0.992 450 D CA 1.401 55.329 54.000 -0.120 0.000 0.833 450 D CB -0.405 40.324 40.800 -0.118 0.000 0.954 450 D HN 0.326 nan 8.370 nan 0.000 0.455 451 V N 1.260 120.959 119.914 -0.359 0.000 2.332 451 V HA -0.234 3.886 4.120 -0.000 0.000 0.248 451 V C 2.523 178.416 176.094 -0.335 0.000 1.055 451 V CA 1.200 63.184 62.300 -0.528 0.000 1.038 451 V CB -0.368 30.849 31.823 -1.009 0.000 0.651 451 V HN 0.175 nan 8.190 nan 0.000 0.450 452 I N -0.502 119.948 120.570 -0.200 0.000 2.315 452 I HA -0.236 3.934 4.170 -0.000 0.000 0.248 452 I C 2.477 178.585 176.117 -0.015 0.000 1.117 452 I CA 1.564 62.846 61.300 -0.029 0.000 1.404 452 I CB -0.391 37.655 38.000 0.076 0.000 1.071 452 I HN 0.260 nan 8.210 nan 0.000 0.419 453 K N 0.506 120.884 120.400 -0.036 0.000 2.057 453 K HA -0.231 4.089 4.320 -0.000 0.000 0.206 453 K C 2.071 178.655 176.600 -0.026 0.000 1.050 453 K CA 1.543 57.822 56.287 -0.015 0.000 0.935 453 K CB -0.224 32.269 32.500 -0.013 0.000 0.715 453 K HN 0.320 nan 8.250 nan 0.000 0.439 454 E N 1.069 121.229 120.200 -0.068 0.000 2.110 454 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 454 E C 2.074 178.640 176.600 -0.056 0.000 0.988 454 E CA 1.364 57.723 56.400 -0.069 0.000 0.804 454 E CB -0.020 29.610 29.700 -0.118 0.000 0.745 454 E HN 0.193 nan 8.360 nan 0.000 0.458 455 S N 0.328 115.993 115.700 -0.059 0.000 2.374 455 S HA -0.241 4.229 4.470 -0.000 0.000 0.227 455 S C 1.985 176.594 174.600 0.015 0.000 1.037 455 S CA 1.612 59.800 58.200 -0.019 0.000 1.024 455 S CB -0.292 62.927 63.200 0.032 0.000 0.861 455 S HN 0.321 nan 8.310 nan 0.000 0.456 456 R N -0.039 120.477 120.500 0.027 0.000 2.090 456 R HA 0.057 4.397 4.340 -0.000 0.000 0.228 456 R C 2.361 178.678 176.300 0.029 0.000 1.110 456 R CA 1.313 57.439 56.100 0.043 0.000 0.973 456 R CB -0.580 29.752 30.300 0.053 0.000 0.869 456 R HN 0.350 nan 8.270 nan 0.000 0.440 457 V N 1.176 121.099 119.914 0.014 0.000 2.343 457 V HA -0.199 3.921 4.120 -0.000 0.000 0.247 457 V C 1.952 178.052 176.094 0.011 0.000 1.051 457 V CA 1.403 63.712 62.300 0.015 0.000 1.036 457 V CB -0.327 31.502 31.823 0.009 0.000 0.654 457 V HN 0.186 nan 8.190 nan 0.000 0.451 458 L N -0.196 121.024 121.223 -0.004 0.000 2.456 458 L HA 0.059 4.399 4.340 -0.000 0.000 0.224 458 L C 1.416 178.287 176.870 0.001 0.000 1.148 458 L CA 1.053 55.884 54.840 -0.014 0.000 0.825 458 L CB -1.168 40.866 42.059 -0.043 0.000 0.937 458 L HN 0.387 nan 8.230 nan 0.000 0.450 459 R N -0.843 119.668 120.500 0.018 0.000 3.333 459 R HA -0.193 4.147 4.340 -0.000 0.000 0.256 459 R C -0.207 176.117 176.300 0.040 0.000 1.010 459 R CA -0.101 56.020 56.100 0.035 0.000 0.680 459 R CB -1.815 28.504 30.300 0.031 0.000 1.102 459 R HN 0.095 nan 8.270 nan 0.000 0.440 460 L N 1.312 122.560 121.223 0.042 0.000 2.506 460 L HA 0.006 4.346 4.340 -0.000 0.000 0.281 460 L C 1.499 178.439 176.870 0.116 0.000 1.228 460 L CA 1.089 55.966 54.840 0.061 0.000 0.850 460 L CB 0.351 42.418 42.059 0.014 0.000 1.110 460 L HN 0.316 nan 8.230 nan 0.000 0.496 461 Q N 2.986 122.869 119.800 0.138 0.000 2.407 461 Q HA 0.232 4.572 4.340 -0.000 0.000 0.214 461 Q C -2.057 174.054 176.000 0.186 0.000 1.043 461 Q CA -1.477 54.349 55.803 0.038 0.000 0.983 461 Q CB 0.364 28.911 28.738 -0.318 0.000 1.211 461 Q HN 0.439 nan 8.270 nan 0.000 0.564 462 P HA -0.071 nan 4.420 nan 0.000 0.272 462 P C -0.288 177.217 177.300 0.343 0.000 1.223 462 P CA 0.074 63.307 63.100 0.223 0.000 0.784 462 P CB 0.343 32.147 31.700 0.173 0.000 0.923 463 F N 2.807 122.901 119.950 0.240 0.000 2.087 463 F HA -0.316 4.211 4.527 -0.000 0.000 0.299 463 F C 1.801 177.729 175.800 0.213 0.000 1.100 463 F CA 2.010 60.185 58.000 0.291 0.000 1.226 463 F CB -0.613 38.442 39.000 0.092 0.000 0.983 463 F HN 0.253 nan 8.300 nan 0.000 0.479 464 N N 0.424 119.283 118.700 0.265 0.000 2.272 464 N HA -0.160 4.580 4.740 -0.000 0.000 0.185 464 N C 1.711 177.191 175.510 -0.049 0.000 1.014 464 N CA 1.242 54.340 53.050 0.079 0.000 0.870 464 N CB -0.296 38.251 38.487 0.100 0.000 0.975 464 N HN 0.412 nan 8.380 nan 0.000 0.433 465 E N -0.520 119.642 120.200 -0.063 0.000 2.046 465 E HA -0.101 4.249 4.350 -0.000 0.000 0.190 465 E C 1.737 178.188 176.600 -0.249 0.000 0.982 465 E CA 0.771 57.035 56.400 -0.226 0.000 0.800 465 E CB -0.512 28.930 29.700 -0.431 0.000 0.756 465 E HN 0.492 nan 8.360 nan 0.000 0.449 466 Y N 1.382 121.640 120.300 -0.070 0.000 2.207 466 Y HA -0.166 4.384 4.550 0.000 0.000 0.287 466 Y C 2.480 178.397 175.900 0.028 0.000 1.156 466 Y CA 1.139 59.276 58.100 0.062 0.000 1.182 466 Y CB -0.067 38.524 38.460 0.220 0.000 0.979 466 Y HN -0.048 nan 8.280 nan 0.000 0.521 467 R N 0.667 121.114 120.500 -0.088 0.000 2.094 467 R HA -0.191 4.149 4.340 -0.000 0.000 0.239 467 R C 1.999 178.263 176.300 -0.060 0.000 1.137 467 R CA 1.732 57.729 56.100 -0.172 0.000 0.943 467 R CB -0.585 29.534 30.300 -0.302 0.000 0.850 467 R HN 0.407 nan 8.270 nan 0.000 0.433 468 K N -0.134 120.204 120.400 -0.103 0.000 2.057 468 K HA -0.084 4.236 4.320 -0.000 0.000 0.206 468 K C 2.169 178.697 176.600 -0.120 0.000 1.050 468 K CA 0.550 56.764 56.287 -0.121 0.000 0.935 468 K CB -0.154 32.243 32.500 -0.173 0.000 0.715 468 K HN -0.104 nan 8.250 nan 0.000 0.439 469 R N 0.909 121.323 120.500 -0.143 0.000 2.103 469 R HA -0.086 4.254 4.340 -0.000 0.000 0.242 469 R C 1.242 177.338 176.300 -0.340 0.000 1.142 469 R CA 1.488 57.426 56.100 -0.269 0.000 0.960 469 R CB -0.549 29.559 30.300 -0.321 0.000 0.858 469 R HN 0.167 nan 8.270 nan 0.000 0.439 470 F N -0.284 119.646 119.950 -0.033 0.000 2.701 470 F HA 0.257 4.784 4.527 -0.000 0.000 0.295 470 F C 1.348 177.136 175.800 -0.021 0.000 1.165 470 F CA 0.469 58.461 58.000 -0.013 0.000 1.399 470 F CB 0.151 39.170 39.000 0.033 0.000 0.996 470 F HN 0.250 nan 8.300 nan 0.000 0.513 471 G N 0.714 109.541 108.800 0.045 0.000 2.176 471 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.252 471 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.252 471 G C 0.083 175.001 174.900 0.029 0.000 1.024 471 G CA 0.030 45.151 45.100 0.036 0.000 0.755 471 G HN 0.341 nan 8.290 nan 0.000 0.507 472 M N -1.258 118.342 119.600 0.001 0.000 2.705 472 M HA 0.604 5.084 4.480 -0.000 0.000 0.311 472 M C 0.300 176.549 176.300 -0.085 0.000 1.214 472 M CA -1.046 54.230 55.300 -0.040 0.000 0.920 472 M CB 1.617 34.177 32.600 -0.068 0.000 1.687 472 M HN -0.023 nan 8.290 nan 0.000 0.481 473 K N 2.577 122.916 120.400 -0.102 0.000 2.249 473 K HA 0.347 4.667 4.320 -0.000 0.000 0.280 473 K C -2.343 174.137 176.600 -0.200 0.000 1.033 473 K CA -1.199 55.023 56.287 -0.109 0.000 0.946 473 K CB 0.554 33.012 32.500 -0.069 0.000 1.005 473 K HN 0.182 nan 8.250 nan 0.000 0.469 474 P HA 0.014 nan 4.420 nan 0.000 0.275 474 P C -0.840 176.386 177.300 -0.123 0.000 1.228 474 P CA -0.217 62.788 63.100 -0.159 0.000 0.786 474 P CB 0.416 32.073 31.700 -0.071 0.000 0.927 475 Y N 0.683 120.997 120.300 0.024 0.000 2.497 475 Y HA 0.008 4.558 4.550 -0.000 0.000 0.334 475 Y C 2.135 178.003 175.900 -0.054 0.000 1.199 475 Y CA 0.727 58.818 58.100 -0.015 0.000 1.425 475 Y CB -0.157 38.279 38.460 -0.041 0.000 1.291 475 Y HN 0.366 nan 8.280 nan 0.000 0.562 476 T N -1.777 112.868 114.554 0.152 0.000 3.057 476 T HA 0.130 4.480 4.350 -0.000 0.000 0.254 476 T C 0.221 174.927 174.700 0.010 0.000 1.094 476 T CA 0.507 62.643 62.100 0.060 0.000 1.088 476 T CB -0.084 68.820 68.868 0.061 0.000 0.934 476 T HN 0.527 nan 8.240 nan 0.000 0.497 477 S N -0.807 114.878 115.700 -0.026 0.000 2.565 477 S HA 0.543 5.013 4.470 -0.000 0.000 0.269 477 S C -0.162 174.336 174.600 -0.170 0.000 1.153 477 S CA -0.914 57.245 58.200 -0.069 0.000 0.835 477 S CB 0.320 63.534 63.200 0.024 0.000 1.122 477 S HN -0.093 nan 8.310 nan 0.000 0.462 478 F N 1.885 121.801 119.950 -0.056 0.000 2.216 478 F HA -0.066 4.461 4.527 -0.000 0.000 0.300 478 F C 2.793 178.501 175.800 -0.152 0.000 1.085 478 F CA 1.622 59.548 58.000 -0.123 0.000 1.326 478 F CB -0.188 38.762 39.000 -0.084 0.000 1.027 478 F HN 0.647 nan 8.300 nan 0.000 0.497 479 Q N 0.504 120.352 119.800 0.079 0.000 2.437 479 Q HA -0.200 4.140 4.340 -0.000 0.000 0.210 479 Q C 1.599 177.567 176.000 -0.054 0.000 0.972 479 Q CA 1.330 57.142 55.803 0.016 0.000 0.903 479 Q CB -0.737 28.024 28.738 0.038 0.000 0.967 479 Q HN 0.599 nan 8.270 nan 0.000 0.486 480 E N 0.285 120.415 120.200 -0.117 0.000 2.251 480 E HA -0.020 4.330 4.350 -0.000 0.000 0.194 480 E C 1.765 178.100 176.600 -0.441 0.000 0.964 480 E CA -0.067 56.244 56.400 -0.149 0.000 0.868 480 E CB 0.245 29.926 29.700 -0.032 0.000 0.828 480 E HN 0.238 nan 8.360 nan 0.000 0.481 481 L N 1.464 122.255 121.223 -0.720 0.000 1.950 481 L HA -0.004 4.336 4.340 -0.000 0.000 0.210 481 L C 1.352 177.930 176.870 -0.487 0.000 1.079 481 L CA 1.878 56.071 54.840 -1.078 0.000 0.754 481 L CB -0.824 40.733 42.059 -0.837 0.000 0.889 481 L HN 0.105 nan 8.230 nan 0.000 0.433 482 T N -1.905 112.479 114.554 -0.283 0.000 2.898 482 T HA 0.348 4.698 4.350 -0.000 0.000 0.301 482 T C 0.902 175.528 174.700 -0.123 0.000 1.049 482 T CA -0.243 61.759 62.100 -0.163 0.000 1.095 482 T CB 0.944 69.760 68.868 -0.086 0.000 0.976 482 T HN 0.437 nan 8.240 nan 0.000 0.539 483 G N 1.473 110.223 108.800 -0.084 0.000 3.379 483 G HA2 0.421 4.381 3.960 -0.000 0.000 0.253 483 G HA3 0.421 4.381 3.960 -0.000 0.000 0.253 483 G C 0.147 175.031 174.900 -0.026 0.000 1.262 483 G CA -0.173 44.898 45.100 -0.049 0.000 0.959 483 G HN 0.954 nan 8.290 nan 0.000 0.524 484 E N -1.869 118.317 120.200 -0.024 0.000 2.390 484 E HA 0.601 4.951 4.350 -0.000 0.000 0.242 484 E C 0.353 176.957 176.600 0.007 0.000 0.907 484 E CA -0.843 55.554 56.400 -0.006 0.000 0.884 484 E CB 0.644 30.340 29.700 -0.005 0.000 1.788 484 E HN -0.214 nan 8.360 nan 0.000 0.427 485 K N -0.417 119.990 120.400 0.012 0.000 2.424 485 K HA 0.197 4.517 4.320 -0.000 0.000 0.198 485 K C 1.564 178.177 176.600 0.022 0.000 1.190 485 K CA 0.729 57.029 56.287 0.020 0.000 0.935 485 K CB 0.400 32.911 32.500 0.018 0.000 1.087 485 K HN 0.633 nan 8.250 nan 0.000 0.524 486 E N 1.164 121.375 120.200 0.018 0.000 2.001 486 E HA -0.067 4.283 4.350 -0.000 0.000 0.193 486 E C 1.973 178.601 176.600 0.046 0.000 0.994 486 E CA 1.256 57.668 56.400 0.019 0.000 0.815 486 E CB 0.068 29.771 29.700 0.005 0.000 0.770 486 E HN 0.052 nan 8.360 nan 0.000 0.453 487 M N 0.279 119.924 119.600 0.075 0.000 2.117 487 M HA -0.168 4.312 4.480 -0.000 0.000 0.262 487 M C 2.462 178.819 176.300 0.095 0.000 1.065 487 M CA 1.443 56.857 55.300 0.190 0.000 1.114 487 M CB -0.302 32.427 32.600 0.215 0.000 1.361 487 M HN 0.297 nan 8.290 nan 0.000 0.408 488 A N 0.599 123.440 122.820 0.035 0.000 1.892 488 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 488 A C 2.354 179.910 177.584 -0.046 0.000 1.188 488 A CA 2.323 54.373 52.037 0.022 0.000 0.631 488 A CB -1.110 17.935 19.000 0.074 0.000 0.822 488 A HN 0.540 nan 8.150 nan 0.000 0.447 489 A N -0.829 121.991 122.820 -0.002 0.000 1.908 489 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 489 A C 2.066 179.623 177.584 -0.045 0.000 1.181 489 A CA 1.963 53.994 52.037 -0.010 0.000 0.627 489 A CB -0.495 18.513 19.000 0.013 0.000 0.818 489 A HN 0.703 nan 8.150 nan 0.000 0.445 490 E N -0.482 119.717 120.200 -0.002 0.000 2.112 490 E HA -0.034 4.316 4.350 -0.000 0.000 0.190 490 E C 1.933 178.509 176.600 -0.040 0.000 0.979 490 E CA 0.439 56.869 56.400 0.050 0.000 0.814 490 E CB -0.137 29.668 29.700 0.174 0.000 0.762 490 E HN 0.615 nan 8.360 nan 0.000 0.460 491 L N 0.962 122.042 121.223 -0.239 0.000 2.046 491 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 491 L C 2.635 178.971 176.870 -0.890 0.000 1.077 491 L CA 1.523 55.998 54.840 -0.608 0.000 0.747 491 L CB -0.370 41.167 42.059 -0.869 0.000 0.896 491 L HN 0.266 nan 8.230 nan 0.000 0.432 492 E N 0.616 120.239 120.200 -0.962 0.000 2.058 492 E HA -0.287 4.063 4.350 -0.000 0.000 0.194 492 E C 1.945 178.446 176.600 -0.165 0.000 0.997 492 E CA 1.759 57.817 56.400 -0.569 0.000 0.801 492 E CB 0.035 29.658 29.700 -0.129 0.000 0.746 492 E HN 0.656 nan 8.360 nan 0.000 0.450 493 E N 0.017 120.148 120.200 -0.115 0.000 2.347 493 E HA -0.136 4.214 4.350 -0.000 0.000 0.196 493 E C 2.095 178.665 176.600 -0.050 0.000 1.008 493 E CA 0.469 56.845 56.400 -0.040 0.000 0.852 493 E CB -0.059 29.631 29.700 -0.017 0.000 0.783 493 E HN 0.339 nan 8.360 nan 0.000 0.505 494 L N -0.529 120.636 121.223 -0.098 0.000 2.130 494 L HA -0.016 4.324 4.340 -0.000 0.000 0.200 494 L C 2.014 178.757 176.870 -0.210 0.000 1.075 494 L CA 0.803 55.550 54.840 -0.154 0.000 0.768 494 L CB -0.197 41.754 42.059 -0.180 0.000 0.933 494 L HN 0.086 nan 8.230 nan 0.000 0.451 495 Y N -0.267 120.007 120.300 -0.044 0.000 2.314 495 Y HA 0.035 4.585 4.550 -0.000 0.000 0.294 495 Y C 2.038 178.006 175.900 0.113 0.000 1.119 495 Y CA 0.997 59.141 58.100 0.073 0.000 1.179 495 Y CB -0.159 38.425 38.460 0.208 0.000 1.025 495 Y HN 0.304 nan 8.280 nan 0.000 0.541 496 G N -0.944 108.002 108.800 0.244 0.000 2.812 496 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.219 496 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.219 496 G C 0.075 175.135 174.900 0.266 0.000 1.275 496 G CA 0.303 45.522 45.100 0.197 0.000 0.769 496 G HN 0.331 nan 8.290 nan 0.000 0.527 497 D N -0.448 120.147 120.400 0.325 0.000 2.575 497 D HA 0.561 5.201 4.640 -0.000 0.000 0.236 497 D C 1.048 177.481 176.300 0.221 0.000 1.075 497 D CA -0.437 53.714 54.000 0.251 0.000 0.860 497 D CB 2.086 42.978 40.800 0.154 0.000 1.475 497 D HN 0.121 nan 8.370 nan 0.000 0.474 498 I N 1.619 122.161 120.570 -0.045 0.000 2.546 498 I HA -0.132 4.038 4.170 -0.000 0.000 0.255 498 I C 1.106 177.116 176.117 -0.179 0.000 1.163 498 I CA 1.322 62.320 61.300 -0.504 0.000 1.457 498 I CB -0.009 37.662 38.000 -0.549 0.000 1.092 498 I HN 0.269 nan 8.210 nan 0.000 0.434 499 D N 0.732 121.116 120.400 -0.026 0.000 2.371 499 D HA 0.096 4.736 4.640 -0.000 0.000 0.234 499 D C 1.544 177.893 176.300 0.081 0.000 1.049 499 D CA 0.932 54.958 54.000 0.044 0.000 0.907 499 D CB 0.206 41.044 40.800 0.064 0.000 0.891 499 D HN 0.516 nan 8.370 nan 0.000 0.531 500 A N -0.070 122.795 122.820 0.075 0.000 2.469 500 A HA 0.150 4.470 4.320 -0.000 0.000 0.245 500 A C 0.659 178.214 177.584 -0.048 0.000 1.221 500 A CA -0.384 51.721 52.037 0.114 0.000 0.946 500 A CB 0.252 19.381 19.000 0.215 0.000 1.049 500 A HN 0.151 nan 8.150 nan 0.000 0.529 501 L N 2.102 123.195 121.223 -0.215 0.000 2.534 501 L HA 0.162 4.502 4.340 -0.000 0.000 0.271 501 L C 0.321 177.041 176.870 -0.249 0.000 1.178 501 L CA 0.203 54.696 54.840 -0.578 0.000 0.907 501 L CB -0.277 41.538 42.059 -0.407 0.000 1.164 501 L HN 0.379 nan 8.230 nan 0.000 0.482 502 E N 3.550 123.575 120.200 -0.292 0.000 2.422 502 E HA -0.091 4.259 4.350 -0.000 0.000 0.260 502 E C 0.489 177.213 176.600 0.207 0.000 1.108 502 E CA 0.024 56.472 56.400 0.079 0.000 0.943 502 E CB 0.417 30.219 29.700 0.170 0.000 0.961 502 E HN 0.660 nan 8.360 nan 0.000 0.443 503 F N 1.771 121.825 119.950 0.174 0.000 1.993 503 F HA -0.334 4.193 4.527 -0.000 0.000 0.297 503 F C 2.177 178.104 175.800 0.213 0.000 1.177 503 F CA 1.894 60.030 58.000 0.226 0.000 1.182 503 F CB -0.674 38.345 39.000 0.031 0.000 0.958 503 F HN 0.638 nan 8.300 nan 0.000 0.496 504 Y N 1.294 121.632 120.300 0.063 0.000 2.040 504 Y HA -0.219 4.331 4.550 -0.000 0.000 0.275 504 Y C -0.686 175.138 175.900 -0.126 0.000 1.171 504 Y CA 2.552 60.604 58.100 -0.079 0.000 1.123 504 Y CB -2.041 36.424 38.460 0.009 0.000 0.963 504 Y HN 0.094 nan 8.280 nan 0.000 0.493 505 P HA -0.146 nan 4.420 nan 0.000 0.215 505 P C 1.728 178.800 177.300 -0.380 0.000 1.157 505 P CA 2.509 65.493 63.100 -0.192 0.000 0.868 505 P CB -0.519 31.157 31.700 -0.041 0.000 0.788 506 G N -0.383 108.129 108.800 -0.480 0.000 2.469 506 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.220 506 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.220 506 G C 1.490 175.861 174.900 -0.882 0.000 1.136 506 G CA 0.714 45.174 45.100 -1.065 0.000 0.759 506 G HN 0.230 nan 8.290 nan 0.000 0.562 507 L N -0.494 120.455 121.223 -0.456 0.000 2.093 507 L HA 0.116 4.456 4.340 -0.000 0.000 0.208 507 L C 2.653 179.321 176.870 -0.338 0.000 1.085 507 L CA 0.632 55.292 54.840 -0.299 0.000 0.755 507 L CB -0.127 41.697 42.059 -0.392 0.000 0.904 507 L HN 0.173 nan 8.230 nan 0.000 0.435 508 L N -1.286 119.680 121.223 -0.428 0.000 2.477 508 L HA -0.011 4.329 4.340 -0.000 0.000 0.220 508 L C 1.879 178.585 176.870 -0.273 0.000 1.106 508 L CA 0.243 54.868 54.840 -0.358 0.000 0.851 508 L CB 0.069 41.848 42.059 -0.467 0.000 0.994 508 L HN 0.232 nan 8.230 nan 0.000 0.462 509 L N -0.920 120.122 121.223 -0.302 0.000 2.463 509 L HA 0.092 4.432 4.340 -0.000 0.000 0.219 509 L C 1.289 178.009 176.870 -0.250 0.000 1.088 509 L CA -0.022 54.668 54.840 -0.250 0.000 0.849 509 L CB 0.049 41.944 42.059 -0.273 0.000 1.012 509 L HN 0.212 nan 8.230 nan 0.000 0.468 510 E N 3.031 123.055 120.200 -0.293 0.000 2.436 510 E HA -0.032 4.318 4.350 -0.000 0.000 0.262 510 E C -0.184 176.302 176.600 -0.189 0.000 1.063 510 E CA -0.428 55.822 56.400 -0.251 0.000 0.944 510 E CB 0.664 30.277 29.700 -0.144 0.000 0.950 510 E HN 0.125 nan 8.360 nan 0.000 0.444 511 K N 2.555 122.855 120.400 -0.168 0.000 2.401 511 K HA 0.124 4.444 4.320 -0.000 0.000 0.278 511 K C -0.599 175.905 176.600 -0.162 0.000 1.018 511 K CA -0.701 55.507 56.287 -0.133 0.000 0.981 511 K CB 0.508 32.952 32.500 -0.093 0.000 0.933 511 K HN 0.338 nan 8.250 nan 0.000 0.477 512 C N 2.617 121.835 119.300 -0.137 0.000 2.656 512 C HA 0.139 4.599 4.460 -0.000 0.000 0.391 512 C C 0.561 175.486 174.990 -0.108 0.000 1.300 512 C CA -0.381 58.544 59.018 -0.155 0.000 2.302 512 C CB -0.683 26.996 27.740 -0.103 0.000 2.655 512 C HN 0.775 nan 8.230 nan 0.000 0.656 513 H N 1.759 120.789 119.070 -0.066 0.000 2.562 513 H HA 0.138 4.694 4.556 -0.000 0.000 0.352 513 H C -1.270 174.044 175.328 -0.023 0.000 1.125 513 H CA -0.682 55.320 56.048 -0.076 0.000 1.379 513 H CB 0.401 29.999 29.762 -0.274 0.000 1.464 513 H HN 0.503 nan 8.280 nan 0.000 0.563 514 P HA -0.341 nan 4.420 nan 0.000 0.251 514 P C -0.342 177.000 177.300 0.069 0.000 0.764 514 P CA 1.925 65.098 63.100 0.122 0.000 1.085 514 P CB 0.080 31.873 31.700 0.155 0.000 0.796 515 N N -1.993 116.744 118.700 0.062 0.000 2.610 515 N HA 0.231 4.971 4.740 -0.000 0.000 0.309 515 N C -0.898 174.600 175.510 -0.020 0.000 1.536 515 N CA -0.148 52.910 53.050 0.012 0.000 0.954 515 N CB 0.257 38.754 38.487 0.016 0.000 1.310 515 N HN 0.065 nan 8.380 nan 0.000 0.502 516 S N -0.098 115.594 115.700 -0.013 0.000 2.672 516 S HA 0.296 4.766 4.470 -0.000 0.000 0.276 516 S C 1.278 175.773 174.600 -0.176 0.000 1.207 516 S CA -0.751 57.414 58.200 -0.058 0.000 1.002 516 S CB 1.619 64.838 63.200 0.033 0.000 0.998 516 S HN 0.273 nan 8.310 nan 0.000 0.542 517 I N 0.398 120.769 120.570 -0.331 0.000 2.617 517 I HA 0.055 4.225 4.170 -0.000 0.000 0.256 517 I C -0.505 175.344 176.117 -0.446 0.000 1.167 517 I CA 1.010 61.987 61.300 -0.539 0.000 1.469 517 I CB 0.089 37.550 38.000 -0.897 0.000 1.098 517 I HN 0.614 nan 8.210 nan 0.000 0.436 518 F N -1.444 118.343 119.950 -0.271 0.000 3.090 518 F HA 0.752 5.279 4.527 -0.000 0.000 0.324 518 F C -0.143 175.465 175.800 -0.319 0.000 1.189 518 F CA -1.397 56.426 58.000 -0.296 0.000 0.907 518 F CB -0.210 38.578 39.000 -0.353 0.000 1.445 518 F HN -0.309 nan 8.300 nan 0.000 0.500 519 G N -0.787 107.921 108.800 -0.153 0.000 2.735 519 G HA2 0.469 4.429 3.960 -0.000 0.000 0.301 519 G HA3 0.469 4.429 3.960 -0.000 0.000 0.301 519 G C 0.107 174.716 174.900 -0.486 0.000 1.279 519 G CA -0.168 44.597 45.100 -0.558 0.000 1.019 519 G HN 0.969 nan 8.290 nan 0.000 0.497 520 E N -0.327 119.533 120.200 -0.565 0.000 2.242 520 E HA -0.309 4.041 4.350 -0.000 0.000 0.247 520 E C 2.600 179.161 176.600 -0.065 0.000 1.056 520 E CA 2.672 59.057 56.400 -0.024 0.000 0.999 520 E CB -0.332 29.427 29.700 0.098 0.000 0.891 520 E HN 0.379 nan 8.360 nan 0.000 0.512 521 S N -0.044 115.618 115.700 -0.063 0.000 2.381 521 S HA -0.319 4.151 4.470 -0.000 0.000 0.230 521 S C 1.806 176.275 174.600 -0.218 0.000 1.052 521 S CA 1.915 60.049 58.200 -0.109 0.000 1.068 521 S CB -0.466 62.732 63.200 -0.005 0.000 0.918 521 S HN 0.308 nan 8.310 nan 0.000 0.448 522 M N 1.392 120.789 119.600 -0.337 0.000 2.110 522 M HA -0.114 4.366 4.480 -0.000 0.000 0.257 522 M C 1.810 177.836 176.300 -0.457 0.000 1.071 522 M CA 1.669 56.642 55.300 -0.545 0.000 1.096 522 M CB -0.632 31.263 32.600 -1.175 0.000 1.300 522 M HN 0.313 nan 8.290 nan 0.000 0.411 523 I N -0.399 119.925 120.570 -0.409 0.000 2.142 523 I HA -0.252 3.918 4.170 -0.000 0.000 0.240 523 I C 1.942 178.036 176.117 -0.038 0.000 1.078 523 I CA 1.163 62.378 61.300 -0.143 0.000 1.343 523 I CB -0.722 37.293 38.000 0.024 0.000 1.046 523 I HN 0.287 nan 8.210 nan 0.000 0.405 524 E N 0.217 120.399 120.200 -0.030 0.000 2.472 524 E HA -0.117 4.233 4.350 -0.000 0.000 0.200 524 E C 1.811 178.367 176.600 -0.073 0.000 1.046 524 E CA 1.024 57.432 56.400 0.014 0.000 0.871 524 E CB 0.024 29.756 29.700 0.053 0.000 0.806 524 E HN 0.597 nan 8.360 nan 0.000 0.533 525 M N -1.483 117.974 119.600 -0.238 0.000 2.470 525 M HA 0.177 4.657 4.480 -0.000 0.000 0.262 525 M C 2.029 178.259 176.300 -0.116 0.000 1.211 525 M CA 0.553 55.511 55.300 -0.569 0.000 1.125 525 M CB 0.484 32.758 32.600 -0.543 0.000 1.480 525 M HN 0.057 nan 8.290 nan 0.000 0.541 526 G N 0.636 109.404 108.800 -0.054 0.000 2.434 526 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.214 526 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.214 526 G C 1.596 176.572 174.900 0.127 0.000 1.202 526 G CA 1.016 46.158 45.100 0.070 0.000 0.788 526 G HN 0.448 nan 8.290 nan 0.000 0.539 527 A N 1.736 124.613 122.820 0.095 0.000 1.883 527 A HA 0.044 4.364 4.320 -0.000 0.000 0.217 527 A C 0.710 178.338 177.584 0.073 0.000 1.186 527 A CA 2.148 54.248 52.037 0.106 0.000 0.624 527 A CB -1.316 17.743 19.000 0.098 0.000 0.822 527 A HN 0.376 nan 8.150 nan 0.000 0.444 528 P HA -0.187 nan 4.420 nan 0.000 0.205 528 P C 1.142 178.393 177.300 -0.082 0.000 1.164 528 P CA 1.438 64.536 63.100 -0.003 0.000 0.938 528 P CB -0.327 31.391 31.700 0.030 0.000 0.777 529 F N -0.707 119.130 119.950 -0.189 0.000 2.111 529 F HA -0.223 4.304 4.527 -0.000 0.000 0.300 529 F C 2.590 178.041 175.800 -0.581 0.000 1.088 529 F CA 1.923 59.613 58.000 -0.516 0.000 1.243 529 F CB -1.501 36.857 39.000 -1.069 0.000 0.996 529 F HN -0.041 nan 8.300 nan 0.000 0.483 530 S N -0.682 114.912 115.700 -0.177 0.000 2.607 530 S HA 0.076 4.546 4.470 -0.000 0.000 0.224 530 S C 1.735 176.384 174.600 0.083 0.000 0.969 530 S CA 0.314 58.545 58.200 0.051 0.000 0.927 530 S CB -0.140 63.247 63.200 0.312 0.000 0.772 530 S HN 0.276 nan 8.310 nan 0.000 0.533 531 L N -0.101 121.147 121.223 0.042 0.000 2.515 531 L HA 0.244 4.584 4.340 -0.000 0.000 0.202 531 L C 2.197 179.111 176.870 0.073 0.000 1.056 531 L CA 0.469 55.345 54.840 0.060 0.000 0.847 531 L CB -0.340 41.754 42.059 0.059 0.000 1.131 531 L HN 0.120 nan 8.230 nan 0.000 0.484 532 K N 1.054 121.494 120.400 0.066 0.000 2.074 532 K HA -0.160 4.160 4.320 -0.000 0.000 0.209 532 K C 1.741 178.381 176.600 0.067 0.000 1.048 532 K CA 1.994 58.348 56.287 0.112 0.000 0.926 532 K CB -0.886 31.604 32.500 -0.017 0.000 0.713 532 K HN 0.250 nan 8.250 nan 0.000 0.444 533 G N -0.101 108.683 108.800 -0.026 0.000 2.462 533 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.220 533 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.220 533 G C 1.193 176.091 174.900 -0.003 0.000 1.121 533 G CA 1.041 46.095 45.100 -0.077 0.000 0.758 533 G HN 0.245 nan 8.290 nan 0.000 0.559 534 L N -0.099 121.158 121.223 0.057 0.000 2.187 534 L HA 0.302 4.642 4.340 -0.000 0.000 0.197 534 L C 2.567 179.518 176.870 0.135 0.000 1.090 534 L CA 0.484 55.372 54.840 0.080 0.000 0.781 534 L CB -0.905 41.177 42.059 0.039 0.000 0.956 534 L HN 0.010 nan 8.230 nan 0.000 0.463 535 L N 0.123 121.432 121.223 0.145 0.000 2.349 535 L HA -0.102 4.238 4.340 -0.000 0.000 0.220 535 L C 1.906 179.031 176.870 0.424 0.000 1.130 535 L CA 1.586 56.527 54.840 0.167 0.000 0.791 535 L CB -1.714 40.282 42.059 -0.105 0.000 0.918 535 L HN 0.456 nan 8.230 nan 0.000 0.444 536 G N -0.864 108.192 108.800 0.427 0.000 3.088 536 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.212 536 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.212 536 G C 0.784 175.863 174.900 0.299 0.000 1.173 536 G CA -0.302 45.027 45.100 0.382 0.000 0.779 536 G HN 0.281 nan 8.290 nan 0.000 0.540 537 N N 1.116 119.985 118.700 0.280 0.000 2.508 537 N HA 0.099 4.839 4.740 -0.000 0.000 0.264 537 N C -1.004 174.620 175.510 0.191 0.000 1.216 537 N CA -1.464 51.703 53.050 0.194 0.000 0.943 537 N CB 2.296 40.894 38.487 0.186 0.000 1.113 537 N HN -0.095 nan 8.380 nan 0.000 0.447 538 P HA -0.140 nan 4.420 nan 0.000 0.218 538 P C 1.518 178.639 177.300 -0.299 0.000 1.149 538 P CA 1.246 64.210 63.100 -0.228 0.000 0.817 538 P CB -0.100 31.405 31.700 -0.325 0.000 0.785 539 I N -2.956 117.678 120.570 0.108 0.000 2.700 539 I HA -0.108 4.062 4.170 -0.000 0.000 0.261 539 I C 1.630 177.967 176.117 0.366 0.000 1.219 539 I CA 1.273 62.803 61.300 0.384 0.000 1.463 539 I CB -1.187 37.166 38.000 0.589 0.000 1.092 539 I HN -0.159 nan 8.210 nan 0.000 0.452 540 C N 1.527 120.918 119.300 0.152 0.000 2.626 540 C HA 0.178 4.638 4.460 -0.000 0.000 0.266 540 C C 1.801 176.664 174.990 -0.211 0.000 1.317 540 C CA 0.245 59.286 59.018 0.039 0.000 1.716 540 C CB -1.819 26.050 27.740 0.216 0.000 1.819 540 C HN 0.719 nan 8.230 nan 0.000 0.578 541 S N 1.718 117.040 115.700 -0.629 0.000 2.585 541 S HA 0.195 4.665 4.470 -0.000 0.000 0.273 541 S C -1.730 172.702 174.600 -0.280 0.000 1.339 541 S CA -0.584 56.997 58.200 -1.032 0.000 1.028 541 S CB 0.767 63.401 63.200 -0.942 0.000 0.906 541 S HN 0.076 nan 8.310 nan 0.000 0.528 542 P HA -0.081 nan 4.420 nan 0.000 0.218 542 P C 1.372 178.576 177.300 -0.160 0.000 1.148 542 P CA 1.088 63.792 63.100 -0.659 0.000 0.822 542 P CB 0.064 31.209 31.700 -0.926 0.000 0.784 543 E N -1.390 118.754 120.200 -0.095 0.000 2.110 543 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 543 E C 1.188 177.954 176.600 0.277 0.000 0.988 543 E CA 1.598 58.049 56.400 0.085 0.000 0.804 543 E CB -0.619 29.159 29.700 0.129 0.000 0.745 543 E HN 0.267 nan 8.360 nan 0.000 0.458 544 Y N -1.742 118.550 120.300 -0.014 0.000 2.507 544 Y HA 0.171 4.721 4.550 0.000 0.000 0.263 544 Y C 0.497 176.477 175.900 0.133 0.000 1.093 544 Y CA -0.556 57.551 58.100 0.013 0.000 1.285 544 Y CB -0.351 38.128 38.460 0.033 0.000 1.115 544 Y HN 0.135 nan 8.280 nan 0.000 0.533 545 W N 4.042 125.470 121.300 0.213 0.000 1.828 545 W HA 0.268 4.928 4.660 0.000 0.000 0.470 545 W C -0.777 175.823 176.519 0.136 0.000 0.786 545 W CA 0.324 57.851 57.345 0.304 0.000 1.816 545 W CB -0.513 29.232 29.460 0.475 0.000 1.798 545 W HN -0.063 nan 8.180 nan 0.000 0.252 546 K N 1.745 122.008 120.400 -0.228 0.000 2.502 546 K HA 0.359 4.679 4.320 -0.000 0.000 0.257 546 K C 0.562 176.698 176.600 -0.772 0.000 0.938 546 K CA -0.410 55.633 56.287 -0.407 0.000 0.819 546 K CB 1.911 34.291 32.500 -0.201 0.000 1.333 546 K HN 0.084 nan 8.250 nan 0.000 0.434 547 A N 0.926 123.261 122.820 -0.808 0.000 2.024 547 A HA -0.178 4.142 4.320 -0.000 0.000 0.220 547 A C 1.898 179.324 177.584 -0.263 0.000 1.164 547 A CA 2.334 53.975 52.037 -0.660 0.000 0.643 547 A CB -0.668 18.193 19.000 -0.231 0.000 0.806 547 A HN 0.763 nan 8.150 nan 0.000 0.451 548 S N -1.178 114.391 115.700 -0.218 0.000 2.423 548 S HA -0.116 4.354 4.470 -0.000 0.000 0.231 548 S C 1.711 176.193 174.600 -0.196 0.000 1.014 548 S CA 1.678 59.802 58.200 -0.126 0.000 0.965 548 S CB -1.031 62.109 63.200 -0.100 0.000 0.785 548 S HN 0.466 nan 8.310 nan 0.000 0.495 549 T N 1.375 115.709 114.554 -0.368 0.000 2.881 549 T HA 0.076 4.426 4.350 -0.000 0.000 0.270 549 T C 0.481 174.787 174.700 -0.656 0.000 1.068 549 T CA 1.100 62.852 62.100 -0.581 0.000 1.131 549 T CB -0.437 67.944 68.868 -0.812 0.000 0.871 549 T HN 0.556 nan 8.240 nan 0.000 0.479 550 F N 0.335 120.232 119.950 -0.089 0.000 2.639 550 F HA 0.461 4.988 4.527 -0.000 0.000 0.300 550 F C 1.705 177.572 175.800 0.111 0.000 1.109 550 F CA -0.525 57.493 58.000 0.029 0.000 1.335 550 F CB -0.167 38.874 39.000 0.069 0.000 1.014 550 F HN 0.205 nan 8.300 nan 0.000 0.537 551 G N 0.031 108.960 108.800 0.215 0.000 2.143 551 G HA2 0.112 4.072 3.960 -0.000 0.000 0.249 551 G HA3 0.112 4.072 3.960 -0.000 0.000 0.249 551 G C 0.604 175.710 174.900 0.344 0.000 0.981 551 G CA 0.033 45.336 45.100 0.339 0.000 0.665 551 G HN 1.187 nan 8.290 nan 0.000 0.528 552 G N -1.348 107.587 108.800 0.225 0.000 2.384 552 G HA2 0.343 4.303 3.960 -0.000 0.000 0.668 552 G HA3 0.343 4.303 3.960 -0.000 0.000 0.668 552 G C 0.158 175.163 174.900 0.175 0.000 1.280 552 G CA 0.515 45.721 45.100 0.177 0.000 0.992 552 G HN 0.994 nan 8.290 nan 0.000 0.512 553 E N -0.659 119.626 120.200 0.141 0.000 2.130 553 E HA -0.177 4.173 4.350 -0.000 0.000 0.196 553 E C 2.807 179.494 176.600 0.145 0.000 0.998 553 E CA 3.135 59.632 56.400 0.161 0.000 0.806 553 E CB -0.264 29.495 29.700 0.098 0.000 0.738 553 E HN 1.427 nan 8.360 nan 0.000 0.459 554 V N -1.768 118.209 119.914 0.106 0.000 2.233 554 V HA -0.155 3.965 4.120 -0.000 0.000 0.247 554 V C 2.221 178.379 176.094 0.108 0.000 1.050 554 V CA 2.330 64.677 62.300 0.078 0.000 1.010 554 V CB -1.556 30.294 31.823 0.045 0.000 0.637 554 V HN 0.252 nan 8.190 nan 0.000 0.444 555 G N -1.132 107.771 108.800 0.173 0.000 2.418 555 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.217 555 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.217 555 G C 1.484 176.477 174.900 0.154 0.000 1.158 555 G CA 1.078 46.301 45.100 0.206 0.000 0.771 555 G HN 0.475 nan 8.290 nan 0.000 0.545 556 F N 2.415 122.348 119.950 -0.028 0.000 2.126 556 F HA -0.089 4.438 4.527 -0.000 0.000 0.299 556 F C 2.391 178.050 175.800 -0.235 0.000 1.096 556 F CA 1.254 59.111 58.000 -0.238 0.000 1.255 556 F CB -0.358 38.562 39.000 -0.134 0.000 0.997 556 F HN 0.101 nan 8.300 nan 0.000 0.479 557 N N 0.384 119.048 118.700 -0.059 0.000 2.216 557 N HA -0.122 4.618 4.740 -0.000 0.000 0.183 557 N C 2.210 177.662 175.510 -0.098 0.000 1.017 557 N CA 0.937 53.902 53.050 -0.141 0.000 0.861 557 N CB -0.571 37.876 38.487 -0.066 0.000 0.986 557 N HN 0.321 nan 8.380 nan 0.000 0.428 558 L N 0.649 121.850 121.223 -0.037 0.000 1.997 558 L HA -0.208 4.132 4.340 -0.000 0.000 0.216 558 L C 2.303 179.168 176.870 -0.009 0.000 1.074 558 L CA 1.175 56.015 54.840 0.000 0.000 0.763 558 L CB -0.610 41.474 42.059 0.042 0.000 0.890 558 L HN -0.025 nan 8.230 nan 0.000 0.434 559 V N -0.231 119.633 119.914 -0.084 0.000 2.237 559 V HA -0.321 3.799 4.120 -0.000 0.000 0.245 559 V C 2.396 178.491 176.094 0.002 0.000 1.046 559 V CA 1.985 64.255 62.300 -0.050 0.000 1.007 559 V CB -0.482 31.184 31.823 -0.261 0.000 0.638 559 V HN 0.384 nan 8.190 nan 0.000 0.445 560 K N 0.176 120.468 120.400 -0.180 0.000 2.286 560 K HA -0.158 4.162 4.320 -0.000 0.000 0.203 560 K C 1.565 178.143 176.600 -0.036 0.000 1.045 560 K CA 1.839 58.035 56.287 -0.152 0.000 0.935 560 K CB -0.260 32.018 32.500 -0.371 0.000 0.737 560 K HN 0.752 nan 8.250 nan 0.000 0.460 561 T N -3.245 111.296 114.554 -0.020 0.000 3.145 561 T HA 0.445 4.795 4.350 -0.000 0.000 0.281 561 T C 0.342 175.062 174.700 0.033 0.000 1.003 561 T CA -0.362 61.741 62.100 0.005 0.000 0.901 561 T CB 0.406 69.262 68.868 -0.019 0.000 1.112 561 T HN 0.088 nan 8.240 nan 0.000 0.535 562 A N 1.141 124.003 122.820 0.069 0.000 2.583 562 A HA 0.490 4.810 4.320 -0.000 0.000 0.231 562 A C 0.424 178.046 177.584 0.063 0.000 1.065 562 A CA 0.360 52.449 52.037 0.086 0.000 0.760 562 A CB -0.177 18.916 19.000 0.155 0.000 1.001 562 A HN 0.456 nan 8.150 nan 0.000 0.509 563 T N 1.471 116.044 114.554 0.032 0.000 3.047 563 T HA 0.296 4.646 4.350 -0.000 0.000 0.340 563 T C 1.015 175.683 174.700 -0.053 0.000 1.421 563 T CA -0.509 61.586 62.100 -0.008 0.000 1.090 563 T CB 0.862 69.715 68.868 -0.025 0.000 1.292 563 T HN 0.620 nan 8.240 nan 0.000 0.480 564 L N 2.707 123.866 121.223 -0.107 0.000 1.990 564 L HA -0.137 4.203 4.340 -0.000 0.000 0.213 564 L C 2.575 179.344 176.870 -0.169 0.000 1.072 564 L CA 1.957 56.693 54.840 -0.175 0.000 0.755 564 L CB -0.222 41.587 42.059 -0.415 0.000 0.889 564 L HN 0.717 nan 8.230 nan 0.000 0.432 565 K N -0.038 120.261 120.400 -0.169 0.000 2.032 565 K HA -0.243 4.077 4.320 -0.000 0.000 0.209 565 K C 2.131 178.659 176.600 -0.119 0.000 1.048 565 K CA 1.677 57.875 56.287 -0.149 0.000 0.927 565 K CB 0.020 32.440 32.500 -0.133 0.000 0.712 565 K HN 0.258 nan 8.250 nan 0.000 0.441 566 K N 0.399 120.741 120.400 -0.097 0.000 2.057 566 K HA -0.164 4.156 4.320 -0.000 0.000 0.207 566 K C 2.081 178.617 176.600 -0.107 0.000 1.049 566 K CA 1.187 57.425 56.287 -0.082 0.000 0.931 566 K CB -0.213 32.255 32.500 -0.055 0.000 0.714 566 K HN 0.090 nan 8.250 nan 0.000 0.440 567 L N 0.903 122.046 121.223 -0.133 0.000 2.012 567 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 567 L C 1.943 178.676 176.870 -0.227 0.000 1.073 567 L CA 1.662 56.374 54.840 -0.215 0.000 0.748 567 L CB -0.373 41.516 42.059 -0.284 0.000 0.891 567 L HN -0.084 nan 8.230 nan 0.000 0.431 568 V N -1.349 118.450 119.914 -0.191 0.000 2.273 568 V HA -0.260 3.860 4.120 -0.000 0.000 0.242 568 V C 2.574 178.579 176.094 -0.149 0.000 1.035 568 V CA 1.696 63.886 62.300 -0.184 0.000 1.013 568 V CB -0.618 31.102 31.823 -0.170 0.000 0.652 568 V HN 0.607 nan 8.190 nan 0.000 0.452 569 c N -0.093 118.432 118.600 -0.126 0.000 2.411 569 c HA -0.101 4.469 4.570 -0.000 0.000 0.279 569 c C 2.420 176.456 174.090 -0.090 0.000 1.288 569 c CA 0.387 56.656 56.329 -0.100 0.000 1.764 569 c CB -1.179 41.278 42.510 -0.087 0.000 1.974 569 c HN 0.461 nan 8.230 nan 0.000 0.498 570 L N 1.352 122.519 121.223 -0.092 0.000 2.610 570 L HA 0.060 4.400 4.340 -0.000 0.000 0.232 570 L C 1.317 178.134 176.870 -0.088 0.000 1.149 570 L CA 1.482 56.275 54.840 -0.078 0.000 0.872 570 L CB -0.732 41.286 42.059 -0.068 0.000 0.992 570 L HN 0.433 nan 8.230 nan 0.000 0.447 571 N N -1.141 117.493 118.700 -0.109 0.000 2.241 571 N HA 0.160 4.900 4.740 -0.000 0.000 0.238 571 N C -0.258 175.176 175.510 -0.127 0.000 1.244 571 N CA 0.249 53.226 53.050 -0.122 0.000 0.880 571 N CB 1.100 39.501 38.487 -0.143 0.000 1.179 571 N HN 0.235 nan 8.380 nan 0.000 0.513 572 T N -2.419 112.070 114.554 -0.108 0.000 2.933 572 T HA 0.356 4.706 4.350 -0.000 0.000 0.305 572 T C 0.979 175.634 174.700 -0.075 0.000 1.092 572 T CA -0.741 61.300 62.100 -0.098 0.000 1.008 572 T CB 2.627 71.437 68.868 -0.098 0.000 1.102 572 T HN -0.317 nan 8.240 nan 0.000 0.469 573 K N 1.292 121.652 120.400 -0.066 0.000 2.113 573 K HA -0.025 4.295 4.320 -0.000 0.000 0.208 573 K C 1.359 177.934 176.600 -0.041 0.000 1.047 573 K CA 1.702 57.959 56.287 -0.049 0.000 0.928 573 K CB -0.529 31.947 32.500 -0.040 0.000 0.716 573 K HN 0.950 nan 8.250 nan 0.000 0.446 574 T N -3.498 111.032 114.554 -0.041 0.000 2.901 574 T HA 0.350 4.700 4.350 -0.000 0.000 0.293 574 T C -0.646 174.029 174.700 -0.041 0.000 1.084 574 T CA -1.061 61.019 62.100 -0.033 0.000 1.008 574 T CB 2.046 70.901 68.868 -0.022 0.000 1.170 574 T HN 0.120 nan 8.240 nan 0.000 0.509 575 c N 4.638 123.217 118.600 -0.036 0.000 2.294 575 c HA 0.684 5.254 4.570 -0.000 0.000 0.319 575 c C -1.920 172.153 174.090 -0.028 0.000 1.164 575 c CA -1.445 54.857 56.329 -0.045 0.000 1.497 575 c CB -0.524 41.956 42.510 -0.049 0.000 2.061 575 c HN 0.878 nan 8.230 nan 0.000 0.438 576 P HA 0.128 nan 4.420 nan 0.000 0.279 576 P C -1.038 176.274 177.300 0.019 0.000 1.282 576 P CA -0.343 62.762 63.100 0.009 0.000 0.788 576 P CB 0.475 32.172 31.700 -0.004 0.000 1.139 577 Y N 0.619 120.905 120.300 -0.024 0.000 2.569 577 Y HA 0.282 4.832 4.550 -0.000 0.000 0.332 577 Y C -0.495 175.397 175.900 -0.013 0.000 1.120 577 Y CA -0.014 58.077 58.100 -0.015 0.000 1.416 577 Y CB -0.008 38.451 38.460 -0.001 0.000 1.210 577 Y HN 0.131 nan 8.280 nan 0.000 0.528 578 V N 7.185 126.712 119.914 -0.643 0.000 2.488 578 V HA 0.705 4.825 4.120 -0.000 0.000 0.293 578 V C -1.199 174.539 176.094 -0.594 0.000 1.027 578 V CA 0.221 62.237 62.300 -0.473 0.000 0.862 578 V CB 1.331 32.999 31.823 -0.257 0.000 1.008 578 V HN 0.907 nan 8.190 nan 0.000 0.428 579 S N 4.678 120.089 115.700 -0.481 0.000 2.611 579 S HA 0.605 5.075 4.470 -0.000 0.000 0.268 579 S C -0.568 174.037 174.600 0.009 0.000 1.156 579 S CA -0.341 57.667 58.200 -0.319 0.000 0.817 579 S CB 1.598 64.608 63.200 -0.315 0.000 1.122 579 S HN 0.537 nan 8.310 nan 0.000 0.466 580 F N 1.689 121.692 119.950 0.089 0.000 2.776 580 F HA 0.387 4.914 4.527 -0.000 0.000 0.300 580 F C 1.057 176.921 175.800 0.105 0.000 1.116 580 F CA 0.163 58.251 58.000 0.147 0.000 1.375 580 F CB -0.075 39.014 39.000 0.148 0.000 1.109 580 F HN 0.548 nan 8.300 nan 0.000 0.585 581 H N -0.158 119.042 119.070 0.217 0.000 2.469 581 H HA 0.363 4.919 4.556 -0.000 0.000 0.342 581 H C -0.346 175.121 175.328 0.232 0.000 1.115 581 H CA -0.672 55.465 56.048 0.149 0.000 1.204 581 H CB 2.097 31.931 29.762 0.120 0.000 1.492 581 H HN -0.190 nan 8.280 nan 0.000 0.499 582 V N 7.226 127.481 119.914 0.569 0.000 2.843 582 V HA 0.120 4.240 4.120 -0.000 0.000 0.305 582 V C -1.642 174.645 176.094 0.322 0.000 1.065 582 V CA -1.104 61.428 62.300 0.387 0.000 1.116 582 V CB 1.014 32.968 31.823 0.219 0.000 0.968 582 V HN 0.793 nan 8.190 nan 0.000 0.487 583 P HA 0.000 nan 4.420 nan 0.000 0.216 583 P CA 0.000 62.961 63.100 -0.232 0.000 0.800 583 P CB 0.000 31.302 31.700 -0.663 0.000 0.726