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 1pgf_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 0.000 176.136 176.094 0.070 0.000 1.182 33 V CA 0.000 62.336 62.300 0.059 0.000 1.235 33 V CB 0.000 31.867 31.823 0.074 0.000 1.184 34 N N 5.725 124.434 118.700 0.014 0.000 2.417 34 N HA 0.177 4.917 4.740 -0.000 0.000 0.272 34 N C -0.894 174.627 175.510 0.018 0.000 1.304 34 N CA -0.686 52.370 53.050 0.009 0.000 0.906 34 N CB 1.369 39.837 38.487 -0.031 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 0.949 178.204 177.300 -0.074 0.000 1.146 35 P CA 0.984 64.136 63.100 0.088 0.000 0.813 35 P CB 0.075 31.823 31.700 0.079 0.000 0.778 36 c N -0.979 117.562 118.600 -0.099 0.000 2.472 36 c HA -0.017 4.553 4.570 -0.000 0.000 0.278 36 c C 2.948 176.922 174.090 -0.194 0.000 1.447 36 c CA 0.265 56.521 56.329 -0.121 0.000 1.773 36 c CB -2.154 40.336 42.510 -0.032 0.000 1.793 36 c HN 0.352 nan 8.230 nan 0.000 0.544 37 c N -0.595 117.822 118.600 -0.306 0.000 2.432 37 c HA -0.105 4.465 4.570 -0.000 0.000 0.282 37 c C 2.047 175.571 174.090 -0.944 0.000 1.388 37 c CA 0.617 56.590 56.329 -0.593 0.000 1.777 37 c CB -1.685 40.487 42.510 -0.563 0.000 1.882 37 c HN 0.679 nan 8.230 nan 0.000 0.520 38 Y N -1.373 118.668 120.300 -0.432 0.000 2.578 38 Y HA 0.067 4.617 4.550 0.000 0.000 0.297 38 Y C 0.655 176.371 175.900 -0.306 0.000 1.176 38 Y CA 0.178 58.054 58.100 -0.373 0.000 1.315 38 Y CB -0.878 37.439 38.460 -0.238 0.000 1.031 38 Y HN 0.261 nan 8.280 nan 0.000 0.524 39 Y N -1.460 118.802 120.300 -0.063 0.000 3.037 39 Y HA -0.239 4.311 4.550 -0.000 0.000 0.204 39 Y C -1.207 174.647 175.900 -0.076 0.000 1.275 39 Y CA -0.404 57.646 58.100 -0.083 0.000 1.066 39 Y CB -2.138 36.274 38.460 -0.080 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 0.506 177.824 177.300 0.030 0.000 1.157 40 P CA 1.550 64.618 63.100 -0.052 0.000 0.868 40 P CB 0.015 31.515 31.700 -0.335 0.000 0.788 41 c N 3.186 121.815 118.600 0.048 0.000 2.624 41 c HA 0.248 4.818 4.570 -0.000 0.000 0.397 41 c C 1.060 175.134 174.090 -0.025 0.000 1.331 41 c CA -0.784 55.581 56.329 0.060 0.000 1.716 41 c CB -1.162 41.404 42.510 0.092 0.000 2.452 41 c HN 0.293 nan 8.230 nan 0.000 0.586 42 Q N 0.718 120.478 119.800 -0.067 0.000 2.316 42 Q HA 0.169 4.509 4.340 -0.000 0.000 0.215 42 Q C 0.538 176.402 176.000 -0.228 0.000 1.020 42 Q CA -0.239 55.404 55.803 -0.266 0.000 0.970 42 Q CB 0.132 28.634 28.738 -0.394 0.000 1.187 42 Q HN 0.925 nan 8.270 nan 0.000 0.546 43 H N 0.403 119.318 119.070 -0.258 0.000 2.594 43 H HA -0.236 4.320 4.556 -0.000 0.000 0.316 43 H C -0.157 175.099 175.328 -0.119 0.000 1.107 43 H CA 0.895 56.796 56.048 -0.246 0.000 1.133 43 H CB -1.772 27.701 29.762 -0.482 0.000 1.459 43 H HN 0.640 nan 8.280 nan 0.000 0.411 44 Q N -3.764 115.998 119.800 -0.063 0.000 2.385 44 Q HA -0.160 4.180 4.340 -0.000 0.000 0.215 44 Q C 1.091 177.098 176.000 0.012 0.000 0.671 44 Q CA 0.819 56.596 55.803 -0.043 0.000 1.335 44 Q CB -1.514 27.199 28.738 -0.042 0.000 1.425 44 Q HN 0.801 nan 8.270 nan 0.000 0.781 45 G N 0.575 109.394 108.800 0.032 0.000 2.554 45 G HA2 0.417 4.377 3.960 -0.000 0.000 0.238 45 G HA3 0.417 4.377 3.960 -0.000 0.000 0.238 45 G C -0.161 174.781 174.900 0.070 0.000 1.259 45 G CA -0.351 44.790 45.100 0.068 0.000 0.843 45 G HN 0.099 nan 8.290 nan 0.000 0.582 46 I N 0.477 121.106 120.570 0.098 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 0.135 0.000 0.991 46 I CA -0.411 60.955 61.300 0.110 0.000 1.227 46 I CB 1.673 39.754 38.000 0.134 0.000 1.366 46 I HN 0.387 nan 8.210 nan 0.000 0.466 47 c N 8.165 126.835 118.600 0.117 0.000 2.459 47 c HA 0.424 4.994 4.570 -0.000 0.000 0.358 47 c C 0.316 174.502 174.090 0.160 0.000 1.162 47 c CA -0.409 56.017 56.329 0.162 0.000 1.559 47 c CB -1.612 40.952 42.510 0.089 0.000 2.132 47 c HN 0.523 nan 8.230 nan 0.000 0.536 48 V N 7.299 127.348 119.914 0.224 0.000 2.481 48 V HA 0.433 4.553 4.120 -0.000 0.000 0.286 48 V C 0.404 176.612 176.094 0.190 0.000 1.042 48 V CA -0.590 61.797 62.300 0.145 0.000 0.928 48 V CB 1.396 33.320 31.823 0.167 0.000 0.986 48 V HN 0.778 nan 8.190 nan 0.000 0.462 49 R N 2.531 123.032 120.500 0.002 0.000 2.531 49 R HA 0.625 4.965 4.340 -0.000 0.000 0.273 49 R C -1.445 174.727 176.300 -0.214 0.000 1.070 49 R CA 0.032 56.156 56.100 0.041 0.000 1.112 49 R CB 0.678 30.971 30.300 -0.012 0.000 1.049 49 R HN 0.562 nan 8.270 nan 0.000 0.508 50 F N 1.333 121.318 119.950 0.058 0.000 2.608 50 F HA 0.450 4.977 4.527 0.000 0.000 0.309 50 F C 0.765 176.579 175.800 0.024 0.000 1.103 50 F CA 0.258 58.273 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 2.038 110.950 108.800 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 0.493 175.439 174.900 0.078 0.000 1.289 51 G CA 0.278 45.446 45.100 0.112 0.000 0.926 51 G HN 0.732 nan 8.290 nan 0.000 0.567 52 L N 0.865 122.127 121.223 0.065 0.000 2.249 52 L HA 0.220 4.560 4.340 -0.000 0.000 0.207 52 L C 2.244 179.154 176.870 0.068 0.000 1.090 52 L CA 1.630 56.502 54.840 0.054 0.000 0.802 52 L CB -0.137 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 0.864 177.246 176.300 0.137 0.000 1.140 53 D CA -0.230 53.828 54.000 0.096 0.000 0.830 53 D CB 0.498 41.340 40.800 0.071 0.000 1.055 53 D HN 0.140 nan 8.370 nan 0.000 0.512 54 R N -0.108 120.481 120.500 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 0.299 0.000 1.130 54 R CA -0.677 55.522 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 -2.448 117.951 120.300 0.164 0.000 2.641 55 Y HA 0.372 4.922 4.550 -0.000 0.000 0.333 55 Y C -1.933 174.076 175.900 0.182 0.000 1.174 55 Y CA -1.111 57.119 58.100 0.217 0.000 1.057 55 Y CB 1.512 40.054 38.460 0.136 0.000 1.322 55 Y HN 0.436 nan 8.280 nan 0.000 0.457 56 Q N 1.978 121.922 119.800 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 54.903 55.803 0.040 0.000 0.817 56 Q CB 2.927 31.640 28.738 -0.041 0.000 1.326 56 Q HN 0.894 nan 8.270 nan 0.000 0.423 57 c N 1.611 120.317 118.600 0.177 0.000 2.307 57 c HA 0.279 4.849 4.570 -0.000 0.000 0.340 57 c C 0.055 174.224 174.090 0.132 0.000 1.275 57 c CA -0.485 55.963 56.329 0.197 0.000 1.811 57 c CB 0.257 42.883 42.510 0.193 0.000 2.372 57 c HN 0.652 nan 8.230 nan 0.000 0.531 58 D N 2.066 122.546 120.400 0.133 0.000 2.411 58 D HA 0.224 4.864 4.640 -0.000 0.000 0.225 58 D C 0.211 176.568 176.300 0.095 0.000 1.156 58 D CA -0.345 53.719 54.000 0.107 0.000 0.874 58 D CB 0.527 41.394 40.800 0.111 0.000 1.034 58 D HN 0.641 nan 8.370 nan 0.000 0.502 59 c N 3.272 121.926 118.600 0.089 0.000 2.480 59 c HA 0.191 4.761 4.570 -0.000 0.000 0.317 59 c C 0.826 174.968 174.090 0.086 0.000 1.300 59 c CA -0.499 55.889 56.329 0.100 0.000 1.706 59 c CB -1.794 40.786 42.510 0.118 0.000 1.840 59 c HN 0.507 nan 8.230 nan 0.000 0.596 60 T N 1.893 116.487 114.554 0.068 0.000 2.831 60 T HA 0.063 4.413 4.350 -0.000 0.000 0.291 60 T C 0.894 175.623 174.700 0.049 0.000 0.981 60 T CA 0.581 62.712 62.100 0.052 0.000 1.174 60 T CB -0.045 68.848 68.868 0.041 0.000 0.929 60 T HN 0.629 nan 8.240 nan 0.000 0.532 61 R N 0.680 121.207 120.500 0.045 0.000 3.525 61 R HA -0.199 4.141 4.340 -0.000 0.000 0.276 61 R C 1.392 177.727 176.300 0.058 0.000 1.116 61 R CA 1.028 57.151 56.100 0.040 0.000 0.745 61 R CB -2.221 28.092 30.300 0.022 0.000 1.185 61 R HN 0.917 nan 8.270 nan 0.000 0.454 62 T N -5.252 109.360 114.554 0.096 0.000 3.037 62 T HA 0.297 4.647 4.350 -0.000 0.000 0.251 62 T C 1.454 176.279 174.700 0.208 0.000 1.079 62 T CA 0.684 62.879 62.100 0.158 0.000 1.067 62 T CB 1.059 70.054 68.868 0.210 0.000 0.948 62 T HN 0.685 nan 8.240 nan 0.000 0.496 63 G N 0.360 109.215 108.800 0.092 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 -0.250 174.420 174.900 -0.384 0.000 0.982 63 G CA 0.082 45.124 45.100 -0.096 0.000 0.641 63 G HN 0.617 nan 8.290 nan 0.000 0.527 64 Y N 0.436 120.713 120.300 -0.038 0.000 2.581 64 Y HA 0.704 5.254 4.550 -0.000 0.000 0.345 64 Y C 0.556 176.458 175.900 0.003 0.000 1.036 64 Y CA -0.396 57.679 58.100 -0.042 0.000 1.042 64 Y CB 2.145 40.559 38.460 -0.076 0.000 1.289 64 Y HN 0.424 nan 8.280 nan 0.000 0.471 65 S N -0.323 115.472 115.700 0.158 0.000 2.745 65 S HA 0.971 5.441 4.470 -0.000 0.000 0.306 65 S C -0.155 174.509 174.600 0.107 0.000 1.137 65 S CA -0.583 57.676 58.200 0.098 0.000 0.900 65 S CB 1.743 64.968 63.200 0.042 0.000 1.176 65 S HN 1.700 nan 8.310 nan 0.000 0.520 66 G N 0.441 109.282 108.800 0.067 0.000 2.619 66 G HA2 0.061 4.021 3.960 -0.000 0.000 0.686 66 G HA3 0.061 4.021 3.960 -0.000 0.000 0.686 66 G C -2.653 172.281 174.900 0.057 0.000 1.256 66 G CA -0.461 44.673 45.100 0.058 0.000 0.826 66 G HN 0.558 nan 8.290 nan 0.000 0.619 67 P HA -0.022 nan 4.420 nan 0.000 0.218 67 P C 1.076 178.434 177.300 0.098 0.000 1.146 67 P CA 1.476 64.592 63.100 0.027 0.000 0.813 67 P CB 0.106 31.810 31.700 0.007 0.000 0.778 68 N N -2.783 115.987 118.700 0.115 0.000 2.238 68 N HA 0.087 4.827 4.740 -0.000 0.000 0.235 68 N C -0.625 174.955 175.510 0.116 0.000 1.209 68 N CA -0.063 53.069 53.050 0.137 0.000 0.879 68 N CB -0.201 38.358 38.487 0.120 0.000 1.136 68 N HN -0.027 nan 8.380 nan 0.000 0.517 69 c N 0.815 119.495 118.600 0.133 0.000 4.067 69 c HA -0.106 4.464 4.570 -0.000 0.000 0.305 69 c C 1.573 175.778 174.090 0.191 0.000 1.305 69 c CA 0.940 57.374 56.329 0.175 0.000 2.111 69 c CB -3.070 39.531 42.510 0.151 0.000 1.339 69 c HN 0.558 nan 8.230 nan 0.000 0.668 70 T N -3.760 110.918 114.554 0.208 0.000 2.958 70 T HA 0.353 4.703 4.350 -0.000 0.000 0.256 70 T C 0.319 175.229 174.700 0.350 0.000 0.983 70 T CA 0.027 62.266 62.100 0.231 0.000 0.924 70 T CB 0.387 69.348 68.868 0.155 0.000 1.136 70 T HN 0.632 nan 8.240 nan 0.000 0.506 71 I N 4.982 125.724 120.570 0.286 0.000 2.301 71 I HA 0.315 4.486 4.170 -0.000 0.000 0.292 71 I C -2.247 173.932 176.117 0.104 0.000 1.046 71 I CA -2.540 58.862 61.300 0.171 0.000 1.282 71 I CB 1.120 39.164 38.000 0.075 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 -0.722 176.427 177.300 -0.252 0.000 1.266 72 P CA -0.385 62.441 63.100 -0.457 0.000 0.793 72 P CB 0.999 32.516 31.700 -0.304 0.000 1.074 73 E N -0.223 119.814 120.200 -0.271 0.000 2.248 73 E HA 0.154 4.504 4.350 -0.000 0.000 0.272 73 E C 1.010 177.523 176.600 -0.145 0.000 1.008 73 E CA -0.817 55.491 56.400 -0.153 0.000 0.856 73 E CB 0.854 30.510 29.700 -0.074 0.000 1.120 73 E HN 0.233 nan 8.360 nan 0.000 0.397 74 I N 1.216 121.631 120.570 -0.258 0.000 2.185 74 I HA -0.265 3.905 4.170 -0.000 0.000 0.246 74 I C 1.249 177.164 176.117 -0.336 0.000 1.088 74 I CA 1.666 62.739 61.300 -0.378 0.000 1.347 74 I CB -0.188 37.413 38.000 -0.665 0.000 1.041 74 I HN 0.634 nan 8.210 nan 0.000 0.415 75 W N -0.252 121.074 121.300 0.042 0.000 2.407 75 W HA -0.138 4.522 4.660 0.000 0.000 0.305 75 W C 2.662 179.180 176.519 -0.002 0.000 1.196 75 W CA 1.368 58.728 57.345 0.025 0.000 1.311 75 W CB -1.341 28.116 29.460 -0.005 0.000 1.135 75 W HN -0.094 nan 8.180 nan 0.000 0.514 76 T N -0.147 114.474 114.554 0.112 0.000 2.699 76 T HA -0.306 4.044 4.350 -0.000 0.000 0.268 76 T C 1.179 175.864 174.700 -0.026 0.000 1.036 76 T CA 1.845 63.926 62.100 -0.030 0.000 1.147 76 T CB -0.752 67.954 68.868 -0.271 0.000 0.862 76 T HN 0.306 nan 8.240 nan 0.000 0.446 77 W N 1.702 122.910 121.300 -0.153 0.000 2.333 77 W HA -0.086 4.574 4.660 0.000 0.000 0.316 77 W C 1.844 178.330 176.519 -0.054 0.000 1.215 77 W CA 0.992 58.269 57.345 -0.113 0.000 1.278 77 W CB -0.735 28.637 29.460 -0.147 0.000 1.154 77 W HN 0.175 nan 8.180 nan 0.000 0.486 78 L N 0.145 121.304 121.223 -0.107 0.000 1.970 78 L HA -0.267 4.072 4.340 -0.000 0.000 0.212 78 L C 2.794 179.536 176.870 -0.213 0.000 1.071 78 L CA 2.071 56.768 54.840 -0.239 0.000 0.751 78 L CB -1.304 40.784 42.059 0.048 0.000 0.889 78 L HN -0.031 nan 8.230 nan 0.000 0.432 79 R N -0.135 120.334 120.500 -0.052 0.000 2.140 79 R HA -0.253 4.087 4.340 -0.000 0.000 0.250 79 R C 2.317 178.568 176.300 -0.082 0.000 1.150 79 R CA 2.527 58.610 56.100 -0.028 0.000 0.966 79 R CB -0.339 29.978 30.300 0.028 0.000 0.869 79 R HN 0.631 nan 8.270 nan 0.000 0.445 80 T N -3.255 111.216 114.554 -0.139 0.000 2.939 80 T HA -0.050 4.300 4.350 -0.000 0.000 0.254 80 T C 1.926 176.494 174.700 -0.222 0.000 1.041 80 T CA 1.119 63.142 62.100 -0.128 0.000 1.142 80 T CB -0.499 68.335 68.868 -0.057 0.000 0.874 80 T HN 0.416 nan 8.240 nan 0.000 0.452 81 T N 0.666 114.955 114.554 -0.441 0.000 2.977 81 T HA 0.047 4.397 4.350 -0.000 0.000 0.271 81 T C 1.363 175.876 174.700 -0.312 0.000 1.105 81 T CA 0.630 62.441 62.100 -0.482 0.000 1.116 81 T CB -0.488 67.817 68.868 -0.938 0.000 0.878 81 T HN 0.243 nan 8.240 nan 0.000 0.509 82 L N -0.071 121.004 121.223 -0.247 0.000 2.693 82 L HA 0.398 4.738 4.340 -0.000 0.000 0.235 82 L C 1.018 177.830 176.870 -0.096 0.000 1.127 82 L CA -0.008 54.740 54.840 -0.154 0.000 0.914 82 L CB -0.179 41.807 42.059 -0.120 0.000 1.193 82 L HN 0.090 nan 8.230 nan 0.000 0.502 83 R N 2.378 122.828 120.500 -0.083 0.000 2.242 83 R HA 0.230 4.570 4.340 -0.000 0.000 0.334 83 R C -1.948 174.336 176.300 -0.026 0.000 1.071 83 R CA -1.447 54.634 56.100 -0.031 0.000 0.922 83 R CB 0.223 30.516 30.300 -0.012 0.000 1.023 83 R HN 0.035 nan 8.270 nan 0.000 0.458 84 P HA -0.024 nan 4.420 nan 0.000 0.271 84 P C -0.092 177.259 177.300 0.084 0.000 1.220 84 P CA -0.199 62.896 63.100 -0.008 0.000 0.768 84 P CB 1.020 32.755 31.700 0.059 0.000 0.848 85 S N 3.732 119.474 115.700 0.071 0.000 2.553 85 S HA -0.005 4.465 4.470 -0.000 0.000 0.271 85 S C -1.482 173.209 174.600 0.151 0.000 1.362 85 S CA -0.503 57.757 58.200 0.100 0.000 1.010 85 S CB -0.627 62.628 63.200 0.091 0.000 0.865 85 S HN 0.292 nan 8.310 nan 0.000 0.543 86 P HA -0.065 nan 4.420 nan 0.000 0.215 86 P C 1.711 179.076 177.300 0.109 0.000 1.157 86 P CA 1.691 64.865 63.100 0.123 0.000 0.868 86 P CB -0.239 31.533 31.700 0.120 0.000 0.788 87 S N -0.678 115.084 115.700 0.105 0.000 2.365 87 S HA -0.230 4.240 4.470 -0.000 0.000 0.225 87 S C 1.738 176.407 174.600 0.115 0.000 1.039 87 S CA 1.432 59.670 58.200 0.064 0.000 1.033 87 S CB -1.531 61.740 63.200 0.119 0.000 0.887 87 S HN 0.131 nan 8.310 nan 0.000 0.447 88 F N 2.529 122.491 119.950 0.021 0.000 2.134 88 F HA -0.088 4.439 4.527 0.000 0.000 0.299 88 F C 1.836 177.683 175.800 0.078 0.000 1.097 88 F CA 0.972 58.972 58.000 0.000 0.000 1.264 88 F CB -0.251 38.725 39.000 -0.039 0.000 1.001 88 F HN 0.061 nan 8.300 nan 0.000 0.479 89 I N -0.060 120.544 120.570 0.057 0.000 2.163 89 I HA -0.278 3.892 4.170 -0.000 0.000 0.240 89 I C 2.318 178.344 176.117 -0.152 0.000 1.081 89 I CA 1.737 63.008 61.300 -0.048 0.000 1.353 89 I CB -2.014 36.040 38.000 0.089 0.000 1.054 89 I HN 0.234 nan 8.210 nan 0.000 0.407 90 H N 0.281 119.252 119.070 -0.166 0.000 2.557 90 H HA -0.214 4.342 4.556 -0.000 0.000 0.287 90 H C 1.882 176.990 175.328 -0.368 0.000 1.043 90 H CA 1.090 56.973 56.048 -0.276 0.000 1.226 90 H CB -0.097 29.493 29.762 -0.287 0.000 1.361 90 H HN 0.274 nan 8.280 nan 0.000 0.592 91 F N -0.614 119.090 119.950 -0.410 0.000 2.164 91 F HA -0.028 4.499 4.527 0.000 0.000 0.287 91 F C 1.557 177.048 175.800 -0.516 0.000 1.086 91 F CA 0.500 58.244 58.000 -0.427 0.000 1.249 91 F CB -0.417 38.421 39.000 -0.270 0.000 1.059 91 F HN 0.089 nan 8.300 nan 0.000 0.490 92 L N 0.913 122.076 121.223 -0.101 0.000 1.990 92 L HA -0.230 4.110 4.340 -0.000 0.000 0.213 92 L C 2.345 179.150 176.870 -0.108 0.000 1.072 92 L CA 1.728 56.533 54.840 -0.059 0.000 0.755 92 L CB -1.526 40.474 42.059 -0.099 0.000 0.889 92 L HN 0.219 nan 8.230 nan 0.000 0.432 93 L N -0.713 120.229 121.223 -0.469 0.000 2.549 93 L HA -0.142 4.198 4.340 -0.000 0.000 0.230 93 L C 1.574 177.696 176.870 -1.245 0.000 1.162 93 L CA 1.319 55.578 54.840 -0.968 0.000 0.834 93 L CB -0.617 40.401 42.059 -1.734 0.000 0.947 93 L HN 0.527 nan 8.230 nan 0.000 0.452 94 T N -5.432 108.439 114.554 -1.139 0.000 3.132 94 T HA 0.219 4.569 4.350 -0.000 0.000 0.274 94 T C 0.252 174.363 174.700 -0.982 0.000 1.011 94 T CA -0.449 60.852 62.100 -1.333 0.000 0.899 94 T CB -0.023 68.129 68.868 -1.193 0.000 1.089 94 T HN 0.020 nan 8.240 nan 0.000 0.543 95 H N -0.145 118.787 119.070 -0.230 0.000 2.928 95 H HA 0.615 5.171 4.556 -0.000 0.000 0.371 95 H C 0.962 176.523 175.328 0.388 0.000 1.186 95 H CA -0.686 55.438 56.048 0.128 0.000 1.134 95 H CB 1.367 30.907 29.762 -0.370 0.000 1.824 95 H HN 0.232 nan 8.280 nan 0.000 0.554 96 G N 1.571 110.527 108.800 0.260 0.000 2.212 96 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.255 96 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.255 96 G C 1.414 176.077 174.900 -0.395 0.000 1.062 96 G CA 0.787 45.733 45.100 -0.256 0.000 0.815 96 G HN 0.603 nan 8.290 nan 0.000 0.497 97 R N 0.205 120.470 120.500 -0.391 0.000 2.196 97 R HA -0.221 4.119 4.340 -0.000 0.000 0.259 97 R C 2.558 178.696 176.300 -0.270 0.000 1.154 97 R CA 3.386 59.028 56.100 -0.762 0.000 0.976 97 R CB -0.738 29.080 30.300 -0.803 0.000 0.888 97 R HN 0.979 nan 8.270 nan 0.000 0.453 98 W N -0.275 120.948 121.300 -0.129 0.000 2.355 98 W HA -0.168 4.492 4.660 -0.000 0.000 0.309 98 W C 1.652 178.148 176.519 -0.039 0.000 1.206 98 W CA 0.809 58.112 57.345 -0.070 0.000 1.284 98 W CB -1.263 28.155 29.460 -0.070 0.000 1.145 98 W HN 0.225 nan 8.180 nan 0.000 0.502 99 L N 0.162 120.763 121.223 -1.037 0.000 2.046 99 L HA -0.078 4.262 4.340 -0.000 0.000 0.208 99 L C 2.495 179.087 176.870 -0.463 0.000 1.077 99 L CA 2.255 56.500 54.840 -0.991 0.000 0.747 99 L CB -0.802 40.258 42.059 -1.667 0.000 0.896 99 L HN -0.065 nan 8.230 nan 0.000 0.432 100 W N 0.159 121.289 121.300 -0.284 0.000 2.358 100 W HA -0.198 4.462 4.660 0.000 0.000 0.303 100 W C 2.372 178.860 176.519 -0.051 0.000 1.208 100 W CA 0.969 58.242 57.345 -0.120 0.000 1.274 100 W CB -0.303 29.116 29.460 -0.067 0.000 1.138 100 W HN 0.170 nan 8.180 nan 0.000 0.515 101 D N -0.287 120.213 120.400 0.165 0.000 2.149 101 D HA -0.250 4.390 4.640 -0.000 0.000 0.194 101 D C 1.719 178.109 176.300 0.149 0.000 1.001 101 D CA 1.637 55.718 54.000 0.136 0.000 0.849 101 D CB -0.860 40.008 40.800 0.113 0.000 0.939 101 D HN 0.112 nan 8.370 nan 0.000 0.449 102 F N 1.482 121.444 119.950 0.019 0.000 2.060 102 F HA -0.208 4.319 4.527 -0.000 0.000 0.295 102 F C 2.283 178.066 175.800 -0.029 0.000 1.120 102 F CA 1.075 59.075 58.000 -0.000 0.000 1.205 102 F CB -0.628 38.369 39.000 -0.006 0.000 0.986 102 F HN -0.210 nan 8.300 nan 0.000 0.470 103 V N 1.525 121.381 119.914 -0.098 0.000 2.231 103 V HA -0.429 3.691 4.120 -0.000 0.000 0.250 103 V C 2.245 178.247 176.094 -0.154 0.000 1.058 103 V CA 2.380 64.557 62.300 -0.206 0.000 1.022 103 V CB -1.120 30.681 31.823 -0.037 0.000 0.640 103 V HN 0.427 nan 8.190 nan 0.000 0.445 104 N N 0.314 119.036 118.700 0.037 0.000 2.322 104 N HA -0.178 4.561 4.740 -0.000 0.000 0.189 104 N C 1.490 176.966 175.510 -0.057 0.000 1.012 104 N CA 1.725 54.796 53.050 0.034 0.000 0.880 104 N CB -0.314 38.227 38.487 0.090 0.000 0.967 104 N HN 0.606 nan 8.380 nan 0.000 0.439 105 A N -0.219 122.511 122.820 -0.149 0.000 2.267 105 A HA 0.090 4.410 4.320 -0.000 0.000 0.213 105 A C 1.289 178.729 177.584 -0.239 0.000 1.192 105 A CA 0.371 52.315 52.037 -0.154 0.000 0.851 105 A CB -0.046 18.884 19.000 -0.116 0.000 0.881 105 A HN 0.375 nan 8.150 nan 0.000 0.494 106 T N -3.618 110.702 114.554 -0.390 0.000 2.888 106 T HA 0.443 4.793 4.350 -0.000 0.000 0.283 106 T C 0.919 175.452 174.700 -0.279 0.000 1.013 106 T CA 0.085 61.928 62.100 -0.429 0.000 0.938 106 T CB 0.261 68.668 68.868 -0.767 0.000 1.298 106 T HN 0.580 nan 8.240 nan 0.000 0.580 107 F N -0.552 119.346 119.950 -0.087 0.000 2.456 107 F HA 0.305 4.832 4.527 -0.000 0.000 0.298 107 F C 1.834 177.621 175.800 -0.022 0.000 1.104 107 F CA -0.047 57.928 58.000 -0.041 0.000 1.435 107 F CB -1.206 37.779 39.000 -0.025 0.000 1.078 107 F HN 0.373 nan 8.300 nan 0.000 0.546 108 I N 1.097 121.191 120.570 -0.794 0.000 2.502 108 I HA -0.314 3.856 4.170 -0.000 0.000 0.258 108 I C 2.785 178.864 176.117 -0.062 0.000 1.172 108 I CA 1.553 62.627 61.300 -0.377 0.000 1.430 108 I CB -0.638 37.070 38.000 -0.487 0.000 1.086 108 I HN 0.245 nan 8.210 nan 0.000 0.440 109 R N 1.150 121.620 120.500 -0.050 0.000 2.081 109 R HA -0.201 4.139 4.340 -0.000 0.000 0.235 109 R C 1.683 178.015 176.300 0.054 0.000 1.131 109 R CA 2.118 58.238 56.100 0.032 0.000 0.960 109 R CB -0.116 30.196 30.300 0.020 0.000 0.856 109 R HN 0.290 nan 8.270 nan 0.000 0.436 110 D N -0.400 120.039 120.400 0.065 0.000 2.091 110 D HA -0.083 4.557 4.640 -0.000 0.000 0.199 110 D C 1.828 178.176 176.300 0.080 0.000 0.980 110 D CA 1.840 55.879 54.000 0.065 0.000 0.831 110 D CB -0.706 40.139 40.800 0.074 0.000 0.987 110 D HN 0.179 nan 8.370 nan 0.000 0.460 111 T N 1.834 116.468 114.554 0.133 0.000 2.620 111 T HA -0.194 4.156 4.350 -0.000 0.000 0.267 111 T C 2.107 176.867 174.700 0.099 0.000 1.044 111 T CA 1.106 63.291 62.100 0.141 0.000 1.161 111 T CB -0.527 68.474 68.868 0.222 0.000 0.862 111 T HN 0.106 nan 8.240 nan 0.000 0.438 112 L N -0.030 121.252 121.223 0.098 0.000 1.948 112 L HA -0.121 4.219 4.340 -0.000 0.000 0.212 112 L C 2.687 179.603 176.870 0.077 0.000 1.074 112 L CA 1.851 56.751 54.840 0.101 0.000 0.753 112 L CB -0.775 41.365 42.059 0.136 0.000 0.888 112 L HN 0.259 nan 8.230 nan 0.000 0.432 113 M N 0.420 120.059 119.600 0.066 0.000 2.124 113 M HA -0.326 4.154 4.480 -0.000 0.000 0.253 113 M C 2.449 178.763 176.300 0.023 0.000 1.077 113 M CA 2.271 57.597 55.300 0.042 0.000 1.085 113 M CB -0.363 32.257 32.600 0.033 0.000 1.320 113 M HN 0.136 nan 8.290 nan 0.000 0.404 114 R N -0.052 120.458 120.500 0.018 0.000 2.094 114 R HA -0.225 4.115 4.340 -0.000 0.000 0.239 114 R C 2.208 178.511 176.300 0.006 0.000 1.137 114 R CA 2.370 58.467 56.100 -0.005 0.000 0.943 114 R CB -0.934 29.368 30.300 0.003 0.000 0.850 114 R HN 0.584 nan 8.270 nan 0.000 0.433 115 L N 0.514 121.757 121.223 0.032 0.000 2.043 115 L HA -0.198 4.142 4.340 -0.000 0.000 0.212 115 L C 2.394 179.287 176.870 0.039 0.000 1.075 115 L CA 1.426 56.290 54.840 0.040 0.000 0.752 115 L CB -0.283 41.811 42.059 0.059 0.000 0.891 115 L HN 0.193 nan 8.230 nan 0.000 0.432 116 V N -0.455 119.485 119.914 0.043 0.000 2.255 116 V HA -0.333 3.787 4.120 -0.000 0.000 0.247 116 V C 2.420 178.528 176.094 0.024 0.000 1.051 116 V CA 1.897 64.223 62.300 0.043 0.000 1.018 116 V CB -0.325 31.526 31.823 0.046 0.000 0.641 116 V HN 0.322 nan 8.190 nan 0.000 0.445 117 L N 0.345 121.568 121.223 -0.001 0.000 1.990 117 L HA -0.199 4.141 4.340 -0.000 0.000 0.213 117 L C 2.864 179.727 176.870 -0.012 0.000 1.072 117 L CA 2.924 57.743 54.840 -0.034 0.000 0.755 117 L CB -1.580 40.417 42.059 -0.103 0.000 0.889 117 L HN 0.683 nan 8.230 nan 0.000 0.432 118 T N -3.814 110.737 114.554 -0.005 0.000 2.643 118 T HA -0.159 4.191 4.350 -0.000 0.000 0.264 118 T C 1.917 176.646 174.700 0.048 0.000 1.045 118 T CA 1.602 63.723 62.100 0.034 0.000 1.155 118 T CB -1.081 67.804 68.868 0.029 0.000 0.863 118 T HN 0.056 nan 8.240 nan 0.000 0.420 119 V N 1.979 121.915 119.914 0.037 0.000 2.255 119 V HA -0.179 3.941 4.120 -0.000 0.000 0.247 119 V C 3.022 179.136 176.094 0.032 0.000 1.051 119 V CA 2.320 64.641 62.300 0.035 0.000 1.018 119 V CB -0.887 30.961 31.823 0.041 0.000 0.641 119 V HN 0.417 nan 8.190 nan 0.000 0.445 120 R N 0.177 120.698 120.500 0.036 0.000 2.103 120 R HA -0.175 4.165 4.340 -0.000 0.000 0.242 120 R C 2.519 178.829 176.300 0.016 0.000 1.142 120 R CA 2.038 58.157 56.100 0.030 0.000 0.960 120 R CB -0.470 29.848 30.300 0.030 0.000 0.858 120 R HN 0.513 nan 8.270 nan 0.000 0.439 121 S N 0.616 116.341 115.700 0.043 0.000 2.402 121 S HA -0.073 4.397 4.470 -0.000 0.000 0.229 121 S C 1.385 175.974 174.600 -0.018 0.000 1.021 121 S CA 1.185 59.414 58.200 0.049 0.000 0.974 121 S CB -0.329 63.000 63.200 0.216 0.000 0.800 121 S HN 0.425 nan 8.310 nan 0.000 0.484 122 N N 1.977 120.670 118.700 -0.012 0.000 2.192 122 N HA -0.058 4.682 4.740 -0.000 0.000 0.188 122 N C 1.385 176.832 175.510 -0.105 0.000 1.013 122 N CA 0.649 53.669 53.050 -0.050 0.000 0.863 122 N CB -0.545 37.926 38.487 -0.026 0.000 0.990 122 N HN 0.262 nan 8.380 nan 0.000 0.430 123 L N 0.294 121.446 121.223 -0.118 0.000 2.261 123 L HA -0.044 4.296 4.340 -0.000 0.000 0.216 123 L C 0.332 177.020 176.870 -0.304 0.000 1.114 123 L CA 0.944 55.653 54.840 -0.218 0.000 0.777 123 L CB -0.483 41.493 42.059 -0.139 0.000 0.910 123 L HN 0.088 nan 8.230 nan 0.000 0.440 124 I N 1.786 122.216 120.570 -0.233 0.000 2.339 124 I HA 0.270 4.440 4.170 -0.000 0.000 0.290 124 I C -1.915 174.097 176.117 -0.176 0.000 0.994 124 I CA -2.662 58.496 61.300 -0.236 0.000 1.191 124 I CB 1.135 38.997 38.000 -0.230 0.000 1.343 124 I HN -0.087 nan 8.210 nan 0.000 0.458 125 P HA 0.276 nan 4.420 nan 0.000 0.275 125 P C -0.621 176.597 177.300 -0.137 0.000 1.227 125 P CA -0.197 62.817 63.100 -0.144 0.000 0.781 125 P CB 1.433 33.045 31.700 -0.147 0.000 0.906 126 S N 2.313 117.927 115.700 -0.144 0.000 2.562 126 S HA 0.414 4.884 4.470 -0.000 0.000 0.274 126 S C -2.539 171.990 174.600 -0.119 0.000 1.160 126 S CA -0.789 57.329 58.200 -0.137 0.000 0.933 126 S CB 1.162 64.247 63.200 -0.191 0.000 1.100 126 S HN 0.450 nan 8.310 nan 0.000 0.468 127 P HA 0.287 nan 4.420 nan 0.000 0.271 127 P C -2.696 174.567 177.300 -0.061 0.000 1.233 127 P CA -1.021 62.065 63.100 -0.024 0.000 0.789 127 P CB -0.697 31.046 31.700 0.073 0.000 0.951 128 P HA -0.067 nan 4.420 nan 0.000 0.269 128 P C 0.506 177.714 177.300 -0.152 0.000 1.211 128 P CA 0.283 63.325 63.100 -0.097 0.000 0.781 128 P CB 0.428 32.071 31.700 -0.096 0.000 0.877 129 T N -1.098 113.299 114.554 -0.262 0.000 3.571 129 T HA 0.166 4.516 4.350 -0.000 0.000 0.217 129 T C 0.499 174.891 174.700 -0.513 0.000 0.925 129 T CA 0.252 62.046 62.100 -0.509 0.000 1.376 129 T CB -0.663 67.673 68.868 -0.887 0.000 1.375 129 T HN 0.271 nan 8.240 nan 0.000 0.404 130 Y N 3.403 123.669 120.300 -0.056 0.000 2.392 130 Y HA 0.699 5.249 4.550 -0.000 0.000 0.323 130 Y C 0.625 176.443 175.900 -0.137 0.000 1.291 130 Y CA -1.318 56.719 58.100 -0.105 0.000 1.345 130 Y CB 0.444 38.849 38.460 -0.092 0.000 1.320 130 Y HN 0.677 nan 8.280 nan 0.000 0.518 131 N N -0.932 117.742 118.700 -0.043 0.000 2.972 131 N HA 0.169 4.909 4.740 -0.000 0.000 0.262 131 N C -0.033 175.382 175.510 -0.159 0.000 1.478 131 N CA -0.711 52.243 53.050 -0.161 0.000 0.841 131 N CB 0.348 38.577 38.487 -0.430 0.000 1.512 131 N HN 0.542 nan 8.380 nan 0.000 0.548 132 I N 0.031 120.532 120.570 -0.115 0.000 2.315 132 I HA -0.125 4.045 4.170 -0.000 0.000 0.251 132 I C 1.787 177.853 176.117 -0.085 0.000 1.125 132 I CA 2.087 63.338 61.300 -0.083 0.000 1.392 132 I CB -0.787 37.152 38.000 -0.102 0.000 1.065 132 I HN 0.741 nan 8.210 nan 0.000 0.424 133 A N -1.828 120.879 122.820 -0.188 0.000 2.095 133 A HA 0.070 4.390 4.320 -0.000 0.000 0.212 133 A C 0.290 177.781 177.584 -0.156 0.000 1.162 133 A CA 0.518 52.444 52.037 -0.186 0.000 0.753 133 A CB -0.335 18.509 19.000 -0.260 0.000 0.840 133 A HN 0.493 nan 8.150 nan 0.000 0.468 134 H N 0.221 119.077 119.070 -0.356 0.000 2.823 134 H HA 0.324 4.880 4.556 -0.000 0.000 0.332 134 H C -1.408 173.610 175.328 -0.516 0.000 0.980 134 H CA -1.469 54.170 56.048 -0.682 0.000 1.286 134 H CB 1.045 30.310 29.762 -0.828 0.000 1.541 134 H HN 0.145 nan 8.280 nan 0.000 0.521 135 D N 3.921 124.085 120.400 -0.393 0.000 2.889 135 D HA 0.090 4.730 4.640 -0.000 0.000 0.243 135 D C -0.258 175.949 176.300 -0.154 0.000 1.270 135 D CA 0.219 54.028 54.000 -0.318 0.000 0.838 135 D CB -0.028 40.631 40.800 -0.235 0.000 1.040 135 D HN 0.474 nan 8.370 nan 0.000 0.480 136 Y N -2.841 117.631 120.300 0.286 0.000 2.624 136 Y HA 0.451 5.001 4.550 -0.000 0.000 0.334 136 Y C -0.566 175.531 175.900 0.327 0.000 1.155 136 Y CA -1.534 56.765 58.100 0.332 0.000 1.046 136 Y CB 0.165 38.678 38.460 0.088 0.000 1.316 136 Y HN -0.319 nan 8.280 nan 0.000 0.457 137 I N 2.822 123.613 120.570 0.367 0.000 2.754 137 I HA 0.437 4.607 4.170 -0.000 0.000 0.285 137 I C 0.288 176.544 176.117 0.232 0.000 1.166 137 I CA 1.027 62.411 61.300 0.141 0.000 1.417 137 I CB 1.012 39.047 38.000 0.057 0.000 1.382 137 I HN 0.789 nan 8.210 nan 0.000 0.588 138 S N 5.240 121.039 115.700 0.164 0.000 2.558 138 S HA 0.108 4.578 4.470 -0.000 0.000 0.277 138 S C 0.106 174.830 174.600 0.205 0.000 1.143 138 S CA -0.973 57.363 58.200 0.227 0.000 0.865 138 S CB 0.289 63.654 63.200 0.275 0.000 1.102 138 S HN 0.817 nan 8.310 nan 0.000 0.454 139 W N 2.226 123.613 121.300 0.145 0.000 2.338 139 W HA -0.151 4.509 4.660 -0.000 0.000 0.304 139 W C 1.603 178.257 176.519 0.224 0.000 1.212 139 W CA 2.556 60.009 57.345 0.179 0.000 1.264 139 W CB -0.260 29.277 29.460 0.128 0.000 1.142 139 W HN 1.075 nan 8.180 nan 0.000 0.512 140 E N 0.234 120.584 120.200 0.251 0.000 2.110 140 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 140 E C 2.259 178.852 176.600 -0.012 0.000 0.988 140 E CA 2.096 58.597 56.400 0.168 0.000 0.804 140 E CB -0.647 29.222 29.700 0.282 0.000 0.745 140 E HN 0.005 nan 8.360 nan 0.000 0.458 141 S N -1.125 114.567 115.700 -0.013 0.000 2.355 141 S HA -0.129 4.341 4.470 -0.000 0.000 0.222 141 S C 1.643 176.135 174.600 -0.179 0.000 1.031 141 S CA 1.077 59.175 58.200 -0.171 0.000 0.993 141 S CB -0.602 62.538 63.200 -0.100 0.000 0.859 141 S HN 0.520 nan 8.310 nan 0.000 0.453 142 F N 2.381 122.136 119.950 -0.324 0.000 2.269 142 F HA -0.042 4.485 4.527 0.000 0.000 0.301 142 F C 2.240 177.761 175.800 -0.465 0.000 1.082 142 F CA 1.824 59.563 58.000 -0.436 0.000 1.360 142 F CB -0.313 38.309 39.000 -0.630 0.000 1.041 142 F HN 0.378 nan 8.300 nan 0.000 0.512 143 S N -1.437 113.900 115.700 -0.605 0.000 2.514 143 S HA 0.095 4.565 4.470 -0.000 0.000 0.223 143 S C 0.816 175.269 174.600 -0.245 0.000 1.046 143 S CA -0.243 57.633 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 2.380 121.025 118.700 -0.092 0.000 2.448 144 N HA 0.171 4.911 4.740 -0.000 0.000 0.250 144 N C 0.412 175.973 175.510 0.084 0.000 1.136 144 N CA 0.059 53.156 53.050 0.078 0.000 0.953 144 N CB 1.038 39.709 38.487 0.306 0.000 1.251 144 N HN 0.122 nan 8.380 nan 0.000 0.502 145 V N 2.649 122.553 119.914 -0.016 0.000 3.510 145 V HA -0.068 4.053 4.120 -0.000 0.000 0.270 145 V C 1.684 177.865 176.094 0.146 0.000 1.201 145 V CA 0.956 63.239 62.300 -0.029 0.000 1.166 145 V CB -0.415 31.335 31.823 -0.123 0.000 0.825 145 V HN 0.584 nan 8.190 nan 0.000 0.484 146 S N -1.161 114.605 115.700 0.109 0.000 2.489 146 S HA 0.087 4.557 4.470 -0.000 0.000 0.228 146 S C 0.436 175.088 174.600 0.087 0.000 0.995 146 S CA 0.240 58.472 58.200 0.054 0.000 0.934 146 S CB -0.138 63.037 63.200 -0.041 0.000 0.771 146 S HN 0.592 nan 8.310 nan 0.000 0.522 147 Y N 0.196 120.544 120.300 0.080 0.000 2.301 147 Y HA 0.368 4.918 4.550 0.000 0.000 0.325 147 Y C 0.136 176.008 175.900 -0.047 0.000 1.203 147 Y CA -0.937 57.116 58.100 -0.079 0.000 1.255 147 Y CB 0.338 38.728 38.460 -0.116 0.000 1.232 147 Y HN 0.041 nan 8.280 nan 0.000 0.501 148 Y N 0.488 120.851 120.300 0.105 0.000 2.307 148 Y HA 0.237 4.787 4.550 -0.000 0.000 0.324 148 Y C 0.882 176.826 175.900 0.074 0.000 1.238 148 Y CA -0.267 57.889 58.100 0.093 0.000 1.280 148 Y CB 1.242 39.702 38.460 0.000 0.000 1.248 148 Y HN 0.588 nan 8.280 nan 0.000 0.508 149 T N 2.167 116.879 114.554 0.263 0.000 2.880 149 T HA 0.755 5.105 4.350 -0.000 0.000 0.279 149 T C -0.919 173.861 174.700 0.134 0.000 0.990 149 T CA -0.724 61.454 62.100 0.130 0.000 0.938 149 T CB 0.553 69.473 68.868 0.088 0.000 1.206 149 T HN 0.763 nan 8.240 nan 0.000 0.573 150 R N 0.574 121.148 120.500 0.122 0.000 2.643 150 R HA 0.457 4.797 4.340 -0.000 0.000 0.269 150 R C 0.169 176.592 176.300 0.205 0.000 1.037 150 R CA -0.858 55.330 56.100 0.146 0.000 0.894 150 R CB 0.496 30.858 30.300 0.103 0.000 1.238 150 R HN 0.356 nan 8.270 nan 0.000 0.459 151 I N 1.201 121.920 120.570 0.249 0.000 2.584 151 I HA 0.123 4.293 4.170 -0.000 0.000 0.255 151 I C 0.609 176.806 176.117 0.134 0.000 1.145 151 I CA 0.664 62.086 61.300 0.204 0.000 1.462 151 I CB -0.805 37.375 38.000 0.300 0.000 1.102 151 I HN 0.496 nan 8.210 nan 0.000 0.433 152 L N 3.062 124.335 121.223 0.082 0.000 2.385 152 L HA 0.409 4.749 4.340 -0.000 0.000 0.273 152 L C -2.287 174.534 176.870 -0.082 0.000 0.990 152 L CA -1.783 53.009 54.840 -0.080 0.000 0.821 152 L CB 2.276 44.138 42.059 -0.328 0.000 1.279 152 L HN -0.146 nan 8.230 nan 0.000 0.412 153 P HA 0.006 nan 4.420 nan 0.000 0.271 153 P C -0.212 176.991 177.300 -0.161 0.000 1.238 153 P CA -0.243 62.649 63.100 -0.348 0.000 0.794 153 P CB 0.697 32.069 31.700 -0.548 0.000 0.959 154 S N -0.212 115.421 115.700 -0.111 0.000 2.617 154 S HA 0.140 4.610 4.470 -0.000 0.000 0.259 154 S C 0.239 174.843 174.600 0.007 0.000 1.301 154 S CA -0.733 57.444 58.200 -0.037 0.000 0.984 154 S CB -0.060 63.126 63.200 -0.023 0.000 0.954 154 S HN 0.250 nan 8.310 nan 0.000 0.572 155 V N 3.530 123.477 119.914 0.055 0.000 2.415 155 V HA 0.259 4.379 4.120 -0.000 0.000 0.267 155 V C -2.078 174.048 176.094 0.052 0.000 1.042 155 V CA -1.519 60.850 62.300 0.116 0.000 1.000 155 V CB -0.087 31.817 31.823 0.134 0.000 1.015 155 V HN 0.770 nan 8.190 nan 0.000 0.478 156 P HA -0.033 nan 4.420 nan 0.000 0.261 156 P C 0.717 178.019 177.300 0.003 0.000 1.158 156 P CA 0.409 63.514 63.100 0.008 0.000 0.758 156 P CB 0.310 32.001 31.700 -0.014 0.000 0.763 157 R N 2.303 122.810 120.500 0.010 0.000 2.328 157 R HA -0.087 4.253 4.340 -0.000 0.000 0.207 157 R C 0.541 176.842 176.300 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 29.925 30.300 0.020 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 -0.008 0.000 2.559 158 D HA 0.045 4.685 4.640 -0.000 0.000 0.234 158 D C -0.135 176.142 176.300 -0.039 0.000 1.226 158 D CA -0.452 53.540 54.000 -0.014 0.000 0.830 158 D CB -0.443 40.353 40.800 -0.006 0.000 1.028 158 D HN -0.050 nan 8.370 nan 0.000 0.492 159 c N 0.821 119.387 118.600 -0.056 0.000 2.398 159 c HA 0.338 4.908 4.570 -0.000 0.000 0.364 159 c C -0.640 173.402 174.090 -0.080 0.000 1.219 159 c CA -1.042 55.224 56.329 -0.105 0.000 2.312 159 c CB 1.615 44.041 42.510 -0.141 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 -0.039 0.000 1.163 160 P CA 1.599 64.663 63.100 -0.061 0.000 0.889 160 P CB -0.043 31.612 31.700 -0.075 0.000 0.790 161 T N -6.858 107.668 114.554 -0.047 0.000 2.950 161 T HA 0.399 4.749 4.350 -0.000 0.000 0.288 161 T C -2.244 172.458 174.700 0.003 0.000 1.035 161 T CA -2.379 59.716 62.100 -0.009 0.000 1.028 161 T CB 1.452 70.324 68.868 0.006 0.000 1.109 161 T HN -0.251 nan 8.240 nan 0.000 0.514 162 P HA -0.046 nan 4.420 nan 0.000 0.218 162 P C 1.110 178.457 177.300 0.078 0.000 1.146 162 P CA 1.222 64.355 63.100 0.055 0.000 0.813 162 P CB 0.016 31.761 31.700 0.075 0.000 0.778 163 M N -2.545 117.109 119.600 0.090 0.000 2.419 163 M HA 0.331 4.811 4.480 -0.000 0.000 0.252 163 M C 1.222 177.587 176.300 0.107 0.000 1.143 163 M CA 0.470 55.851 55.300 0.136 0.000 0.985 163 M CB -0.126 32.569 32.600 0.159 0.000 1.489 163 M HN 0.062 nan 8.290 nan 0.000 0.484 164 G N 0.663 109.450 108.800 -0.021 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 0.694 175.420 174.900 -0.291 0.000 1.707 164 G CA 0.249 45.209 45.100 -0.232 0.000 1.299 164 G HN 0.189 nan 8.290 nan 0.000 0.515 165 T N 2.059 116.410 114.554 -0.338 0.000 3.000 165 T HA 0.318 4.668 4.350 -0.000 0.000 0.248 165 T C 0.938 175.580 174.700 -0.096 0.000 1.034 165 T CA 1.326 63.253 62.100 -0.289 0.000 1.060 165 T CB -0.013 68.580 68.868 -0.458 0.000 0.983 165 T HN 0.453 nan 8.240 nan 0.000 0.482 166 K N 0.542 120.921 120.400 -0.035 0.000 2.245 166 K HA 0.625 4.945 4.320 -0.000 0.000 0.234 166 K C 0.429 177.072 176.600 0.071 0.000 1.021 166 K CA -0.501 55.807 56.287 0.034 0.000 0.898 166 K CB 1.528 34.063 32.500 0.059 0.000 1.163 166 K HN 0.254 nan 8.250 nan 0.000 0.459 167 G N 0.878 109.738 108.800 0.100 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 -0.988 173.971 174.900 0.097 0.000 1.357 167 G CA -0.666 44.516 45.100 0.137 0.000 0.866 167 G HN 0.494 nan 8.290 nan 0.000 0.548 168 K N 0.032 120.492 120.400 0.099 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 0.048 0.000 1.004 168 K CA -0.816 55.505 56.287 0.058 0.000 0.919 168 K CB 1.012 33.534 32.500 0.037 0.000 1.045 168 K HN 0.340 nan 8.250 nan 0.000 0.471 169 K N 0.851 121.268 120.400 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 0.020 0.000 1.041 169 K CA 0.940 57.239 56.287 0.021 0.000 0.970 169 K CB 0.163 32.670 32.500 0.012 0.000 0.773 169 K HN 0.447 nan 8.250 nan 0.000 0.479 170 Q N 0.290 120.100 119.800 0.016 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 0.007 0.000 1.074 170 Q CA -0.556 55.251 55.803 0.007 0.000 0.808 170 Q CB 1.519 30.250 28.738 -0.013 0.000 1.327 170 Q HN -0.130 nan 8.270 nan 0.000 0.441 171 L N 4.113 125.344 121.223 0.014 0.000 2.344 171 L HA 0.613 4.953 4.340 -0.000 0.000 0.272 171 L C -2.103 174.732 176.870 -0.059 0.000 1.035 171 L CA -1.990 52.855 54.840 0.009 0.000 0.807 171 L CB 0.826 42.934 42.059 0.082 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 -0.993 176.301 177.300 -0.010 0.000 1.175 172 P CA -0.060 62.949 63.100 -0.151 0.000 0.761 172 P CB 0.197 31.692 31.700 -0.341 0.000 0.794 173 D N 2.365 122.779 120.400 0.023 0.000 2.451 173 D HA 0.098 4.738 4.640 -0.000 0.000 0.254 173 D C 1.313 177.695 176.300 0.137 0.000 1.204 173 D CA 0.312 54.350 54.000 0.064 0.000 0.896 173 D CB 0.507 41.333 40.800 0.043 0.000 1.136 173 D HN 0.342 nan 8.370 nan 0.000 0.499 174 A N 4.130 127.009 122.820 0.098 0.000 1.884 174 A HA -0.310 4.010 4.320 -0.000 0.000 0.219 174 A C 1.985 179.639 177.584 0.116 0.000 1.197 174 A CA 2.134 54.232 52.037 0.102 0.000 0.637 174 A CB -0.849 18.190 19.000 0.065 0.000 0.827 174 A HN 0.776 nan 8.150 nan 0.000 0.450 175 E N -0.788 119.478 120.200 0.109 0.000 2.065 175 E HA -0.247 4.103 4.350 -0.000 0.000 0.201 175 E C 1.704 178.385 176.600 0.134 0.000 1.016 175 E CA 2.051 58.515 56.400 0.107 0.000 0.818 175 E CB -0.573 29.185 29.700 0.096 0.000 0.749 175 E HN 0.589 nan 8.360 nan 0.000 0.453 176 F N 0.121 120.083 119.950 0.020 0.000 2.102 176 F HA -0.125 4.402 4.527 -0.000 0.000 0.298 176 F C 2.003 177.834 175.800 0.052 0.000 1.105 176 F CA 1.390 59.397 58.000 0.012 0.000 1.239 176 F CB -0.544 38.454 39.000 -0.004 0.000 0.991 176 F HN 0.229 nan 8.300 nan 0.000 0.474 177 L N 0.146 121.451 121.223 0.136 0.000 2.079 177 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 177 L C 2.406 179.350 176.870 0.124 0.000 1.081 177 L CA 2.059 56.995 54.840 0.160 0.000 0.752 177 L CB -1.323 40.858 42.059 0.203 0.000 0.896 177 L HN 0.180 nan 8.230 nan 0.000 0.433 178 S N -0.455 115.291 115.700 0.077 0.000 2.368 178 S HA -0.118 4.352 4.470 -0.000 0.000 0.224 178 S C 1.882 176.476 174.600 -0.010 0.000 1.029 178 S CA 1.200 59.439 58.200 0.065 0.000 0.988 178 S CB -0.213 63.029 63.200 0.071 0.000 0.838 178 S HN 0.506 nan 8.310 nan 0.000 0.462 179 R N 0.855 121.302 120.500 -0.088 0.000 2.115 179 R HA 0.141 4.481 4.340 -0.000 0.000 0.226 179 R C 2.379 178.513 176.300 -0.276 0.000 1.100 179 R CA 0.577 56.592 56.100 -0.143 0.000 0.980 179 R CB -0.161 30.067 30.300 -0.119 0.000 0.875 179 R HN 0.264 nan 8.270 nan 0.000 0.445 180 R N 0.130 120.336 120.500 -0.489 0.000 2.062 180 R HA 0.002 4.342 4.340 -0.000 0.000 0.226 180 R C 1.419 177.237 176.300 -0.803 0.000 1.125 180 R CA 1.263 56.871 56.100 -0.819 0.000 0.966 180 R CB -0.019 29.449 30.300 -1.386 0.000 0.861 180 R HN 0.250 nan 8.270 nan 0.000 0.433 181 F N -1.003 118.833 119.950 -0.190 0.000 2.728 181 F HA 0.260 4.787 4.527 -0.000 0.000 0.314 181 F C 1.712 177.455 175.800 -0.093 0.000 1.094 181 F CA -0.010 57.914 58.000 -0.127 0.000 1.217 181 F CB 0.345 39.279 39.000 -0.111 0.000 1.056 181 F HN -0.174 nan 8.300 nan 0.000 0.577 182 L N -0.764 120.508 121.223 0.082 0.000 2.717 182 L HA 0.287 4.627 4.340 -0.000 0.000 0.239 182 L C 0.547 177.432 176.870 0.025 0.000 1.086 182 L CA 0.051 54.922 54.840 0.052 0.000 0.897 182 L CB 0.684 42.789 42.059 0.077 0.000 1.214 182 L HN -0.021 nan 8.230 nan 0.000 0.508 183 L N 2.781 124.003 121.223 -0.001 0.000 2.584 183 L HA 0.012 4.352 4.340 -0.000 0.000 0.272 183 L C 0.883 177.753 176.870 0.000 0.000 1.195 183 L CA 0.220 55.060 54.840 0.000 0.000 0.920 183 L CB 0.399 42.438 42.059 -0.033 0.000 1.173 183 L HN 0.251 nan 8.230 nan 0.000 0.489 184 R N 4.876 125.396 120.500 0.033 0.000 2.421 184 R HA 0.022 4.362 4.340 -0.000 0.000 0.305 184 R C 0.568 176.888 176.300 0.033 0.000 1.039 184 R CA 0.180 56.302 56.100 0.036 0.000 1.003 184 R CB 0.550 30.899 30.300 0.081 0.000 0.959 184 R HN 0.735 nan 8.270 nan 0.000 0.427 185 R N 2.406 122.910 120.500 0.008 0.000 2.072 185 R HA 0.094 4.434 4.340 -0.000 0.000 0.214 185 R C -0.036 176.280 176.300 0.027 0.000 1.168 185 R CA 0.707 56.807 56.100 -0.000 0.000 1.020 185 R CB 0.193 30.476 30.300 -0.027 0.000 0.914 185 R HN 0.231 nan 8.270 nan 0.000 0.449 186 K N 0.307 120.725 120.400 0.030 0.000 2.397 186 K HA 0.194 4.514 4.320 -0.000 0.000 0.253 186 K C -1.562 175.092 176.600 0.090 0.000 0.932 186 K CA -0.781 55.542 56.287 0.062 0.000 0.795 186 K CB 1.053 33.572 32.500 0.032 0.000 1.159 186 K HN -0.126 nan 8.250 nan 0.000 0.424 187 F N 5.458 125.397 119.950 -0.018 0.000 2.590 187 F HA 0.214 4.741 4.527 0.000 0.000 0.389 187 F C -0.293 175.485 175.800 -0.038 0.000 1.049 187 F CA 0.273 58.257 58.000 -0.026 0.000 1.199 187 F CB 0.122 39.103 39.000 -0.032 0.000 1.058 187 F HN 0.401 nan 8.300 nan 0.000 0.556 188 I N 9.582 129.786 120.570 -0.611 0.000 2.330 188 I HA 0.257 4.427 4.170 -0.000 0.000 0.286 188 I C -2.089 173.520 176.117 -0.847 0.000 1.025 188 I CA -2.114 58.893 61.300 -0.488 0.000 1.197 188 I CB 0.865 38.676 38.000 -0.314 0.000 1.358 188 I HN 0.435 nan 8.210 nan 0.000 0.467 189 P HA 0.033 nan 4.420 nan 0.000 0.275 189 P C -0.727 176.402 177.300 -0.285 0.000 1.228 189 P CA -0.266 62.598 63.100 -0.395 0.000 0.786 189 P CB 0.998 32.787 31.700 0.148 0.000 0.927 190 D N 4.523 124.755 120.400 -0.280 0.000 2.363 190 D HA 0.007 4.647 4.640 -0.000 0.000 0.263 190 D C -0.935 175.230 176.300 -0.225 0.000 1.258 190 D CA -1.669 52.159 54.000 -0.287 0.000 0.907 190 D CB 0.294 40.873 40.800 -0.367 0.000 1.107 190 D HN 0.184 nan 8.370 nan 0.000 0.495 191 P HA -0.246 nan 4.420 nan 0.000 0.217 191 P C 0.841 178.055 177.300 -0.143 0.000 1.148 191 P CA 1.320 64.342 63.100 -0.130 0.000 0.834 191 P CB 0.208 31.847 31.700 -0.101 0.000 0.783 192 Q N -1.403 118.265 119.800 -0.219 0.000 2.369 192 Q HA 0.101 4.441 4.340 -0.000 0.000 0.206 192 Q C 1.416 177.179 176.000 -0.395 0.000 0.963 192 Q CA 0.931 56.581 55.803 -0.255 0.000 0.894 192 Q CB -0.293 28.271 28.738 -0.290 0.000 0.965 192 Q HN 0.365 nan 8.270 nan 0.000 0.475 193 G N 0.689 109.250 108.800 -0.398 0.000 2.148 193 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.203 193 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.203 193 G C 0.094 174.691 174.900 -0.505 0.000 0.993 193 G CA -0.007 44.779 45.100 -0.522 0.000 0.661 193 G HN 0.258 nan 8.290 nan 0.000 0.518 194 T N 1.764 116.020 114.554 -0.498 0.000 2.928 194 T HA 0.447 4.797 4.350 -0.000 0.000 0.305 194 T C 0.656 175.192 174.700 -0.275 0.000 1.035 194 T CA 0.814 62.578 62.100 -0.560 0.000 1.145 194 T CB 1.012 69.319 68.868 -0.935 0.000 0.963 194 T HN 0.864 nan 8.240 nan 0.000 0.545 195 N N 1.894 120.526 118.700 -0.114 0.000 2.619 195 N HA 0.347 5.087 4.740 -0.000 0.000 0.294 195 N C 0.747 176.314 175.510 0.095 0.000 1.279 195 N CA -1.234 51.849 53.050 0.055 0.000 0.867 195 N CB 0.393 38.996 38.487 0.193 0.000 1.329 195 N HN 0.366 nan 8.380 nan 0.000 0.557 196 L N -1.101 120.183 121.223 0.102 0.000 2.362 196 L HA 0.001 4.341 4.340 -0.000 0.000 0.219 196 L C 2.004 178.963 176.870 0.148 0.000 1.134 196 L CA 0.842 55.648 54.840 -0.057 0.000 0.807 196 L CB -0.475 41.470 42.059 -0.191 0.000 0.927 196 L HN 0.582 nan 8.230 nan 0.000 0.447 197 M N 0.218 120.079 119.600 0.435 0.000 2.159 197 M HA -0.236 4.244 4.480 -0.000 0.000 0.263 197 M C 2.019 178.760 176.300 0.734 0.000 1.063 197 M CA 1.889 57.582 55.300 0.655 0.000 1.110 197 M CB -0.424 32.526 32.600 0.583 0.000 1.374 197 M HN 0.218 nan 8.290 nan 0.000 0.411 198 F N 0.379 120.514 119.950 0.308 0.000 2.163 198 F HA 0.139 4.666 4.527 -0.000 0.000 0.297 198 F C 1.973 177.722 175.800 -0.086 0.000 1.094 198 F CA 1.231 59.155 58.000 -0.127 0.000 1.290 198 F CB -1.026 37.763 39.000 -0.351 0.000 1.017 198 F HN 0.151 nan 8.300 nan 0.000 0.483 199 A N 0.712 123.732 122.820 0.334 0.000 1.851 199 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 199 A C 2.082 179.657 177.584 -0.015 0.000 1.195 199 A CA 2.051 54.145 52.037 0.095 0.000 0.622 199 A CB -1.644 17.252 19.000 -0.175 0.000 0.831 199 A HN 0.414 nan 8.150 nan 0.000 0.444 200 F N -1.552 118.484 119.950 0.144 0.000 2.216 200 F HA -0.057 4.470 4.527 0.000 0.000 0.300 200 F C 1.966 177.762 175.800 -0.007 0.000 1.085 200 F CA 0.720 58.771 58.000 0.086 0.000 1.326 200 F CB -0.935 38.156 39.000 0.152 0.000 1.027 200 F HN 0.324 nan 8.300 nan 0.000 0.497 201 F N 0.756 120.720 119.950 0.024 0.000 2.171 201 F HA -0.107 4.420 4.527 0.000 0.000 0.300 201 F C 2.330 178.046 175.800 -0.139 0.000 1.090 201 F CA 0.986 58.768 58.000 -0.364 0.000 1.293 201 F CB -0.767 38.106 39.000 -0.213 0.000 1.013 201 F HN -0.071 nan 8.300 nan 0.000 0.486 202 A N -0.137 122.765 122.820 0.136 0.000 1.883 202 A HA -0.297 4.023 4.320 -0.000 0.000 0.217 202 A C 2.211 179.814 177.584 0.031 0.000 1.186 202 A CA 1.947 54.090 52.037 0.177 0.000 0.624 202 A CB -1.157 17.901 19.000 0.096 0.000 0.822 202 A HN 0.566 nan 8.150 nan 0.000 0.444 203 Q N -1.328 118.452 119.800 -0.034 0.000 2.002 203 Q HA -0.294 4.046 4.340 -0.000 0.000 0.204 203 Q C 2.029 177.864 176.000 -0.275 0.000 0.988 203 Q CA 2.272 57.954 55.803 -0.202 0.000 0.843 203 Q CB -0.359 28.272 28.738 -0.177 0.000 0.908 203 Q HN 0.818 nan 8.270 nan 0.000 0.420 204 H N -0.390 118.463 119.070 -0.362 0.000 2.257 204 H HA -0.243 4.313 4.556 -0.000 0.000 0.292 204 H C 1.642 176.932 175.328 -0.062 0.000 1.075 204 H CA 2.463 58.290 56.048 -0.367 0.000 1.212 204 H CB -0.879 28.574 29.762 -0.514 0.000 1.354 204 H HN 0.435 nan 8.280 nan 0.000 0.497 205 F N 1.095 120.886 119.950 -0.265 0.000 2.192 205 F HA -0.232 4.295 4.527 -0.000 0.000 0.301 205 F C 2.443 177.754 175.800 -0.816 0.000 1.079 205 F CA 2.287 60.037 58.000 -0.417 0.000 1.303 205 F CB -0.810 38.050 39.000 -0.234 0.000 1.024 205 F HN 0.397 nan 8.300 nan 0.000 0.494 206 T N -3.125 110.888 114.554 -0.901 0.000 2.942 206 T HA -0.134 4.216 4.350 -0.000 0.000 0.265 206 T C 1.335 175.552 174.700 -0.804 0.000 1.062 206 T CA 1.353 62.676 62.100 -1.294 0.000 1.139 206 T CB -0.773 67.699 68.868 -0.659 0.000 0.883 206 T HN 0.347 nan 8.240 nan 0.000 0.468 207 H N 1.753 120.534 119.070 -0.483 0.000 2.556 207 H HA 0.199 4.755 4.556 -0.000 0.000 0.273 207 H C 2.142 177.288 175.328 -0.305 0.000 1.030 207 H CA 0.459 56.391 56.048 -0.193 0.000 1.156 207 H CB -0.295 29.554 29.762 0.145 0.000 1.326 207 H HN 0.762 nan 8.280 nan 0.000 0.609 208 Q N -0.343 119.109 119.800 -0.580 0.000 2.378 208 Q HA 0.010 4.350 4.340 -0.000 0.000 0.216 208 Q C 0.218 175.908 176.000 -0.516 0.000 0.892 208 Q CA 0.365 55.760 55.803 -0.680 0.000 0.931 208 Q CB 0.248 28.204 28.738 -1.304 0.000 1.086 208 Q HN 0.362 nan 8.270 nan 0.000 0.528 209 F N -2.126 117.480 119.950 -0.573 0.000 2.817 209 F HA 0.564 5.091 4.527 0.000 0.000 0.319 209 F C -1.058 174.475 175.800 -0.446 0.000 1.136 209 F CA -1.962 55.714 58.000 -0.541 0.000 1.177 209 F CB 0.377 39.018 39.000 -0.598 0.000 1.088 209 F HN -0.187 nan 8.300 nan 0.000 0.520 210 F N 2.274 122.203 119.950 -0.035 0.000 2.612 210 F HA 0.595 5.122 4.527 -0.000 0.000 0.332 210 F C -0.059 175.635 175.800 -0.176 0.000 1.167 210 F CA -1.775 56.178 58.000 -0.078 0.000 0.970 210 F CB 1.989 40.811 39.000 -0.297 0.000 1.234 210 F HN 0.054 nan 8.300 nan 0.000 0.453 211 K N 2.188 122.667 120.400 0.130 0.000 3.204 211 K HA 0.185 4.505 4.320 -0.000 0.000 0.196 211 K C -0.938 175.690 176.600 0.047 0.000 1.229 211 K CA -0.039 56.253 56.287 0.008 0.000 0.820 211 K CB 0.639 33.102 32.500 -0.061 0.000 1.130 211 K HN 0.550 nan 8.250 nan 0.000 0.569 212 T N 0.930 115.560 114.554 0.126 0.000 2.867 212 T HA -0.047 4.303 4.350 -0.000 0.000 0.297 212 T C 0.411 175.162 174.700 0.084 0.000 0.989 212 T CA 0.406 62.605 62.100 0.164 0.000 1.159 212 T CB 1.108 70.090 68.868 0.190 0.000 0.928 212 T HN 0.278 nan 8.240 nan 0.000 0.538 213 S N 2.882 118.628 115.700 0.076 0.000 2.503 213 S HA 0.230 4.699 4.470 -0.000 0.000 0.317 213 S C 1.746 176.377 174.600 0.052 0.000 1.162 213 S CA -0.469 57.755 58.200 0.040 0.000 1.124 213 S CB -0.410 62.794 63.200 0.006 0.000 1.207 213 S HN 0.865 nan 8.310 nan 0.000 0.538 214 G N 5.004 113.825 108.800 0.036 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 1.623 176.530 174.900 0.012 0.000 1.127 214 G CA 0.557 45.674 45.100 0.028 0.000 0.766 214 G HN 0.739 nan 8.290 nan 0.000 0.552 215 K N 0.135 120.530 120.400 -0.008 0.000 2.155 215 K HA 0.133 4.453 4.320 -0.000 0.000 0.203 215 K C 2.144 178.706 176.600 -0.062 0.000 1.052 215 K CA 0.631 56.898 56.287 -0.034 0.000 0.948 215 K CB -0.426 32.045 32.500 -0.047 0.000 0.728 215 K HN 0.365 nan 8.250 nan 0.000 0.448 216 M N 0.395 119.948 119.600 -0.079 0.000 2.501 216 M HA 0.123 4.603 4.480 -0.000 0.000 0.261 216 M C 0.502 176.839 176.300 0.061 0.000 1.129 216 M CA 0.682 55.880 55.300 -0.172 0.000 1.126 216 M CB 0.321 32.643 32.600 -0.464 0.000 1.359 216 M HN 0.399 nan 8.290 nan 0.000 0.471 217 G N 0.805 109.691 108.800 0.143 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 -3.222 171.816 174.900 0.229 0.000 1.290 217 G CA -1.375 43.834 45.100 0.182 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 1.129 178.442 177.300 0.023 0.000 1.230 218 P CA 1.860 65.007 63.100 0.079 0.000 0.788 218 P CB 0.888 32.596 31.700 0.014 0.000 0.949 219 G N -0.833 107.985 108.800 0.030 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 -0.236 174.493 174.900 -0.285 0.000 0.990 219 G CA -0.402 44.636 45.100 -0.103 0.000 0.627 219 G HN 0.384 nan 8.290 nan 0.000 0.522 220 F N 1.041 121.055 119.950 0.106 0.000 2.469 220 F HA 0.756 5.283 4.527 0.000 0.000 0.332 220 F C 0.527 176.179 175.800 -0.247 0.000 1.103 220 F CA -0.297 57.618 58.000 -0.142 0.000 0.979 220 F CB 2.354 41.249 39.000 -0.175 0.000 1.137 220 F HN 0.035 nan 8.300 nan 0.000 0.463 221 T N 1.587 115.954 114.554 -0.310 0.000 2.908 221 T HA 0.366 4.716 4.350 -0.000 0.000 0.290 221 T C 0.515 175.082 174.700 -0.221 0.000 1.034 221 T CA -0.594 61.240 62.100 -0.444 0.000 1.010 221 T CB 1.298 69.591 68.868 -0.958 0.000 1.068 221 T HN 0.716 nan 8.240 nan 0.000 0.481 222 K N 1.749 122.052 120.400 -0.162 0.000 2.354 222 K HA 0.305 4.625 4.320 -0.000 0.000 0.194 222 K C 0.897 177.420 176.600 -0.128 0.000 1.038 222 K CA -0.009 56.210 56.287 -0.114 0.000 1.052 222 K CB 0.528 32.983 32.500 -0.076 0.000 0.861 222 K HN 0.545 nan 8.250 nan 0.000 0.535 223 A N 2.406 125.117 122.820 -0.181 0.000 3.118 223 A HA 0.226 4.546 4.320 -0.000 0.000 0.256 223 A C 0.112 177.582 177.584 -0.191 0.000 1.667 223 A CA -0.337 51.594 52.037 -0.178 0.000 1.338 223 A CB -0.880 18.009 19.000 -0.186 0.000 1.127 223 A HN 0.157 nan 8.150 nan 0.000 0.634 224 L N 0.187 121.365 121.223 -0.076 0.000 2.499 224 L HA 0.424 4.764 4.340 -0.000 0.000 0.273 224 L C 1.455 178.385 176.870 0.099 0.000 1.195 224 L CA 0.869 55.763 54.840 0.090 0.000 0.882 224 L CB 0.299 42.385 42.059 0.044 0.000 1.133 224 L HN 0.684 nan 8.230 nan 0.000 0.483 225 G N 0.318 109.257 108.800 0.233 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 0.330 175.334 174.900 0.174 0.000 1.093 225 G CA -0.165 45.003 45.100 0.113 0.000 0.852 225 G HN 0.794 nan 8.290 nan 0.000 0.453 226 H N 1.256 120.299 119.070 -0.044 0.000 2.557 226 H HA -0.075 4.481 4.556 -0.000 0.000 0.319 226 H C 1.065 176.361 175.328 -0.053 0.000 1.102 226 H CA 1.615 57.635 56.048 -0.046 0.000 1.126 226 H CB -1.410 28.319 29.762 -0.055 0.000 1.498 226 H HN 1.876 nan 8.280 nan 0.000 0.411 227 G N -1.515 107.324 108.800 0.064 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 -0.556 174.418 174.900 0.123 0.000 1.269 227 G CA -0.340 44.810 45.100 0.083 0.000 0.873 227 G HN 0.158 nan 8.290 nan 0.000 0.494 228 V N 2.352 122.353 119.914 0.146 0.000 2.054 228 V HA 0.183 4.303 4.120 -0.000 0.000 0.243 228 V C 0.870 177.003 176.094 0.066 0.000 1.480 228 V CA 1.037 63.397 62.300 0.101 0.000 1.440 228 V CB -0.287 31.667 31.823 0.218 0.000 1.489 228 V HN 0.732 nan 8.190 nan 0.000 0.502 229 D N 1.914 122.319 120.400 0.009 0.000 2.349 229 D HA 0.019 4.659 4.640 -0.000 0.000 0.214 229 D C 0.973 177.316 176.300 0.071 0.000 1.063 229 D CA -0.518 53.514 54.000 0.055 0.000 0.847 229 D CB 0.232 41.060 40.800 0.046 0.000 0.933 229 D HN 0.238 nan 8.370 nan 0.000 0.513 230 L N 0.136 121.335 121.223 -0.039 0.000 3.865 230 L HA -0.140 4.200 4.340 -0.000 0.000 0.408 230 L C 1.622 178.544 176.870 0.088 0.000 1.209 230 L CA 0.638 55.477 54.840 -0.001 0.000 0.940 230 L CB -1.814 40.342 42.059 0.162 0.000 1.971 230 L HN 0.336 nan 8.230 nan 0.000 0.899 231 G N -1.070 107.704 108.800 -0.043 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 1.108 175.990 174.900 -0.030 0.000 1.137 231 G CA 0.644 45.749 45.100 0.007 0.000 0.787 231 G HN 0.807 nan 8.290 nan 0.000 0.534 232 H N -0.579 118.328 119.070 -0.272 0.000 2.551 232 H HA 0.278 4.834 4.556 0.000 0.000 0.266 232 H C 1.802 176.932 175.328 -0.330 0.000 0.977 232 H CA -0.328 55.490 56.048 -0.383 0.000 1.163 232 H CB -0.335 29.158 29.762 -0.448 0.000 1.381 232 H HN 0.422 nan 8.280 nan 0.000 0.581 233 I N -0.931 119.578 120.570 -0.103 0.000 2.947 233 I HA -0.050 4.120 4.170 -0.000 0.000 0.263 233 I C 1.117 176.959 176.117 -0.458 0.000 1.130 233 I CA 0.218 61.265 61.300 -0.420 0.000 1.448 233 I CB 0.112 37.680 38.000 -0.720 0.000 1.222 233 I HN 0.004 nan 8.210 nan 0.000 0.453 234 Y N 1.344 121.665 120.300 0.036 0.000 2.500 234 Y HA 0.451 5.001 4.550 -0.000 0.000 0.270 234 Y C 1.112 177.033 175.900 0.035 0.000 1.134 234 Y CA 0.120 58.261 58.100 0.067 0.000 1.293 234 Y CB -0.165 38.387 38.460 0.154 0.000 1.063 234 Y HN 0.151 nan 8.280 nan 0.000 0.534 235 G N 0.936 109.785 108.800 0.081 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 -0.326 174.581 174.900 0.012 0.000 1.214 235 G CA -0.328 44.783 45.100 0.019 0.000 0.796 235 G HN 0.301 nan 8.290 nan 0.000 0.654 236 D N 0.036 120.413 120.400 -0.037 0.000 2.336 236 D HA 0.066 4.706 4.640 -0.000 0.000 0.228 236 D C 0.464 176.742 176.300 -0.037 0.000 1.120 236 D CA 0.492 54.467 54.000 -0.043 0.000 0.839 236 D CB -0.240 40.517 40.800 -0.073 0.000 0.932 236 D HN 0.835 nan 8.370 nan 0.000 0.509 237 N N -0.275 118.405 118.700 -0.034 0.000 2.815 237 N HA -0.009 4.731 4.740 -0.000 0.000 0.253 237 N C 0.464 175.921 175.510 -0.088 0.000 1.202 237 N CA -0.697 52.320 53.050 -0.056 0.000 0.925 237 N CB 1.236 39.686 38.487 -0.062 0.000 1.622 237 N HN -0.187 nan 8.380 nan 0.000 0.497 238 L N 0.977 122.111 121.223 -0.147 0.000 1.991 238 L HA -0.307 4.033 4.340 -0.000 0.000 0.221 238 L C 1.868 178.508 176.870 -0.383 0.000 1.079 238 L CA 2.422 57.072 54.840 -0.318 0.000 0.778 238 L CB -0.430 41.410 42.059 -0.365 0.000 0.893 238 L HN 0.669 nan 8.230 nan 0.000 0.437 239 E N -0.578 119.484 120.200 -0.231 0.000 2.065 239 E HA -0.293 4.057 4.350 -0.000 0.000 0.201 239 E C 2.149 178.735 176.600 -0.024 0.000 1.016 239 E CA 1.740 58.073 56.400 -0.111 0.000 0.818 239 E CB -0.352 29.316 29.700 -0.054 0.000 0.749 239 E HN 0.349 nan 8.360 nan 0.000 0.453 240 R N 0.408 120.889 120.500 -0.031 0.000 2.092 240 R HA -0.160 4.180 4.340 -0.000 0.000 0.231 240 R C 2.415 178.739 176.300 0.040 0.000 1.119 240 R CA 1.599 57.702 56.100 0.005 0.000 0.970 240 R CB -0.090 30.199 30.300 -0.018 0.000 0.864 240 R HN 0.322 nan 8.270 nan 0.000 0.440 241 Q N -0.579 119.239 119.800 0.030 0.000 2.050 241 Q HA -0.209 4.131 4.340 -0.000 0.000 0.202 241 Q C 1.338 177.426 176.000 0.148 0.000 0.980 241 Q CA 1.411 57.270 55.803 0.094 0.000 0.840 241 Q CB -0.153 28.633 28.738 0.080 0.000 0.898 241 Q HN 0.390 nan 8.270 nan 0.000 0.424 242 Y N 0.665 120.968 120.300 0.006 0.000 2.403 242 Y HA -0.164 4.386 4.550 0.000 0.000 0.291 242 Y C 2.297 178.248 175.900 0.086 0.000 1.143 242 Y CA 1.181 59.345 58.100 0.105 0.000 1.257 242 Y CB -0.459 38.145 38.460 0.240 0.000 0.984 242 Y HN 0.310 nan 8.280 nan 0.000 0.550 243 Q N -0.488 119.430 119.800 0.197 0.000 2.096 243 Q HA -0.026 4.314 4.340 -0.000 0.000 0.197 243 Q C 1.828 177.860 176.000 0.054 0.000 0.964 243 Q CA 0.930 56.803 55.803 0.116 0.000 0.838 243 Q CB -0.280 28.505 28.738 0.078 0.000 0.906 243 Q HN 0.279 nan 8.270 nan 0.000 0.444 244 L N 0.020 121.266 121.223 0.038 0.000 2.478 244 L HA 0.100 4.440 4.340 -0.000 0.000 0.223 244 L C 0.330 177.182 176.870 -0.029 0.000 1.140 244 L CA 0.916 55.771 54.840 0.024 0.000 0.842 244 L CB -0.301 41.792 42.059 0.056 0.000 0.953 244 L HN 0.003 nan 8.230 nan 0.000 0.452 245 R N -0.596 119.798 120.500 -0.176 0.000 2.410 245 R HA 0.152 4.492 4.340 -0.000 0.000 0.288 245 R C 1.176 177.225 176.300 -0.420 0.000 1.051 245 R CA -0.317 55.528 56.100 -0.425 0.000 1.021 245 R CB 1.147 30.840 30.300 -1.011 0.000 1.032 245 R HN 0.063 nan 8.270 nan 0.000 0.481 246 L N 2.392 123.475 121.223 -0.234 0.000 2.156 246 L HA -0.039 4.301 4.340 -0.000 0.000 0.208 246 L C -0.070 176.771 176.870 -0.049 0.000 1.095 246 L CA 0.884 55.676 54.840 -0.080 0.000 0.770 246 L CB 0.114 42.204 42.059 0.051 0.000 0.914 246 L HN 0.740 nan 8.230 nan 0.000 0.439 247 F N 0.205 120.157 119.950 0.003 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 0.008 0.000 0.863 247 F CA 0.882 58.856 58.000 -0.044 0.000 1.121 247 F CB -1.531 37.405 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 -0.219 56.152 56.287 0.139 0.000 0.811 248 K CB 1.145 33.714 32.500 0.114 0.000 1.223 248 K HN -0.006 nan 8.250 nan 0.000 0.438 249 D N 2.778 123.269 120.400 0.151 0.000 3.070 249 D HA -0.224 4.416 4.640 -0.000 0.000 0.220 249 D C 0.701 177.116 176.300 0.190 0.000 1.176 249 D CA 2.054 56.148 54.000 0.156 0.000 0.924 249 D CB -0.831 40.046 40.800 0.128 0.000 1.124 249 D HN 1.046 nan 8.370 nan 0.000 0.411 250 G N -1.241 107.698 108.800 0.231 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 0.430 0.000 0.977 250 G CA 0.501 45.800 45.100 0.332 0.000 0.641 250 G HN 0.419 nan 8.290 nan 0.000 0.533 251 K N -0.294 120.296 120.400 0.315 0.000 2.319 251 K HA 0.598 4.918 4.320 -0.000 0.000 0.265 251 K C 0.346 177.159 176.600 0.356 0.000 1.000 251 K CA -0.422 56.085 56.287 0.366 0.000 0.943 251 K CB 0.495 33.168 32.500 0.289 0.000 0.950 251 K HN 0.110 nan 8.250 nan 0.000 0.485 252 L N 2.841 124.309 121.223 0.408 0.000 2.325 252 L HA 0.280 4.620 4.340 -0.000 0.000 0.279 252 L C 0.026 177.068 176.870 0.287 0.000 1.054 252 L CA 0.014 55.013 54.840 0.265 0.000 0.804 252 L CB 1.063 43.244 42.059 0.204 0.000 1.200 252 L HN 0.545 nan 8.230 nan 0.000 0.436 253 K N 3.221 123.716 120.400 0.158 0.000 2.188 253 K HA 0.315 4.635 4.320 -0.000 0.000 0.246 253 K C -1.164 175.585 176.600 0.248 0.000 1.026 253 K CA 0.434 56.779 56.287 0.096 0.000 0.871 253 K CB 0.395 32.898 32.500 0.006 0.000 1.042 253 K HN 0.637 nan 8.250 nan 0.000 0.509 254 Y N -3.187 117.147 120.300 0.056 0.000 3.035 254 Y HA 0.157 4.707 4.550 -0.000 0.000 0.388 254 Y C -1.968 173.969 175.900 0.061 0.000 1.268 254 Y CA -1.416 56.723 58.100 0.064 0.000 1.128 254 Y CB 0.684 39.180 38.460 0.060 0.000 1.820 254 Y HN 0.635 nan 8.280 nan 0.000 0.432 255 Q N 1.583 121.558 119.800 0.292 0.000 2.456 255 Q HA 0.707 5.047 4.340 -0.000 0.000 0.284 255 Q C -1.816 174.364 176.000 0.299 0.000 1.061 255 Q CA -1.282 54.629 55.803 0.180 0.000 0.799 255 Q CB 2.936 31.747 28.738 0.120 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 -0.411 55.002 55.300 0.188 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 3.788 125.157 121.223 0.244 0.000 2.436 257 L HA 0.409 4.749 4.340 -0.000 0.000 0.268 257 L C -0.011 176.984 176.870 0.207 0.000 0.974 257 L CA -0.673 54.290 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 2.351 121.120 118.700 0.114 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 1.344 54.447 53.050 0.087 0.000 0.707 258 N CB -0.936 37.610 38.487 0.099 0.000 1.043 258 N HN 1.142 nan 8.380 nan 0.000 0.553 259 G N -1.401 107.437 108.800 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 0.901 46.022 45.100 0.034 0.000 0.676 259 G HN 0.527 nan 8.290 nan 0.000 0.528 260 E N -0.661 119.544 120.200 0.010 0.000 2.244 260 E HA 0.536 4.886 4.350 -0.000 0.000 0.266 260 E C -0.136 176.310 176.600 -0.255 0.000 0.914 260 E CA -0.899 55.411 56.400 -0.150 0.000 0.794 260 E CB 2.490 32.070 29.700 -0.200 0.000 1.210 260 E HN 0.069 nan 8.360 nan 0.000 0.414 261 V N 3.098 122.776 119.914 -0.393 0.000 2.455 261 V HA 0.188 4.308 4.120 -0.000 0.000 0.273 261 V C -0.875 174.904 176.094 -0.524 0.000 1.045 261 V CA 0.138 62.248 62.300 -0.317 0.000 0.976 261 V CB -0.446 31.167 31.823 -0.350 0.000 0.993 261 V HN 0.492 nan 8.190 nan 0.000 0.475 262 Y N 4.362 124.718 120.300 0.093 0.000 2.581 262 Y HA 0.489 5.039 4.550 -0.000 0.000 0.345 262 Y C -2.371 173.606 175.900 0.129 0.000 1.036 262 Y CA -2.860 55.286 58.100 0.078 0.000 1.042 262 Y CB 1.880 40.372 38.460 0.054 0.000 1.289 262 Y HN 0.412 nan 8.280 nan 0.000 0.471 263 P HA -0.028 nan 4.420 nan 0.000 0.266 263 P C -2.445 174.965 177.300 0.183 0.000 1.193 263 P CA -0.449 62.775 63.100 0.207 0.000 0.770 263 P CB -0.018 31.783 31.700 0.168 0.000 0.836 264 P HA -0.011 nan 4.420 nan 0.000 0.272 264 P C -0.338 176.998 177.300 0.059 0.000 1.254 264 P CA 0.029 63.179 63.100 0.084 0.000 0.795 264 P CB 0.410 32.139 31.700 0.048 0.000 1.022 265 S N -0.916 114.799 115.700 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 -0.717 57.483 58.200 0.001 0.000 1.010 265 S CB 0.439 63.628 63.200 -0.018 0.000 0.965 265 S HN 0.200 nan 8.310 nan 0.000 0.534 266 V N 1.520 121.424 119.914 -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 2.189 64.485 62.300 -0.008 0.000 1.122 266 V CB -1.236 30.576 31.823 -0.020 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 -0.018 0.000 2.072 267 E HA -0.199 4.151 4.350 -0.000 0.000 0.191 267 E C 2.198 178.794 176.600 -0.007 0.000 0.985 267 E CA 1.038 57.429 56.400 -0.014 0.000 0.801 267 E CB 0.131 29.818 29.700 -0.020 0.000 0.750 267 E HN 0.548 nan 8.360 nan 0.000 0.452 268 E N -0.083 120.113 120.200 -0.006 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 0.807 57.204 56.400 -0.006 0.000 0.807 268 E CB 0.247 29.938 29.700 -0.016 0.000 0.761 268 E HN 0.164 nan 8.360 nan 0.000 0.454 269 A N 2.635 125.462 122.820 0.011 0.000 2.938 269 A HA 0.297 4.617 4.320 -0.000 0.000 0.344 269 A C -2.357 175.240 177.584 0.022 0.000 1.142 269 A CA -1.444 50.606 52.037 0.022 0.000 0.841 269 A CB 0.264 19.280 19.000 0.027 0.000 1.083 269 A HN -0.139 nan 8.150 nan 0.000 0.479 270 P HA 0.050 nan 4.420 nan 0.000 0.240 270 P C -0.214 177.096 177.300 0.017 0.000 1.594 270 P CA 0.876 63.986 63.100 0.016 0.000 1.184 270 P CB 0.226 31.936 31.700 0.017 0.000 1.915 271 V N 4.295 124.218 119.914 0.014 0.000 2.815 271 V HA 0.270 4.390 4.120 -0.000 0.000 0.314 271 V C 0.177 176.267 176.094 -0.006 0.000 1.064 271 V CA -1.335 60.968 62.300 0.004 0.000 0.952 271 V CB 2.635 34.461 31.823 0.006 0.000 1.020 271 V HN 0.234 nan 8.190 nan 0.000 0.439 272 L N 6.086 127.290 121.223 -0.032 0.000 2.410 272 L HA 0.387 4.727 4.340 -0.000 0.000 0.273 272 L C -0.541 176.260 176.870 -0.115 0.000 1.144 272 L CA 0.643 55.448 54.840 -0.057 0.000 0.863 272 L CB 0.868 42.882 42.059 -0.076 0.000 1.140 272 L HN 0.610 nan 8.230 nan 0.000 0.463 273 M N 4.547 124.109 119.600 -0.063 0.000 2.619 273 M HA 0.338 4.818 4.480 -0.000 0.000 0.297 273 M C -0.798 175.489 176.300 -0.022 0.000 1.229 273 M CA -0.663 54.604 55.300 -0.056 0.000 0.860 273 M CB 1.825 34.553 32.600 0.213 0.000 1.741 273 M HN 0.397 nan 8.290 nan 0.000 0.462 274 H N 1.888 120.978 119.070 0.032 0.000 2.746 274 H HA 0.441 4.997 4.556 -0.000 0.000 0.269 274 H C -1.382 173.908 175.328 -0.063 0.000 1.248 274 H CA -0.040 56.016 56.048 0.013 0.000 1.258 274 H CB -0.173 29.590 29.762 0.001 0.000 1.441 274 H HN 0.389 nan 8.280 nan 0.000 0.508 275 Y N 2.845 123.235 120.300 0.151 0.000 2.446 275 Y HA 0.274 4.824 4.550 0.000 0.000 0.345 275 Y C -1.781 174.130 175.900 0.019 0.000 0.984 275 Y CA -2.223 55.932 58.100 0.092 0.000 1.058 275 Y CB 1.562 40.058 38.460 0.061 0.000 1.220 275 Y HN 0.454 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 0.006 0.000 1.200 276 P CA -0.300 62.766 63.100 -0.057 0.000 0.772 276 P CB 0.706 32.255 31.700 -0.251 0.000 0.855 277 R N 1.384 121.875 120.500 -0.015 0.000 2.583 277 R HA 0.203 4.543 4.340 -0.000 0.000 0.274 277 R C 1.594 177.889 176.300 -0.009 0.000 0.998 277 R CA 1.306 57.404 56.100 -0.002 0.000 1.081 277 R CB -1.115 29.177 30.300 -0.012 0.000 0.940 277 R HN 0.953 nan 8.270 nan 0.000 0.413 278 G N 1.854 110.652 108.800 -0.002 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 0.183 175.076 174.900 -0.010 0.000 0.994 278 G CA -0.436 44.660 45.100 -0.007 0.000 0.644 278 G HN 0.489 nan 8.290 nan 0.000 0.508 279 I N 3.735 124.299 120.570 -0.009 0.000 2.331 279 I HA 0.342 4.512 4.170 -0.000 0.000 0.292 279 I C -1.638 174.435 176.117 -0.073 0.000 0.998 279 I CA -2.214 59.061 61.300 -0.041 0.000 1.267 279 I CB 1.710 39.689 38.000 -0.035 0.000 1.386 279 I HN -0.042 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 -0.122 0.000 1.240 280 P CA -1.633 61.419 63.100 -0.079 0.000 0.798 280 P CB 0.751 32.414 31.700 -0.060 0.000 0.979 281 P HA -0.209 nan 4.420 nan 0.000 0.216 281 P C 1.631 178.865 177.300 -0.109 0.000 1.154 281 P CA 1.846 64.888 63.100 -0.097 0.000 0.865 281 P CB -0.232 31.437 31.700 -0.052 0.000 0.789 282 Q N -0.881 118.869 119.800 -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 1.332 57.092 55.803 -0.072 0.000 0.927 282 Q CB -0.879 27.829 28.738 -0.050 0.000 0.980 282 Q HN 0.220 nan 8.270 nan 0.000 0.525 283 S N -0.174 115.436 115.700 -0.149 0.000 2.666 283 S HA 0.161 4.631 4.470 -0.000 0.000 0.239 283 S C -0.057 174.357 174.600 -0.311 0.000 1.031 283 S CA -0.372 57.722 58.200 -0.178 0.000 1.015 283 S CB 0.617 63.727 63.200 -0.151 0.000 0.981 283 S HN 0.340 nan 8.310 nan 0.000 0.547 284 Q N 1.022 120.589 119.800 -0.390 0.000 2.282 284 Q HA 0.560 4.900 4.340 -0.000 0.000 0.260 284 Q C -0.958 174.942 176.000 -0.166 0.000 0.964 284 Q CA -0.071 55.357 55.803 -0.626 0.000 0.880 284 Q CB 1.659 29.933 28.738 -0.774 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 0.041 0.000 2.209 285 M HA 0.462 4.942 4.480 -0.000 0.000 0.355 285 M C -0.491 175.903 176.300 0.157 0.000 1.171 285 M CA -0.563 54.800 55.300 0.104 0.000 1.069 285 M CB 1.543 34.218 32.600 0.126 0.000 1.622 285 M HN 0.689 nan 8.290 nan 0.000 0.459 286 A N 3.038 125.917 122.820 0.099 0.000 2.320 286 A HA 0.517 4.837 4.320 -0.000 0.000 0.287 286 A C 0.620 178.248 177.584 0.073 0.000 1.181 286 A CA -0.531 51.554 52.037 0.080 0.000 0.831 286 A CB 0.127 19.157 19.000 0.050 0.000 1.102 286 A HN 0.927 nan 8.150 nan 0.000 0.513 287 V N -0.558 119.383 119.914 0.044 0.000 3.359 287 V HA 0.614 4.734 4.120 -0.000 0.000 0.270 287 V C 0.945 177.006 176.094 -0.054 0.000 1.583 287 V CA 0.933 63.247 62.300 0.024 0.000 1.019 287 V CB -0.377 31.496 31.823 0.085 0.000 0.831 287 V HN 2.122 nan 8.190 nan 0.000 0.426 288 G N 0.054 108.795 108.800 -0.099 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 0.154 174.909 174.900 -0.241 0.000 1.106 288 G CA 0.245 45.262 45.100 -0.138 0.000 0.748 288 G HN 0.508 nan 8.290 nan 0.000 0.503 289 Q N 1.557 121.097 119.800 -0.434 0.000 2.431 289 Q HA 0.493 4.833 4.340 -0.000 0.000 0.249 289 Q C 1.110 176.828 176.000 -0.470 0.000 1.025 289 Q CA -0.168 55.229 55.803 -0.676 0.000 0.835 289 Q CB 1.436 29.124 28.738 -1.749 0.000 1.207 289 Q HN 0.568 nan 8.270 nan 0.000 0.490 290 E N 1.509 121.528 120.200 -0.301 0.000 2.187 290 E HA -0.182 4.168 4.350 -0.000 0.000 0.199 290 E C 1.459 177.963 176.600 -0.161 0.000 1.004 290 E CA 1.091 57.320 56.400 -0.285 0.000 0.813 290 E CB -0.054 29.324 29.700 -0.536 0.000 0.736 290 E HN 0.318 nan 8.360 nan 0.000 0.468 291 V N 0.098 119.990 119.914 -0.038 0.000 2.871 291 V HA -0.127 3.993 4.120 -0.000 0.000 0.256 291 V C 1.066 177.296 176.094 0.227 0.000 1.082 291 V CA 0.788 63.182 62.300 0.157 0.000 1.105 291 V CB -0.403 31.580 31.823 0.266 0.000 0.713 291 V HN 0.200 nan 8.190 nan 0.000 0.473 292 F N 1.238 121.168 119.950 -0.034 0.000 2.449 292 F HA -0.030 4.497 4.527 -0.000 0.000 0.299 292 F C 2.255 177.973 175.800 -0.138 0.000 1.092 292 F CA 0.801 58.766 58.000 -0.059 0.000 1.446 292 F CB -1.561 37.433 39.000 -0.010 0.000 1.084 292 F HN 0.288 nan 8.300 nan 0.000 0.567 293 G N -0.328 108.423 108.800 -0.082 0.000 2.679 293 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.212 293 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.212 293 G C 1.067 175.776 174.900 -0.318 0.000 1.137 293 G CA -0.028 44.858 45.100 -0.357 0.000 0.787 293 G HN 0.340 nan 8.290 nan 0.000 0.534 294 L N 0.395 121.506 121.223 -0.186 0.000 3.064 294 L HA 0.577 4.917 4.340 -0.000 0.000 0.233 294 L C -0.491 176.175 176.870 -0.339 0.000 1.333 294 L CA -0.020 54.718 54.840 -0.170 0.000 1.140 294 L CB 0.037 42.110 42.059 0.024 0.000 1.519 294 L HN -0.012 nan 8.230 nan 0.000 0.493 295 L N -0.545 120.432 121.223 -0.410 0.000 4.490 295 L HA 0.078 4.418 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 -0.737 53.723 54.840 -0.634 0.000 1.242 295 L CB 2.049 43.838 42.059 -0.451 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 1.446 178.403 177.300 -0.573 0.000 1.151 296 P CA 1.870 64.562 63.100 -0.680 0.000 0.849 296 P CB 0.315 31.563 31.700 -0.753 0.000 0.787 297 G N -0.519 107.701 108.800 -0.967 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 1.382 175.906 174.900 -0.628 0.000 1.168 297 G CA 0.649 44.987 45.100 -1.270 0.000 0.771 297 G HN 0.144 nan 8.290 nan 0.000 0.551 298 L N -0.234 120.626 121.223 -0.605 0.000 1.976 298 L HA 0.106 4.446 4.340 -0.000 0.000 0.209 298 L C 2.753 179.421 176.870 -0.336 0.000 1.071 298 L CA 1.757 56.294 54.840 -0.506 0.000 0.746 298 L CB -0.846 40.873 42.059 -0.566 0.000 0.890 298 L HN 0.249 nan 8.230 nan 0.000 0.432 299 M N -1.404 118.054 119.600 -0.236 0.000 2.549 299 M HA -0.143 4.337 4.480 -0.000 0.000 0.260 299 M C 1.789 178.038 176.300 -0.084 0.000 1.076 299 M CA 1.183 56.431 55.300 -0.087 0.000 1.090 299 M CB -0.306 32.252 32.600 -0.070 0.000 1.418 299 M HN 0.214 nan 8.290 nan 0.000 0.486 300 L N -1.302 119.826 121.223 -0.159 0.000 2.049 300 L HA -0.182 4.158 4.340 -0.000 0.000 0.203 300 L C 1.776 178.540 176.870 -0.176 0.000 1.074 300 L CA 1.772 56.523 54.840 -0.150 0.000 0.749 300 L CB -0.706 41.252 42.059 -0.168 0.000 0.907 300 L HN 0.240 nan 8.230 nan 0.000 0.439 301 Y N 0.463 120.605 120.300 -0.264 0.000 2.274 301 Y HA -0.161 4.389 4.550 0.000 0.000 0.290 301 Y C 2.714 178.470 175.900 -0.241 0.000 1.145 301 Y CA 1.414 59.297 58.100 -0.361 0.000 1.203 301 Y CB -0.614 37.413 38.460 -0.721 0.000 0.984 301 Y HN 0.318 nan 8.280 nan 0.000 0.533 302 A N -0.873 121.931 122.820 -0.028 0.000 1.972 302 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 302 A C 2.267 179.942 177.584 0.152 0.000 1.169 302 A CA 2.200 54.349 52.037 0.186 0.000 0.635 302 A CB -1.044 18.111 19.000 0.259 0.000 0.810 302 A HN 0.402 nan 8.150 nan 0.000 0.446 303 T N 0.168 114.771 114.554 0.081 0.000 2.812 303 T HA -0.015 4.335 4.350 -0.000 0.000 0.264 303 T C 1.799 176.493 174.700 -0.010 0.000 1.042 303 T CA 1.297 63.433 62.100 0.060 0.000 1.140 303 T CB -0.343 68.579 68.868 0.089 0.000 0.870 303 T HN 0.429 nan 8.240 nan 0.000 0.445 304 I N -0.569 119.955 120.570 -0.077 0.000 2.163 304 I HA -0.200 3.970 4.170 -0.000 0.000 0.243 304 I C 2.214 178.235 176.117 -0.160 0.000 1.085 304 I CA 1.551 62.736 61.300 -0.191 0.000 1.347 304 I CB -0.332 37.468 38.000 -0.333 0.000 1.044 304 I HN 0.352 nan 8.210 nan 0.000 0.408 305 W N 0.629 121.944 121.300 0.026 0.000 2.381 305 W HA -0.112 4.548 4.660 -0.000 0.000 0.301 305 W C 2.473 179.020 176.519 0.045 0.000 1.205 305 W CA 0.562 57.937 57.345 0.050 0.000 1.285 305 W CB -0.480 29.007 29.460 0.044 0.000 1.133 305 W HN 0.070 nan 8.180 nan 0.000 0.521 306 L N 0.777 122.133 121.223 0.221 0.000 2.012 306 L HA -0.277 4.063 4.340 -0.000 0.000 0.210 306 L C 2.589 179.534 176.870 0.124 0.000 1.073 306 L CA 1.812 56.743 54.840 0.151 0.000 0.748 306 L CB -0.383 41.741 42.059 0.108 0.000 0.891 306 L HN -0.065 nan 8.230 nan 0.000 0.431 307 R N -0.216 120.301 120.500 0.029 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 -0.117 0.000 0.850 307 R HN 0.402 nan 8.270 nan 0.000 0.433 308 E N -0.321 119.902 120.200 0.038 0.000 2.085 308 E HA -0.261 4.089 4.350 -0.000 0.000 0.194 308 E C 1.742 178.451 176.600 0.182 0.000 0.994 308 E CA 1.985 58.431 56.400 0.075 0.000 0.801 308 E CB -0.206 29.529 29.700 0.058 0.000 0.743 308 E HN 0.522 nan 8.360 nan 0.000 0.453 309 H N -0.416 118.761 119.070 0.178 0.000 2.321 309 H HA -0.020 4.536 4.556 -0.000 0.000 0.300 309 H C 1.615 177.032 175.328 0.148 0.000 1.087 309 H CA 2.104 58.277 56.048 0.209 0.000 1.319 309 H CB -0.125 29.801 29.762 0.274 0.000 1.379 309 H HN 0.139 nan 8.280 nan 0.000 0.501 310 N N 0.244 119.075 118.700 0.218 0.000 2.244 310 N HA -0.132 4.608 4.740 -0.000 0.000 0.183 310 N C 1.950 177.469 175.510 0.014 0.000 1.016 310 N CA 0.984 54.100 53.050 0.110 0.000 0.866 310 N CB -0.335 38.190 38.487 0.062 0.000 0.980 310 N HN 0.431 nan 8.380 nan 0.000 0.430 311 R N 0.673 121.176 120.500 0.005 0.000 2.075 311 R HA -0.015 4.325 4.340 -0.000 0.000 0.232 311 R C 1.497 177.793 176.300 -0.007 0.000 1.126 311 R CA 1.016 57.109 56.100 -0.012 0.000 0.963 311 R CB -0.179 30.111 30.300 -0.017 0.000 0.858 311 R HN -0.006 nan 8.270 nan 0.000 0.435 312 V N 0.370 120.282 119.914 -0.004 0.000 2.515 312 V HA -0.265 3.855 4.120 -0.000 0.000 0.250 312 V C 2.527 178.608 176.094 -0.021 0.000 1.058 312 V CA 1.444 63.744 62.300 -0.001 0.000 1.064 312 V CB -0.401 31.436 31.823 0.024 0.000 0.675 312 V HN 0.520 nan 8.190 nan 0.000 0.461 313 C N 0.215 119.476 119.300 -0.064 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 1.110 60.113 59.018 -0.024 0.000 1.735 313 C CB -1.008 26.730 27.740 -0.003 0.000 2.031 313 C HN 0.607 nan 8.230 nan 0.000 0.474 314 D N 0.809 121.212 120.400 0.005 0.000 2.104 314 D HA -0.101 4.539 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 55.055 54.000 0.001 0.000 0.830 314 D CB -0.587 40.212 40.800 -0.003 0.000 0.959 314 D HN 0.440 nan 8.370 nan 0.000 0.452 315 L N 0.075 121.290 121.223 -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 0.561 55.388 54.840 -0.022 0.000 0.754 315 L CB -0.321 41.737 42.059 -0.002 0.000 0.893 315 L HN 0.100 nan 8.230 nan 0.000 0.433 316 L N -0.005 121.205 121.223 -0.023 0.000 2.023 316 L HA -0.159 4.181 4.340 -0.000 0.000 0.205 316 L C 2.557 179.341 176.870 -0.144 0.000 1.073 316 L CA 1.655 56.461 54.840 -0.056 0.000 0.745 316 L CB -1.005 41.058 42.059 0.006 0.000 0.900 316 L HN 0.133 nan 8.230 nan 0.000 0.435 317 K N -0.106 120.244 120.400 -0.082 0.000 2.074 317 K HA -0.199 4.121 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 1.649 57.889 56.287 -0.080 0.000 0.926 317 K CB -0.304 32.196 32.500 -0.000 0.000 0.713 317 K HN 0.269 nan 8.250 nan 0.000 0.444 318 A N 0.380 123.136 122.820 -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 2.098 54.066 52.037 -0.115 0.000 0.627 318 A CB -0.632 18.316 19.000 -0.088 0.000 0.818 318 A HN 0.512 nan 8.150 nan 0.000 0.445 319 E N -0.754 119.277 120.200 -0.281 0.000 2.158 319 E HA -0.059 4.290 4.350 -0.000 0.000 0.191 319 E C -0.116 176.017 176.600 -0.780 0.000 0.982 319 E CA 0.859 56.957 56.400 -0.505 0.000 0.823 319 E CB -0.038 29.316 29.700 -0.577 0.000 0.766 319 E HN 0.779 nan 8.360 nan 0.000 0.468 320 H N -0.661 118.108 119.070 -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 54.017 56.048 -0.662 0.000 1.416 320 H CB 1.204 29.866 29.762 -1.834 0.000 1.510 320 H HN 0.110 nan 8.280 nan 0.000 0.507 321 P HA -0.200 nan 4.420 nan 0.000 0.219 321 P C 1.261 178.592 177.300 0.053 0.000 1.146 321 P CA 1.372 64.455 63.100 -0.028 0.000 0.808 321 P CB 0.238 31.922 31.700 -0.028 0.000 0.779 322 T N -5.803 108.808 114.554 0.095 0.000 2.995 322 T HA -0.074 4.276 4.350 -0.000 0.000 0.269 322 T C 0.663 175.559 174.700 0.328 0.000 1.091 322 T CA 0.077 62.291 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 2.178 123.522 121.300 0.073 0.000 2.126 323 W HA 0.634 5.294 4.660 -0.000 0.000 0.346 323 W C 1.089 177.638 176.519 0.049 0.000 1.279 323 W CA -0.939 56.435 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 0.267 109.236 108.800 0.283 0.000 2.753 324 G HA2 0.179 4.139 3.960 -0.000 0.000 0.285 324 G HA3 0.179 4.139 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 -0.201 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 -0.751 119.750 120.400 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 0.046 40.965 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 2.082 326 E HA -0.311 4.039 4.350 -0.000 0.000 0.215 326 E C 2.098 178.788 176.600 0.151 0.000 1.048 326 E CA 1.430 57.925 56.400 0.159 0.000 0.869 326 E CB -0.624 29.121 29.700 0.076 0.000 0.773 326 E HN 0.538 nan 8.360 nan 0.000 0.466 327 Q N 0.034 119.845 119.800 0.019 0.000 2.124 327 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 327 Q C 2.543 178.567 176.000 0.041 0.000 0.977 327 Q CA 0.988 56.694 55.803 -0.162 0.000 0.850 327 Q CB -0.061 28.330 28.738 -0.578 0.000 0.901 327 Q HN 0.242 nan 8.270 nan 0.000 0.429 328 L N -0.417 120.987 121.223 0.301 0.000 2.017 328 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 328 L C 2.287 179.306 176.870 0.248 0.000 1.073 328 L CA 1.330 56.410 54.840 0.400 0.000 0.745 328 L CB -0.556 41.708 42.059 0.343 0.000 0.894 328 L HN 0.299 nan 8.230 nan 0.000 0.432 329 F N 0.531 120.558 119.950 0.129 0.000 2.069 329 F HA -0.294 4.233 4.527 -0.000 0.000 0.298 329 F C 2.773 178.617 175.800 0.073 0.000 1.113 329 F CA 1.681 59.760 58.000 0.131 0.000 1.214 329 F CB -0.221 38.846 39.000 0.110 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 0.135 0.000 2.061 330 Q HA -0.167 4.173 4.340 -0.000 0.000 0.204 330 Q C 2.234 178.170 176.000 -0.106 0.000 0.984 330 Q CA 2.434 58.218 55.803 -0.031 0.000 0.846 330 Q CB -1.357 27.399 28.738 0.030 0.000 0.902 330 Q HN 0.448 nan 8.270 nan 0.000 0.421 331 T N 1.346 115.876 114.554 -0.040 0.000 2.867 331 T HA -0.051 4.299 4.350 -0.000 0.000 0.268 331 T C 1.910 176.657 174.700 0.079 0.000 1.057 331 T CA 1.202 63.319 62.100 0.029 0.000 1.136 331 T CB -0.234 68.733 68.868 0.165 0.000 0.874 331 T HN 0.393 nan 8.240 nan 0.000 0.466 332 A N 2.107 124.926 122.820 -0.002 0.000 1.877 332 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 332 A C 2.327 179.937 177.584 0.042 0.000 1.186 332 A CA 1.786 53.793 52.037 -0.050 0.000 0.620 332 A CB -0.663 18.117 19.000 -0.366 0.000 0.822 332 A HN 0.438 nan 8.150 nan 0.000 0.443 333 R N -0.276 120.157 120.500 -0.113 0.000 2.127 333 R HA -0.075 4.265 4.340 -0.000 0.000 0.238 333 R C 1.818 178.192 176.300 0.123 0.000 1.134 333 R CA 1.516 57.574 56.100 -0.071 0.000 0.975 333 R CB -0.388 29.573 30.300 -0.566 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 -0.102 4.238 4.340 -0.000 0.000 0.208 334 L C 2.311 179.516 176.870 0.558 0.000 1.095 334 L CA 0.860 55.875 54.840 0.292 0.000 0.770 334 L CB -0.222 41.912 42.059 0.125 0.000 0.914 334 L HN 0.245 nan 8.230 nan 0.000 0.439 335 I N -0.659 120.200 120.570 0.481 0.000 2.252 335 I HA -0.270 3.900 4.170 -0.000 0.000 0.245 335 I C 2.275 178.595 176.117 0.338 0.000 1.102 335 I CA 0.986 62.534 61.300 0.413 0.000 1.385 335 I CB -0.144 38.039 38.000 0.304 0.000 1.064 335 I HN 0.184 nan 8.210 nan 0.000 0.414 336 L N 0.408 121.840 121.223 0.348 0.000 2.141 336 L HA -0.139 4.201 4.340 -0.000 0.000 0.209 336 L C 2.334 179.378 176.870 0.289 0.000 1.094 336 L CA 1.677 56.745 54.840 0.380 0.000 0.763 336 L CB -0.503 41.809 42.059 0.422 0.000 0.908 336 L HN 0.164 nan 8.230 nan 0.000 0.437 337 I N -1.011 119.734 120.570 0.291 0.000 2.226 337 I HA -0.229 3.941 4.170 -0.000 0.000 0.245 337 I C 2.467 178.760 176.117 0.294 0.000 1.100 337 I CA 1.367 62.818 61.300 0.251 0.000 1.374 337 I CB -0.895 37.269 38.000 0.273 0.000 1.057 337 I HN 0.357 nan 8.210 nan 0.000 0.413 338 G N 0.377 109.411 108.800 0.391 0.000 2.421 338 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.216 338 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.216 338 G C 1.498 176.599 174.900 0.335 0.000 1.171 338 G CA 0.562 45.912 45.100 0.418 0.000 0.775 338 G HN 0.395 nan 8.290 nan 0.000 0.543 339 E N -0.266 120.125 120.200 0.318 0.000 2.038 339 E HA -0.132 4.218 4.350 -0.000 0.000 0.195 339 E C 2.790 179.607 176.600 0.362 0.000 1.000 339 E CA 1.549 58.159 56.400 0.350 0.000 0.803 339 E CB -0.317 29.654 29.700 0.452 0.000 0.750 339 E HN 0.312 nan 8.360 nan 0.000 0.448 340 T N 1.497 116.257 114.554 0.345 0.000 2.607 340 T HA -0.181 4.169 4.350 -0.000 0.000 0.267 340 T C 1.985 176.732 174.700 0.078 0.000 1.049 340 T CA 1.388 63.627 62.100 0.233 0.000 1.162 340 T CB -0.323 68.531 68.868 -0.025 0.000 0.863 340 T HN 0.134 nan 8.240 nan 0.000 0.424 341 I N 0.995 121.569 120.570 0.007 0.000 2.194 341 I HA -0.247 3.923 4.170 -0.000 0.000 0.246 341 I C 2.585 178.411 176.117 -0.484 0.000 1.093 341 I CA 1.533 62.691 61.300 -0.237 0.000 1.355 341 I CB -0.488 37.327 38.000 -0.309 0.000 1.046 341 I HN 0.264 nan 8.210 nan 0.000 0.413 342 K N 1.919 122.131 120.400 -0.313 0.000 1.973 342 K HA -0.180 4.140 4.320 -0.000 0.000 0.212 342 K C 2.215 178.815 176.600 -0.000 0.000 1.047 342 K CA 1.679 57.894 56.287 -0.120 0.000 0.937 342 K CB -0.182 32.505 32.500 0.312 0.000 0.721 342 K HN 0.194 nan 8.250 nan 0.000 0.440 343 I N 1.292 121.923 120.570 0.102 0.000 2.151 343 I HA -0.307 3.863 4.170 -0.000 0.000 0.243 343 I C 2.350 178.502 176.117 0.059 0.000 1.080 343 I CA 1.195 62.574 61.300 0.132 0.000 1.339 343 I CB -0.310 37.844 38.000 0.257 0.000 1.039 343 I HN 0.062 nan 8.210 nan 0.000 0.409 344 V N 0.880 120.761 119.914 -0.054 0.000 2.439 344 V HA -0.306 3.814 4.120 -0.000 0.000 0.253 344 V C 2.204 178.180 176.094 -0.198 0.000 1.074 344 V CA 1.626 63.739 62.300 -0.311 0.000 1.076 344 V CB -0.423 31.042 31.823 -0.597 0.000 0.664 344 V HN 0.328 nan 8.190 nan 0.000 0.461 345 I N -0.468 120.025 120.570 -0.128 0.000 2.405 345 I HA -0.050 4.120 4.170 -0.000 0.000 0.236 345 I C 2.382 178.526 176.117 0.044 0.000 1.071 345 I CA 1.244 62.509 61.300 -0.058 0.000 1.398 345 I CB -0.950 36.983 38.000 -0.111 0.000 1.162 345 I HN 0.344 nan 8.210 nan 0.000 0.432 346 E N 0.369 120.612 120.200 0.072 0.000 2.418 346 E HA -0.159 4.191 4.350 -0.000 0.000 0.197 346 E C 1.376 178.046 176.600 0.117 0.000 1.026 346 E CA 0.727 57.185 56.400 0.097 0.000 0.862 346 E CB 0.228 29.992 29.700 0.107 0.000 0.799 346 E HN 0.560 nan 8.360 nan 0.000 0.518 347 E N -1.182 119.116 120.200 0.162 0.000 2.406 347 E HA -0.018 4.332 4.350 -0.000 0.000 0.204 347 E C 1.234 178.080 176.600 0.410 0.000 0.820 347 E CA -0.113 56.432 56.400 0.242 0.000 1.136 347 E CB 0.039 29.833 29.700 0.157 0.000 1.129 347 E HN 0.082 nan 8.360 nan 0.000 0.530 348 Y N 1.806 122.190 120.300 0.141 0.000 2.138 348 Y HA -0.094 4.456 4.550 -0.000 0.000 0.286 348 Y C 2.031 177.938 175.900 0.012 0.000 1.115 348 Y CA 1.128 59.161 58.100 -0.111 0.000 1.105 348 Y CB -0.377 37.829 38.460 -0.424 0.000 1.004 348 Y HN -0.220 nan 8.280 nan 0.000 0.494 349 V N 0.881 121.022 119.914 0.380 0.000 3.026 349 V HA -0.230 3.890 4.120 -0.000 0.000 0.265 349 V C 2.088 178.256 176.094 0.123 0.000 1.121 349 V CA 1.818 64.270 62.300 0.253 0.000 1.142 349 V CB -0.744 31.143 31.823 0.108 0.000 0.730 349 V HN 0.352 nan 8.190 nan 0.000 0.503 350 Q N 0.225 120.099 119.800 0.122 0.000 2.062 350 Q HA -0.164 4.176 4.340 -0.000 0.000 0.196 350 Q C 2.228 178.258 176.000 0.050 0.000 0.967 350 Q CA 1.743 57.583 55.803 0.061 0.000 0.832 350 Q CB -0.322 28.471 28.738 0.090 0.000 0.899 350 Q HN 0.619 nan 8.270 nan 0.000 0.442 351 Q N 0.066 119.924 119.800 0.096 0.000 1.985 351 Q HA -0.168 4.172 4.340 -0.000 0.000 0.207 351 Q C 1.896 177.865 176.000 -0.052 0.000 0.996 351 Q CA 1.959 57.772 55.803 0.016 0.000 0.851 351 Q CB -0.653 28.101 28.738 0.026 0.000 0.921 351 Q HN 0.472 nan 8.270 nan 0.000 0.418 352 L N 0.294 121.538 121.223 0.036 0.000 1.963 352 L HA -0.304 4.036 4.340 -0.000 0.000 0.220 352 L C 2.619 179.502 176.870 0.021 0.000 1.076 352 L CA 2.084 56.936 54.840 0.020 0.000 0.772 352 L CB -1.402 40.808 42.059 0.250 0.000 0.892 352 L HN 0.529 nan 8.230 nan 0.000 0.435 353 S N -0.400 115.272 115.700 -0.047 0.000 2.401 353 S HA -0.264 4.206 4.470 -0.000 0.000 0.236 353 S C 1.681 176.301 174.600 0.033 0.000 1.058 353 S CA 2.141 60.180 58.200 -0.268 0.000 1.151 353 S CB -0.931 61.777 63.200 -0.820 0.000 1.049 353 S HN 0.743 nan 8.310 nan 0.000 0.432 354 G N -1.269 107.534 108.800 0.004 0.000 2.195 354 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.224 354 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.224 354 G C -0.007 174.812 174.900 -0.135 0.000 0.990 354 G CA 0.112 45.195 45.100 -0.029 0.000 0.639 354 G HN 0.553 nan 8.290 nan 0.000 0.514 355 Y N -0.136 119.915 120.300 -0.416 0.000 2.652 355 Y HA 0.448 4.998 4.550 -0.000 0.000 0.344 355 Y C 1.523 177.132 175.900 -0.485 0.000 1.254 355 Y CA -0.270 57.483 58.100 -0.579 0.000 1.480 355 Y CB 0.073 38.266 38.460 -0.446 0.000 1.345 355 Y HN 0.011 nan 8.280 nan 0.000 0.617 356 F N 0.340 119.998 119.950 -0.487 0.000 2.619 356 F HA 0.088 4.615 4.527 -0.000 0.000 0.293 356 F C 0.728 176.255 175.800 -0.454 0.000 1.119 356 F CA -0.418 57.316 58.000 -0.442 0.000 1.445 356 F CB -0.394 38.295 39.000 -0.518 0.000 1.119 356 F HN 0.204 nan 8.300 nan 0.000 0.573 357 L N 2.076 122.960 121.223 -0.565 0.000 2.456 357 L HA 0.166 4.506 4.340 -0.000 0.000 0.277 357 L C 0.324 177.135 176.870 -0.097 0.000 1.124 357 L CA -0.448 54.156 54.840 -0.393 0.000 0.880 357 L CB -0.312 41.380 42.059 -0.611 0.000 1.192 357 L HN -0.011 nan 8.230 nan 0.000 0.463 358 Q N 4.726 124.522 119.800 -0.006 0.000 2.283 358 Q HA 0.139 4.479 4.340 -0.000 0.000 0.269 358 Q C -0.780 175.237 176.000 0.029 0.000 1.187 358 Q CA 0.610 56.430 55.803 0.027 0.000 0.922 358 Q CB -0.201 28.563 28.738 0.044 0.000 1.323 358 Q HN 0.665 nan 8.270 nan 0.000 0.432 359 L N 3.881 125.122 121.223 0.029 0.000 2.500 359 L HA 0.099 4.439 4.340 -0.000 0.000 0.272 359 L C 0.653 177.562 176.870 0.064 0.000 1.149 359 L CA 0.243 55.106 54.840 0.038 0.000 0.897 359 L CB 0.177 42.254 42.059 0.030 0.000 1.178 359 L HN 0.439 nan 8.230 nan 0.000 0.473 360 K N 4.008 124.448 120.400 0.066 0.000 2.185 360 K HA 0.304 4.624 4.320 -0.000 0.000 0.269 360 K C -0.929 175.753 176.600 0.136 0.000 0.987 360 K CA -0.689 55.647 56.287 0.081 0.000 0.865 360 K CB 1.207 33.731 32.500 0.039 0.000 1.090 360 K HN 0.282 nan 8.250 nan 0.000 0.450 361 F N 4.894 124.834 119.950 -0.018 0.000 2.350 361 F HA 0.345 4.872 4.527 -0.000 0.000 0.365 361 F C -1.162 174.596 175.800 -0.070 0.000 1.122 361 F CA -1.106 56.868 58.000 -0.042 0.000 1.139 361 F CB 0.564 39.559 39.000 -0.007 0.000 1.220 361 F HN 0.524 nan 8.300 nan 0.000 0.499 362 D N 8.215 128.444 120.400 -0.285 0.000 2.478 362 D HA 0.360 5.000 4.640 -0.000 0.000 0.240 362 D C -2.403 173.561 176.300 -0.560 0.000 1.364 362 D CA -1.993 51.705 54.000 -0.504 0.000 0.987 362 D CB 2.358 43.006 40.800 -0.253 0.000 1.328 362 D HN 0.184 nan 8.370 nan 0.000 0.584 363 P HA -0.055 nan 4.420 nan 0.000 0.222 363 P C 0.673 177.426 177.300 -0.912 0.000 1.147 363 P CA 0.866 63.478 63.100 -0.813 0.000 0.790 363 P CB 0.395 31.287 31.700 -1.347 0.000 0.780 364 E N -0.684 118.898 120.200 -1.031 0.000 2.347 364 E HA -0.049 4.301 4.350 -0.000 0.000 0.196 364 E C 1.665 177.901 176.600 -0.607 0.000 1.008 364 E CA 0.438 56.077 56.400 -1.267 0.000 0.852 364 E CB -0.463 28.821 29.700 -0.692 0.000 0.783 364 E HN 0.312 nan 8.360 nan 0.000 0.505 365 L N 0.448 121.447 121.223 -0.374 0.000 2.362 365 L HA -0.125 4.215 4.340 -0.000 0.000 0.219 365 L C 1.998 178.784 176.870 -0.140 0.000 1.134 365 L CA 0.695 55.423 54.840 -0.187 0.000 0.807 365 L CB -0.110 41.866 42.059 -0.138 0.000 0.927 365 L HN 0.203 nan 8.230 nan 0.000 0.447 366 L N -2.096 119.018 121.223 -0.180 0.000 2.554 366 L HA 0.032 4.372 4.340 -0.000 0.000 0.225 366 L C 2.052 179.043 176.870 0.202 0.000 1.104 366 L CA -0.245 54.559 54.840 -0.059 0.000 0.866 366 L CB -0.077 41.861 42.059 -0.202 0.000 1.047 366 L HN 0.114 nan 8.230 nan 0.000 0.468 367 F N 0.893 120.869 119.950 0.044 0.000 2.192 367 F HA -0.128 4.399 4.527 -0.000 0.000 0.301 367 F C 2.356 178.201 175.800 0.076 0.000 1.079 367 F CA 1.180 59.232 58.000 0.087 0.000 1.303 367 F CB -1.438 37.610 39.000 0.080 0.000 1.024 367 F HN 0.065 nan 8.300 nan 0.000 0.494 368 G N -1.016 107.920 108.800 0.226 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 0.944 175.914 174.900 0.116 0.000 1.140 368 G CA 0.506 45.692 45.100 0.143 0.000 0.801 368 G HN 0.465 nan 8.290 nan 0.000 0.536 369 A N -0.179 122.710 122.820 0.116 0.000 2.327 369 A HA 0.527 4.847 4.320 -0.000 0.000 0.255 369 A C 0.179 177.839 177.584 0.126 0.000 1.099 369 A CA -0.210 51.886 52.037 0.099 0.000 0.801 369 A CB 0.263 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 -0.038 119.826 119.800 0.106 0.000 2.390 370 Q HA 0.493 4.833 4.340 -0.000 0.000 0.249 370 Q C -1.617 174.463 176.000 0.134 0.000 0.996 370 Q CA 0.204 56.063 55.803 0.094 0.000 0.899 370 Q CB 0.966 29.732 28.738 0.047 0.000 1.216 370 Q HN 0.537 nan 8.270 nan 0.000 0.465 371 F N 1.256 121.157 119.950 -0.082 0.000 2.588 371 F HA 0.305 4.832 4.527 -0.000 0.000 0.310 371 F C -1.047 174.594 175.800 -0.266 0.000 1.082 371 F CA -0.809 57.067 58.000 -0.208 0.000 0.929 371 F CB 2.021 40.835 39.000 -0.310 0.000 1.254 371 F HN 0.214 nan 8.300 nan 0.000 0.455 372 Q N 4.465 123.764 119.800 -0.836 0.000 2.400 372 Q HA 0.188 4.528 4.340 -0.000 0.000 0.255 372 Q C -1.360 174.261 176.000 -0.632 0.000 1.008 372 Q CA -0.414 55.072 55.803 -0.528 0.000 0.841 372 Q CB 0.981 29.479 28.738 -0.401 0.000 1.220 372 Q HN 0.635 nan 8.270 nan 0.000 0.474 373 Y N 2.712 122.951 120.300 -0.101 0.000 2.604 373 Y HA 0.069 4.619 4.550 0.000 0.000 0.341 373 Y C 0.911 176.771 175.900 -0.067 0.000 1.249 373 Y CA 0.148 58.244 58.100 -0.007 0.000 1.926 373 Y CB -0.009 38.481 38.460 0.050 0.000 1.941 373 Y HN 0.296 nan 8.280 nan 0.000 0.426 374 R N 1.567 122.024 120.500 -0.073 0.000 2.643 374 R HA 0.441 4.781 4.340 -0.000 0.000 0.269 374 R C -2.006 174.239 176.300 -0.092 0.000 1.037 374 R CA -0.696 55.368 56.100 -0.060 0.000 0.894 374 R CB 1.612 31.869 30.300 -0.072 0.000 1.238 374 R HN 0.404 nan 8.270 nan 0.000 0.459 375 N N 1.735 120.401 118.700 -0.056 0.000 2.416 375 N HA 0.488 5.228 4.740 -0.000 0.000 0.276 375 N C -1.777 173.705 175.510 -0.046 0.000 1.261 375 N CA -0.653 52.371 53.050 -0.044 0.000 0.790 375 N CB 2.482 40.966 38.487 -0.005 0.000 1.554 375 N HN 0.614 nan 8.380 nan 0.000 0.481 376 R N 2.361 122.865 120.500 0.008 0.000 2.518 376 R HA 0.348 4.688 4.340 -0.000 0.000 0.287 376 R C -1.086 175.368 176.300 0.256 0.000 1.135 376 R CA -0.518 55.628 56.100 0.076 0.000 0.967 376 R CB 0.339 30.592 30.300 -0.079 0.000 1.212 376 R HN 0.446 nan 8.270 nan 0.000 0.422 377 I N 3.843 124.668 120.570 0.424 0.000 2.664 377 I HA 0.163 4.333 4.170 -0.000 0.000 0.284 377 I C 0.788 177.152 176.117 0.411 0.000 1.154 377 I CA 0.257 61.752 61.300 0.324 0.000 1.402 377 I CB 0.006 38.161 38.000 0.257 0.000 1.395 377 I HN 0.707 nan 8.210 nan 0.000 0.545 378 A N 7.565 130.562 122.820 0.295 0.000 2.316 378 A HA 0.432 4.752 4.320 -0.000 0.000 0.284 378 A C 1.326 178.910 177.584 -0.001 0.000 1.115 378 A CA -0.631 51.509 52.037 0.171 0.000 0.812 378 A CB 0.677 19.748 19.000 0.118 0.000 1.064 378 A HN 0.834 nan 8.150 nan 0.000 0.489 379 M N 0.441 119.981 119.600 -0.101 0.000 2.132 379 M HA -0.097 4.383 4.480 -0.000 0.000 0.263 379 M C 1.085 177.193 176.300 -0.319 0.000 1.065 379 M CA 2.258 57.344 55.300 -0.356 0.000 1.122 379 M CB -0.810 31.637 32.600 -0.256 0.000 1.365 379 M HN 0.724 nan 8.290 nan 0.000 0.411 380 E N 0.540 120.582 120.200 -0.264 0.000 2.273 380 E HA -0.159 4.191 4.350 -0.000 0.000 0.198 380 E C 1.575 177.992 176.600 -0.305 0.000 1.002 380 E CA 1.419 57.588 56.400 -0.385 0.000 0.828 380 E CB -0.294 29.226 29.700 -0.300 0.000 0.747 380 E HN 0.584 nan 8.360 nan 0.000 0.491 381 F N 0.848 120.445 119.950 -0.589 0.000 2.387 381 F HA 0.080 4.607 4.527 -0.000 0.000 0.294 381 F C 1.812 177.431 175.800 -0.302 0.000 1.093 381 F CA 0.729 58.434 58.000 -0.491 0.000 1.420 381 F CB -0.276 38.412 39.000 -0.520 0.000 1.086 381 F HN -0.006 nan 8.300 nan 0.000 0.531 382 N N 0.196 118.500 118.700 -0.659 0.000 2.223 382 N HA -0.183 4.557 4.740 -0.000 0.000 0.185 382 N C 1.623 176.697 175.510 -0.727 0.000 1.016 382 N CA 1.258 53.510 53.050 -1.330 0.000 0.863 382 N CB -0.002 37.821 38.487 -1.107 0.000 0.983 382 N HN 0.470 nan 8.380 nan 0.000 0.429 383 Q N 0.564 120.195 119.800 -0.283 0.000 1.946 383 Q HA -0.109 4.231 4.340 -0.000 0.000 0.199 383 Q C 2.275 178.369 176.000 0.156 0.000 0.979 383 Q CA 0.657 56.489 55.803 0.048 0.000 0.834 383 Q CB -0.555 28.247 28.738 0.106 0.000 0.899 383 Q HN 0.265 nan 8.270 nan 0.000 0.431 384 L N 0.359 121.692 121.223 0.183 0.000 2.054 384 L HA -0.283 4.057 4.340 -0.000 0.000 0.220 384 L C 2.299 179.194 176.870 0.042 0.000 1.081 384 L CA 1.896 56.829 54.840 0.155 0.000 0.780 384 L CB -0.721 41.459 42.059 0.201 0.000 0.893 384 L HN 0.218 nan 8.230 nan 0.000 0.438 385 Y N -0.239 119.902 120.300 -0.266 0.000 2.421 385 Y HA -0.143 4.407 4.550 0.000 0.000 0.292 385 Y C 1.432 176.979 175.900 -0.589 0.000 1.136 385 Y CA 0.885 58.624 58.100 -0.601 0.000 1.255 385 Y CB -0.784 37.290 38.460 -0.644 0.000 0.991 385 Y HN 0.387 nan 8.280 nan 0.000 0.552 386 H N -0.417 118.622 119.070 -0.051 0.000 5.362 386 H HA -0.156 4.400 4.556 -0.000 0.000 0.144 386 H C -0.268 175.240 175.328 0.300 0.000 0.699 386 H CA -0.136 55.973 56.048 0.102 0.000 1.290 386 H CB -0.980 28.880 29.762 0.164 0.000 1.429 386 H HN 0.194 nan 8.280 nan 0.000 0.993 387 W N 0.848 122.261 121.300 0.189 0.000 1.216 387 W HA 0.012 4.672 4.660 -0.000 0.000 0.512 387 W C 0.453 176.969 176.519 -0.005 0.000 0.575 387 W CA -0.271 57.153 57.345 0.132 0.000 2.574 387 W CB -1.488 28.078 29.460 0.176 0.000 1.070 387 W HN 0.625 nan 8.180 nan 0.000 0.266 388 H N 0.338 119.643 119.070 0.391 0.000 2.521 388 H HA -0.076 4.480 4.556 -0.000 0.000 0.286 388 H C -0.518 174.927 175.328 0.196 0.000 1.034 388 H CA 1.205 57.415 56.048 0.270 0.000 1.278 388 H CB -1.016 28.880 29.762 0.223 0.000 1.386 388 H HN 0.096 nan 8.280 nan 0.000 0.567 389 P HA -0.131 nan 4.420 nan 0.000 0.220 389 P C 1.284 178.616 177.300 0.052 0.000 1.148 389 P CA 0.913 64.076 63.100 0.104 0.000 0.803 389 P CB 0.108 31.823 31.700 0.026 0.000 0.782 390 L N -2.190 119.069 121.223 0.060 0.000 2.043 390 L HA -0.152 4.188 4.340 -0.000 0.000 0.212 390 L C 1.084 177.986 176.870 0.054 0.000 1.075 390 L CA 0.856 55.704 54.840 0.013 0.000 0.752 390 L CB -0.658 41.434 42.059 0.056 0.000 0.891 390 L HN 0.083 nan 8.230 nan 0.000 0.432 391 M N 0.665 120.336 119.600 0.119 0.000 2.248 391 M HA 0.040 4.520 4.480 -0.000 0.000 0.343 391 M C -1.749 174.651 176.300 0.167 0.000 1.243 391 M CA -1.893 53.500 55.300 0.155 0.000 1.025 391 M CB -0.639 32.160 32.600 0.332 0.000 1.759 391 M HN -0.089 nan 8.290 nan 0.000 0.452 392 P HA 0.187 nan 4.420 nan 0.000 0.312 392 P C -0.213 177.022 177.300 -0.107 0.000 1.308 392 P CA -0.146 62.915 63.100 -0.065 0.000 0.743 392 P CB 0.963 32.415 31.700 -0.413 0.000 1.364 393 D N -1.657 118.599 120.400 -0.241 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 1.102 55.064 54.000 -0.062 0.000 0.863 393 D CB 0.125 40.866 40.800 -0.098 0.000 0.973 393 D HN 0.446 nan 8.370 nan 0.000 0.501 394 S N -0.921 114.471 115.700 -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 -0.916 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 1.026 120.789 119.950 -0.313 0.000 2.347 395 F HA 0.552 5.079 4.527 0.000 0.000 0.366 395 F C 0.653 176.401 175.800 -0.088 0.000 1.107 395 F CA -0.642 57.156 58.000 -0.337 0.000 1.058 395 F CB 1.447 39.947 39.000 -0.833 0.000 1.236 395 F HN 0.565 nan 8.300 nan 0.000 0.456 396 R N 2.846 123.378 120.500 0.053 0.000 2.216 396 R HA 0.580 4.920 4.340 -0.000 0.000 0.332 396 R C -1.363 175.011 176.300 0.123 0.000 1.056 396 R CA -0.227 55.912 56.100 0.065 0.000 0.901 396 R CB 0.768 31.060 30.300 -0.013 0.000 1.039 396 R HN 0.523 nan 8.270 nan 0.000 0.456 397 V N 6.160 126.153 119.914 0.132 0.000 2.235 397 V HA 0.376 4.496 4.120 -0.000 0.000 0.266 397 V C 0.936 177.091 176.094 0.102 0.000 1.055 397 V CA 0.318 62.653 62.300 0.058 0.000 0.844 397 V CB 0.225 31.995 31.823 -0.089 0.000 1.097 397 V HN 1.183 nan 8.190 nan 0.000 0.453 398 G N 6.330 115.172 108.800 0.070 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 -0.887 174.037 174.900 0.040 0.000 1.150 398 G CA 0.264 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 0.512 177.794 177.300 -0.030 0.000 1.156 399 P CA 0.876 63.978 63.100 0.004 0.000 0.787 399 P CB 0.108 31.814 31.700 0.011 0.000 0.802 400 Q N 1.251 121.037 119.800 -0.024 0.000 2.304 400 Q HA 0.157 4.497 4.340 -0.000 0.000 0.260 400 Q C -0.118 175.748 176.000 -0.223 0.000 0.965 400 Q CA 0.757 56.458 55.803 -0.170 0.000 0.898 400 Q CB 0.317 28.971 28.738 -0.140 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 -0.236 0.000 1.180 401 D CA -0.441 53.443 54.000 -0.193 0.000 0.894 401 D CB 0.357 41.085 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 1.500 177.446 175.900 0.076 0.000 1.164 402 Y CA -0.444 57.710 58.100 0.090 0.000 1.234 402 Y CB 1.316 39.868 38.460 0.152 0.000 1.219 402 Y HN 0.232 nan 8.280 nan 0.000 0.497 403 S N 0.993 116.858 115.700 0.274 0.000 2.669 403 S HA 0.172 4.642 4.470 -0.000 0.000 0.270 403 S C 0.595 175.348 174.600 0.256 0.000 1.225 403 S CA -0.548 57.781 58.200 0.214 0.000 0.991 403 S CB 0.423 63.753 63.200 0.217 0.000 0.987 403 S HN 0.639 nan 8.310 nan 0.000 0.552 404 Y N 1.538 121.872 120.300 0.056 0.000 2.128 404 Y HA -0.125 4.425 4.550 -0.000 0.000 0.284 404 Y C 2.697 178.653 175.900 0.093 0.000 1.154 404 Y CA 2.148 60.264 58.100 0.027 0.000 1.149 404 Y CB -0.388 37.736 38.460 -0.560 0.000 0.976 404 Y HN 0.738 nan 8.280 nan 0.000 0.505 405 E N 0.159 120.525 120.200 0.277 0.000 2.333 405 E HA -0.221 4.129 4.350 -0.000 0.000 0.198 405 E C 1.347 178.088 176.600 0.235 0.000 1.007 405 E CA 1.234 57.791 56.400 0.261 0.000 0.845 405 E CB -0.500 29.355 29.700 0.259 0.000 0.766 405 E HN 0.671 nan 8.360 nan 0.000 0.507 406 Q N -1.079 118.873 119.800 0.253 0.000 2.391 406 Q HA 0.117 4.457 4.340 -0.000 0.000 0.211 406 Q C 1.431 177.541 176.000 0.183 0.000 0.908 406 Q CA 0.080 56.032 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 1.116 121.036 119.950 -0.049 0.000 2.123 407 F HA -0.072 4.455 4.527 -0.000 0.000 0.289 407 F C 1.695 177.312 175.800 -0.306 0.000 1.099 407 F CA 0.469 58.315 58.000 -0.256 0.000 1.234 407 F CB -0.285 38.443 39.000 -0.453 0.000 1.034 407 F HN -0.078 nan 8.300 nan 0.000 0.479 408 L N -0.301 120.800 121.223 -0.205 0.000 2.095 408 L HA -0.299 4.041 4.340 -0.000 0.000 0.229 408 L C 1.271 177.532 176.870 -1.016 0.000 1.097 408 L CA 2.169 56.631 54.840 -0.630 0.000 0.813 408 L CB -1.223 40.449 42.059 -0.644 0.000 0.907 408 L HN 0.158 nan 8.230 nan 0.000 0.445 409 F N -2.194 117.728 119.950 -0.047 0.000 2.835 409 F HA 0.289 4.816 4.527 -0.000 0.000 0.342 409 F C 0.812 176.593 175.800 -0.032 0.000 1.202 409 F CA -0.928 57.051 58.000 -0.035 0.000 1.240 409 F CB -0.524 38.495 39.000 0.032 0.000 1.005 409 F HN -0.064 nan 8.300 nan 0.000 0.507 410 N N 1.860 120.520 118.700 -0.066 0.000 2.454 410 N HA -0.054 4.686 4.740 -0.000 0.000 0.285 410 N C 1.376 176.845 175.510 -0.069 0.000 1.233 410 N CA 0.558 53.562 53.050 -0.077 0.000 1.036 410 N CB 0.658 39.031 38.487 -0.190 0.000 1.423 410 N HN 0.374 nan 8.380 nan 0.000 0.495 411 T N -1.231 113.340 114.554 0.028 0.000 2.977 411 T HA -0.140 4.210 4.350 -0.000 0.000 0.271 411 T C 1.669 176.342 174.700 -0.046 0.000 1.105 411 T CA 1.390 63.507 62.100 0.028 0.000 1.116 411 T CB -0.059 68.834 68.868 0.042 0.000 0.878 411 T HN 0.408 nan 8.240 nan 0.000 0.509 412 S N 0.153 115.821 115.700 -0.053 0.000 2.497 412 S HA 0.248 4.718 4.470 -0.000 0.000 0.218 412 S C 1.955 176.517 174.600 -0.063 0.000 1.023 412 S CA 0.077 58.239 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 0.387 nan 8.310 nan 0.000 0.505 413 M N 0.951 120.503 119.600 -0.081 0.000 2.144 413 M HA -0.058 4.422 4.480 -0.000 0.000 0.260 413 M C 1.967 178.266 176.300 -0.002 0.000 1.067 413 M CA 1.568 56.844 55.300 -0.040 0.000 1.095 413 M CB -0.262 32.220 32.600 -0.196 0.000 1.365 413 M HN 0.489 nan 8.290 nan 0.000 0.406 414 L N -0.310 120.851 121.223 -0.103 0.000 2.044 414 L HA -0.083 4.257 4.340 -0.000 0.000 0.205 414 L C 1.999 178.801 176.870 -0.113 0.000 1.075 414 L CA 1.317 56.098 54.840 -0.099 0.000 0.747 414 L CB -0.428 41.545 42.059 -0.144 0.000 0.903 414 L HN 0.119 nan 8.230 nan 0.000 0.435 415 V N -0.035 119.727 119.914 -0.254 0.000 2.515 415 V HA -0.220 3.900 4.120 -0.000 0.000 0.250 415 V C 2.194 178.230 176.094 -0.096 0.000 1.058 415 V CA 1.648 63.746 62.300 -0.337 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 -0.463 119.907 120.400 -0.049 0.000 2.078 416 D HA -0.167 4.473 4.640 -0.000 0.000 0.193 416 D C 2.070 178.334 176.300 -0.060 0.000 0.990 416 D CA 1.811 55.783 54.000 -0.046 0.000 0.827 416 D CB -0.248 40.541 40.800 -0.017 0.000 0.975 416 D HN 0.521 nan 8.370 nan 0.000 0.451 417 Y N 0.285 120.561 120.300 -0.039 0.000 2.365 417 Y HA 0.226 4.776 4.550 0.000 0.000 0.293 417 Y C 1.528 177.417 175.900 -0.017 0.000 1.119 417 Y CA 0.842 58.926 58.100 -0.027 0.000 1.203 417 Y CB 0.021 38.453 38.460 -0.048 0.000 1.026 417 Y HN 0.046 nan 8.280 nan 0.000 0.549 418 G N -0.411 108.484 108.800 0.158 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 0.576 175.521 174.900 0.074 0.000 1.395 418 G CA -0.433 44.757 45.100 0.150 0.000 0.870 418 G HN 0.079 nan 8.290 nan 0.000 0.591 419 V N 1.722 121.667 119.914 0.051 0.000 2.222 419 V HA -0.310 3.810 4.120 -0.000 0.000 0.252 419 V C 2.764 178.805 176.094 -0.087 0.000 1.060 419 V CA 3.359 65.631 62.300 -0.046 0.000 1.027 419 V CB -0.996 30.778 31.823 -0.082 0.000 0.644 419 V HN 0.922 nan 8.190 nan 0.000 0.448 420 E N 0.424 120.587 120.200 -0.062 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 1.818 58.182 56.400 -0.060 0.000 0.818 420 E CB -0.696 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 0.760 123.568 122.820 -0.021 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 -0.146 0.000 1.193 421 A CA 1.661 53.701 52.037 0.005 0.000 0.629 421 A CB -0.874 18.230 19.000 0.173 0.000 0.826 421 A HN 0.200 nan 8.150 nan 0.000 0.447 422 L N -0.656 120.404 121.223 -0.271 0.000 2.056 422 L HA -0.143 4.197 4.340 -0.000 0.000 0.207 422 L C 2.510 178.984 176.870 -0.660 0.000 1.078 422 L CA 0.966 55.407 54.840 -0.665 0.000 0.749 422 L CB -0.548 41.127 42.059 -0.640 0.000 0.901 422 L HN 0.250 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 -0.313 3.807 4.120 -0.000 0.000 0.248 423 V C 2.289 178.345 176.094 -0.063 0.000 1.055 423 V CA 2.024 64.221 62.300 -0.173 0.000 1.049 423 V CB -0.485 31.253 31.823 -0.142 0.000 0.662 423 V HN 0.544 nan 8.190 nan 0.000 0.455 424 D N -0.009 120.356 120.400 -0.058 0.000 2.123 424 D HA -0.110 4.530 4.640 -0.000 0.000 0.200 424 D C 2.189 178.536 176.300 0.077 0.000 0.976 424 D CA 1.428 55.465 54.000 0.061 0.000 0.831 424 D CB 0.273 41.102 40.800 0.048 0.000 0.974 424 D HN 0.389 nan 8.370 nan 0.000 0.469 425 A N 0.622 123.409 122.820 -0.056 0.000 1.851 425 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 425 A C 2.039 179.739 177.584 0.194 0.000 1.195 425 A CA 1.290 53.316 52.037 -0.019 0.000 0.622 425 A CB -1.155 17.723 19.000 -0.204 0.000 0.831 425 A HN 0.233 nan 8.150 nan 0.000 0.444 426 F N 0.850 120.894 119.950 0.157 0.000 2.216 426 F HA -0.057 4.470 4.527 0.000 0.000 0.300 426 F C 2.692 178.622 175.800 0.217 0.000 1.085 426 F CA 0.867 58.996 58.000 0.215 0.000 1.326 426 F CB -1.241 37.952 39.000 0.322 0.000 1.027 426 F HN 0.121 nan 8.300 nan 0.000 0.497 427 S N -0.464 115.470 115.700 0.390 0.000 2.481 427 S HA -0.062 4.408 4.470 -0.000 0.000 0.231 427 S C 1.999 176.865 174.600 0.444 0.000 0.996 427 S CA 0.638 59.081 58.200 0.405 0.000 0.942 427 S CB -0.090 63.325 63.200 0.359 0.000 0.768 427 S HN 0.379 nan 8.310 nan 0.000 0.520 428 R N 0.455 121.130 120.500 0.292 0.000 2.206 428 R HA 0.186 4.526 4.340 -0.000 0.000 0.198 428 R C 0.976 177.343 176.300 0.112 0.000 0.986 428 R CA 0.079 56.263 56.100 0.141 0.000 1.029 428 R CB 0.146 30.474 30.300 0.047 0.000 0.966 428 R HN 0.348 nan 8.270 nan 0.000 0.487 429 Q N 3.064 122.952 119.800 0.146 0.000 2.314 429 Q HA 0.200 4.540 4.340 -0.000 0.000 0.257 429 Q C -2.279 173.765 176.000 0.074 0.000 0.975 429 Q CA -2.354 53.501 55.803 0.085 0.000 0.933 429 Q CB 1.231 30.020 28.738 0.085 0.000 1.195 429 Q HN -0.088 nan 8.270 nan 0.000 0.426 430 P HA 0.023 nan 4.420 nan 0.000 0.269 430 P C -1.263 176.091 177.300 0.090 0.000 1.209 430 P CA 0.065 63.198 63.100 0.056 0.000 0.776 430 P CB 0.984 32.732 31.700 0.079 0.000 0.876 431 A N 2.745 125.584 122.820 0.031 0.000 2.294 431 A HA 0.687 5.007 4.320 -0.000 0.000 0.330 431 A C 0.575 178.151 177.584 -0.015 0.000 1.133 431 A CA -0.416 51.637 52.037 0.027 0.000 0.836 431 A CB 0.537 19.484 19.000 -0.088 0.000 1.190 431 A HN 0.573 nan 8.150 nan 0.000 0.492 432 G N -0.051 108.703 108.800 -0.076 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 0.305 174.979 174.900 -0.377 0.000 1.195 432 G CA -0.561 44.262 45.100 -0.462 0.000 0.843 432 G HN 0.992 nan 8.290 nan 0.000 0.545 433 R N 0.741 120.992 120.500 -0.415 0.000 2.697 433 R HA 0.046 4.386 4.340 -0.000 0.000 0.265 433 R C 0.885 177.000 176.300 -0.309 0.000 1.009 433 R CA 0.172 56.063 56.100 -0.349 0.000 1.099 433 R CB 0.155 30.281 30.300 -0.289 0.000 0.965 433 R HN 0.507 nan 8.270 nan 0.000 0.428 434 I N 1.752 122.112 120.570 -0.351 0.000 3.081 434 I HA 0.164 4.334 4.170 -0.000 0.000 0.274 434 I C 1.351 177.389 176.117 -0.132 0.000 1.178 434 I CA 0.436 61.572 61.300 -0.274 0.000 1.460 434 I CB 0.052 37.750 38.000 -0.502 0.000 1.137 434 I HN 0.711 nan 8.210 nan 0.000 0.443 435 G N -0.540 108.197 108.800 -0.104 0.000 2.511 435 G HA2 0.482 4.442 3.960 -0.000 0.000 0.316 435 G HA3 0.482 4.442 3.960 -0.000 0.000 0.316 435 G C 0.700 175.540 174.900 -0.101 0.000 1.210 435 G CA 0.292 45.356 45.100 -0.060 0.000 0.969 435 G HN 0.367 nan 8.290 nan 0.000 0.492 436 G N -1.742 106.997 108.800 -0.102 0.000 2.376 436 G HA2 0.420 4.380 3.960 -0.000 0.000 0.208 436 G HA3 0.420 4.380 3.960 -0.000 0.000 0.208 436 G C 1.068 175.922 174.900 -0.078 0.000 1.032 436 G CA 0.875 45.919 45.100 -0.094 0.000 0.641 436 G HN 2.845 nan 8.290 nan 0.000 0.503 437 G N -0.587 108.168 108.800 -0.074 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 0.140 175.020 174.900 -0.033 0.000 1.236 437 G CA 0.292 45.371 45.100 -0.035 0.000 0.820 437 G HN 1.696 nan 8.290 nan 0.000 0.645 438 R N -0.781 119.714 120.500 -0.008 0.000 3.225 438 R HA -0.236 4.104 4.340 -0.000 0.000 0.245 438 R C 0.567 176.848 176.300 -0.032 0.000 0.928 438 R CA 1.124 57.212 56.100 -0.021 0.000 0.632 438 R CB -1.111 29.167 30.300 -0.037 0.000 1.038 438 R HN 0.643 nan 8.270 nan 0.000 0.461 439 N N 0.016 118.698 118.700 -0.031 0.000 2.184 439 N HA 0.239 4.979 4.740 -0.000 0.000 0.234 439 N C -0.615 174.897 175.510 0.003 0.000 1.282 439 N CA -0.189 52.831 53.050 -0.050 0.000 0.877 439 N CB 0.845 39.253 38.487 -0.132 0.000 1.184 439 N HN 0.293 nan 8.380 nan 0.000 0.510 440 I N 1.011 121.607 120.570 0.044 0.000 2.312 440 I HA 0.102 4.272 4.170 -0.000 0.000 0.291 440 I C 0.289 176.462 176.117 0.093 0.000 1.031 440 I CA -0.648 60.706 61.300 0.090 0.000 1.293 440 I CB 0.724 38.787 38.000 0.106 0.000 1.403 440 I HN 0.112 nan 8.210 nan 0.000 0.484 441 D N 6.005 126.471 120.400 0.110 0.000 2.525 441 D HA -0.133 4.507 4.640 -0.000 0.000 0.235 441 D C 1.388 177.691 176.300 0.004 0.000 1.137 441 D CA 0.227 54.272 54.000 0.074 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 3.138 122.186 119.070 -0.036 0.000 2.394 442 H HA -0.196 4.360 4.556 -0.000 0.000 0.297 442 H C 1.522 176.786 175.328 -0.106 0.000 1.113 442 H CA 1.858 57.853 56.048 -0.088 0.000 1.277 442 H CB -0.328 29.345 29.762 -0.149 0.000 1.370 442 H HN 0.527 nan 8.280 nan 0.000 0.506 443 H N 0.798 119.458 119.070 -0.684 0.000 2.426 443 H HA -0.083 4.473 4.556 -0.000 0.000 0.298 443 H C 1.841 177.112 175.328 -0.095 0.000 1.107 443 H CA 1.826 57.577 56.048 -0.495 0.000 1.298 443 H CB 0.176 29.365 29.762 -0.955 0.000 1.377 443 H HN 0.713 nan 8.280 nan 0.000 0.519 444 I N -1.970 118.634 120.570 0.056 0.000 4.081 444 I HA 0.092 4.262 4.170 -0.000 0.000 0.333 444 I C 1.678 177.760 176.117 -0.057 0.000 1.413 444 I CA -0.027 61.322 61.300 0.081 0.000 1.110 444 I CB -0.007 38.041 38.000 0.080 0.000 1.082 444 I HN -0.080 nan 8.210 nan 0.000 0.402 445 L N 2.645 123.898 121.223 0.050 0.000 2.349 445 L HA -0.210 4.130 4.340 -0.000 0.000 0.220 445 L C 2.798 179.670 176.870 0.003 0.000 1.130 445 L CA 1.931 56.789 54.840 0.031 0.000 0.791 445 L CB -0.723 41.379 42.059 0.071 0.000 0.918 445 L HN 0.505 nan 8.230 nan 0.000 0.444 446 H N -2.469 116.591 119.070 -0.018 0.000 2.389 446 H HA -0.079 4.477 4.556 -0.000 0.000 0.299 446 H C 2.044 177.330 175.328 -0.071 0.000 1.081 446 H CA 1.651 57.683 56.048 -0.027 0.000 1.345 446 H CB -1.146 28.608 29.762 -0.013 0.000 1.393 446 H HN 0.306 nan 8.280 nan 0.000 0.520 447 V N 2.031 121.470 119.914 -0.791 0.000 2.332 447 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 447 V C 3.206 179.053 176.094 -0.411 0.000 1.055 447 V CA 1.917 63.828 62.300 -0.648 0.000 1.038 447 V CB -1.190 30.115 31.823 -0.865 0.000 0.651 447 V HN 0.668 nan 8.190 nan 0.000 0.450 448 A N -0.431 122.233 122.820 -0.259 0.000 1.969 448 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 448 A C 2.378 179.897 177.584 -0.108 0.000 1.169 448 A CA 1.791 53.757 52.037 -0.119 0.000 0.635 448 A CB -0.544 18.532 19.000 0.127 0.000 0.810 448 A HN 0.346 nan 8.150 nan 0.000 0.445 449 V N 0.723 120.597 119.914 -0.066 0.000 2.261 449 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 449 V C 2.188 178.239 176.094 -0.072 0.000 1.047 449 V CA 2.290 64.576 62.300 -0.022 0.000 1.015 449 V CB -0.791 31.047 31.823 0.024 0.000 0.642 449 V HN 0.508 nan 8.190 nan 0.000 0.446 450 D N 0.100 120.434 120.400 -0.111 0.000 2.123 450 D HA -0.147 4.493 4.640 -0.000 0.000 0.196 450 D C 2.202 178.376 176.300 -0.211 0.000 0.992 450 D CA 1.406 55.330 54.000 -0.127 0.000 0.833 450 D CB -0.417 40.309 40.800 -0.124 0.000 0.954 450 D HN 0.325 nan 8.370 nan 0.000 0.455 451 V N 1.357 121.052 119.914 -0.365 0.000 2.287 451 V HA -0.252 3.868 4.120 -0.000 0.000 0.248 451 V C 2.567 178.459 176.094 -0.337 0.000 1.053 451 V CA 1.324 63.310 62.300 -0.524 0.000 1.027 451 V CB -0.426 30.794 31.823 -1.004 0.000 0.646 451 V HN 0.172 nan 8.190 nan 0.000 0.447 452 I N -0.497 119.937 120.570 -0.227 0.000 2.286 452 I HA -0.262 3.908 4.170 -0.000 0.000 0.248 452 I C 2.496 178.595 176.117 -0.030 0.000 1.115 452 I CA 1.651 62.920 61.300 -0.053 0.000 1.392 452 I CB -0.421 37.612 38.000 0.055 0.000 1.065 452 I HN 0.279 nan 8.210 nan 0.000 0.418 453 K N 0.460 120.832 120.400 -0.048 0.000 2.057 453 K HA -0.232 4.088 4.320 -0.000 0.000 0.206 453 K C 2.077 178.656 176.600 -0.035 0.000 1.050 453 K CA 1.553 57.826 56.287 -0.024 0.000 0.935 453 K CB -0.229 32.259 32.500 -0.020 0.000 0.715 453 K HN 0.329 nan 8.250 nan 0.000 0.439 454 E N 1.068 121.223 120.200 -0.075 0.000 2.110 454 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 454 E C 2.073 178.634 176.600 -0.066 0.000 0.988 454 E CA 1.359 57.713 56.400 -0.076 0.000 0.804 454 E CB -0.018 29.610 29.700 -0.120 0.000 0.745 454 E HN 0.192 nan 8.360 nan 0.000 0.458 455 S N 0.332 115.989 115.700 -0.071 0.000 2.374 455 S HA -0.241 4.229 4.470 -0.000 0.000 0.227 455 S C 1.985 176.582 174.600 -0.005 0.000 1.037 455 S CA 1.611 59.788 58.200 -0.038 0.000 1.024 455 S CB -0.292 62.914 63.200 0.009 0.000 0.861 455 S HN 0.321 nan 8.310 nan 0.000 0.456 456 R N -0.038 120.470 120.500 0.012 0.000 2.090 456 R HA 0.057 4.397 4.340 -0.000 0.000 0.228 456 R C 2.361 178.672 176.300 0.018 0.000 1.110 456 R CA 1.316 57.434 56.100 0.030 0.000 0.973 456 R CB -0.583 29.742 30.300 0.042 0.000 0.869 456 R HN 0.350 nan 8.270 nan 0.000 0.440 457 V N 1.177 121.093 119.914 0.004 0.000 2.343 457 V HA -0.199 3.921 4.120 -0.000 0.000 0.247 457 V C 1.953 178.047 176.094 0.000 0.000 1.051 457 V CA 1.402 63.706 62.300 0.006 0.000 1.036 457 V CB -0.328 31.496 31.823 0.000 0.000 0.654 457 V HN 0.186 nan 8.190 nan 0.000 0.451 458 L N -0.197 121.015 121.223 -0.018 0.000 2.456 458 L HA 0.058 4.398 4.340 -0.000 0.000 0.224 458 L C 1.417 178.277 176.870 -0.015 0.000 1.148 458 L CA 1.054 55.876 54.840 -0.031 0.000 0.825 458 L CB -1.165 40.856 42.059 -0.063 0.000 0.937 458 L HN 0.387 nan 8.230 nan 0.000 0.450 459 R N -0.839 119.663 120.500 0.004 0.000 3.333 459 R HA -0.193 4.147 4.340 -0.000 0.000 0.256 459 R C -0.209 176.107 176.300 0.026 0.000 1.010 459 R CA -0.101 56.013 56.100 0.023 0.000 0.680 459 R CB -1.815 28.499 30.300 0.024 0.000 1.102 459 R HN 0.095 nan 8.270 nan 0.000 0.440 460 L N 1.310 122.542 121.223 0.015 0.000 2.506 460 L HA 0.006 4.346 4.340 -0.000 0.000 0.281 460 L C 1.499 178.423 176.870 0.089 0.000 1.228 460 L CA 1.089 55.937 54.840 0.013 0.000 0.850 460 L CB 0.351 42.367 42.059 -0.072 0.000 1.110 460 L HN 0.317 nan 8.230 nan 0.000 0.496 461 Q N 2.991 122.886 119.800 0.158 0.000 2.407 461 Q HA 0.233 4.573 4.340 -0.000 0.000 0.214 461 Q C -2.060 174.086 176.000 0.242 0.000 1.043 461 Q CA -1.479 54.398 55.803 0.123 0.000 0.983 461 Q CB 0.367 29.021 28.738 -0.141 0.000 1.211 461 Q HN 0.438 nan 8.270 nan 0.000 0.564 462 P HA -0.071 nan 4.420 nan 0.000 0.272 462 P C -0.306 177.228 177.300 0.389 0.000 1.223 462 P CA 0.090 63.340 63.100 0.251 0.000 0.784 462 P CB 0.340 32.160 31.700 0.200 0.000 0.923 463 F N 2.836 122.929 119.950 0.237 0.000 2.091 463 F HA -0.307 4.220 4.527 -0.000 0.000 0.299 463 F C 1.782 177.724 175.800 0.237 0.000 1.103 463 F CA 1.976 60.148 58.000 0.287 0.000 1.228 463 F CB -0.565 38.485 39.000 0.083 0.000 0.984 463 F HN 0.249 nan 8.300 nan 0.000 0.477 464 N N 0.467 119.338 118.700 0.285 0.000 2.272 464 N HA -0.158 4.582 4.740 -0.000 0.000 0.185 464 N C 1.684 177.172 175.510 -0.036 0.000 1.014 464 N CA 1.222 54.326 53.050 0.090 0.000 0.870 464 N CB -0.309 38.242 38.487 0.107 0.000 0.975 464 N HN 0.399 nan 8.380 nan 0.000 0.433 465 E N -0.673 119.511 120.200 -0.027 0.000 2.107 465 E HA -0.099 4.251 4.350 -0.000 0.000 0.191 465 E C 1.609 178.044 176.600 -0.276 0.000 0.982 465 E CA 0.662 56.943 56.400 -0.199 0.000 0.809 465 E CB -0.370 29.113 29.700 -0.362 0.000 0.756 465 E HN 0.520 nan 8.360 nan 0.000 0.459 466 Y N 1.158 121.405 120.300 -0.089 0.000 2.242 466 Y HA -0.126 4.424 4.550 -0.000 0.000 0.291 466 Y C 2.482 178.378 175.900 -0.007 0.000 1.137 466 Y CA 1.063 59.181 58.100 0.029 0.000 1.181 466 Y CB 0.037 38.605 38.460 0.182 0.000 0.989 466 Y HN -0.063 nan 8.280 nan 0.000 0.527 467 R N 0.645 121.061 120.500 -0.139 0.000 2.083 467 R HA -0.165 4.175 4.340 -0.000 0.000 0.237 467 R C 1.982 178.222 176.300 -0.100 0.000 1.137 467 R CA 1.589 57.568 56.100 -0.202 0.000 0.951 467 R CB -0.545 29.562 30.300 -0.320 0.000 0.851 467 R HN 0.397 nan 8.270 nan 0.000 0.434 468 K N -0.076 120.240 120.400 -0.141 0.000 2.057 468 K HA -0.073 4.247 4.320 -0.000 0.000 0.206 468 K C 2.169 178.668 176.600 -0.168 0.000 1.050 468 K CA 0.515 56.708 56.287 -0.156 0.000 0.935 468 K CB -0.141 32.242 32.500 -0.196 0.000 0.715 468 K HN -0.115 nan 8.250 nan 0.000 0.439 469 R N 0.913 121.284 120.500 -0.216 0.000 2.103 469 R HA -0.085 4.255 4.340 -0.000 0.000 0.242 469 R C 1.234 177.280 176.300 -0.422 0.000 1.142 469 R CA 1.486 57.373 56.100 -0.356 0.000 0.960 469 R CB -0.547 29.471 30.300 -0.471 0.000 0.858 469 R HN 0.166 nan 8.270 nan 0.000 0.439 470 F N -0.285 119.595 119.950 -0.118 0.000 2.701 470 F HA 0.258 4.785 4.527 -0.000 0.000 0.295 470 F C 1.348 177.104 175.800 -0.073 0.000 1.165 470 F CA 0.468 58.415 58.000 -0.087 0.000 1.399 470 F CB 0.151 39.121 39.000 -0.050 0.000 0.996 470 F HN 0.249 nan 8.300 nan 0.000 0.513 471 G N 0.716 109.516 108.800 0.001 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 0.083 174.985 174.900 0.003 0.000 1.024 471 G CA 0.031 45.133 45.100 0.004 0.000 0.755 471 G HN 0.341 nan 8.290 nan 0.000 0.507 472 M N -1.263 118.322 119.600 -0.025 0.000 2.705 472 M HA 0.605 5.085 4.480 -0.000 0.000 0.311 472 M C 0.299 176.538 176.300 -0.102 0.000 1.214 472 M CA -1.046 54.218 55.300 -0.060 0.000 0.920 472 M CB 1.618 34.166 32.600 -0.088 0.000 1.687 472 M HN -0.023 nan 8.290 nan 0.000 0.481 473 K N 2.574 122.905 120.400 -0.115 0.000 2.249 473 K HA 0.348 4.668 4.320 -0.000 0.000 0.280 473 K C -2.344 174.131 176.600 -0.208 0.000 1.033 473 K CA -1.205 55.011 56.287 -0.119 0.000 0.946 473 K CB 0.559 33.013 32.500 -0.077 0.000 1.005 473 K HN 0.181 nan 8.250 nan 0.000 0.469 474 P HA 0.013 nan 4.420 nan 0.000 0.275 474 P C -0.839 176.386 177.300 -0.125 0.000 1.228 474 P CA -0.216 62.786 63.100 -0.163 0.000 0.786 474 P CB 0.415 32.071 31.700 -0.074 0.000 0.927 475 Y N 0.687 121.002 120.300 0.024 0.000 2.497 475 Y HA 0.008 4.558 4.550 -0.000 0.000 0.334 475 Y C 2.135 178.005 175.900 -0.051 0.000 1.199 475 Y CA 0.729 58.821 58.100 -0.012 0.000 1.425 475 Y CB -0.159 38.280 38.460 -0.035 0.000 1.291 475 Y HN 0.367 nan 8.280 nan 0.000 0.562 476 T N -1.776 112.871 114.554 0.155 0.000 3.057 476 T HA 0.130 4.480 4.350 -0.000 0.000 0.254 476 T C 0.221 174.929 174.700 0.014 0.000 1.094 476 T CA 0.507 62.645 62.100 0.063 0.000 1.088 476 T CB -0.084 68.822 68.868 0.062 0.000 0.934 476 T HN 0.527 nan 8.240 nan 0.000 0.497 477 S N -0.805 114.882 115.700 -0.022 0.000 2.565 477 S HA 0.543 5.013 4.470 -0.000 0.000 0.269 477 S C -0.161 174.341 174.600 -0.164 0.000 1.153 477 S CA -0.914 57.248 58.200 -0.064 0.000 0.835 477 S CB 0.321 63.538 63.200 0.028 0.000 1.122 477 S HN -0.093 nan 8.310 nan 0.000 0.462 478 F N 1.883 121.804 119.950 -0.049 0.000 2.216 478 F HA -0.066 4.461 4.527 -0.000 0.000 0.300 478 F C 2.791 178.505 175.800 -0.144 0.000 1.085 478 F CA 1.621 59.552 58.000 -0.115 0.000 1.326 478 F CB -0.187 38.767 39.000 -0.077 0.000 1.027 478 F HN 0.646 nan 8.300 nan 0.000 0.497 479 Q N 0.504 120.355 119.800 0.086 0.000 2.437 479 Q HA -0.200 4.140 4.340 -0.000 0.000 0.210 479 Q C 1.598 177.570 176.000 -0.047 0.000 0.972 479 Q CA 1.325 57.141 55.803 0.023 0.000 0.903 479 Q CB -0.735 28.029 28.738 0.043 0.000 0.967 479 Q HN 0.599 nan 8.270 nan 0.000 0.486 480 E N 0.284 120.419 120.200 -0.109 0.000 2.251 480 E HA -0.019 4.331 4.350 -0.000 0.000 0.194 480 E C 1.763 178.105 176.600 -0.431 0.000 0.964 480 E CA -0.068 56.248 56.400 -0.141 0.000 0.868 480 E CB 0.246 29.930 29.700 -0.026 0.000 0.828 480 E HN 0.237 nan 8.360 nan 0.000 0.481 481 L N 1.465 122.263 121.223 -0.708 0.000 1.950 481 L HA -0.003 4.337 4.340 -0.000 0.000 0.210 481 L C 1.352 177.939 176.870 -0.471 0.000 1.079 481 L CA 1.877 56.079 54.840 -1.064 0.000 0.754 481 L CB -0.821 40.746 42.059 -0.820 0.000 0.889 481 L HN 0.105 nan 8.230 nan 0.000 0.433 482 T N -1.904 112.489 114.554 -0.269 0.000 2.898 482 T HA 0.348 4.698 4.350 -0.000 0.000 0.301 482 T C 0.901 175.535 174.700 -0.110 0.000 1.049 482 T CA -0.243 61.768 62.100 -0.149 0.000 1.095 482 T CB 0.945 69.769 68.868 -0.074 0.000 0.976 482 T HN 0.437 nan 8.240 nan 0.000 0.539 483 G N 1.479 110.236 108.800 -0.071 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 0.145 175.035 174.900 -0.017 0.000 1.262 483 G CA -0.175 44.902 45.100 -0.038 0.000 0.959 483 G HN 0.955 nan 8.290 nan 0.000 0.524 484 E N -1.870 118.320 120.200 -0.016 0.000 2.390 484 E HA 0.601 4.951 4.350 -0.000 0.000 0.242 484 E C 0.352 176.959 176.600 0.013 0.000 0.907 484 E CA -0.843 55.557 56.400 0.001 0.000 0.884 484 E CB 0.645 30.346 29.700 0.001 0.000 1.788 484 E HN -0.214 nan 8.360 nan 0.000 0.427 485 K N -0.415 119.996 120.400 0.018 0.000 2.424 485 K HA 0.197 4.517 4.320 -0.000 0.000 0.198 485 K C 1.565 178.181 176.600 0.027 0.000 1.190 485 K CA 0.730 57.032 56.287 0.025 0.000 0.935 485 K CB 0.398 32.911 32.500 0.022 0.000 1.087 485 K HN 0.634 nan 8.250 nan 0.000 0.524 486 E N 1.166 121.380 120.200 0.023 0.000 2.001 486 E HA -0.068 4.282 4.350 -0.000 0.000 0.193 486 E C 1.974 178.604 176.600 0.051 0.000 0.994 486 E CA 1.262 57.676 56.400 0.024 0.000 0.815 486 E CB 0.067 29.773 29.700 0.009 0.000 0.770 486 E HN 0.053 nan 8.360 nan 0.000 0.453 487 M N 0.276 119.925 119.600 0.081 0.000 2.117 487 M HA -0.168 4.312 4.480 -0.000 0.000 0.262 487 M C 2.462 178.822 176.300 0.101 0.000 1.065 487 M CA 1.442 56.860 55.300 0.196 0.000 1.114 487 M CB -0.302 32.432 32.600 0.223 0.000 1.361 487 M HN 0.297 nan 8.290 nan 0.000 0.408 488 A N 0.600 123.445 122.820 0.041 0.000 1.892 488 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 488 A C 2.354 179.913 177.584 -0.041 0.000 1.188 488 A CA 2.323 54.377 52.037 0.028 0.000 0.631 488 A CB -1.109 17.939 19.000 0.081 0.000 0.822 488 A HN 0.540 nan 8.150 nan 0.000 0.447 489 A N -0.829 121.993 122.820 0.003 0.000 1.908 489 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 489 A C 2.066 179.626 177.584 -0.041 0.000 1.181 489 A CA 1.962 53.996 52.037 -0.006 0.000 0.627 489 A CB -0.494 18.516 19.000 0.017 0.000 0.818 489 A HN 0.703 nan 8.150 nan 0.000 0.445 490 E N -0.482 119.719 120.200 0.002 0.000 2.112 490 E HA -0.033 4.317 4.350 -0.000 0.000 0.190 490 E C 1.933 178.511 176.600 -0.036 0.000 0.979 490 E CA 0.437 56.869 56.400 0.054 0.000 0.814 490 E CB -0.137 29.670 29.700 0.178 0.000 0.762 490 E HN 0.614 nan 8.360 nan 0.000 0.460 491 L N 0.964 122.046 121.223 -0.234 0.000 2.046 491 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 491 L C 2.635 178.974 176.870 -0.886 0.000 1.077 491 L CA 1.525 56.002 54.840 -0.604 0.000 0.747 491 L CB -0.370 41.171 42.059 -0.863 0.000 0.896 491 L HN 0.266 nan 8.230 nan 0.000 0.432 492 E N 0.616 120.241 120.200 -0.958 0.000 2.058 492 E HA -0.287 4.063 4.350 -0.000 0.000 0.194 492 E C 1.945 178.448 176.600 -0.162 0.000 0.997 492 E CA 1.757 57.817 56.400 -0.567 0.000 0.801 492 E CB 0.035 29.660 29.700 -0.125 0.000 0.746 492 E HN 0.656 nan 8.360 nan 0.000 0.450 493 E N 0.016 120.149 120.200 -0.112 0.000 2.347 493 E HA -0.136 4.214 4.350 -0.000 0.000 0.196 493 E C 2.094 178.665 176.600 -0.048 0.000 1.008 493 E CA 0.470 56.847 56.400 -0.038 0.000 0.852 493 E CB -0.059 29.632 29.700 -0.015 0.000 0.783 493 E HN 0.339 nan 8.360 nan 0.000 0.505 494 L N -0.531 120.634 121.223 -0.096 0.000 2.130 494 L HA -0.015 4.325 4.340 -0.000 0.000 0.200 494 L C 2.011 178.755 176.870 -0.209 0.000 1.075 494 L CA 0.799 55.548 54.840 -0.152 0.000 0.768 494 L CB -0.195 41.757 42.059 -0.178 0.000 0.933 494 L HN 0.086 nan 8.230 nan 0.000 0.451 495 Y N -0.267 120.008 120.300 -0.042 0.000 2.314 495 Y HA 0.036 4.586 4.550 -0.000 0.000 0.294 495 Y C 2.038 178.007 175.900 0.115 0.000 1.119 495 Y CA 0.996 59.141 58.100 0.075 0.000 1.179 495 Y CB -0.156 38.430 38.460 0.210 0.000 1.025 495 Y HN 0.304 nan 8.280 nan 0.000 0.541 496 G N -0.942 108.006 108.800 0.246 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 0.074 175.136 174.900 0.269 0.000 1.275 496 G CA 0.303 45.523 45.100 0.199 0.000 0.769 496 G HN 0.331 nan 8.290 nan 0.000 0.527 497 D N -0.448 120.149 120.400 0.328 0.000 2.575 497 D HA 0.561 5.201 4.640 -0.000 0.000 0.236 497 D C 1.048 177.483 176.300 0.225 0.000 1.075 497 D CA -0.437 53.716 54.000 0.254 0.000 0.860 497 D CB 2.086 42.980 40.800 0.157 0.000 1.475 497 D HN 0.121 nan 8.370 nan 0.000 0.474 498 I N 1.624 122.170 120.570 -0.041 0.000 2.546 498 I HA -0.132 4.038 4.170 -0.000 0.000 0.255 498 I C 1.107 177.120 176.117 -0.175 0.000 1.163 498 I CA 1.324 62.325 61.300 -0.498 0.000 1.457 498 I CB -0.009 37.664 38.000 -0.544 0.000 1.092 498 I HN 0.270 nan 8.210 nan 0.000 0.434 499 D N 0.731 121.119 120.400 -0.021 0.000 2.371 499 D HA 0.095 4.735 4.640 -0.000 0.000 0.234 499 D C 1.545 177.898 176.300 0.087 0.000 1.049 499 D CA 0.933 54.963 54.000 0.050 0.000 0.907 499 D CB 0.205 41.047 40.800 0.070 0.000 0.891 499 D HN 0.516 nan 8.370 nan 0.000 0.531 500 A N -0.070 122.797 122.820 0.080 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 -0.385 51.723 52.037 0.117 0.000 0.946 500 A CB 0.252 19.382 19.000 0.217 0.000 1.049 500 A HN 0.151 nan 8.150 nan 0.000 0.529 501 L N 2.102 123.196 121.223 -0.215 0.000 2.534 501 L HA 0.162 4.502 4.340 -0.000 0.000 0.271 501 L C 0.321 177.034 176.870 -0.262 0.000 1.178 501 L CA 0.202 54.694 54.840 -0.580 0.000 0.907 501 L CB -0.277 41.540 42.059 -0.403 0.000 1.164 501 L HN 0.379 nan 8.230 nan 0.000 0.482 502 E N 3.560 123.574 120.200 -0.310 0.000 2.422 502 E HA -0.092 4.258 4.350 -0.000 0.000 0.260 502 E C 0.481 177.173 176.600 0.153 0.000 1.108 502 E CA 0.042 56.471 56.400 0.047 0.000 0.943 502 E CB 0.423 30.210 29.700 0.144 0.000 0.961 502 E HN 0.665 nan 8.360 nan 0.000 0.443 503 F N 1.787 121.795 119.950 0.097 0.000 1.993 503 F HA -0.330 4.197 4.527 -0.000 0.000 0.297 503 F C 2.179 178.073 175.800 0.156 0.000 1.177 503 F CA 1.880 59.957 58.000 0.128 0.000 1.182 503 F CB -0.661 38.262 39.000 -0.130 0.000 0.958 503 F HN 0.640 nan 8.300 nan 0.000 0.496 504 Y N 1.303 121.605 120.300 0.002 0.000 2.040 504 Y HA -0.222 4.328 4.550 -0.000 0.000 0.275 504 Y C -0.711 175.104 175.900 -0.141 0.000 1.171 504 Y CA 2.573 60.609 58.100 -0.107 0.000 1.123 504 Y CB -2.022 36.434 38.460 -0.008 0.000 0.963 504 Y HN 0.097 nan 8.280 nan 0.000 0.493 505 P HA -0.136 nan 4.420 nan 0.000 0.215 505 P C 1.695 178.768 177.300 -0.378 0.000 1.157 505 P CA 2.511 65.500 63.100 -0.186 0.000 0.868 505 P CB -0.510 31.167 31.700 -0.038 0.000 0.788 506 G N -0.523 107.981 108.800 -0.493 0.000 2.462 506 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.220 506 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.220 506 G C 1.434 175.782 174.900 -0.920 0.000 1.121 506 G CA 0.561 45.028 45.100 -1.055 0.000 0.758 506 G HN 0.238 nan 8.290 nan 0.000 0.559 507 L N -0.723 120.209 121.223 -0.484 0.000 2.179 507 L HA 0.199 4.539 4.340 -0.000 0.000 0.208 507 L C 2.516 179.211 176.870 -0.291 0.000 1.096 507 L CA 0.415 55.080 54.840 -0.291 0.000 0.779 507 L CB -0.094 41.736 42.059 -0.381 0.000 0.922 507 L HN 0.176 nan 8.230 nan 0.000 0.443 508 L N -1.100 119.889 121.223 -0.389 0.000 2.554 508 L HA 0.037 4.377 4.340 -0.000 0.000 0.225 508 L C 1.877 178.606 176.870 -0.236 0.000 1.104 508 L CA 0.132 54.787 54.840 -0.309 0.000 0.866 508 L CB 0.220 42.024 42.059 -0.425 0.000 1.047 508 L HN 0.212 nan 8.230 nan 0.000 0.468 509 L N -0.906 120.153 121.223 -0.274 0.000 2.463 509 L HA 0.102 4.442 4.340 -0.000 0.000 0.219 509 L C 1.264 177.999 176.870 -0.226 0.000 1.088 509 L CA 0.001 54.705 54.840 -0.226 0.000 0.849 509 L CB 0.088 41.994 42.059 -0.254 0.000 1.012 509 L HN 0.207 nan 8.230 nan 0.000 0.468 510 E N 3.052 123.091 120.200 -0.267 0.000 2.436 510 E HA -0.032 4.318 4.350 -0.000 0.000 0.262 510 E C -0.181 176.322 176.600 -0.162 0.000 1.063 510 E CA -0.421 55.843 56.400 -0.227 0.000 0.944 510 E CB 0.665 30.291 29.700 -0.124 0.000 0.950 510 E HN 0.124 nan 8.360 nan 0.000 0.444 511 K N 2.550 122.864 120.400 -0.144 0.000 2.401 511 K HA 0.123 4.443 4.320 -0.000 0.000 0.278 511 K C -0.662 175.858 176.600 -0.133 0.000 1.018 511 K CA -0.681 55.541 56.287 -0.108 0.000 0.981 511 K CB 0.522 32.980 32.500 -0.071 0.000 0.933 511 K HN 0.331 nan 8.250 nan 0.000 0.477 512 C N 2.698 121.933 119.300 -0.108 0.000 2.604 512 C HA 0.166 4.626 4.460 -0.000 0.000 0.396 512 C C 0.546 175.496 174.990 -0.067 0.000 1.282 512 C CA -0.428 58.514 59.018 -0.126 0.000 2.292 512 C CB -0.650 27.046 27.740 -0.073 0.000 2.633 512 C HN 0.778 nan 8.230 nan 0.000 0.620 513 H N 1.970 121.015 119.070 -0.041 0.000 2.615 513 H HA 0.114 4.670 4.556 -0.000 0.000 0.363 513 H C -1.240 174.089 175.328 0.001 0.000 1.148 513 H CA -0.676 55.343 56.048 -0.048 0.000 1.401 513 H CB 0.301 29.934 29.762 -0.215 0.000 1.461 513 H HN 0.510 nan 8.280 nan 0.000 0.588 514 P HA -0.335 nan 4.420 nan 0.000 0.251 514 P C -0.332 177.015 177.300 0.078 0.000 0.764 514 P CA 1.917 65.092 63.100 0.126 0.000 1.085 514 P CB 0.080 31.869 31.700 0.148 0.000 0.796 515 N N -1.989 116.754 118.700 0.072 0.000 2.610 515 N HA 0.234 4.974 4.740 -0.000 0.000 0.309 515 N C -0.881 174.631 175.510 0.004 0.000 1.536 515 N CA -0.146 52.919 53.050 0.025 0.000 0.954 515 N CB 0.278 38.778 38.487 0.022 0.000 1.310 515 N HN 0.057 nan 8.380 nan 0.000 0.502 516 S N -0.049 115.664 115.700 0.022 0.000 2.672 516 S HA 0.301 4.771 4.470 -0.000 0.000 0.276 516 S C 1.238 175.772 174.600 -0.110 0.000 1.207 516 S CA -0.757 57.445 58.200 0.002 0.000 1.002 516 S CB 1.549 64.809 63.200 0.101 0.000 0.998 516 S HN 0.300 nan 8.310 nan 0.000 0.542 517 I N 0.469 120.902 120.570 -0.229 0.000 2.876 517 I HA 0.090 4.260 4.170 -0.000 0.000 0.264 517 I C -0.609 175.278 176.117 -0.383 0.000 1.204 517 I CA 0.889 61.909 61.300 -0.466 0.000 1.485 517 I CB 0.047 37.552 38.000 -0.825 0.000 1.103 517 I HN 0.597 nan 8.210 nan 0.000 0.446 518 F N -1.144 118.670 119.950 -0.227 0.000 3.250 518 F HA 0.758 5.285 4.527 -0.000 0.000 0.326 518 F C -0.357 175.270 175.800 -0.290 0.000 1.154 518 F CA -1.328 56.529 58.000 -0.238 0.000 0.870 518 F CB -0.164 38.694 39.000 -0.238 0.000 1.476 518 F HN -0.298 nan 8.300 nan 0.000 0.491 519 G N -0.956 107.723 108.800 -0.202 0.000 2.733 519 G HA2 0.501 4.461 3.960 -0.000 0.000 0.288 519 G HA3 0.501 4.461 3.960 -0.000 0.000 0.288 519 G C -0.073 174.508 174.900 -0.532 0.000 1.373 519 G CA 0.028 44.731 45.100 -0.662 0.000 0.895 519 G HN 1.029 nan 8.290 nan 0.000 0.479 520 E N -0.533 119.323 120.200 -0.573 0.000 2.813 520 E HA -0.376 3.974 4.350 -0.000 0.000 0.233 520 E C 2.458 179.010 176.600 -0.080 0.000 0.922 520 E CA 2.999 59.371 56.400 -0.047 0.000 1.351 520 E CB -0.592 29.157 29.700 0.082 0.000 1.349 520 E HN 0.367 nan 8.360 nan 0.000 0.485 521 S N -0.310 115.356 115.700 -0.058 0.000 2.368 521 S HA -0.295 4.175 4.470 -0.000 0.000 0.226 521 S C 1.816 176.307 174.600 -0.181 0.000 1.044 521 S CA 1.958 60.107 58.200 -0.086 0.000 1.062 521 S CB -0.442 62.788 63.200 0.050 0.000 0.931 521 S HN 0.364 nan 8.310 nan 0.000 0.440 522 M N 1.184 120.623 119.600 -0.268 0.000 2.106 522 M HA -0.055 4.425 4.480 -0.000 0.000 0.259 522 M C 1.747 177.791 176.300 -0.426 0.000 1.068 522 M CA 1.622 56.677 55.300 -0.407 0.000 1.100 522 M CB -0.430 31.692 32.600 -0.797 0.000 1.351 522 M HN 0.288 nan 8.290 nan 0.000 0.404 523 I N -0.743 119.567 120.570 -0.433 0.000 2.617 523 I HA -0.140 4.030 4.170 -0.000 0.000 0.256 523 I C 1.475 177.540 176.117 -0.087 0.000 1.167 523 I CA 0.697 61.858 61.300 -0.232 0.000 1.469 523 I CB -0.351 37.576 38.000 -0.122 0.000 1.098 523 I HN 0.271 nan 8.210 nan 0.000 0.436 524 E N -0.142 120.006 120.200 -0.087 0.000 2.472 524 E HA 0.091 4.441 4.350 -0.000 0.000 0.196 524 E C 1.733 178.256 176.600 -0.129 0.000 1.033 524 E CA 0.489 56.867 56.400 -0.037 0.000 0.886 524 E CB 0.619 30.330 29.700 0.018 0.000 0.944 524 E HN 0.500 nan 8.360 nan 0.000 0.492 525 M N -1.149 118.272 119.600 -0.298 0.000 2.669 525 M HA 0.180 4.660 4.480 -0.000 0.000 0.248 525 M C 2.015 178.169 176.300 -0.244 0.000 1.382 525 M CA 0.704 55.570 55.300 -0.723 0.000 1.158 525 M CB 0.354 32.610 32.600 -0.573 0.000 1.371 525 M HN 0.039 nan 8.290 nan 0.000 0.540 526 G N 0.225 108.963 108.800 -0.103 0.000 2.471 526 G HA2 0.004 3.964 3.960 -0.000 0.000 0.219 526 G HA3 0.004 3.964 3.960 -0.000 0.000 0.219 526 G C 1.458 176.376 174.900 0.030 0.000 1.125 526 G CA 1.040 46.154 45.100 0.023 0.000 0.775 526 G HN 0.467 nan 8.290 nan 0.000 0.548 527 A N 1.192 124.005 122.820 -0.011 0.000 1.871 527 A HA 0.318 4.638 4.320 -0.000 0.000 0.211 527 A C 0.522 178.089 177.584 -0.027 0.000 1.207 527 A CA 1.138 53.181 52.037 0.011 0.000 0.620 527 A CB -0.838 18.170 19.000 0.013 0.000 0.860 527 A HN 0.282 nan 8.150 nan 0.000 0.450 528 P HA -0.195 nan 4.420 nan 0.000 0.208 528 P C 1.055 178.255 177.300 -0.167 0.000 1.180 528 P CA 1.457 64.492 63.100 -0.109 0.000 0.935 528 P CB -0.293 31.329 31.700 -0.130 0.000 0.785 529 F N -0.564 119.238 119.950 -0.247 0.000 2.063 529 F HA -0.246 4.281 4.527 -0.000 0.000 0.297 529 F C 2.654 178.102 175.800 -0.587 0.000 1.099 529 F CA 2.067 59.731 58.000 -0.561 0.000 1.220 529 F CB -1.729 36.581 39.000 -1.150 0.000 0.972 529 F HN -0.050 nan 8.300 nan 0.000 0.487 530 S N -0.672 114.872 115.700 -0.261 0.000 2.515 530 S HA 0.019 4.489 4.470 -0.000 0.000 0.231 530 S C 1.865 176.507 174.600 0.069 0.000 0.987 530 S CA 0.331 58.538 58.200 0.011 0.000 0.936 530 S CB -0.181 63.168 63.200 0.249 0.000 0.766 530 S HN 0.249 nan 8.310 nan 0.000 0.528 531 L N 0.257 121.494 121.223 0.023 0.000 2.356 531 L HA 0.186 4.526 4.340 -0.000 0.000 0.193 531 L C 2.300 179.215 176.870 0.075 0.000 1.087 531 L CA 0.810 55.678 54.840 0.047 0.000 0.817 531 L CB -0.485 41.593 42.059 0.033 0.000 1.035 531 L HN 0.183 nan 8.230 nan 0.000 0.482 532 K N 0.865 121.308 120.400 0.071 0.000 2.173 532 K HA -0.160 4.160 4.320 -0.000 0.000 0.207 532 K C 1.694 178.358 176.600 0.107 0.000 1.046 532 K CA 1.815 58.184 56.287 0.136 0.000 0.929 532 K CB -0.715 31.796 32.500 0.019 0.000 0.720 532 K HN 0.288 nan 8.250 nan 0.000 0.453 533 G N 0.023 108.845 108.800 0.037 0.000 2.432 533 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.219 533 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.219 533 G C 1.203 176.160 174.900 0.094 0.000 1.135 533 G CA 0.915 46.025 45.100 0.018 0.000 0.767 533 G HN 0.237 nan 8.290 nan 0.000 0.550 534 L N 0.078 121.375 121.223 0.122 0.000 2.115 534 L HA 0.294 4.634 4.340 -0.000 0.000 0.200 534 L C 2.606 179.570 176.870 0.157 0.000 1.094 534 L CA 0.634 55.549 54.840 0.125 0.000 0.769 534 L CB -0.892 41.201 42.059 0.055 0.000 0.931 534 L HN 0.033 nan 8.230 nan 0.000 0.455 535 L N 0.017 121.329 121.223 0.149 0.000 2.551 535 L HA -0.121 4.219 4.340 -0.000 0.000 0.230 535 L C 1.783 178.899 176.870 0.411 0.000 1.163 535 L CA 1.412 56.350 54.840 0.164 0.000 0.826 535 L CB -1.486 40.524 42.059 -0.083 0.000 0.943 535 L HN 0.469 nan 8.230 nan 0.000 0.452 536 G N -0.986 108.082 108.800 0.447 0.000 3.189 536 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.225 536 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.225 536 G C 0.746 175.857 174.900 0.352 0.000 1.159 536 G CA -0.324 45.042 45.100 0.444 0.000 0.763 536 G HN 0.257 nan 8.290 nan 0.000 0.549 537 N N 1.227 120.117 118.700 0.317 0.000 2.479 537 N HA 0.079 4.819 4.740 -0.000 0.000 0.257 537 N C -0.986 174.653 175.510 0.215 0.000 1.232 537 N CA -1.307 51.880 53.050 0.229 0.000 0.920 537 N CB 2.240 40.859 38.487 0.220 0.000 1.105 537 N HN -0.089 nan 8.380 nan 0.000 0.444 538 P HA -0.143 nan 4.420 nan 0.000 0.218 538 P C 1.524 178.652 177.300 -0.287 0.000 1.149 538 P CA 1.262 64.234 63.100 -0.213 0.000 0.817 538 P CB -0.121 31.393 31.700 -0.311 0.000 0.785 539 I N -2.950 117.692 120.570 0.121 0.000 2.700 539 I HA -0.108 4.062 4.170 -0.000 0.000 0.261 539 I C 1.632 177.974 176.117 0.375 0.000 1.219 539 I CA 1.277 62.813 61.300 0.394 0.000 1.463 539 I CB -1.189 37.170 38.000 0.598 0.000 1.092 539 I HN -0.158 nan 8.210 nan 0.000 0.452 540 C N 1.529 120.928 119.300 0.165 0.000 2.626 540 C HA 0.178 4.638 4.460 -0.000 0.000 0.266 540 C C 1.801 176.671 174.990 -0.200 0.000 1.317 540 C CA 0.245 59.295 59.018 0.052 0.000 1.716 540 C CB -1.822 26.058 27.740 0.233 0.000 1.819 540 C HN 0.719 nan 8.230 nan 0.000 0.578 541 S N 1.717 117.045 115.700 -0.620 0.000 2.585 541 S HA 0.195 4.665 4.470 -0.000 0.000 0.273 541 S C -1.730 172.706 174.600 -0.275 0.000 1.339 541 S CA -0.584 57.001 58.200 -1.024 0.000 1.028 541 S CB 0.766 63.405 63.200 -0.935 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 1.372 178.578 177.300 -0.156 0.000 1.148 542 P CA 1.089 63.796 63.100 -0.655 0.000 0.822 542 P CB 0.064 31.210 31.700 -0.922 0.000 0.784 543 E N -1.390 118.755 120.200 -0.091 0.000 2.110 543 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 543 E C 1.189 177.957 176.600 0.280 0.000 0.988 543 E CA 1.599 58.052 56.400 0.088 0.000 0.804 543 E CB -0.619 29.160 29.700 0.133 0.000 0.745 543 E HN 0.267 nan 8.360 nan 0.000 0.458 544 Y N -1.738 118.556 120.300 -0.010 0.000 2.507 544 Y HA 0.170 4.720 4.550 0.000 0.000 0.263 544 Y C 0.498 176.479 175.900 0.135 0.000 1.093 544 Y CA -0.553 57.556 58.100 0.016 0.000 1.285 544 Y CB -0.351 38.131 38.460 0.037 0.000 1.115 544 Y HN 0.135 nan 8.280 nan 0.000 0.533 545 W N 4.043 125.472 121.300 0.215 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 0.135 0.000 0.786 545 W CA 0.325 57.852 57.345 0.304 0.000 1.816 545 W CB -0.514 29.231 29.460 0.476 0.000 1.798 545 W HN -0.062 nan 8.180 nan 0.000 0.252 546 K N 1.747 122.010 120.400 -0.228 0.000 2.502 546 K HA 0.358 4.678 4.320 -0.000 0.000 0.257 546 K C 0.561 176.697 176.600 -0.773 0.000 0.938 546 K CA -0.410 55.632 56.287 -0.408 0.000 0.819 546 K CB 1.910 34.289 32.500 -0.201 0.000 1.333 546 K HN 0.084 nan 8.250 nan 0.000 0.434 547 A N 0.923 123.258 122.820 -0.808 0.000 2.024 547 A HA -0.177 4.143 4.320 -0.000 0.000 0.220 547 A C 1.897 179.323 177.584 -0.263 0.000 1.164 547 A CA 2.334 53.974 52.037 -0.660 0.000 0.643 547 A CB -0.667 18.193 19.000 -0.232 0.000 0.806 547 A HN 0.763 nan 8.150 nan 0.000 0.451 548 S N -1.183 114.386 115.700 -0.218 0.000 2.423 548 S HA -0.116 4.354 4.470 -0.000 0.000 0.231 548 S C 1.710 176.192 174.600 -0.196 0.000 1.014 548 S CA 1.674 59.799 58.200 -0.126 0.000 0.965 548 S CB -1.028 62.112 63.200 -0.100 0.000 0.785 548 S HN 0.466 nan 8.310 nan 0.000 0.495 549 T N 1.379 115.713 114.554 -0.368 0.000 2.881 549 T HA 0.076 4.426 4.350 -0.000 0.000 0.270 549 T C 0.481 174.788 174.700 -0.656 0.000 1.068 549 T CA 1.101 62.852 62.100 -0.581 0.000 1.131 549 T CB -0.437 67.944 68.868 -0.811 0.000 0.871 549 T HN 0.556 nan 8.240 nan 0.000 0.479 550 F N 0.335 120.231 119.950 -0.090 0.000 2.639 550 F HA 0.461 4.988 4.527 -0.000 0.000 0.300 550 F C 1.706 177.573 175.800 0.111 0.000 1.109 550 F CA -0.523 57.495 58.000 0.029 0.000 1.335 550 F CB -0.168 38.872 39.000 0.068 0.000 1.014 550 F HN 0.206 nan 8.300 nan 0.000 0.537 551 G N 0.026 108.955 108.800 0.214 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 0.343 0.000 0.981 551 G CA 0.030 45.333 45.100 0.338 0.000 0.665 551 G HN 1.187 nan 8.290 nan 0.000 0.528 552 G N -1.343 107.591 108.800 0.224 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 0.174 0.000 1.280 552 G CA 0.515 45.721 45.100 0.176 0.000 0.992 552 G HN 0.994 nan 8.290 nan 0.000 0.512 553 E N -0.658 119.626 120.200 0.140 0.000 2.130 553 E HA -0.177 4.173 4.350 -0.000 0.000 0.196 553 E C 2.807 179.493 176.600 0.144 0.000 0.998 553 E CA 3.136 59.632 56.400 0.160 0.000 0.806 553 E CB -0.266 29.493 29.700 0.097 0.000 0.738 553 E HN 1.427 nan 8.360 nan 0.000 0.459 554 V N -1.765 118.212 119.914 0.105 0.000 2.233 554 V HA -0.155 3.965 4.120 -0.000 0.000 0.247 554 V C 2.220 178.379 176.094 0.107 0.000 1.050 554 V CA 2.331 64.678 62.300 0.077 0.000 1.010 554 V CB -1.557 30.292 31.823 0.044 0.000 0.637 554 V HN 0.252 nan 8.190 nan 0.000 0.444 555 G N -1.131 107.772 108.800 0.172 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 1.484 176.475 174.900 0.152 0.000 1.158 555 G CA 1.079 46.302 45.100 0.204 0.000 0.771 555 G HN 0.475 nan 8.290 nan 0.000 0.545 556 F N 2.417 122.349 119.950 -0.031 0.000 2.126 556 F HA -0.090 4.437 4.527 -0.000 0.000 0.299 556 F C 2.392 178.048 175.800 -0.240 0.000 1.096 556 F CA 1.261 59.115 58.000 -0.242 0.000 1.255 556 F CB -0.360 38.558 39.000 -0.138 0.000 0.997 556 F HN 0.101 nan 8.300 nan 0.000 0.479 557 N N 0.385 119.047 118.700 -0.063 0.000 2.216 557 N HA -0.123 4.617 4.740 -0.000 0.000 0.183 557 N C 2.210 177.660 175.510 -0.101 0.000 1.017 557 N CA 0.938 53.901 53.050 -0.145 0.000 0.861 557 N CB -0.572 37.874 38.487 -0.069 0.000 0.986 557 N HN 0.321 nan 8.380 nan 0.000 0.428 558 L N 0.650 121.849 121.223 -0.039 0.000 1.997 558 L HA -0.209 4.131 4.340 -0.000 0.000 0.216 558 L C 2.304 179.168 176.870 -0.009 0.000 1.074 558 L CA 1.180 56.020 54.840 -0.000 0.000 0.763 558 L CB -0.614 41.470 42.059 0.042 0.000 0.890 558 L HN -0.025 nan 8.230 nan 0.000 0.434 559 V N -0.233 119.628 119.914 -0.087 0.000 2.237 559 V HA -0.321 3.799 4.120 -0.000 0.000 0.245 559 V C 2.396 178.484 176.094 -0.010 0.000 1.046 559 V CA 1.986 64.252 62.300 -0.055 0.000 1.007 559 V CB -0.482 31.178 31.823 -0.271 0.000 0.638 559 V HN 0.385 nan 8.190 nan 0.000 0.445 560 K N 0.173 120.455 120.400 -0.196 0.000 2.286 560 K HA -0.157 4.163 4.320 -0.000 0.000 0.203 560 K C 1.565 178.136 176.600 -0.047 0.000 1.045 560 K CA 1.836 58.021 56.287 -0.170 0.000 0.935 560 K CB -0.258 32.012 32.500 -0.384 0.000 0.737 560 K HN 0.752 nan 8.250 nan 0.000 0.460 561 T N -3.247 111.292 114.554 -0.025 0.000 3.145 561 T HA 0.444 4.794 4.350 -0.000 0.000 0.281 561 T C 0.343 175.066 174.700 0.037 0.000 1.003 561 T CA -0.363 61.740 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 1.141 124.007 122.820 0.075 0.000 2.583 562 A HA 0.491 4.811 4.320 -0.000 0.000 0.231 562 A C 0.424 178.055 177.584 0.078 0.000 1.065 562 A CA 0.360 52.455 52.037 0.097 0.000 0.760 562 A CB -0.176 18.927 19.000 0.172 0.000 1.001 562 A HN 0.455 nan 8.150 nan 0.000 0.509 563 T N 1.473 116.056 114.554 0.048 0.000 3.047 563 T HA 0.296 4.646 4.350 -0.000 0.000 0.340 563 T C 1.016 175.697 174.700 -0.032 0.000 1.421 563 T CA -0.510 61.596 62.100 0.010 0.000 1.090 563 T CB 0.863 69.724 68.868 -0.012 0.000 1.292 563 T HN 0.620 nan 8.240 nan 0.000 0.480 564 L N 2.704 123.879 121.223 -0.080 0.000 1.990 564 L HA -0.138 4.202 4.340 -0.000 0.000 0.213 564 L C 2.576 179.356 176.870 -0.150 0.000 1.072 564 L CA 1.957 56.711 54.840 -0.145 0.000 0.755 564 L CB -0.222 41.607 42.059 -0.382 0.000 0.889 564 L HN 0.717 nan 8.230 nan 0.000 0.432 565 K N -0.038 120.269 120.400 -0.155 0.000 2.032 565 K HA -0.243 4.077 4.320 -0.000 0.000 0.209 565 K C 2.131 178.664 176.600 -0.111 0.000 1.048 565 K CA 1.679 57.882 56.287 -0.139 0.000 0.927 565 K CB 0.019 32.444 32.500 -0.125 0.000 0.712 565 K HN 0.258 nan 8.250 nan 0.000 0.441 566 K N 0.398 120.746 120.400 -0.088 0.000 2.057 566 K HA -0.164 4.156 4.320 -0.000 0.000 0.207 566 K C 2.081 178.621 176.600 -0.100 0.000 1.049 566 K CA 1.187 57.428 56.287 -0.075 0.000 0.931 566 K CB -0.213 32.259 32.500 -0.048 0.000 0.714 566 K HN 0.090 nan 8.250 nan 0.000 0.440 567 L N 0.904 122.052 121.223 -0.124 0.000 2.012 567 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 567 L C 1.943 178.680 176.870 -0.222 0.000 1.073 567 L CA 1.663 56.379 54.840 -0.207 0.000 0.748 567 L CB -0.373 41.523 42.059 -0.273 0.000 0.891 567 L HN -0.084 nan 8.230 nan 0.000 0.431 568 V N -1.350 118.453 119.914 -0.184 0.000 2.273 568 V HA -0.260 3.860 4.120 -0.000 0.000 0.242 568 V C 2.575 178.581 176.094 -0.145 0.000 1.035 568 V CA 1.696 63.888 62.300 -0.180 0.000 1.013 568 V CB -0.620 31.104 31.823 -0.165 0.000 0.652 568 V HN 0.607 nan 8.190 nan 0.000 0.452 569 c N -0.092 118.435 118.600 -0.122 0.000 2.411 569 c HA -0.101 4.469 4.570 -0.000 0.000 0.279 569 c C 2.421 176.458 174.090 -0.088 0.000 1.288 569 c CA 0.387 56.658 56.329 -0.097 0.000 1.764 569 c CB -1.180 41.280 42.510 -0.084 0.000 1.974 569 c HN 0.461 nan 8.230 nan 0.000 0.498 570 L N 1.354 122.524 121.223 -0.089 0.000 2.622 570 L HA 0.059 4.399 4.340 -0.000 0.000 0.233 570 L C 1.316 178.134 176.870 -0.087 0.000 1.156 570 L CA 1.483 56.277 54.840 -0.076 0.000 0.866 570 L CB -0.732 41.287 42.059 -0.066 0.000 0.980 570 L HN 0.433 nan 8.230 nan 0.000 0.448 571 N N -1.140 117.496 118.700 -0.108 0.000 2.241 571 N HA 0.160 4.900 4.740 -0.000 0.000 0.238 571 N C -0.260 175.174 175.510 -0.126 0.000 1.244 571 N CA 0.249 53.227 53.050 -0.121 0.000 0.880 571 N CB 1.099 39.500 38.487 -0.142 0.000 1.179 571 N HN 0.235 nan 8.380 nan 0.000 0.513 572 T N -2.419 112.071 114.554 -0.107 0.000 2.933 572 T HA 0.356 4.706 4.350 -0.000 0.000 0.305 572 T C 0.980 175.635 174.700 -0.075 0.000 1.092 572 T CA -0.741 61.300 62.100 -0.098 0.000 1.008 572 T CB 2.626 71.436 68.868 -0.097 0.000 1.102 572 T HN -0.317 nan 8.240 nan 0.000 0.469 573 K N 1.293 121.653 120.400 -0.066 0.000 2.113 573 K HA -0.025 4.295 4.320 -0.000 0.000 0.208 573 K C 1.358 177.934 176.600 -0.040 0.000 1.047 573 K CA 1.705 57.963 56.287 -0.049 0.000 0.928 573 K CB -0.530 31.946 32.500 -0.040 0.000 0.716 573 K HN 0.950 nan 8.250 nan 0.000 0.446 574 T N -3.499 111.031 114.554 -0.040 0.000 2.901 574 T HA 0.350 4.700 4.350 -0.000 0.000 0.293 574 T C -0.648 174.028 174.700 -0.040 0.000 1.084 574 T CA -1.062 61.019 62.100 -0.032 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 4.648 123.227 118.600 -0.035 0.000 2.294 575 c HA 0.684 5.254 4.570 -0.000 0.000 0.319 575 c C -1.920 172.154 174.090 -0.027 0.000 1.164 575 c CA -1.445 54.858 56.329 -0.043 0.000 1.497 575 c CB -0.522 41.960 42.510 -0.047 0.000 2.061 575 c HN 0.879 nan 8.230 nan 0.000 0.438 576 P HA 0.128 nan 4.420 nan 0.000 0.279 576 P C -1.036 176.276 177.300 0.020 0.000 1.282 576 P CA -0.343 62.763 63.100 0.010 0.000 0.788 576 P CB 0.474 32.172 31.700 -0.003 0.000 1.139 577 Y N 0.621 120.907 120.300 -0.023 0.000 2.569 577 Y HA 0.281 4.831 4.550 -0.000 0.000 0.332 577 Y C -0.493 175.400 175.900 -0.012 0.000 1.120 577 Y CA -0.009 58.082 58.100 -0.014 0.000 1.416 577 Y CB -0.011 38.449 38.460 -0.001 0.000 1.210 577 Y HN 0.131 nan 8.280 nan 0.000 0.528 578 V N 7.185 126.714 119.914 -0.641 0.000 2.488 578 V HA 0.705 4.825 4.120 -0.000 0.000 0.293 578 V C -1.199 174.542 176.094 -0.589 0.000 1.027 578 V CA 0.222 62.240 62.300 -0.469 0.000 0.862 578 V CB 1.331 33.002 31.823 -0.252 0.000 1.008 578 V HN 0.907 nan 8.190 nan 0.000 0.428 579 S N 4.677 120.091 115.700 -0.478 0.000 2.611 579 S HA 0.606 5.076 4.470 -0.000 0.000 0.268 579 S C -0.566 174.039 174.600 0.007 0.000 1.156 579 S CA -0.341 57.669 58.200 -0.316 0.000 0.817 579 S CB 1.599 64.609 63.200 -0.316 0.000 1.122 579 S HN 0.537 nan 8.310 nan 0.000 0.466 580 F N 1.683 121.683 119.950 0.084 0.000 2.776 580 F HA 0.387 4.914 4.527 -0.000 0.000 0.300 580 F C 1.058 176.904 175.800 0.075 0.000 1.116 580 F CA 0.164 58.240 58.000 0.127 0.000 1.375 580 F CB -0.075 38.997 39.000 0.120 0.000 1.109 580 F HN 0.548 nan 8.300 nan 0.000 0.585 581 H N -0.156 119.035 119.070 0.200 0.000 2.469 581 H HA 0.363 4.919 4.556 -0.000 0.000 0.342 581 H C -0.345 175.116 175.328 0.223 0.000 1.115 581 H CA -0.674 55.455 56.048 0.136 0.000 1.204 581 H CB 2.094 31.924 29.762 0.113 0.000 1.492 581 H HN -0.191 nan 8.280 nan 0.000 0.499 582 V N 7.235 127.485 119.914 0.560 0.000 2.843 582 V HA 0.119 4.239 4.120 -0.000 0.000 0.305 582 V C -1.642 174.643 176.094 0.318 0.000 1.065 582 V CA -1.102 61.427 62.300 0.381 0.000 1.116 582 V CB 1.013 32.963 31.823 0.212 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 62.960 63.100 -0.234 0.000 0.800 583 P CB 0.000 31.301 31.700 -0.665 0.000 0.726