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 2oye_1_P DATA FIRST_RESID 32 DATA SEQUENCE PVNPccYYPc QHQGIcVRFG LDRYQcDcTR TGYSGPNcTI PEIWTWLRTT DATA SEQUENCE LRPSPSFIHF LLTHGRWLWD FVNATFIRDT LMRLVLTVRS NLIPSPPTYN DATA SEQUENCE IAHDYISWES FSNVSYYTRI LPSVPRDcPT PMGTKGKKQL PDAEFLSRRF DATA SEQUENCE LLRRKFIPDP QGTNLMFAFF AQHFTHQFFK TSGKMGPGFT KALGHGVDLG DATA SEQUENCE HIYGDNLERQ YQLRLFKDGK LKYQMLNGEV YPPSVEEAPV LMHYPRGIPP DATA SEQUENCE QSQMAVGQEV FGLLPGLMLY ATIWLREHNR VCDLLKAEHP TWGDEQLFQT DATA SEQUENCE ARLILIGETI KIVIEEYVQQ LSGYFLQLKF DPELLFGAQF QYRNRIAMEF DATA SEQUENCE NQLYHWHPLM PDSFRVGPQD YSYEQFLFNT SMLVDYGVEA LVDAFSRQPA DATA SEQUENCE GRIGGGRNID HHILHVAVDV IKESRVLRLQ PFNEYRKRFG MKPYTSFQEL DATA SEQUENCE TGEKEMAAEL EELYGDIDAL EFYPGLLLEK CHPNSIFGES MIEMGAPFSL DATA SEQUENCE KGLLGNPICS PEYWKASTFG GEVGFNLVKT ATLKKLVcLN TKTcPYVSFH DATA SEQUENCE VPD 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 32 P HA 0.000 nan 4.420 nan 0.000 0.216 32 P C 0.000 177.333 177.300 0.055 0.000 1.155 32 P CA 0.000 63.128 63.100 0.047 0.000 0.800 32 P CB 0.000 31.728 31.700 0.046 0.000 0.726 33 V N 0.032 119.987 119.914 0.069 0.000 2.703 33 V HA -0.029 4.091 4.120 -0.000 0.000 0.300 33 V C 0.832 176.978 176.094 0.086 0.000 1.063 33 V CA -0.294 62.051 62.300 0.075 0.000 1.240 33 V CB 0.206 32.116 31.823 0.144 0.000 0.845 33 V HN 0.703 nan 8.190 nan 0.000 0.476 34 N N 8.786 127.503 118.700 0.029 0.000 2.347 34 N HA 0.017 4.757 4.740 -0.000 0.000 0.278 34 N C -0.615 174.919 175.510 0.040 0.000 1.367 34 N CA -1.003 52.058 53.050 0.018 0.000 0.898 34 N CB 0.934 39.404 38.487 -0.030 0.000 1.203 34 N HN 0.614 nan 8.380 nan 0.000 0.491 35 P HA -0.151 nan 4.420 nan 0.000 0.218 35 P C 0.750 178.002 177.300 -0.080 0.000 1.146 35 P CA 1.051 64.190 63.100 0.065 0.000 0.820 35 P CB -0.052 31.685 31.700 0.062 0.000 0.778 36 c N -1.096 117.421 118.600 -0.139 0.000 2.526 36 c HA 0.065 4.635 4.570 -0.000 0.000 0.286 36 c C 2.617 176.514 174.090 -0.322 0.000 1.416 36 c CA -0.062 56.143 56.329 -0.207 0.000 1.671 36 c CB -2.597 39.846 42.510 -0.112 0.000 1.650 36 c HN 0.364 nan 8.230 nan 0.000 0.590 37 c N -0.836 117.558 118.600 -0.344 0.000 2.563 37 c HA 0.032 4.602 4.570 -0.000 0.000 0.268 37 c C 2.051 175.541 174.090 -1.000 0.000 1.365 37 c CA 0.439 56.370 56.329 -0.663 0.000 1.754 37 c CB -1.240 40.939 42.510 -0.552 0.000 1.932 37 c HN 0.712 nan 8.230 nan 0.000 0.536 38 Y N -1.751 118.234 120.300 -0.526 0.000 2.490 38 Y HA 0.150 4.700 4.550 -0.000 0.000 0.285 38 Y C 0.514 176.286 175.900 -0.214 0.000 1.117 38 Y CA 0.123 58.021 58.100 -0.337 0.000 1.262 38 Y CB -0.487 37.865 38.460 -0.180 0.000 1.043 38 Y HN 0.224 nan 8.280 nan 0.000 0.553 39 Y N -1.236 119.062 120.300 -0.003 0.000 3.128 39 Y HA -0.162 4.388 4.550 -0.000 0.000 0.187 39 Y C -1.678 174.197 175.900 -0.043 0.000 1.597 39 Y CA -0.674 57.396 58.100 -0.050 0.000 1.183 39 Y CB -2.172 36.255 38.460 -0.055 0.000 1.454 39 Y HN 0.177 nan 8.280 nan 0.000 0.460 40 P HA -0.042 nan 4.420 nan 0.000 0.220 40 P C 0.413 177.751 177.300 0.065 0.000 1.152 40 P CA 1.022 64.130 63.100 0.013 0.000 0.812 40 P CB 0.251 31.857 31.700 -0.157 0.000 0.792 41 c N 2.467 121.105 118.600 0.063 0.000 2.585 41 c HA 0.339 4.909 4.570 -0.000 0.000 0.406 41 c C 0.751 174.822 174.090 -0.031 0.000 1.312 41 c CA -0.564 55.802 56.329 0.061 0.000 1.924 41 c CB -0.246 42.320 42.510 0.094 0.000 2.578 41 c HN 0.291 nan 8.230 nan 0.000 0.580 42 Q N 1.121 120.854 119.800 -0.111 0.000 2.240 42 Q HA 0.306 4.646 4.340 -0.000 0.000 0.260 42 Q C 0.468 176.269 176.000 -0.332 0.000 1.018 42 Q CA -0.527 55.073 55.803 -0.338 0.000 0.898 42 Q CB 0.444 28.845 28.738 -0.562 0.000 1.301 42 Q HN 0.858 nan 8.270 nan 0.000 0.469 43 H N 0.668 119.608 119.070 -0.218 0.000 2.781 43 H HA -0.217 4.339 4.556 -0.000 0.000 0.301 43 H C -0.348 174.913 175.328 -0.112 0.000 1.124 43 H CA 1.278 57.185 56.048 -0.236 0.000 1.154 43 H CB -1.291 28.157 29.762 -0.522 0.000 1.355 43 H HN 0.749 nan 8.280 nan 0.000 0.385 44 Q N -3.433 116.355 119.800 -0.019 0.000 2.480 44 Q HA -0.109 4.231 4.340 -0.000 0.000 0.259 44 Q C 0.794 176.819 176.000 0.042 0.000 0.810 44 Q CA 0.764 56.570 55.803 0.005 0.000 1.175 44 Q CB -1.412 27.326 28.738 -0.000 0.000 1.300 44 Q HN 0.703 nan 8.270 nan 0.000 0.675 45 G N 0.426 109.253 108.800 0.045 0.000 2.432 45 G HA2 0.485 4.445 3.960 -0.000 0.000 0.257 45 G HA3 0.485 4.445 3.960 -0.000 0.000 0.257 45 G C -0.209 174.750 174.900 0.098 0.000 1.238 45 G CA -0.480 44.668 45.100 0.080 0.000 0.838 45 G HN 0.070 nan 8.290 nan 0.000 0.547 46 I N 1.440 122.085 120.570 0.125 0.000 2.352 46 I HA 0.142 4.312 4.170 -0.000 0.000 0.290 46 I C 0.735 176.955 176.117 0.171 0.000 1.036 46 I CA -0.811 60.580 61.300 0.152 0.000 1.336 46 I CB 1.002 39.103 38.000 0.169 0.000 1.407 46 I HN 0.389 nan 8.210 nan 0.000 0.497 47 c N 7.292 125.984 118.600 0.154 0.000 2.514 47 c HA 0.648 5.218 4.570 -0.000 0.000 0.392 47 c C 0.023 174.223 174.090 0.183 0.000 1.294 47 c CA -0.140 56.295 56.329 0.178 0.000 1.957 47 c CB -0.491 42.065 42.510 0.076 0.000 2.541 47 c HN 0.556 nan 8.230 nan 0.000 0.569 48 V N 7.867 127.942 119.914 0.268 0.000 2.610 48 V HA 0.403 4.523 4.120 -0.000 0.000 0.298 48 V C -0.179 176.064 176.094 0.249 0.000 1.067 48 V CA -0.562 61.859 62.300 0.203 0.000 0.894 48 V CB 1.680 33.629 31.823 0.211 0.000 1.015 48 V HN 0.912 nan 8.190 nan 0.000 0.432 49 R N 3.647 124.205 120.500 0.097 0.000 2.537 49 R HA 0.506 4.846 4.340 -0.000 0.000 0.280 49 R C -1.201 175.046 176.300 -0.088 0.000 1.058 49 R CA 0.330 56.497 56.100 0.112 0.000 1.057 49 R CB 0.530 30.861 30.300 0.052 0.000 0.973 49 R HN 0.504 nan 8.270 nan 0.000 0.438 50 F N 0.754 120.752 119.950 0.080 0.000 2.556 50 F HA 0.437 4.964 4.527 -0.000 0.000 0.314 50 F C 1.078 176.902 175.800 0.039 0.000 1.106 50 F CA 0.362 58.389 58.000 0.045 0.000 0.911 50 F CB 2.218 41.233 39.000 0.026 0.000 1.190 50 F HN 0.805 nan 8.300 nan 0.000 0.448 51 G N 2.530 111.423 108.800 0.155 0.000 2.527 51 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.268 51 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.268 51 G C 0.371 175.314 174.900 0.072 0.000 1.175 51 G CA 0.314 45.477 45.100 0.106 0.000 0.962 51 G HN 0.646 nan 8.290 nan 0.000 0.560 52 L N 0.544 121.809 121.223 0.070 0.000 2.467 52 L HA 0.302 4.642 4.340 -0.000 0.000 0.213 52 L C 1.805 178.718 176.870 0.071 0.000 1.053 52 L CA 1.241 56.115 54.840 0.057 0.000 0.847 52 L CB 0.015 42.101 42.059 0.045 0.000 1.075 52 L HN 0.665 nan 8.230 nan 0.000 0.479 53 D N -1.038 119.412 120.400 0.083 0.000 2.513 53 D HA 0.112 4.752 4.640 -0.000 0.000 0.222 53 D C 0.593 176.973 176.300 0.132 0.000 1.210 53 D CA -0.240 53.818 54.000 0.095 0.000 0.825 53 D CB 0.361 41.204 40.800 0.071 0.000 1.037 53 D HN 0.106 nan 8.370 nan 0.000 0.506 54 R N -0.160 120.433 120.500 0.155 0.000 2.810 54 R HA 0.696 5.036 4.340 -0.000 0.000 0.245 54 R C -0.845 175.644 176.300 0.315 0.000 1.168 54 R CA -0.950 55.257 56.100 0.178 0.000 1.096 54 R CB 1.093 31.459 30.300 0.110 0.000 1.259 54 R HN 0.160 nan 8.270 nan 0.000 0.518 55 Y N -2.330 118.059 120.300 0.147 0.000 2.677 55 Y HA 0.436 4.986 4.550 -0.000 0.000 0.334 55 Y C -2.016 173.976 175.900 0.154 0.000 1.196 55 Y CA -1.135 57.089 58.100 0.208 0.000 1.059 55 Y CB 1.532 40.070 38.460 0.131 0.000 1.315 55 Y HN 0.483 nan 8.280 nan 0.000 0.455 56 Q N 1.266 121.212 119.800 0.243 0.000 2.377 56 Q HA 0.655 4.995 4.340 -0.000 0.000 0.279 56 Q C -1.772 174.373 176.000 0.243 0.000 1.049 56 Q CA -0.919 54.900 55.803 0.027 0.000 0.825 56 Q CB 3.044 31.710 28.738 -0.120 0.000 1.401 56 Q HN 0.857 nan 8.270 nan 0.000 0.404 57 c N 0.992 119.688 118.600 0.159 0.000 2.341 57 c HA 0.372 4.942 4.570 -0.000 0.000 0.338 57 c C -0.120 174.048 174.090 0.131 0.000 1.257 57 c CA -0.390 56.051 56.329 0.187 0.000 1.883 57 c CB 0.588 43.206 42.510 0.179 0.000 2.334 57 c HN 0.740 nan 8.230 nan 0.000 0.524 58 D N 1.246 121.729 120.400 0.139 0.000 2.456 58 D HA 0.288 4.928 4.640 -0.000 0.000 0.219 58 D C 0.229 176.591 176.300 0.105 0.000 1.126 58 D CA -0.229 53.839 54.000 0.114 0.000 0.890 58 D CB 0.298 41.172 40.800 0.123 0.000 1.025 58 D HN 0.631 nan 8.370 nan 0.000 0.511 59 c N 2.836 121.496 118.600 0.099 0.000 2.559 59 c HA 0.160 4.730 4.570 -0.000 0.000 0.300 59 c C 0.828 174.981 174.090 0.105 0.000 1.288 59 c CA -0.393 56.004 56.329 0.114 0.000 1.699 59 c CB -1.776 40.814 42.510 0.133 0.000 1.819 59 c HN 0.502 nan 8.230 nan 0.000 0.600 60 T N 1.777 116.382 114.554 0.083 0.000 2.933 60 T HA 0.020 4.370 4.350 -0.000 0.000 0.306 60 T C 0.948 175.691 174.700 0.071 0.000 1.045 60 T CA 0.394 62.535 62.100 0.069 0.000 1.143 60 T CB 0.074 68.975 68.868 0.056 0.000 1.003 60 T HN 0.608 nan 8.240 nan 0.000 0.540 61 R N 0.271 120.810 120.500 0.066 0.000 3.591 61 R HA -0.212 4.128 4.340 -0.000 0.000 0.268 61 R C 1.320 177.671 176.300 0.085 0.000 1.102 61 R CA 1.047 57.185 56.100 0.064 0.000 0.732 61 R CB -2.433 27.891 30.300 0.040 0.000 1.117 61 R HN 0.917 nan 8.270 nan 0.000 0.472 62 T N -4.595 110.035 114.554 0.127 0.000 3.060 62 T HA 0.284 4.634 4.350 -0.000 0.000 0.249 62 T C 1.448 176.317 174.700 0.281 0.000 1.079 62 T CA 0.527 62.736 62.100 0.181 0.000 1.013 62 T CB 0.991 69.978 68.868 0.197 0.000 0.975 62 T HN 0.630 nan 8.240 nan 0.000 0.518 63 G N 0.504 109.421 108.800 0.194 0.000 2.162 63 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.260 63 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.260 63 G C -0.239 174.652 174.900 -0.016 0.000 0.976 63 G CA 0.344 45.505 45.100 0.102 0.000 0.655 63 G HN 0.624 nan 8.290 nan 0.000 0.533 64 Y N 0.032 120.362 120.300 0.051 0.000 2.581 64 Y HA 0.714 5.264 4.550 -0.000 0.000 0.345 64 Y C 0.500 176.443 175.900 0.072 0.000 1.036 64 Y CA -0.510 57.631 58.100 0.069 0.000 1.042 64 Y CB 2.174 40.709 38.460 0.125 0.000 1.289 64 Y HN 0.582 nan 8.280 nan 0.000 0.471 65 S N -0.167 115.664 115.700 0.218 0.000 2.732 65 S HA 0.972 5.442 4.470 -0.000 0.000 0.293 65 S C -0.196 174.481 174.600 0.129 0.000 1.159 65 S CA -0.363 57.919 58.200 0.136 0.000 0.847 65 S CB 1.796 65.039 63.200 0.072 0.000 1.169 65 S HN 1.862 nan 8.310 nan 0.000 0.501 66 G N 0.629 109.477 108.800 0.080 0.000 2.592 66 G HA2 0.057 4.017 3.960 -0.000 0.000 0.684 66 G HA3 0.057 4.017 3.960 -0.000 0.000 0.684 66 G C -2.328 172.602 174.900 0.050 0.000 1.291 66 G CA -0.249 44.887 45.100 0.060 0.000 0.891 66 G HN 0.671 nan 8.290 nan 0.000 0.544 67 P HA -0.097 nan 4.420 nan 0.000 0.217 67 P C 1.166 178.498 177.300 0.055 0.000 1.162 67 P CA 2.109 65.210 63.100 0.001 0.000 0.901 67 P CB -0.016 31.676 31.700 -0.012 0.000 0.793 68 N N -3.235 115.519 118.700 0.089 0.000 2.200 68 N HA 0.117 4.857 4.740 -0.000 0.000 0.224 68 N C -0.689 174.873 175.510 0.086 0.000 1.179 68 N CA -0.045 53.075 53.050 0.118 0.000 0.877 68 N CB -0.489 38.071 38.487 0.122 0.000 1.072 68 N HN 0.059 nan 8.380 nan 0.000 0.519 69 c N 0.515 119.184 118.600 0.116 0.000 4.236 69 c HA -0.085 4.485 4.570 -0.000 0.000 0.311 69 c C 1.302 175.507 174.090 0.191 0.000 1.225 69 c CA 0.641 57.073 56.329 0.172 0.000 2.165 69 c CB -3.052 39.534 42.510 0.127 0.000 1.316 69 c HN 0.612 nan 8.230 nan 0.000 0.670 70 T N -3.961 110.747 114.554 0.257 0.000 3.016 70 T HA 0.370 4.720 4.350 -0.000 0.000 0.271 70 T C 0.207 175.157 174.700 0.417 0.000 0.968 70 T CA -0.003 62.280 62.100 0.304 0.000 0.891 70 T CB 0.322 69.280 68.868 0.150 0.000 1.149 70 T HN 0.646 nan 8.240 nan 0.000 0.524 71 I N 4.993 125.768 120.570 0.342 0.000 2.282 71 I HA 0.284 4.454 4.170 -0.000 0.000 0.290 71 I C -2.274 173.924 176.117 0.135 0.000 1.090 71 I CA -2.580 58.844 61.300 0.207 0.000 1.231 71 I CB 0.929 38.997 38.000 0.114 0.000 1.434 71 I HN -0.024 nan 8.210 nan 0.000 0.487 72 P HA 0.068 nan 4.420 nan 0.000 0.265 72 P C 0.069 177.228 177.300 -0.234 0.000 1.193 72 P CA 0.235 63.048 63.100 -0.478 0.000 0.765 72 P CB 0.555 32.065 31.700 -0.315 0.000 0.823 73 E N 3.516 123.554 120.200 -0.270 0.000 2.435 73 E HA 0.014 4.364 4.350 -0.000 0.000 0.254 73 E C 1.151 177.683 176.600 -0.113 0.000 1.289 73 E CA -0.447 55.876 56.400 -0.129 0.000 0.983 73 E CB -0.092 29.571 29.700 -0.062 0.000 1.010 73 E HN 0.468 nan 8.360 nan 0.000 0.509 74 I N -0.940 119.523 120.570 -0.178 0.000 2.099 74 I HA -0.216 3.954 4.170 -0.000 0.000 0.239 74 I C 2.234 178.235 176.117 -0.194 0.000 1.066 74 I CA 1.823 62.942 61.300 -0.301 0.000 1.324 74 I CB -0.983 36.677 38.000 -0.568 0.000 1.037 74 I HN 0.848 nan 8.210 nan 0.000 0.401 75 W N 0.735 122.062 121.300 0.045 0.000 2.388 75 W HA -0.164 4.496 4.660 -0.000 0.000 0.294 75 W C 2.582 179.107 176.519 0.010 0.000 1.212 75 W CA 1.323 58.696 57.345 0.047 0.000 1.271 75 W CB -1.094 28.371 29.460 0.009 0.000 1.126 75 W HN 0.067 nan 8.180 nan 0.000 0.535 76 T N -0.392 114.246 114.554 0.140 0.000 2.684 76 T HA -0.324 4.026 4.350 -0.000 0.000 0.267 76 T C 1.191 175.860 174.700 -0.051 0.000 1.036 76 T CA 1.582 63.654 62.100 -0.046 0.000 1.148 76 T CB -1.015 67.637 68.868 -0.360 0.000 0.863 76 T HN 0.384 nan 8.240 nan 0.000 0.436 77 W N 1.752 122.957 121.300 -0.158 0.000 2.318 77 W HA -0.130 4.530 4.660 -0.000 0.000 0.313 77 W C 1.814 178.305 176.519 -0.046 0.000 1.221 77 W CA 1.020 58.297 57.345 -0.112 0.000 1.266 77 W CB -0.623 28.757 29.460 -0.134 0.000 1.150 77 W HN 0.154 nan 8.180 nan 0.000 0.496 78 L N 0.576 121.834 121.223 0.058 0.000 1.976 78 L HA -0.237 4.103 4.340 -0.000 0.000 0.209 78 L C 3.131 179.895 176.870 -0.176 0.000 1.071 78 L CA 2.406 57.169 54.840 -0.128 0.000 0.746 78 L CB -1.605 40.619 42.059 0.275 0.000 0.890 78 L HN 0.087 nan 8.230 nan 0.000 0.432 79 R N -0.256 120.236 120.500 -0.013 0.000 2.133 79 R HA -0.209 4.131 4.340 -0.000 0.000 0.247 79 R C 2.064 178.302 176.300 -0.103 0.000 1.151 79 R CA 2.413 58.500 56.100 -0.023 0.000 0.971 79 R CB -2.284 28.032 30.300 0.026 0.000 0.866 79 R HN 0.482 nan 8.270 nan 0.000 0.447 80 T N -0.011 114.434 114.554 -0.182 0.000 2.812 80 T HA -0.163 4.187 4.350 -0.000 0.000 0.264 80 T C 2.340 176.879 174.700 -0.268 0.000 1.042 80 T CA 2.130 64.113 62.100 -0.195 0.000 1.140 80 T CB -0.385 68.362 68.868 -0.202 0.000 0.870 80 T HN 0.813 nan 8.240 nan 0.000 0.445 81 T N 0.895 115.165 114.554 -0.473 0.000 2.857 81 T HA 0.124 4.474 4.350 -0.000 0.000 0.266 81 T C 1.669 176.210 174.700 -0.264 0.000 1.048 81 T CA 0.567 62.401 62.100 -0.444 0.000 1.139 81 T CB -0.533 67.879 68.868 -0.760 0.000 0.874 81 T HN 0.270 nan 8.240 nan 0.000 0.455 82 L N 1.349 122.441 121.223 -0.220 0.000 2.645 82 L HA 0.347 4.687 4.340 -0.000 0.000 0.234 82 L C 1.400 178.232 176.870 -0.064 0.000 1.165 82 L CA -0.423 54.350 54.840 -0.111 0.000 0.944 82 L CB -0.642 41.379 42.059 -0.064 0.000 1.149 82 L HN 0.357 nan 8.230 nan 0.000 0.446 83 R N 1.986 122.441 120.500 -0.075 0.000 2.295 83 R HA 0.569 4.909 4.340 -0.000 0.000 0.324 83 R C -2.527 173.766 176.300 -0.011 0.000 0.968 83 R CA -1.500 54.585 56.100 -0.025 0.000 0.837 83 R CB -0.571 29.713 30.300 -0.025 0.000 1.133 83 R HN -0.029 nan 8.270 nan 0.000 0.450 84 P HA 0.240 nan 4.420 nan 0.000 0.276 84 P C -0.133 177.236 177.300 0.116 0.000 1.252 84 P CA -0.242 62.911 63.100 0.087 0.000 0.802 84 P CB 1.350 33.236 31.700 0.310 0.000 1.035 85 S N 0.736 116.507 115.700 0.118 0.000 2.585 85 S HA 0.165 4.635 4.470 -0.000 0.000 0.273 85 S C -1.642 173.062 174.600 0.175 0.000 1.339 85 S CA -0.712 57.558 58.200 0.116 0.000 1.028 85 S CB 0.198 63.450 63.200 0.087 0.000 0.906 85 S HN 0.222 nan 8.310 nan 0.000 0.528 86 P HA -0.113 nan 4.420 nan 0.000 0.215 86 P C 1.916 179.325 177.300 0.182 0.000 1.153 86 P CA 1.767 64.959 63.100 0.154 0.000 0.853 86 P CB -0.213 31.572 31.700 0.141 0.000 0.788 87 S N -1.239 114.573 115.700 0.188 0.000 2.400 87 S HA -0.228 4.242 4.470 -0.000 0.000 0.232 87 S C 1.936 176.638 174.600 0.170 0.000 1.025 87 S CA 0.934 59.233 58.200 0.164 0.000 0.993 87 S CB -1.861 61.447 63.200 0.180 0.000 0.808 87 S HN 0.149 nan 8.310 nan 0.000 0.478 88 F N 2.312 122.286 119.950 0.039 0.000 2.060 88 F HA -0.039 4.488 4.527 -0.000 0.000 0.295 88 F C 2.155 178.002 175.800 0.078 0.000 1.120 88 F CA 1.356 59.364 58.000 0.013 0.000 1.205 88 F CB -0.196 38.789 39.000 -0.025 0.000 0.986 88 F HN 0.083 nan 8.300 nan 0.000 0.470 89 I N 0.810 121.305 120.570 -0.126 0.000 2.151 89 I HA -0.363 3.807 4.170 -0.000 0.000 0.243 89 I C 2.438 178.479 176.117 -0.127 0.000 1.080 89 I CA 2.078 63.256 61.300 -0.204 0.000 1.339 89 I CB -1.916 36.077 38.000 -0.012 0.000 1.039 89 I HN 0.352 nan 8.210 nan 0.000 0.409 90 H N 0.525 119.546 119.070 -0.082 0.000 2.353 90 H HA -0.278 4.278 4.556 -0.000 0.000 0.298 90 H C 2.096 177.368 175.328 -0.092 0.000 1.103 90 H CA 2.048 58.063 56.048 -0.056 0.000 1.293 90 H CB -0.578 29.155 29.762 -0.047 0.000 1.372 90 H HN 0.281 nan 8.280 nan 0.000 0.501 91 F N -0.362 119.407 119.950 -0.302 0.000 2.186 91 F HA -0.118 4.409 4.527 -0.000 0.000 0.299 91 F C 1.766 177.342 175.800 -0.373 0.000 1.090 91 F CA 0.772 58.534 58.000 -0.395 0.000 1.307 91 F CB -0.158 38.610 39.000 -0.387 0.000 1.019 91 F HN 0.158 nan 8.300 nan 0.000 0.489 92 L N 0.141 121.243 121.223 -0.202 0.000 2.056 92 L HA -0.181 4.159 4.340 -0.000 0.000 0.207 92 L C 2.222 179.101 176.870 0.015 0.000 1.078 92 L CA 1.547 56.300 54.840 -0.145 0.000 0.749 92 L CB -1.201 40.704 42.059 -0.256 0.000 0.901 92 L HN 0.176 nan 8.230 nan 0.000 0.433 93 L N -0.904 120.204 121.223 -0.192 0.000 2.376 93 L HA -0.102 4.238 4.340 -0.000 0.000 0.219 93 L C 1.602 178.155 176.870 -0.529 0.000 1.133 93 L CA 1.291 55.840 54.840 -0.485 0.000 0.816 93 L CB -0.509 40.972 42.059 -0.964 0.000 0.933 93 L HN 0.451 nan 8.230 nan 0.000 0.449 94 T N -6.199 108.090 114.554 -0.443 0.000 3.215 94 T HA 0.160 4.510 4.350 -0.000 0.000 0.271 94 T C 0.734 174.970 174.700 -0.773 0.000 1.012 94 T CA -0.198 61.680 62.100 -0.371 0.000 0.899 94 T CB 0.048 68.701 68.868 -0.359 0.000 1.089 94 T HN 0.217 nan 8.240 nan 0.000 0.552 95 H N 0.290 118.702 119.070 -1.096 0.000 2.916 95 H HA 0.394 4.950 4.556 -0.000 0.000 0.229 95 H C 2.044 176.902 175.328 -0.783 0.000 0.917 95 H CA 0.100 55.558 56.048 -0.983 0.000 1.048 95 H CB -0.119 29.102 29.762 -0.903 0.000 1.417 95 H HN 0.388 nan 8.280 nan 0.000 0.445 96 G N 1.411 110.032 108.800 -0.298 0.000 3.211 96 G HA2 0.053 4.013 3.960 -0.000 0.000 0.235 96 G HA3 0.053 4.013 3.960 -0.000 0.000 0.235 96 G C 1.635 176.557 174.900 0.036 0.000 1.032 96 G CA 0.733 45.744 45.100 -0.148 0.000 1.819 96 G HN 0.546 nan 8.290 nan 0.000 0.590 97 R N 0.253 120.699 120.500 -0.089 0.000 2.265 97 R HA -0.262 4.078 4.340 -0.000 0.000 0.256 97 R C 1.945 178.389 176.300 0.239 0.000 1.120 97 R CA 2.455 58.654 56.100 0.166 0.000 0.956 97 R CB -1.273 28.910 30.300 -0.196 0.000 0.925 97 R HN 0.622 nan 8.270 nan 0.000 0.448 98 W N -0.571 120.802 121.300 0.122 0.000 2.501 98 W HA 0.159 4.819 4.660 -0.000 0.000 0.309 98 W C 2.142 178.709 176.519 0.080 0.000 1.165 98 W CA 0.529 57.927 57.345 0.089 0.000 1.381 98 W CB -1.430 28.047 29.460 0.028 0.000 1.142 98 W HN 0.372 nan 8.180 nan 0.000 0.509 99 L N -0.230 121.119 121.223 0.211 0.000 2.137 99 L HA -0.201 4.139 4.340 -0.000 0.000 0.213 99 L C 1.809 178.646 176.870 -0.054 0.000 1.085 99 L CA 1.981 56.810 54.840 -0.018 0.000 0.760 99 L CB -0.950 40.913 42.059 -0.327 0.000 0.893 99 L HN 0.017 nan 8.230 nan 0.000 0.434 100 W N -0.644 120.738 121.300 0.137 0.000 2.576 100 W HA -0.005 4.655 4.660 -0.000 0.000 0.270 100 W C 2.059 178.646 176.519 0.113 0.000 1.255 100 W CA 0.243 57.646 57.345 0.097 0.000 1.314 100 W CB -0.067 29.466 29.460 0.121 0.000 1.101 100 W HN 0.163 nan 8.180 nan 0.000 0.595 101 D N -0.137 120.497 120.400 0.390 0.000 2.178 101 D HA -0.182 4.458 4.640 -0.000 0.000 0.202 101 D C 1.625 178.073 176.300 0.247 0.000 0.974 101 D CA 1.074 55.242 54.000 0.280 0.000 0.841 101 D CB -0.921 40.044 40.800 0.276 0.000 0.953 101 D HN 0.180 nan 8.370 nan 0.000 0.478 102 F N 1.248 121.260 119.950 0.103 0.000 2.053 102 F HA -0.203 4.324 4.527 -0.000 0.000 0.292 102 F C 2.143 177.952 175.800 0.015 0.000 1.125 102 F CA 0.922 58.943 58.000 0.034 0.000 1.193 102 F CB -0.154 38.839 39.000 -0.012 0.000 0.996 102 F HN -0.225 nan 8.300 nan 0.000 0.470 103 V N 1.510 121.189 119.914 -0.391 0.000 2.324 103 V HA -0.371 3.749 4.120 -0.000 0.000 0.250 103 V C 2.121 178.078 176.094 -0.229 0.000 1.060 103 V CA 2.230 64.231 62.300 -0.497 0.000 1.042 103 V CB -0.985 30.713 31.823 -0.208 0.000 0.650 103 V HN 0.442 nan 8.190 nan 0.000 0.450 104 N N 0.401 119.106 118.700 0.008 0.000 2.149 104 N HA -0.122 4.618 4.740 -0.000 0.000 0.188 104 N C 1.694 177.190 175.510 -0.023 0.000 1.019 104 N CA 1.683 54.752 53.050 0.030 0.000 0.857 104 N CB -0.356 38.190 38.487 0.098 0.000 0.997 104 N HN 0.531 nan 8.380 nan 0.000 0.426 105 A N -0.042 122.760 122.820 -0.029 0.000 2.208 105 A HA 0.038 4.358 4.320 -0.000 0.000 0.209 105 A C 1.306 178.857 177.584 -0.055 0.000 1.161 105 A CA 0.868 52.902 52.037 -0.005 0.000 0.782 105 A CB -0.268 18.776 19.000 0.072 0.000 0.816 105 A HN 0.437 nan 8.150 nan 0.000 0.477 106 T N -4.400 110.029 114.554 -0.209 0.000 2.844 106 T HA 0.477 4.827 4.350 -0.000 0.000 0.274 106 T C 0.866 175.449 174.700 -0.194 0.000 0.991 106 T CA -0.008 61.963 62.100 -0.214 0.000 0.983 106 T CB 0.404 68.941 68.868 -0.551 0.000 1.310 106 T HN 0.551 nan 8.240 nan 0.000 0.596 107 F N -0.340 119.546 119.950 -0.106 0.000 2.456 107 F HA 0.269 4.796 4.527 -0.000 0.000 0.298 107 F C 1.871 177.627 175.800 -0.074 0.000 1.104 107 F CA 0.173 58.131 58.000 -0.069 0.000 1.435 107 F CB -1.081 37.890 39.000 -0.049 0.000 1.078 107 F HN 0.365 nan 8.300 nan 0.000 0.546 108 I N 1.001 120.773 120.570 -1.330 0.000 2.315 108 I HA -0.315 3.855 4.170 -0.000 0.000 0.251 108 I C 2.835 178.748 176.117 -0.341 0.000 1.125 108 I CA 1.528 62.310 61.300 -0.863 0.000 1.392 108 I CB -0.650 36.860 38.000 -0.818 0.000 1.065 108 I HN 0.224 nan 8.210 nan 0.000 0.424 109 R N 1.159 121.502 120.500 -0.261 0.000 2.096 109 R HA -0.233 4.107 4.340 -0.000 0.000 0.240 109 R C 1.808 178.075 176.300 -0.055 0.000 1.139 109 R CA 2.369 58.412 56.100 -0.095 0.000 0.952 109 R CB -0.240 30.020 30.300 -0.066 0.000 0.854 109 R HN 0.338 nan 8.270 nan 0.000 0.436 110 D N -0.491 119.880 120.400 -0.050 0.000 2.097 110 D HA -0.105 4.535 4.640 -0.000 0.000 0.197 110 D C 1.889 178.183 176.300 -0.010 0.000 0.984 110 D CA 1.983 55.974 54.000 -0.015 0.000 0.826 110 D CB -0.640 40.170 40.800 0.017 0.000 0.973 110 D HN 0.328 nan 8.370 nan 0.000 0.460 111 T N 1.503 116.055 114.554 -0.004 0.000 2.699 111 T HA -0.135 4.215 4.350 -0.000 0.000 0.268 111 T C 2.297 176.994 174.700 -0.006 0.000 1.036 111 T CA 0.816 62.923 62.100 0.012 0.000 1.147 111 T CB -0.439 68.442 68.868 0.022 0.000 0.862 111 T HN 0.125 nan 8.240 nan 0.000 0.446 112 L N -0.418 120.795 121.223 -0.018 0.000 2.027 112 L HA -0.041 4.299 4.340 -0.000 0.000 0.206 112 L C 2.692 179.569 176.870 0.012 0.000 1.074 112 L CA 1.145 55.991 54.840 0.009 0.000 0.745 112 L CB -0.547 41.538 42.059 0.042 0.000 0.898 112 L HN 0.216 nan 8.230 nan 0.000 0.433 113 M N 0.395 119.998 119.600 0.005 0.000 2.115 113 M HA -0.267 4.213 4.480 -0.000 0.000 0.258 113 M C 2.441 178.735 176.300 -0.011 0.000 1.071 113 M CA 1.933 57.237 55.300 0.007 0.000 1.100 113 M CB -0.455 32.145 32.600 -0.000 0.000 1.292 113 M HN 0.015 nan 8.290 nan 0.000 0.415 114 R N -0.375 120.108 120.500 -0.028 0.000 2.154 114 R HA -0.225 4.115 4.340 -0.000 0.000 0.248 114 R C 2.021 178.299 176.300 -0.037 0.000 1.155 114 R CA 2.061 58.133 56.100 -0.047 0.000 0.979 114 R CB -0.633 29.643 30.300 -0.039 0.000 0.869 114 R HN 0.524 nan 8.270 nan 0.000 0.452 115 L N -0.201 121.014 121.223 -0.014 0.000 2.102 115 L HA -0.027 4.313 4.340 -0.000 0.000 0.202 115 L C 2.065 178.936 176.870 0.002 0.000 1.076 115 L CA 1.147 55.983 54.840 -0.006 0.000 0.761 115 L CB -0.268 41.795 42.059 0.006 0.000 0.921 115 L HN -0.005 nan 8.230 nan 0.000 0.444 116 V N 0.354 120.278 119.914 0.016 0.000 2.278 116 V HA -0.342 3.778 4.120 -0.000 0.000 0.251 116 V C 2.413 178.524 176.094 0.029 0.000 1.062 116 V CA 2.160 64.484 62.300 0.040 0.000 1.038 116 V CB -0.693 31.167 31.823 0.062 0.000 0.646 116 V HN 0.395 nan 8.190 nan 0.000 0.447 117 L N -0.086 121.133 121.223 -0.007 0.000 1.842 117 L HA -0.151 4.189 4.340 -0.000 0.000 0.229 117 L C 2.832 179.669 176.870 -0.055 0.000 1.096 117 L CA 2.174 56.985 54.840 -0.049 0.000 0.859 117 L CB -1.806 40.173 42.059 -0.133 0.000 0.897 117 L HN 0.519 nan 8.230 nan 0.000 0.445 118 T N -1.011 113.478 114.554 -0.108 0.000 2.759 118 T HA -0.333 4.017 4.350 -0.000 0.000 0.247 118 T C 1.583 176.279 174.700 -0.008 0.000 1.131 118 T CA 2.693 64.754 62.100 -0.065 0.000 1.135 118 T CB -1.605 67.230 68.868 -0.055 0.000 0.825 118 T HN 0.180 nan 8.240 nan 0.000 0.483 119 V N 2.034 121.946 119.914 -0.003 0.000 2.287 119 V HA -0.164 3.956 4.120 -0.000 0.000 0.248 119 V C 3.041 179.143 176.094 0.013 0.000 1.053 119 V CA 2.287 64.592 62.300 0.008 0.000 1.027 119 V CB -0.898 30.935 31.823 0.017 0.000 0.646 119 V HN 0.338 nan 8.190 nan 0.000 0.447 120 R N 1.205 121.721 120.500 0.027 0.000 2.113 120 R HA -0.123 4.217 4.340 -0.000 0.000 0.231 120 R C 2.625 178.936 176.300 0.018 0.000 1.129 120 R CA 2.041 58.163 56.100 0.037 0.000 0.915 120 R CB -1.539 28.797 30.300 0.061 0.000 0.837 120 R HN 0.535 nan 8.270 nan 0.000 0.430 121 S N 0.819 116.553 115.700 0.057 0.000 2.440 121 S HA -0.181 4.289 4.470 -0.000 0.000 0.240 121 S C 1.602 176.237 174.600 0.058 0.000 1.014 121 S CA 1.485 59.753 58.200 0.113 0.000 0.980 121 S CB -0.482 62.914 63.200 0.326 0.000 0.775 121 S HN 0.386 nan 8.310 nan 0.000 0.499 122 N N 1.102 119.818 118.700 0.027 0.000 2.381 122 N HA 0.057 4.797 4.740 -0.000 0.000 0.182 122 N C 1.262 176.728 175.510 -0.074 0.000 1.025 122 N CA 0.565 53.610 53.050 -0.008 0.000 0.888 122 N CB -0.277 38.206 38.487 -0.006 0.000 0.965 122 N HN 0.372 nan 8.380 nan 0.000 0.438 123 L N -0.083 121.068 121.223 -0.121 0.000 2.552 123 L HA 0.092 4.432 4.340 -0.000 0.000 0.227 123 L C -0.175 176.503 176.870 -0.319 0.000 1.146 123 L CA 0.158 54.848 54.840 -0.251 0.000 0.858 123 L CB 0.020 41.879 42.059 -0.334 0.000 0.969 123 L HN 0.144 nan 8.230 nan 0.000 0.451 124 I N 0.877 121.323 120.570 -0.206 0.000 2.377 124 I HA 0.310 4.480 4.170 -0.000 0.000 0.293 124 I C -1.999 174.051 176.117 -0.111 0.000 0.987 124 I CA -2.815 58.389 61.300 -0.160 0.000 1.185 124 I CB 0.779 38.728 38.000 -0.085 0.000 1.341 124 I HN -0.158 nan 8.210 nan 0.000 0.455 125 P HA 0.171 nan 4.420 nan 0.000 0.271 125 P C -0.474 176.763 177.300 -0.104 0.000 1.218 125 P CA -0.152 62.883 63.100 -0.110 0.000 0.780 125 P CB 1.533 33.152 31.700 -0.135 0.000 0.901 126 S N 2.197 117.829 115.700 -0.114 0.000 2.616 126 S HA 0.370 4.840 4.470 -0.000 0.000 0.276 126 S C -2.716 171.814 174.600 -0.116 0.000 1.159 126 S CA -0.982 57.146 58.200 -0.120 0.000 1.000 126 S CB 0.450 63.552 63.200 -0.164 0.000 1.117 126 S HN 0.368 nan 8.310 nan 0.000 0.464 127 P HA 0.235 nan 4.420 nan 0.000 0.270 127 P C -2.570 174.691 177.300 -0.066 0.000 1.221 127 P CA -0.719 62.356 63.100 -0.042 0.000 0.788 127 P CB -0.672 31.004 31.700 -0.040 0.000 0.904 128 P HA -0.059 nan 4.420 nan 0.000 0.271 128 P C 0.541 177.753 177.300 -0.146 0.000 1.238 128 P CA 0.263 63.307 63.100 -0.094 0.000 0.794 128 P CB 0.391 32.032 31.700 -0.098 0.000 0.959 129 T N -2.610 111.804 114.554 -0.232 0.000 3.311 129 T HA 0.195 4.545 4.350 -0.000 0.000 0.239 129 T C 0.568 175.032 174.700 -0.393 0.000 0.976 129 T CA 0.233 62.064 62.100 -0.449 0.000 1.283 129 T CB -0.492 67.855 68.868 -0.869 0.000 1.113 129 T HN 0.405 nan 8.240 nan 0.000 0.392 130 Y N 2.517 122.797 120.300 -0.035 0.000 2.650 130 Y HA 0.720 5.270 4.550 -0.000 0.000 0.331 130 Y C 0.131 175.979 175.900 -0.087 0.000 1.082 130 Y CA -1.346 56.712 58.100 -0.069 0.000 1.171 130 Y CB 1.244 39.671 38.460 -0.054 0.000 1.326 130 Y HN 0.499 nan 8.280 nan 0.000 0.513 131 N N -0.803 117.930 118.700 0.054 0.000 3.316 131 N HA 0.202 4.942 4.740 -0.000 0.000 0.300 131 N C -0.408 175.090 175.510 -0.020 0.000 1.567 131 N CA -0.736 52.289 53.050 -0.042 0.000 0.821 131 N CB 0.382 38.662 38.487 -0.345 0.000 1.748 131 N HN 0.574 nan 8.380 nan 0.000 0.603 132 I N -0.630 119.965 120.570 0.042 0.000 2.916 132 I HA 0.173 4.343 4.170 -0.000 0.000 0.267 132 I C 1.518 177.640 176.117 0.009 0.000 1.263 132 I CA 1.031 62.361 61.300 0.050 0.000 1.471 132 I CB -0.993 37.061 38.000 0.090 0.000 1.089 132 I HN 0.702 nan 8.210 nan 0.000 0.468 133 A N -0.982 121.807 122.820 -0.052 0.000 1.924 133 A HA 0.122 4.442 4.320 -0.000 0.000 0.211 133 A C 0.774 178.007 177.584 -0.586 0.000 1.198 133 A CA 0.561 52.430 52.037 -0.280 0.000 0.657 133 A CB -0.251 18.559 19.000 -0.317 0.000 0.852 133 A HN 0.480 nan 8.150 nan 0.000 0.454 134 H N -0.213 118.677 119.070 -0.299 0.000 2.538 134 H HA 0.338 4.894 4.556 -0.000 0.000 0.353 134 H C -1.365 173.576 175.328 -0.645 0.000 1.109 134 H CA -0.723 54.926 56.048 -0.664 0.000 1.192 134 H CB 1.510 30.860 29.762 -0.685 0.000 1.555 134 H HN 0.211 nan 8.280 nan 0.000 0.518 135 D N 3.083 123.027 120.400 -0.760 0.000 2.895 135 D HA 0.094 4.734 4.640 -0.000 0.000 0.258 135 D C -0.487 175.465 176.300 -0.580 0.000 1.311 135 D CA 0.183 53.773 54.000 -0.682 0.000 0.843 135 D CB 0.061 40.594 40.800 -0.445 0.000 1.055 135 D HN 0.432 nan 8.370 nan 0.000 0.486 136 Y N -2.715 117.642 120.300 0.095 0.000 2.677 136 Y HA 0.423 4.973 4.550 -0.000 0.000 0.334 136 Y C -0.976 175.121 175.900 0.329 0.000 1.196 136 Y CA -1.777 56.511 58.100 0.314 0.000 1.059 136 Y CB -0.164 38.370 38.460 0.124 0.000 1.315 136 Y HN -0.343 nan 8.280 nan 0.000 0.455 137 I N 2.924 123.785 120.570 0.485 0.000 2.618 137 I HA 0.439 4.609 4.170 -0.000 0.000 0.284 137 I C 0.354 176.599 176.117 0.214 0.000 1.146 137 I CA 0.636 62.069 61.300 0.221 0.000 1.425 137 I CB 0.467 38.517 38.000 0.084 0.000 1.383 137 I HN 0.726 nan 8.210 nan 0.000 0.562 138 S N 5.695 121.451 115.700 0.092 0.000 2.546 138 S HA 0.255 4.725 4.470 -0.000 0.000 0.274 138 S C 0.173 174.781 174.600 0.012 0.000 1.121 138 S CA -0.915 57.301 58.200 0.027 0.000 0.887 138 S CB 1.038 64.120 63.200 -0.196 0.000 1.094 138 S HN 0.799 nan 8.310 nan 0.000 0.474 139 W N 1.833 123.132 121.300 -0.001 0.000 2.421 139 W HA -0.074 4.586 4.660 -0.000 0.000 0.270 139 W C 1.270 177.843 176.519 0.090 0.000 1.233 139 W CA 1.995 59.386 57.345 0.076 0.000 1.226 139 W CB -0.046 29.451 29.460 0.061 0.000 1.121 139 W HN 0.997 nan 8.180 nan 0.000 0.579 140 E N 0.329 120.530 120.200 0.001 0.000 2.028 140 E HA -0.190 4.160 4.350 -0.000 0.000 0.191 140 E C 2.365 178.870 176.600 -0.157 0.000 0.988 140 E CA 2.110 58.501 56.400 -0.015 0.000 0.799 140 E CB -0.764 28.979 29.700 0.072 0.000 0.755 140 E HN 0.001 nan 8.360 nan 0.000 0.447 141 S N -1.096 114.459 115.700 -0.242 0.000 2.400 141 S HA -0.159 4.311 4.470 -0.000 0.000 0.232 141 S C 1.796 176.256 174.600 -0.234 0.000 1.025 141 S CA 1.246 59.286 58.200 -0.266 0.000 0.993 141 S CB -0.555 62.521 63.200 -0.206 0.000 0.808 141 S HN 0.434 nan 8.310 nan 0.000 0.478 142 F N 2.467 122.168 119.950 -0.416 0.000 2.163 142 F HA 0.030 4.557 4.527 -0.000 0.000 0.297 142 F C 2.486 177.993 175.800 -0.489 0.000 1.094 142 F CA 1.823 59.523 58.000 -0.500 0.000 1.290 142 F CB -0.741 37.819 39.000 -0.734 0.000 1.017 142 F HN 0.361 nan 8.300 nan 0.000 0.483 143 S N -0.810 114.426 115.700 -0.772 0.000 2.439 143 S HA -0.008 4.462 4.470 -0.000 0.000 0.224 143 S C 1.046 175.484 174.600 -0.269 0.000 1.029 143 S CA 0.160 58.000 58.200 -0.601 0.000 0.946 143 S CB -0.738 62.290 63.200 -0.288 0.000 0.797 143 S HN 0.341 nan 8.310 nan 0.000 0.504 144 N N 2.491 121.121 118.700 -0.116 0.000 2.605 144 N HA 0.179 4.919 4.740 -0.000 0.000 0.258 144 N C 0.903 176.463 175.510 0.084 0.000 1.156 144 N CA -0.021 53.074 53.050 0.074 0.000 1.008 144 N CB 0.590 39.261 38.487 0.306 0.000 1.354 144 N HN 0.156 nan 8.380 nan 0.000 0.509 145 V N 2.061 121.986 119.914 0.019 0.000 2.546 145 V HA -0.268 3.852 4.120 -0.000 0.000 0.254 145 V C 2.066 178.272 176.094 0.187 0.000 1.076 145 V CA 1.656 64.006 62.300 0.083 0.000 1.087 145 V CB -0.607 31.274 31.823 0.097 0.000 0.674 145 V HN 0.567 nan 8.190 nan 0.000 0.470 146 S N -2.208 113.575 115.700 0.138 0.000 2.387 146 S HA -0.165 4.305 4.470 -0.000 0.000 0.230 146 S C 0.726 175.333 174.600 0.012 0.000 1.035 146 S CA 1.152 59.411 58.200 0.100 0.000 1.014 146 S CB -0.413 62.873 63.200 0.144 0.000 0.836 146 S HN 0.591 nan 8.310 nan 0.000 0.466 147 Y N 0.226 120.446 120.300 -0.132 0.000 2.397 147 Y HA 0.264 4.814 4.550 -0.000 0.000 0.335 147 Y C 0.550 176.370 175.900 -0.133 0.000 1.213 147 Y CA -0.472 57.409 58.100 -0.365 0.000 1.391 147 Y CB 0.260 38.546 38.460 -0.290 0.000 1.293 147 Y HN 0.056 nan 8.280 nan 0.000 0.557 148 Y N 0.370 120.697 120.300 0.045 0.000 2.326 148 Y HA 0.317 4.867 4.550 -0.000 0.000 0.324 148 Y C 0.648 176.573 175.900 0.042 0.000 1.291 148 Y CA -0.986 57.167 58.100 0.088 0.000 1.348 148 Y CB 1.374 39.876 38.460 0.071 0.000 1.294 148 Y HN 0.481 nan 8.280 nan 0.000 0.525 149 T N 1.985 116.666 114.554 0.211 0.000 2.932 149 T HA 0.719 5.069 4.350 -0.000 0.000 0.289 149 T C -0.940 173.827 174.700 0.111 0.000 1.039 149 T CA -0.927 61.233 62.100 0.099 0.000 1.024 149 T CB 0.686 69.570 68.868 0.026 0.000 1.090 149 T HN 0.719 nan 8.240 nan 0.000 0.496 150 R N 3.358 123.941 120.500 0.139 0.000 2.778 150 R HA 0.581 4.921 4.340 -0.000 0.000 0.277 150 R C 0.491 176.938 176.300 0.245 0.000 0.977 150 R CA -1.021 55.194 56.100 0.191 0.000 0.950 150 R CB 0.784 31.199 30.300 0.192 0.000 1.165 150 R HN 0.374 nan 8.270 nan 0.000 0.474 151 I N 0.912 121.674 120.570 0.320 0.000 2.296 151 I HA 0.082 4.252 4.170 -0.000 0.000 0.242 151 I C 0.959 177.232 176.117 0.260 0.000 1.087 151 I CA 0.675 62.158 61.300 0.305 0.000 1.393 151 I CB -0.432 37.859 38.000 0.486 0.000 1.093 151 I HN 0.554 nan 8.210 nan 0.000 0.421 152 L N 2.164 123.518 121.223 0.218 0.000 2.334 152 L HA 0.325 4.665 4.340 -0.000 0.000 0.275 152 L C -2.087 174.828 176.870 0.075 0.000 1.036 152 L CA -1.724 53.146 54.840 0.050 0.000 0.807 152 L CB 1.304 43.164 42.059 -0.331 0.000 1.231 152 L HN -0.057 nan 8.230 nan 0.000 0.438 153 P HA 0.052 nan 4.420 nan 0.000 0.273 153 P C -0.546 176.693 177.300 -0.102 0.000 1.250 153 P CA -0.386 62.551 63.100 -0.272 0.000 0.793 153 P CB 0.736 32.192 31.700 -0.407 0.000 1.011 154 S N -0.417 115.227 115.700 -0.093 0.000 2.640 154 S HA 0.214 4.684 4.470 -0.000 0.000 0.262 154 S C 0.307 174.921 174.600 0.024 0.000 1.232 154 S CA -0.745 57.449 58.200 -0.010 0.000 0.988 154 S CB -0.198 62.997 63.200 -0.008 0.000 1.034 154 S HN 0.259 nan 8.310 nan 0.000 0.569 155 V N 2.987 122.939 119.914 0.064 0.000 2.508 155 V HA 0.255 4.375 4.120 -0.000 0.000 0.281 155 V C -2.150 173.958 176.094 0.023 0.000 1.041 155 V CA -1.446 60.908 62.300 0.091 0.000 1.016 155 V CB 0.069 31.954 31.823 0.104 0.000 0.984 155 V HN 0.738 nan 8.190 nan 0.000 0.478 156 P HA 0.082 nan 4.420 nan 0.000 0.261 156 P C 0.290 177.574 177.300 -0.026 0.000 1.183 156 P CA 0.260 63.337 63.100 -0.039 0.000 0.761 156 P CB 0.277 31.930 31.700 -0.079 0.000 0.785 157 R N 2.857 123.349 120.500 -0.013 0.000 4.902 157 R HA 0.092 4.432 4.340 -0.000 0.000 0.201 157 R C 0.386 176.682 176.300 -0.006 0.000 2.020 157 R CA 0.571 56.669 56.100 -0.002 0.000 1.674 157 R CB -1.424 28.879 30.300 0.005 0.000 1.349 157 R HN 0.740 nan 8.270 nan 0.000 0.813 158 D N -2.730 117.659 120.400 -0.018 0.000 3.137 158 D HA 0.003 4.643 4.640 -0.000 0.000 0.308 158 D C -0.737 175.541 176.300 -0.038 0.000 1.531 158 D CA -0.381 53.608 54.000 -0.018 0.000 0.899 158 D CB -1.610 39.184 40.800 -0.010 0.000 1.670 158 D HN 0.277 nan 8.370 nan 0.000 0.425 159 c N 1.231 119.797 118.600 -0.056 0.000 2.382 159 c HA 0.439 5.009 4.570 -0.000 0.000 0.363 159 c C -0.511 173.537 174.090 -0.070 0.000 1.213 159 c CA -0.856 55.414 56.329 -0.098 0.000 2.363 159 c CB 1.471 43.891 42.510 -0.149 0.000 2.397 159 c HN 0.126 nan 8.230 nan 0.000 0.573 160 P HA -0.094 nan 4.420 nan 0.000 0.211 160 P C 0.635 177.918 177.300 -0.029 0.000 1.181 160 P CA 1.519 64.589 63.100 -0.050 0.000 0.929 160 P CB -0.216 31.445 31.700 -0.065 0.000 0.789 161 T N -4.974 109.558 114.554 -0.035 0.000 2.922 161 T HA 0.293 4.643 4.350 -0.000 0.000 0.285 161 T C -2.033 172.678 174.700 0.020 0.000 1.005 161 T CA -2.030 60.073 62.100 0.005 0.000 1.061 161 T CB 0.982 69.864 68.868 0.023 0.000 1.007 161 T HN -0.145 nan 8.240 nan 0.000 0.502 162 P HA 0.010 nan 4.420 nan 0.000 0.221 162 P C 1.059 178.417 177.300 0.096 0.000 1.145 162 P CA 1.019 64.160 63.100 0.068 0.000 0.795 162 P CB 0.069 31.819 31.700 0.084 0.000 0.775 163 M N -3.128 116.539 119.600 0.111 0.000 2.313 163 M HA 0.340 4.820 4.480 -0.000 0.000 0.273 163 M C 1.146 177.547 176.300 0.168 0.000 1.049 163 M CA 0.498 55.894 55.300 0.159 0.000 1.004 163 M CB 0.649 33.363 32.600 0.190 0.000 1.461 163 M HN 0.062 nan 8.290 nan 0.000 0.514 164 G N 0.293 109.114 108.800 0.034 0.000 1.672 164 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.110 164 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.110 164 G C 0.646 175.407 174.900 -0.231 0.000 1.946 164 G CA 0.299 45.316 45.100 -0.140 0.000 1.302 164 G HN 0.176 nan 8.290 nan 0.000 0.416 165 T N 1.147 115.589 114.554 -0.186 0.000 3.105 165 T HA 0.302 4.652 4.350 -0.000 0.000 0.257 165 T C 0.635 175.306 174.700 -0.048 0.000 0.949 165 T CA 0.730 62.707 62.100 -0.204 0.000 0.959 165 T CB 0.563 69.204 68.868 -0.378 0.000 1.205 165 T HN 0.443 nan 8.240 nan 0.000 0.496 166 K N 1.453 121.862 120.400 0.015 0.000 2.098 166 K HA 0.630 4.950 4.320 -0.000 0.000 0.258 166 K C 0.274 176.931 176.600 0.094 0.000 0.973 166 K CA -0.376 55.949 56.287 0.064 0.000 0.898 166 K CB 1.542 34.092 32.500 0.084 0.000 1.057 166 K HN 0.369 nan 8.250 nan 0.000 0.447 167 G N -0.869 107.996 108.800 0.109 0.000 2.408 167 G HA2 0.159 4.119 3.960 -0.000 0.000 0.682 167 G HA3 0.159 4.119 3.960 -0.000 0.000 0.682 167 G C -1.210 173.753 174.900 0.105 0.000 1.303 167 G CA -0.573 44.612 45.100 0.141 0.000 0.966 167 G HN 0.655 nan 8.290 nan 0.000 0.560 168 K N -0.349 120.116 120.400 0.108 0.000 2.144 168 K HA 0.872 5.192 4.320 -0.000 0.000 0.270 168 K C 1.698 178.330 176.600 0.053 0.000 1.005 168 K CA 1.143 57.471 56.287 0.067 0.000 0.932 168 K CB 0.351 32.881 32.500 0.050 0.000 1.021 168 K HN 2.235 nan 8.250 nan 0.000 0.462 169 K N 0.002 120.424 120.400 0.036 0.000 2.228 169 K HA 0.042 4.362 4.320 -0.000 0.000 0.205 169 K C 1.338 177.954 176.600 0.026 0.000 1.045 169 K CA 2.777 59.081 56.287 0.027 0.000 0.931 169 K CB -1.087 31.424 32.500 0.018 0.000 0.727 169 K HN 1.555 nan 8.250 nan 0.000 0.458 170 Q N -0.566 119.246 119.800 0.020 0.000 2.372 170 Q HA 0.727 5.067 4.340 -0.000 0.000 0.273 170 Q C -0.315 175.684 176.000 -0.001 0.000 1.078 170 Q CA -0.722 55.088 55.803 0.012 0.000 0.806 170 Q CB 1.175 29.912 28.738 -0.002 0.000 1.332 170 Q HN 0.460 nan 8.270 nan 0.000 0.435 171 L N 1.791 123.017 121.223 0.004 0.000 2.436 171 L HA 0.462 4.802 4.340 -0.000 0.000 0.265 171 L C -1.842 174.967 176.870 -0.101 0.000 1.168 171 L CA -1.797 53.019 54.840 -0.041 0.000 0.815 171 L CB 0.936 43.017 42.059 0.037 0.000 1.109 171 L HN 0.575 nan 8.230 nan 0.000 0.462 172 P HA 0.040 nan 4.420 nan 0.000 0.262 172 P C -0.495 176.789 177.300 -0.027 0.000 1.182 172 P CA 0.115 63.122 63.100 -0.155 0.000 0.761 172 P CB 0.113 31.634 31.700 -0.299 0.000 0.795 173 D N 2.773 123.181 120.400 0.013 0.000 2.502 173 D HA 0.161 4.801 4.640 -0.000 0.000 0.249 173 D C 1.501 177.852 176.300 0.086 0.000 1.188 173 D CA 0.407 54.431 54.000 0.040 0.000 0.890 173 D CB 0.224 41.039 40.800 0.025 0.000 1.140 173 D HN 0.470 nan 8.370 nan 0.000 0.505 174 A N 1.423 124.284 122.820 0.068 0.000 2.076 174 A HA 0.214 4.534 4.320 -0.000 0.000 0.220 174 A C 2.343 179.971 177.584 0.073 0.000 1.160 174 A CA 2.381 54.466 52.037 0.080 0.000 0.653 174 A CB -0.572 18.471 19.000 0.073 0.000 0.801 174 A HN 1.017 nan 8.150 nan 0.000 0.455 175 E N -0.866 119.379 120.200 0.076 0.000 2.028 175 E HA -0.097 4.253 4.350 -0.000 0.000 0.190 175 E C 1.813 178.462 176.600 0.083 0.000 0.984 175 E CA 1.228 57.670 56.400 0.071 0.000 0.800 175 E CB -0.821 28.919 29.700 0.067 0.000 0.758 175 E HN 0.649 nan 8.360 nan 0.000 0.448 176 F N 0.845 120.749 119.950 -0.076 0.000 2.010 176 F HA -0.088 4.439 4.527 0.000 0.000 0.296 176 F C 2.320 177.991 175.800 -0.215 0.000 1.146 176 F CA 1.778 59.697 58.000 -0.134 0.000 1.181 176 F CB -0.788 38.135 39.000 -0.127 0.000 0.965 176 F HN 0.212 nan 8.300 nan 0.000 0.480 177 L N 0.032 121.177 121.223 -0.131 0.000 2.103 177 L HA -0.292 4.048 4.340 -0.000 0.000 0.215 177 L C 2.366 179.093 176.870 -0.238 0.000 1.080 177 L CA 2.272 56.978 54.840 -0.224 0.000 0.764 177 L CB -1.223 40.889 42.059 0.089 0.000 0.890 177 L HN 0.239 nan 8.230 nan 0.000 0.435 178 S N -1.145 114.488 115.700 -0.113 0.000 2.335 178 S HA -0.120 4.350 4.470 -0.000 0.000 0.217 178 S C 2.301 176.816 174.600 -0.142 0.000 1.032 178 S CA 1.360 59.529 58.200 -0.051 0.000 0.985 178 S CB -0.416 62.797 63.200 0.023 0.000 0.896 178 S HN 0.647 nan 8.310 nan 0.000 0.445 179 R N 2.080 122.472 120.500 -0.181 0.000 2.083 179 R HA -0.004 4.336 4.340 -0.000 0.000 0.237 179 R C 2.139 178.240 176.300 -0.332 0.000 1.137 179 R CA 1.722 57.710 56.100 -0.187 0.000 0.951 179 R CB -1.369 28.848 30.300 -0.138 0.000 0.851 179 R HN 0.234 nan 8.270 nan 0.000 0.434 180 R N -0.854 119.240 120.500 -0.677 0.000 2.096 180 R HA -0.047 4.293 4.340 -0.000 0.000 0.240 180 R C 2.036 177.900 176.300 -0.727 0.000 1.139 180 R CA 2.139 57.639 56.100 -1.000 0.000 0.952 180 R CB -0.492 28.620 30.300 -1.980 0.000 0.854 180 R HN 0.672 nan 8.270 nan 0.000 0.436 181 F N -1.536 118.305 119.950 -0.180 0.000 2.667 181 F HA 0.190 4.717 4.527 -0.000 0.000 0.288 181 F C 1.945 177.691 175.800 -0.089 0.000 1.086 181 F CA -0.288 57.635 58.000 -0.127 0.000 1.297 181 F CB 0.047 38.972 39.000 -0.124 0.000 1.059 181 F HN -0.203 nan 8.300 nan 0.000 0.624 182 L N 0.724 121.996 121.223 0.083 0.000 2.529 182 L HA 0.186 4.526 4.340 -0.000 0.000 0.223 182 L C 0.260 177.158 176.870 0.046 0.000 1.113 182 L CA -0.079 54.800 54.840 0.065 0.000 0.861 182 L CB 0.072 42.185 42.059 0.090 0.000 1.012 182 L HN 0.108 nan 8.230 nan 0.000 0.461 183 L N 1.715 122.943 121.223 0.009 0.000 2.410 183 L HA 0.162 4.502 4.340 -0.000 0.000 0.273 183 L C 0.742 177.618 176.870 0.010 0.000 1.152 183 L CA 0.165 55.013 54.840 0.014 0.000 0.855 183 L CB 0.411 42.462 42.059 -0.014 0.000 1.129 183 L HN 0.110 nan 8.230 nan 0.000 0.463 184 R N 3.645 124.158 120.500 0.022 0.000 2.594 184 R HA 0.220 4.560 4.340 -0.000 0.000 0.272 184 R C 0.067 176.358 176.300 -0.015 0.000 1.074 184 R CA -0.082 56.025 56.100 0.011 0.000 1.105 184 R CB 0.736 31.057 30.300 0.035 0.000 1.008 184 R HN 0.827 nan 8.270 nan 0.000 0.472 185 R N 2.429 122.920 120.500 -0.014 0.000 2.207 185 R HA 0.234 4.574 4.340 -0.000 0.000 0.180 185 R C -0.304 175.989 176.300 -0.012 0.000 1.445 185 R CA 1.390 57.477 56.100 -0.021 0.000 1.217 185 R CB -0.461 29.828 30.300 -0.018 0.000 1.135 185 R HN 0.571 nan 8.270 nan 0.000 0.481 186 K N 1.351 121.751 120.400 0.001 0.000 2.206 186 K HA 0.375 4.695 4.320 -0.000 0.000 0.264 186 K C -0.902 175.732 176.600 0.056 0.000 0.967 186 K CA -0.716 55.587 56.287 0.026 0.000 0.844 186 K CB 0.037 32.541 32.500 0.008 0.000 1.099 186 K HN 0.272 nan 8.250 nan 0.000 0.441 187 F N 3.503 123.420 119.950 -0.055 0.000 2.519 187 F HA 0.341 4.868 4.527 -0.000 0.000 0.375 187 F C -0.074 175.699 175.800 -0.045 0.000 1.084 187 F CA -0.627 57.343 58.000 -0.050 0.000 1.147 187 F CB -0.052 38.915 39.000 -0.055 0.000 1.088 187 F HN 0.471 nan 8.300 nan 0.000 0.555 188 I N 9.738 129.944 120.570 -0.606 0.000 2.291 188 I HA 0.236 4.406 4.170 -0.000 0.000 0.290 188 I C -1.919 173.653 176.117 -0.907 0.000 1.050 188 I CA -2.044 58.919 61.300 -0.562 0.000 1.245 188 I CB 0.414 38.224 38.000 -0.316 0.000 1.405 188 I HN 0.462 nan 8.210 nan 0.000 0.478 189 P HA 0.030 nan 4.420 nan 0.000 0.274 189 P C -0.761 176.341 177.300 -0.328 0.000 1.246 189 P CA -0.335 62.393 63.100 -0.619 0.000 0.795 189 P CB 0.785 32.368 31.700 -0.196 0.000 1.006 190 D N 1.616 121.880 120.400 -0.226 0.000 2.358 190 D HA 0.047 4.687 4.640 -0.000 0.000 0.258 190 D C -0.997 175.200 176.300 -0.172 0.000 1.223 190 D CA -1.851 52.025 54.000 -0.206 0.000 0.886 190 D CB 0.235 40.909 40.800 -0.209 0.000 1.120 190 D HN 0.156 nan 8.370 nan 0.000 0.482 191 P HA -0.218 nan 4.420 nan 0.000 0.222 191 P C 0.385 177.599 177.300 -0.142 0.000 1.142 191 P CA 1.236 64.254 63.100 -0.137 0.000 0.788 191 P CB 0.200 31.826 31.700 -0.123 0.000 0.767 192 Q N -1.431 118.260 119.800 -0.181 0.000 2.360 192 Q HA 0.272 4.612 4.340 -0.000 0.000 0.202 192 Q C 1.320 177.221 176.000 -0.165 0.000 0.915 192 Q CA 0.485 56.169 55.803 -0.198 0.000 0.943 192 Q CB 0.009 28.586 28.738 -0.269 0.000 1.064 192 Q HN 0.265 nan 8.270 nan 0.000 0.511 193 G N 1.366 110.097 108.800 -0.115 0.000 2.159 193 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.256 193 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.256 193 G C 0.254 175.148 174.900 -0.011 0.000 0.977 193 G CA 0.263 45.342 45.100 -0.036 0.000 0.652 193 G HN 0.315 nan 8.290 nan 0.000 0.531 194 T N 1.783 116.264 114.554 -0.123 0.000 2.934 194 T HA 0.387 4.737 4.350 -0.000 0.000 0.306 194 T C 0.743 175.420 174.700 -0.037 0.000 1.042 194 T CA 0.920 62.908 62.100 -0.185 0.000 1.145 194 T CB 0.735 69.370 68.868 -0.389 0.000 0.982 194 T HN 0.898 nan 8.240 nan 0.000 0.544 195 N N 2.326 121.053 118.700 0.046 0.000 2.619 195 N HA 0.321 5.061 4.740 -0.000 0.000 0.294 195 N C 0.741 176.326 175.510 0.125 0.000 1.279 195 N CA -1.242 51.871 53.050 0.104 0.000 0.867 195 N CB 0.451 39.024 38.487 0.144 0.000 1.329 195 N HN 0.380 nan 8.380 nan 0.000 0.557 196 L N -0.901 120.370 121.223 0.078 0.000 2.201 196 L HA -0.017 4.323 4.340 -0.000 0.000 0.212 196 L C 1.991 178.840 176.870 -0.035 0.000 1.105 196 L CA 0.917 55.715 54.840 -0.070 0.000 0.775 196 L CB -0.336 41.686 42.059 -0.063 0.000 0.913 196 L HN 0.595 nan 8.230 nan 0.000 0.440 197 M N -0.633 119.110 119.600 0.239 0.000 2.358 197 M HA -0.222 4.258 4.480 -0.000 0.000 0.264 197 M C 1.742 178.264 176.300 0.370 0.000 1.064 197 M CA 1.684 57.210 55.300 0.377 0.000 1.093 197 M CB -0.412 32.433 32.600 0.408 0.000 1.401 197 M HN 0.193 nan 8.290 nan 0.000 0.440 198 F N 0.008 119.980 119.950 0.036 0.000 2.188 198 F HA 0.220 4.747 4.527 -0.000 0.000 0.289 198 F C 2.091 177.825 175.800 -0.110 0.000 1.082 198 F CA 1.153 58.984 58.000 -0.282 0.000 1.282 198 F CB -0.853 37.926 39.000 -0.368 0.000 1.060 198 F HN 0.114 nan 8.300 nan 0.000 0.493 199 A N 0.537 123.348 122.820 -0.014 0.000 1.958 199 A HA -0.222 4.098 4.320 -0.000 0.000 0.221 199 A C 2.016 179.541 177.584 -0.098 0.000 1.178 199 A CA 2.117 54.104 52.037 -0.083 0.000 0.642 199 A CB -1.438 17.467 19.000 -0.158 0.000 0.816 199 A HN 0.465 nan 8.150 nan 0.000 0.453 200 F N -1.655 118.312 119.950 0.029 0.000 2.118 200 F HA 0.041 4.568 4.527 -0.000 0.000 0.293 200 F C 2.036 177.798 175.800 -0.064 0.000 1.102 200 F CA 0.198 58.214 58.000 0.027 0.000 1.247 200 F CB -1.417 37.651 39.000 0.113 0.000 1.017 200 F HN 0.340 nan 8.300 nan 0.000 0.475 201 F N 0.852 120.705 119.950 -0.162 0.000 2.115 201 F HA -0.310 4.217 4.527 -0.000 0.000 0.300 201 F C 2.356 177.963 175.800 -0.321 0.000 1.092 201 F CA 1.700 59.334 58.000 -0.609 0.000 1.245 201 F CB -0.335 38.350 39.000 -0.525 0.000 0.995 201 F HN -0.041 nan 8.300 nan 0.000 0.481 202 A N -0.149 122.695 122.820 0.038 0.000 1.851 202 A HA -0.322 3.998 4.320 -0.000 0.000 0.216 202 A C 2.152 179.732 177.584 -0.005 0.000 1.195 202 A CA 1.997 54.087 52.037 0.089 0.000 0.622 202 A CB -1.260 17.734 19.000 -0.009 0.000 0.831 202 A HN 0.627 nan 8.150 nan 0.000 0.444 203 Q N -1.135 118.658 119.800 -0.012 0.000 2.030 203 Q HA -0.276 4.064 4.340 -0.000 0.000 0.204 203 Q C 2.006 177.959 176.000 -0.077 0.000 0.986 203 Q CA 2.155 57.922 55.803 -0.061 0.000 0.843 203 Q CB -0.385 28.323 28.738 -0.050 0.000 0.904 203 Q HN 0.912 nan 8.270 nan 0.000 0.420 204 H N -1.003 117.922 119.070 -0.242 0.000 2.280 204 H HA -0.241 4.315 4.556 -0.000 0.000 0.294 204 H C 1.945 177.228 175.328 -0.075 0.000 1.064 204 H CA 1.770 57.682 56.048 -0.227 0.000 1.208 204 H CB -0.487 29.103 29.762 -0.287 0.000 1.365 204 H HN 0.385 nan 8.280 nan 0.000 0.511 205 F N 1.727 121.549 119.950 -0.215 0.000 2.082 205 F HA -0.351 4.176 4.527 0.000 0.000 0.298 205 F C 2.866 178.290 175.800 -0.627 0.000 1.091 205 F CA 2.856 60.605 58.000 -0.418 0.000 1.230 205 F CB -1.127 37.651 39.000 -0.370 0.000 0.983 205 F HN 0.453 nan 8.300 nan 0.000 0.485 206 T N -2.937 111.132 114.554 -0.810 0.000 2.915 206 T HA -0.218 4.132 4.350 -0.000 0.000 0.269 206 T C 1.595 175.576 174.700 -1.199 0.000 1.071 206 T CA 1.695 62.969 62.100 -1.377 0.000 1.132 206 T CB -0.948 67.387 68.868 -0.889 0.000 0.878 206 T HN 0.473 nan 8.240 nan 0.000 0.479 207 H N 1.682 120.376 119.070 -0.626 0.000 2.563 207 H HA 0.120 4.676 4.556 -0.000 0.000 0.272 207 H C 2.315 177.383 175.328 -0.433 0.000 1.005 207 H CA 1.087 56.936 56.048 -0.332 0.000 1.171 207 H CB -0.227 29.553 29.762 0.030 0.000 1.351 207 H HN 0.768 nan 8.280 nan 0.000 0.602 208 Q N -0.246 119.101 119.800 -0.756 0.000 2.424 208 Q HA -0.023 4.317 4.340 -0.000 0.000 0.204 208 Q C 0.407 176.118 176.000 -0.482 0.000 0.933 208 Q CA 0.734 56.158 55.803 -0.631 0.000 0.929 208 Q CB 0.086 28.213 28.738 -1.017 0.000 1.037 208 Q HN 0.537 nan 8.270 nan 0.000 0.511 209 F N -2.523 117.066 119.950 -0.602 0.000 2.784 209 F HA 0.487 5.014 4.527 -0.000 0.000 0.323 209 F C -0.307 175.156 175.800 -0.562 0.000 1.085 209 F CA -1.138 56.499 58.000 -0.606 0.000 1.196 209 F CB 0.433 39.021 39.000 -0.688 0.000 1.053 209 F HN -0.213 nan 8.300 nan 0.000 0.578 210 F N 3.092 122.855 119.950 -0.311 0.000 2.361 210 F HA 0.595 5.122 4.527 -0.000 0.000 0.364 210 F C 0.016 175.674 175.800 -0.236 0.000 1.117 210 F CA -1.536 56.318 58.000 -0.244 0.000 1.071 210 F CB 1.313 39.994 39.000 -0.532 0.000 1.188 210 F HN -0.097 nan 8.300 nan 0.000 0.464 211 K N 2.321 122.797 120.400 0.126 0.000 2.987 211 K HA 0.143 4.463 4.320 -0.000 0.000 0.224 211 K C -0.874 175.761 176.600 0.058 0.000 1.209 211 K CA -0.278 56.028 56.287 0.030 0.000 0.971 211 K CB 1.294 33.776 32.500 -0.031 0.000 1.252 211 K HN 0.440 nan 8.250 nan 0.000 0.580 212 T N 1.215 115.841 114.554 0.121 0.000 2.853 212 T HA -0.017 4.333 4.350 -0.000 0.000 0.298 212 T C 0.567 175.289 174.700 0.036 0.000 0.978 212 T CA 0.442 62.609 62.100 0.112 0.000 1.152 212 T CB 0.949 69.933 68.868 0.193 0.000 0.914 212 T HN 0.217 nan 8.240 nan 0.000 0.539 213 S N 3.150 118.851 115.700 0.001 0.000 2.465 213 S HA 0.209 4.679 4.470 -0.000 0.000 0.307 213 S C 1.780 176.372 174.600 -0.013 0.000 1.187 213 S CA -0.373 57.816 58.200 -0.019 0.000 1.141 213 S CB -0.386 62.784 63.200 -0.050 0.000 1.108 213 S HN 0.859 nan 8.310 nan 0.000 0.525 214 G N 4.598 113.394 108.800 -0.007 0.000 2.476 214 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.218 214 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.218 214 G C 1.633 176.514 174.900 -0.032 0.000 1.164 214 G CA 1.372 46.468 45.100 -0.007 0.000 0.768 214 G HN 0.853 nan 8.290 nan 0.000 0.560 215 K N 0.413 120.786 120.400 -0.046 0.000 2.001 215 K HA 0.023 4.343 4.320 -0.000 0.000 0.214 215 K C 2.482 179.004 176.600 -0.130 0.000 1.050 215 K CA 2.036 58.279 56.287 -0.073 0.000 0.934 215 K CB -0.800 31.659 32.500 -0.069 0.000 0.718 215 K HN 0.414 nan 8.250 nan 0.000 0.443 216 M N -0.907 118.579 119.600 -0.190 0.000 2.476 216 M HA 0.163 4.643 4.480 -0.000 0.000 0.262 216 M C 1.253 177.354 176.300 -0.331 0.000 1.079 216 M CA 0.934 56.005 55.300 -0.382 0.000 1.104 216 M CB -0.004 32.244 32.600 -0.586 0.000 1.409 216 M HN 0.781 nan 8.290 nan 0.000 0.467 217 G N 0.014 108.742 108.800 -0.120 0.000 2.526 217 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.250 217 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.250 217 G C -3.144 171.830 174.900 0.122 0.000 1.289 217 G CA -1.309 43.788 45.100 -0.005 0.000 0.947 217 G HN 0.081 nan 8.290 nan 0.000 0.517 218 P HA 0.462 nan 4.420 nan 0.000 0.276 218 P C 0.967 178.445 177.300 0.296 0.000 1.252 218 P CA 1.690 64.911 63.100 0.201 0.000 0.802 218 P CB 0.912 32.697 31.700 0.142 0.000 1.035 219 G N -1.026 107.947 108.800 0.288 0.000 2.162 219 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.260 219 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.260 219 G C -0.252 174.542 174.900 -0.178 0.000 0.976 219 G CA -0.169 45.050 45.100 0.200 0.000 0.655 219 G HN 0.380 nan 8.290 nan 0.000 0.533 220 F N -0.577 119.267 119.950 -0.176 0.000 2.577 220 F HA 0.769 5.296 4.527 -0.000 0.000 0.318 220 F C 0.320 175.765 175.800 -0.591 0.000 1.065 220 F CA -0.283 57.497 58.000 -0.367 0.000 0.929 220 F CB 2.594 41.437 39.000 -0.262 0.000 1.237 220 F HN 0.036 nan 8.300 nan 0.000 0.468 221 T N 1.086 115.405 114.554 -0.391 0.000 2.928 221 T HA 0.297 4.647 4.350 -0.000 0.000 0.296 221 T C 0.404 174.991 174.700 -0.188 0.000 1.000 221 T CA -0.598 61.263 62.100 -0.399 0.000 0.989 221 T CB 1.211 69.685 68.868 -0.657 0.000 1.005 221 T HN 0.684 nan 8.240 nan 0.000 0.442 222 K N 2.647 122.972 120.400 -0.124 0.000 2.148 222 K HA 0.181 4.501 4.320 -0.000 0.000 0.204 222 K C 1.201 177.733 176.600 -0.113 0.000 1.050 222 K CA 0.828 57.061 56.287 -0.090 0.000 0.942 222 K CB 0.057 32.522 32.500 -0.059 0.000 0.724 222 K HN 0.627 nan 8.250 nan 0.000 0.446 223 A N 2.497 125.231 122.820 -0.143 0.000 2.899 223 A HA 0.163 4.483 4.320 -0.000 0.000 0.287 223 A C -0.023 177.385 177.584 -0.293 0.000 1.715 223 A CA -0.012 51.920 52.037 -0.175 0.000 1.393 223 A CB -0.804 18.099 19.000 -0.163 0.000 1.070 223 A HN 0.147 nan 8.150 nan 0.000 0.587 224 L N 0.703 121.799 121.223 -0.211 0.000 2.439 224 L HA 0.600 4.940 4.340 -0.000 0.000 0.261 224 L C 1.576 178.360 176.870 -0.143 0.000 1.153 224 L CA 0.518 55.238 54.840 -0.199 0.000 0.808 224 L CB 0.724 42.753 42.059 -0.050 0.000 1.126 224 L HN 0.807 nan 8.230 nan 0.000 0.460 225 G N -1.229 107.571 108.800 0.001 0.000 2.561 225 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.203 225 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.203 225 G C 0.617 175.584 174.900 0.112 0.000 1.101 225 G CA 0.081 45.205 45.100 0.040 0.000 0.711 225 G HN 0.818 nan 8.290 nan 0.000 0.511 226 H N 0.217 119.270 119.070 -0.028 0.000 3.888 226 H HA -0.234 4.322 4.556 -0.000 0.000 0.200 226 H C 1.571 176.808 175.328 -0.152 0.000 0.974 226 H CA 2.278 58.292 56.048 -0.056 0.000 1.220 226 H CB -1.442 28.291 29.762 -0.048 0.000 1.120 226 H HN 1.471 nan 8.280 nan 0.000 0.335 227 G N -0.263 108.525 108.800 -0.019 0.000 3.099 227 G HA2 0.473 4.433 3.960 -0.000 0.000 0.151 227 G HA3 0.473 4.433 3.960 -0.000 0.000 0.151 227 G C -0.017 174.843 174.900 -0.067 0.000 1.265 227 G CA 0.130 45.170 45.100 -0.100 0.000 0.981 227 G HN 0.077 nan 8.290 nan 0.000 0.601 228 V N 2.278 122.192 119.914 0.000 0.000 2.169 228 V HA 0.166 4.286 4.120 -0.000 0.000 0.271 228 V C 0.360 176.487 176.094 0.055 0.000 1.372 228 V CA 0.047 62.381 62.300 0.057 0.000 1.348 228 V CB 0.220 32.144 31.823 0.169 0.000 1.379 228 V HN 0.776 nan 8.190 nan 0.000 0.491 229 D N 1.905 122.324 120.400 0.032 0.000 2.354 229 D HA -0.015 4.625 4.640 -0.000 0.000 0.209 229 D C 1.026 177.384 176.300 0.096 0.000 1.015 229 D CA -0.235 53.795 54.000 0.051 0.000 0.867 229 D CB 0.362 41.183 40.800 0.034 0.000 0.933 229 D HN 0.266 nan 8.370 nan 0.000 0.520 230 L N 0.050 121.323 121.223 0.083 0.000 4.140 230 L HA -0.124 4.216 4.340 -0.000 0.000 0.406 230 L C 1.378 178.437 176.870 0.315 0.000 1.175 230 L CA 0.573 55.558 54.840 0.242 0.000 0.939 230 L CB -2.027 40.181 42.059 0.248 0.000 2.105 230 L HN 0.313 nan 8.230 nan 0.000 0.803 231 G N -0.549 108.343 108.800 0.153 0.000 3.262 231 G HA2 0.042 4.002 3.960 -0.000 0.000 0.222 231 G HA3 0.042 4.002 3.960 -0.000 0.000 0.222 231 G C 0.953 175.876 174.900 0.038 0.000 1.269 231 G CA 0.575 45.723 45.100 0.080 0.000 1.032 231 G HN 0.804 nan 8.290 nan 0.000 0.502 232 H N -2.151 116.799 119.070 -0.200 0.000 3.078 232 H HA 0.367 4.923 4.556 -0.000 0.000 0.263 232 H C 0.982 176.082 175.328 -0.381 0.000 1.177 232 H CA -0.590 55.241 56.048 -0.361 0.000 1.128 232 H CB -0.133 29.438 29.762 -0.319 0.000 1.623 232 H HN 0.404 nan 8.280 nan 0.000 0.592 233 I N -0.684 119.614 120.570 -0.452 0.000 3.882 233 I HA 0.030 4.200 4.170 -0.000 0.000 0.252 233 I C 0.913 176.799 176.117 -0.386 0.000 1.087 233 I CA -0.323 60.642 61.300 -0.559 0.000 1.764 233 I CB -0.153 37.365 38.000 -0.802 0.000 1.620 233 I HN -0.108 nan 8.210 nan 0.000 0.437 234 Y N 2.782 123.067 120.300 -0.024 0.000 2.688 234 Y HA 0.248 4.798 4.550 -0.000 0.000 0.311 234 Y C 1.316 177.215 175.900 -0.002 0.000 1.185 234 Y CA 0.504 58.635 58.100 0.052 0.000 1.336 234 Y CB -1.331 37.219 38.460 0.149 0.000 1.015 234 Y HN 0.383 nan 8.280 nan 0.000 0.522 235 G N 1.156 109.967 108.800 0.019 0.000 2.785 235 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.685 235 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.685 235 G C -0.108 174.792 174.900 0.000 0.000 1.480 235 G CA -0.151 44.935 45.100 -0.024 0.000 0.915 235 G HN 0.552 nan 8.290 nan 0.000 0.576 236 D N -0.436 119.941 120.400 -0.038 0.000 2.342 236 D HA 0.177 4.817 4.640 -0.000 0.000 0.221 236 D C 0.740 177.013 176.300 -0.045 0.000 1.101 236 D CA 0.393 54.369 54.000 -0.039 0.000 0.837 236 D CB 0.020 40.785 40.800 -0.060 0.000 0.938 236 D HN 0.754 nan 8.370 nan 0.000 0.508 237 N N 0.020 118.688 118.700 -0.053 0.000 2.329 237 N HA 0.069 4.809 4.740 -0.000 0.000 0.282 237 N C 0.124 175.564 175.510 -0.116 0.000 1.198 237 N CA -0.781 52.226 53.050 -0.071 0.000 0.790 237 N CB 1.801 40.250 38.487 -0.063 0.000 1.579 237 N HN -0.052 nan 8.380 nan 0.000 0.475 238 L N 1.280 122.400 121.223 -0.172 0.000 2.141 238 L HA -0.034 4.306 4.340 -0.000 0.000 0.209 238 L C 1.754 178.313 176.870 -0.518 0.000 1.094 238 L CA 2.008 56.626 54.840 -0.370 0.000 0.763 238 L CB -0.810 41.022 42.059 -0.377 0.000 0.908 238 L HN 0.646 nan 8.230 nan 0.000 0.437 239 E N -0.336 119.721 120.200 -0.239 0.000 2.017 239 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 239 E C 2.316 178.902 176.600 -0.023 0.000 0.997 239 E CA 1.457 57.809 56.400 -0.080 0.000 0.804 239 E CB -0.519 29.175 29.700 -0.010 0.000 0.757 239 E HN 0.352 nan 8.360 nan 0.000 0.448 240 R N 0.679 121.155 120.500 -0.039 0.000 2.154 240 R HA -0.274 4.066 4.340 -0.000 0.000 0.248 240 R C 2.371 178.679 176.300 0.013 0.000 1.155 240 R CA 1.934 58.026 56.100 -0.012 0.000 0.979 240 R CB -0.126 30.153 30.300 -0.036 0.000 0.869 240 R HN 0.327 nan 8.270 nan 0.000 0.452 241 Q N -0.481 119.301 119.800 -0.030 0.000 2.016 241 Q HA -0.195 4.145 4.340 -0.000 0.000 0.200 241 Q C 1.715 177.783 176.000 0.113 0.000 0.978 241 Q CA 1.656 57.466 55.803 0.012 0.000 0.833 241 Q CB -0.240 28.456 28.738 -0.070 0.000 0.895 241 Q HN 0.590 nan 8.270 nan 0.000 0.427 242 Y N -0.225 120.138 120.300 0.105 0.000 2.403 242 Y HA -0.229 4.321 4.550 -0.000 0.000 0.291 242 Y C 2.456 178.497 175.900 0.235 0.000 1.143 242 Y CA 0.284 58.568 58.100 0.306 0.000 1.257 242 Y CB 0.280 38.898 38.460 0.262 0.000 0.984 242 Y HN 0.287 nan 8.280 nan 0.000 0.550 243 Q N 0.222 120.171 119.800 0.248 0.000 2.137 243 Q HA -0.062 4.278 4.340 -0.000 0.000 0.198 243 Q C 2.064 178.139 176.000 0.125 0.000 0.960 243 Q CA 1.225 57.112 55.803 0.141 0.000 0.847 243 Q CB -0.203 28.578 28.738 0.073 0.000 0.915 243 Q HN 0.490 nan 8.270 nan 0.000 0.448 244 L N -0.456 120.832 121.223 0.109 0.000 2.307 244 L HA 0.086 4.426 4.340 -0.000 0.000 0.211 244 L C 0.562 177.482 176.870 0.084 0.000 1.099 244 L CA 0.147 55.034 54.840 0.077 0.000 0.816 244 L CB 0.009 42.093 42.059 0.041 0.000 0.952 244 L HN -0.082 nan 8.230 nan 0.000 0.455 245 R N 1.201 121.757 120.500 0.094 0.000 2.370 245 R HA 0.067 4.407 4.340 -0.000 0.000 0.309 245 R C 0.423 176.840 176.300 0.195 0.000 1.059 245 R CA -0.038 56.034 56.100 -0.047 0.000 0.981 245 R CB 0.715 30.763 30.300 -0.420 0.000 0.972 245 R HN 0.131 nan 8.270 nan 0.000 0.437 246 L N 4.842 126.129 121.223 0.107 0.000 2.737 246 L HA 0.155 4.495 4.340 -0.000 0.000 0.236 246 L C -0.331 176.696 176.870 0.262 0.000 1.219 246 L CA -0.129 54.840 54.840 0.215 0.000 1.021 246 L CB -0.109 42.058 42.059 0.180 0.000 1.291 246 L HN 0.627 nan 8.230 nan 0.000 0.470 247 F N 0.172 120.092 119.950 -0.049 0.000 2.708 247 F HA -0.299 4.228 4.527 -0.000 0.000 0.198 247 F C 0.907 176.703 175.800 -0.006 0.000 1.077 247 F CA 1.454 59.420 58.000 -0.057 0.000 0.766 247 F CB -2.114 36.826 39.000 -0.100 0.000 0.595 247 F HN 0.320 nan 8.300 nan 0.000 0.813 248 K N -0.413 120.066 120.400 0.132 0.000 2.553 248 K HA 0.537 4.857 4.320 -0.000 0.000 0.250 248 K C 0.327 176.999 176.600 0.120 0.000 0.953 248 K CA -0.323 56.038 56.287 0.123 0.000 0.800 248 K CB 0.918 33.492 32.500 0.123 0.000 1.243 248 K HN 0.119 nan 8.250 nan 0.000 0.435 249 D N 1.324 121.797 120.400 0.121 0.000 2.882 249 D HA -0.242 4.398 4.640 -0.000 0.000 0.229 249 D C 1.142 177.546 176.300 0.174 0.000 1.167 249 D CA 2.708 56.793 54.000 0.141 0.000 0.759 249 D CB -1.272 39.606 40.800 0.130 0.000 1.088 249 D HN 2.081 nan 8.370 nan 0.000 0.425 250 G N -0.422 108.474 108.800 0.161 0.000 2.270 250 G HA2 -0.434 3.526 3.960 -0.000 0.000 0.268 250 G HA3 -0.434 3.526 3.960 -0.000 0.000 0.268 250 G C 0.665 175.770 174.900 0.341 0.000 0.982 250 G CA 1.317 46.563 45.100 0.244 0.000 0.628 250 G HN 0.531 nan 8.290 nan 0.000 0.544 251 K N -0.833 119.711 120.400 0.240 0.000 2.181 251 K HA 0.506 4.826 4.320 -0.000 0.000 0.239 251 K C 0.040 176.685 176.600 0.074 0.000 1.073 251 K CA -0.155 56.255 56.287 0.204 0.000 0.839 251 K CB 0.267 32.852 32.500 0.142 0.000 1.116 251 K HN 0.098 nan 8.250 nan 0.000 0.518 252 L N 0.864 122.095 121.223 0.015 0.000 2.341 252 L HA 0.301 4.641 4.340 -0.000 0.000 0.267 252 L C -0.147 176.843 176.870 0.199 0.000 1.009 252 L CA -0.357 54.494 54.840 0.018 0.000 0.819 252 L CB 1.675 43.677 42.059 -0.095 0.000 1.323 252 L HN 0.419 nan 8.230 nan 0.000 0.425 253 K N 1.733 122.261 120.400 0.213 0.000 2.344 253 K HA 0.365 4.685 4.320 -0.000 0.000 0.260 253 K C -1.372 175.492 176.600 0.440 0.000 0.988 253 K CA 0.531 56.989 56.287 0.285 0.000 0.909 253 K CB 0.398 32.978 32.500 0.135 0.000 0.968 253 K HN 0.622 nan 8.250 nan 0.000 0.505 254 Y N -3.059 117.271 120.300 0.051 0.000 2.841 254 Y HA 0.138 4.688 4.550 -0.000 0.000 0.373 254 Y C -1.850 174.092 175.900 0.071 0.000 1.170 254 Y CA -1.511 56.629 58.100 0.066 0.000 1.196 254 Y CB 0.679 39.179 38.460 0.067 0.000 1.433 254 Y HN 0.563 nan 8.280 nan 0.000 0.479 255 Q N 2.344 122.191 119.800 0.079 0.000 2.351 255 Q HA 0.692 5.032 4.340 -0.000 0.000 0.273 255 Q C -1.170 174.907 176.000 0.129 0.000 1.077 255 Q CA -1.421 54.379 55.803 -0.005 0.000 0.843 255 Q CB 2.627 31.372 28.738 0.011 0.000 1.367 255 Q HN 0.617 nan 8.270 nan 0.000 0.449 256 M N 2.891 122.528 119.600 0.060 0.000 2.385 256 M HA 0.367 4.847 4.480 -0.000 0.000 0.346 256 M C -1.246 175.095 176.300 0.069 0.000 1.180 256 M CA -0.168 55.203 55.300 0.118 0.000 1.154 256 M CB -0.103 32.544 32.600 0.080 0.000 1.251 256 M HN 0.582 nan 8.290 nan 0.000 0.430 257 L N 3.825 125.088 121.223 0.067 0.000 2.257 257 L HA 0.415 4.755 4.340 -0.000 0.000 0.290 257 L C 0.630 177.502 176.870 0.003 0.000 1.044 257 L CA -0.339 54.465 54.840 -0.061 0.000 0.810 257 L CB 0.585 42.474 42.059 -0.284 0.000 1.193 257 L HN 0.698 nan 8.230 nan 0.000 0.425 258 N N 2.772 121.477 118.700 0.007 0.000 2.965 258 N HA -0.196 4.544 4.740 -0.000 0.000 0.232 258 N C 0.989 176.541 175.510 0.070 0.000 0.913 258 N CA 1.245 54.316 53.050 0.034 0.000 0.981 258 N CB -0.705 37.807 38.487 0.042 0.000 1.077 258 N HN 1.121 nan 8.380 nan 0.000 0.589 259 G N -1.455 107.399 108.800 0.091 0.000 2.179 259 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.220 259 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.220 259 G C -0.067 174.918 174.900 0.141 0.000 0.990 259 G CA 1.303 46.462 45.100 0.098 0.000 0.646 259 G HN 0.978 nan 8.290 nan 0.000 0.517 260 E N 0.293 120.621 120.200 0.213 0.000 2.277 260 E HA 0.749 5.099 4.350 -0.000 0.000 0.274 260 E C 0.150 176.967 176.600 0.362 0.000 1.022 260 E CA -0.045 56.523 56.400 0.280 0.000 0.853 260 E CB 1.894 31.868 29.700 0.457 0.000 1.086 260 E HN 1.075 nan 8.360 nan 0.000 0.397 261 V N 2.318 122.321 119.914 0.148 0.000 2.546 261 V HA 0.588 4.708 4.120 -0.000 0.000 0.284 261 V C -0.896 175.166 176.094 -0.053 0.000 1.050 261 V CA -0.195 62.212 62.300 0.179 0.000 0.981 261 V CB -0.251 31.611 31.823 0.064 0.000 0.990 261 V HN 0.811 nan 8.190 nan 0.000 0.474 262 Y N 3.577 123.968 120.300 0.152 0.000 2.677 262 Y HA 0.513 5.063 4.550 -0.000 0.000 0.334 262 Y C -2.524 173.456 175.900 0.133 0.000 1.154 262 Y CA -2.679 55.487 58.100 0.109 0.000 1.070 262 Y CB 1.732 40.237 38.460 0.075 0.000 1.294 262 Y HN 0.390 nan 8.280 nan 0.000 0.475 263 P HA 0.096 nan 4.420 nan 0.000 0.268 263 P C -2.587 174.819 177.300 0.177 0.000 1.205 263 P CA -0.912 62.300 63.100 0.186 0.000 0.771 263 P CB 0.082 31.870 31.700 0.146 0.000 0.858 264 P HA 0.012 nan 4.420 nan 0.000 0.272 264 P C -0.344 176.995 177.300 0.064 0.000 1.230 264 P CA 0.014 63.166 63.100 0.086 0.000 0.788 264 P CB 0.515 32.256 31.700 0.069 0.000 0.949 265 S N 0.383 116.098 115.700 0.025 0.000 2.632 265 S HA 0.123 4.593 4.470 -0.000 0.000 0.267 265 S C 1.513 176.116 174.600 0.005 0.000 1.276 265 S CA -0.737 57.465 58.200 0.003 0.000 0.998 265 S CB 0.067 63.241 63.200 -0.042 0.000 0.953 265 S HN 0.248 nan 8.310 nan 0.000 0.547 266 V N 1.019 120.934 119.914 0.001 0.000 2.720 266 V HA -0.067 4.053 4.120 -0.000 0.000 0.256 266 V C 2.737 178.822 176.094 -0.014 0.000 1.082 266 V CA 2.276 64.578 62.300 0.003 0.000 1.101 266 V CB -2.122 29.704 31.823 0.005 0.000 0.693 266 V HN 1.036 nan 8.190 nan 0.000 0.479 267 E N -0.071 120.111 120.200 -0.029 0.000 2.405 267 E HA -0.051 4.299 4.350 -0.000 0.000 0.194 267 E C 1.453 178.037 176.600 -0.028 0.000 1.149 267 E CA 0.986 57.366 56.400 -0.033 0.000 0.933 267 E CB -0.518 29.155 29.700 -0.044 0.000 1.028 267 E HN 0.820 nan 8.360 nan 0.000 0.487 268 E N -2.541 117.648 120.200 -0.017 0.000 2.145 268 E HA 0.265 4.615 4.350 -0.000 0.000 0.199 268 E C 0.131 176.732 176.600 0.003 0.000 1.006 268 E CA 0.659 57.050 56.400 -0.014 0.000 1.418 268 E CB 0.395 30.082 29.700 -0.022 0.000 3.464 268 E HN 0.449 nan 8.360 nan 0.000 1.000 269 A N 2.856 125.683 122.820 0.011 0.000 2.923 269 A HA 0.395 4.715 4.320 -0.000 0.000 0.343 269 A C -2.239 175.354 177.584 0.015 0.000 1.199 269 A CA -1.241 50.811 52.037 0.025 0.000 0.878 269 A CB 0.359 19.382 19.000 0.038 0.000 1.104 269 A HN 0.065 nan 8.150 nan 0.000 0.483 270 P HA -0.035 nan 4.420 nan 0.000 0.292 270 P C 0.064 177.363 177.300 -0.002 0.000 1.493 270 P CA 0.919 64.018 63.100 -0.001 0.000 0.786 270 P CB -0.211 31.486 31.700 -0.005 0.000 1.716 271 V N 1.531 121.445 119.914 -0.000 0.000 2.630 271 V HA 0.303 4.423 4.120 -0.000 0.000 0.305 271 V C 0.183 176.258 176.094 -0.031 0.000 1.046 271 V CA -1.430 60.861 62.300 -0.014 0.000 0.934 271 V CB 2.012 33.827 31.823 -0.013 0.000 1.003 271 V HN 0.024 nan 8.190 nan 0.000 0.451 272 L N 7.253 128.440 121.223 -0.059 0.000 2.483 272 L HA 0.371 4.711 4.340 -0.000 0.000 0.276 272 L C -0.160 176.619 176.870 -0.153 0.000 1.213 272 L CA 0.944 55.721 54.840 -0.106 0.000 0.843 272 L CB 0.307 42.290 42.059 -0.126 0.000 1.107 272 L HN 0.735 nan 8.230 nan 0.000 0.487 273 M N 2.643 122.113 119.600 -0.217 0.000 3.528 273 M HA 0.343 4.823 4.480 -0.000 0.000 0.379 273 M C -0.124 175.875 176.300 -0.502 0.000 1.684 273 M CA -0.398 54.748 55.300 -0.257 0.000 0.776 273 M CB 0.834 33.423 32.600 -0.019 0.000 2.539 273 M HN 0.665 nan 8.290 nan 0.000 0.445 274 H N -1.335 117.724 119.070 -0.018 0.000 3.334 274 H HA 0.230 4.786 4.556 -0.000 0.000 0.256 274 H C -1.048 174.323 175.328 0.072 0.000 1.162 274 H CA -0.136 55.923 56.048 0.019 0.000 1.030 274 H CB 0.298 30.059 29.762 -0.001 0.000 2.151 274 H HN 0.348 nan 8.280 nan 0.000 0.742 275 Y N 4.214 124.576 120.300 0.103 0.000 2.811 275 Y HA 0.005 4.555 4.550 -0.000 0.000 0.334 275 Y C -1.322 174.618 175.900 0.067 0.000 1.247 275 Y CA -0.746 57.403 58.100 0.081 0.000 1.526 275 Y CB 0.182 38.660 38.460 0.030 0.000 1.284 275 Y HN 0.154 nan 8.280 nan 0.000 0.586 276 P HA 0.058 nan 4.420 nan 0.000 0.271 276 P C -0.698 176.634 177.300 0.054 0.000 1.218 276 P CA -0.404 62.751 63.100 0.092 0.000 0.780 276 P CB 0.593 32.291 31.700 -0.004 0.000 0.901 277 R N 1.441 121.951 120.500 0.016 0.000 3.776 277 R HA 0.053 4.393 4.340 -0.000 0.000 0.171 277 R C 1.371 177.659 176.300 -0.020 0.000 1.697 277 R CA 0.512 56.610 56.100 -0.003 0.000 1.159 277 R CB -1.150 29.142 30.300 -0.013 0.000 1.238 277 R HN 0.699 nan 8.270 nan 0.000 0.656 278 G N 0.332 109.117 108.800 -0.025 0.000 2.443 278 G HA2 0.193 4.153 3.960 -0.000 0.000 0.188 278 G HA3 0.193 4.153 3.960 -0.000 0.000 0.188 278 G C 0.361 175.223 174.900 -0.064 0.000 1.654 278 G CA -0.294 44.780 45.100 -0.043 0.000 0.685 278 G HN 0.277 nan 8.290 nan 0.000 0.694 279 I N 2.160 122.671 120.570 -0.098 0.000 2.953 279 I HA 0.237 4.407 4.170 -0.000 0.000 0.325 279 I C -2.015 174.004 176.117 -0.164 0.000 1.421 279 I CA -1.235 59.995 61.300 -0.116 0.000 0.845 279 I CB 2.282 40.214 38.000 -0.115 0.000 2.186 279 I HN 0.061 nan 8.210 nan 0.000 0.604 280 P HA -0.172 nan 4.420 nan 0.000 0.220 280 P C -1.637 175.574 177.300 -0.148 0.000 1.144 280 P CA 1.466 64.475 63.100 -0.152 0.000 0.808 280 P CB -0.632 31.021 31.700 -0.079 0.000 0.763 281 P HA -0.036 nan 4.420 nan 0.000 0.215 281 P C 0.741 177.964 177.300 -0.130 0.000 1.173 281 P CA 0.993 64.029 63.100 -0.105 0.000 0.663 281 P CB -0.673 30.975 31.700 -0.086 0.000 0.720 282 Q N -0.523 119.205 119.800 -0.119 0.000 2.368 282 Q HA 0.454 4.794 4.340 -0.000 0.000 0.237 282 Q C 0.935 176.833 176.000 -0.169 0.000 0.987 282 Q CA 0.490 56.218 55.803 -0.125 0.000 0.896 282 Q CB -0.841 27.835 28.738 -0.102 0.000 1.241 282 Q HN 0.325 nan 8.270 nan 0.000 0.485 283 S N -1.120 114.481 115.700 -0.165 0.000 2.691 283 S HA -0.154 4.316 4.470 -0.000 0.000 0.262 283 S C 0.475 174.881 174.600 -0.323 0.000 1.284 283 S CA 1.244 59.333 58.200 -0.184 0.000 1.372 283 S CB -0.765 62.333 63.200 -0.170 0.000 1.693 283 S HN 0.848 nan 8.310 nan 0.000 0.647 284 Q N 0.803 120.352 119.800 -0.419 0.000 2.636 284 Q HA 0.476 4.816 4.340 -0.000 0.000 0.233 284 Q C -0.489 175.365 176.000 -0.243 0.000 1.143 284 Q CA 0.018 55.310 55.803 -0.851 0.000 0.969 284 Q CB 0.290 28.623 28.738 -0.675 0.000 1.185 284 Q HN 0.567 nan 8.270 nan 0.000 0.546 285 M N 0.949 120.621 119.600 0.119 0.000 2.255 285 M HA 0.439 4.919 4.480 -0.000 0.000 0.336 285 M C 0.115 176.581 176.300 0.276 0.000 1.135 285 M CA -0.282 55.154 55.300 0.227 0.000 1.145 285 M CB 1.299 34.028 32.600 0.214 0.000 1.473 285 M HN 0.360 nan 8.290 nan 0.000 0.462 286 A N 1.729 124.633 122.820 0.140 0.000 2.292 286 A HA 0.626 4.946 4.320 -0.000 0.000 0.319 286 A C 0.489 178.094 177.584 0.035 0.000 1.206 286 A CA -0.653 51.431 52.037 0.078 0.000 0.835 286 A CB 0.488 19.520 19.000 0.053 0.000 1.164 286 A HN 0.941 nan 8.150 nan 0.000 0.505 287 V N -0.756 119.140 119.914 -0.030 0.000 3.161 287 V HA 0.652 4.772 4.120 -0.000 0.000 0.228 287 V C 1.065 177.051 176.094 -0.180 0.000 1.415 287 V CA 0.976 63.223 62.300 -0.089 0.000 1.285 287 V CB -0.229 31.537 31.823 -0.095 0.000 1.100 287 V HN 2.127 nan 8.190 nan 0.000 0.478 288 G N -0.383 108.290 108.800 -0.212 0.000 2.421 288 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.188 288 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.188 288 G C 0.097 174.801 174.900 -0.326 0.000 1.001 288 G CA 0.292 45.255 45.100 -0.229 0.000 0.693 288 G HN 0.556 nan 8.290 nan 0.000 0.479 289 Q N 1.189 120.672 119.800 -0.528 0.000 2.523 289 Q HA 0.442 4.782 4.340 -0.000 0.000 0.251 289 Q C 1.204 176.963 176.000 -0.401 0.000 1.033 289 Q CA -0.140 55.260 55.803 -0.671 0.000 0.746 289 Q CB 1.263 28.998 28.738 -1.672 0.000 1.189 289 Q HN 0.557 nan 8.270 nan 0.000 0.508 290 E N 0.880 120.976 120.200 -0.172 0.000 2.233 290 E HA -0.239 4.111 4.350 -0.000 0.000 0.210 290 E C 1.348 178.003 176.600 0.092 0.000 1.046 290 E CA 1.672 58.046 56.400 -0.044 0.000 0.844 290 E CB -0.120 29.605 29.700 0.040 0.000 0.741 290 E HN 0.289 nan 8.360 nan 0.000 0.465 291 V N 0.066 120.067 119.914 0.145 0.000 3.461 291 V HA -0.044 4.076 4.120 -0.000 0.000 0.267 291 V C 0.590 176.760 176.094 0.125 0.000 1.186 291 V CA 0.438 62.824 62.300 0.144 0.000 1.154 291 V CB -0.392 31.502 31.823 0.120 0.000 0.802 291 V HN 0.196 nan 8.190 nan 0.000 0.474 292 F N 0.959 120.768 119.950 -0.234 0.000 2.722 292 F HA 0.135 4.662 4.527 -0.000 0.000 0.298 292 F C 2.044 177.634 175.800 -0.349 0.000 1.175 292 F CA 0.530 58.348 58.000 -0.303 0.000 1.462 292 F CB -1.146 37.673 39.000 -0.302 0.000 1.111 292 F HN 0.250 nan 8.300 nan 0.000 0.592 293 G N -0.342 108.274 108.800 -0.306 0.000 2.459 293 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.213 293 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.213 293 G C 1.782 176.481 174.900 -0.335 0.000 1.155 293 G CA 0.029 44.777 45.100 -0.587 0.000 0.811 293 G HN 0.311 nan 8.290 nan 0.000 0.534 294 L N -0.670 120.384 121.223 -0.282 0.000 2.137 294 L HA -0.033 4.307 4.340 -0.000 0.000 0.213 294 L C 0.246 176.836 176.870 -0.467 0.000 1.085 294 L CA 0.654 55.315 54.840 -0.297 0.000 0.760 294 L CB -0.479 41.416 42.059 -0.273 0.000 0.893 294 L HN 0.111 nan 8.230 nan 0.000 0.434 295 L N -2.668 118.277 121.223 -0.465 0.000 2.408 295 L HA 0.340 4.680 4.340 -0.000 0.000 0.268 295 L C -1.837 174.678 176.870 -0.591 0.000 0.986 295 L CA -1.330 53.159 54.840 -0.584 0.000 0.820 295 L CB 1.106 42.861 42.059 -0.506 0.000 1.303 295 L HN -0.379 nan 8.230 nan 0.000 0.411 296 P HA -0.122 nan 4.420 nan 0.000 0.218 296 P C 1.415 178.450 177.300 -0.443 0.000 1.148 296 P CA 1.298 64.113 63.100 -0.475 0.000 0.822 296 P CB 0.334 31.736 31.700 -0.497 0.000 0.784 297 G N -0.442 107.875 108.800 -0.806 0.000 2.421 297 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 297 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 297 G C 1.290 175.762 174.900 -0.713 0.000 1.171 297 G CA 0.672 45.003 45.100 -1.282 0.000 0.775 297 G HN 0.162 nan 8.290 nan 0.000 0.543 298 L N -0.309 120.484 121.223 -0.717 0.000 2.027 298 L HA 0.087 4.427 4.340 -0.000 0.000 0.206 298 L C 2.725 179.361 176.870 -0.390 0.000 1.074 298 L CA 1.479 55.902 54.840 -0.695 0.000 0.745 298 L CB -0.667 40.658 42.059 -1.222 0.000 0.898 298 L HN 0.178 nan 8.230 nan 0.000 0.433 299 M N -0.742 118.681 119.600 -0.295 0.000 2.149 299 M HA -0.183 4.297 4.480 -0.000 0.000 0.261 299 M C 2.047 178.318 176.300 -0.050 0.000 1.064 299 M CA 1.580 56.824 55.300 -0.093 0.000 1.102 299 M CB -0.600 31.960 32.600 -0.066 0.000 1.369 299 M HN 0.209 nan 8.290 nan 0.000 0.408 300 L N -0.571 120.574 121.223 -0.131 0.000 1.971 300 L HA -0.231 4.109 4.340 -0.000 0.000 0.215 300 L C 1.974 178.764 176.870 -0.133 0.000 1.072 300 L CA 2.136 56.894 54.840 -0.138 0.000 0.758 300 L CB -1.491 40.428 42.059 -0.235 0.000 0.889 300 L HN 0.380 nan 8.230 nan 0.000 0.433 301 Y N 0.042 120.340 120.300 -0.003 0.000 2.128 301 Y HA -0.201 4.349 4.550 -0.000 0.000 0.284 301 Y C 2.601 178.650 175.900 0.248 0.000 1.154 301 Y CA 1.662 59.837 58.100 0.125 0.000 1.149 301 Y CB -1.207 37.486 38.460 0.390 0.000 0.976 301 Y HN 0.351 nan 8.280 nan 0.000 0.505 302 A N -0.641 122.404 122.820 0.375 0.000 1.948 302 A HA -0.248 4.072 4.320 -0.000 0.000 0.220 302 A C 2.292 179.987 177.584 0.186 0.000 1.177 302 A CA 2.452 54.669 52.037 0.299 0.000 0.636 302 A CB -1.248 17.859 19.000 0.178 0.000 0.815 302 A HN 0.467 nan 8.150 nan 0.000 0.449 303 T N 0.284 114.890 114.554 0.087 0.000 2.737 303 T HA -0.083 4.267 4.350 -0.000 0.000 0.265 303 T C 1.808 176.485 174.700 -0.039 0.000 1.038 303 T CA 1.486 63.577 62.100 -0.015 0.000 1.144 303 T CB -0.427 68.368 68.868 -0.123 0.000 0.866 303 T HN 0.460 nan 8.240 nan 0.000 0.434 304 I N -0.666 119.869 120.570 -0.058 0.000 2.163 304 I HA -0.201 3.969 4.170 -0.000 0.000 0.243 304 I C 2.332 178.390 176.117 -0.099 0.000 1.085 304 I CA 1.563 62.777 61.300 -0.144 0.000 1.347 304 I CB -0.382 37.468 38.000 -0.251 0.000 1.044 304 I HN 0.327 nan 8.210 nan 0.000 0.408 305 W N 0.655 121.998 121.300 0.071 0.000 2.378 305 W HA -0.161 4.499 4.660 -0.000 0.000 0.313 305 W C 2.558 179.095 176.519 0.031 0.000 1.197 305 W CA 0.576 57.954 57.345 0.054 0.000 1.304 305 W CB -0.397 29.081 29.460 0.029 0.000 1.148 305 W HN 0.077 nan 8.180 nan 0.000 0.494 306 L N 0.806 122.163 121.223 0.223 0.000 2.042 306 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 306 L C 2.658 179.572 176.870 0.073 0.000 1.076 306 L CA 1.787 56.685 54.840 0.097 0.000 0.749 306 L CB -0.404 41.677 42.059 0.037 0.000 0.893 306 L HN -0.027 nan 8.230 nan 0.000 0.432 307 R N -0.610 119.906 120.500 0.027 0.000 2.237 307 R HA -0.213 4.127 4.340 -0.000 0.000 0.219 307 R C 2.079 178.397 176.300 0.029 0.000 1.080 307 R CA 1.319 57.404 56.100 -0.026 0.000 0.995 307 R CB 0.032 30.283 30.300 -0.081 0.000 0.875 307 R HN 0.474 nan 8.270 nan 0.000 0.462 308 E N -0.604 119.656 120.200 0.100 0.000 2.042 308 E HA -0.195 4.155 4.350 -0.000 0.000 0.189 308 E C 1.662 178.395 176.600 0.222 0.000 0.974 308 E CA 1.770 58.255 56.400 0.142 0.000 0.806 308 E CB -0.328 29.482 29.700 0.182 0.000 0.769 308 E HN 0.546 nan 8.360 nan 0.000 0.451 309 H N -0.203 118.979 119.070 0.187 0.000 2.265 309 H HA -0.138 4.418 4.556 -0.000 0.000 0.295 309 H C 1.724 177.134 175.328 0.138 0.000 1.084 309 H CA 2.271 58.438 56.048 0.198 0.000 1.261 309 H CB -0.210 29.697 29.762 0.241 0.000 1.360 309 H HN 0.170 nan 8.280 nan 0.000 0.487 310 N N -0.138 118.813 118.700 0.418 0.000 2.272 310 N HA -0.157 4.583 4.740 -0.000 0.000 0.185 310 N C 1.935 177.524 175.510 0.133 0.000 1.014 310 N CA 1.166 54.361 53.050 0.242 0.000 0.870 310 N CB -0.231 38.247 38.487 -0.015 0.000 0.975 310 N HN 0.386 nan 8.380 nan 0.000 0.433 311 R N 0.169 120.733 120.500 0.107 0.000 2.090 311 R HA 0.021 4.361 4.340 -0.000 0.000 0.228 311 R C 1.435 177.776 176.300 0.069 0.000 1.110 311 R CA 0.800 56.939 56.100 0.066 0.000 0.973 311 R CB -0.075 30.256 30.300 0.052 0.000 0.869 311 R HN 0.036 nan 8.270 nan 0.000 0.440 312 V N 0.333 120.292 119.914 0.075 0.000 2.427 312 V HA -0.280 3.840 4.120 -0.000 0.000 0.248 312 V C 2.471 178.591 176.094 0.044 0.000 1.051 312 V CA 1.502 63.830 62.300 0.046 0.000 1.048 312 V CB -0.386 31.442 31.823 0.009 0.000 0.666 312 V HN 0.513 nan 8.190 nan 0.000 0.456 313 C N 0.159 119.499 119.300 0.067 0.000 2.413 313 C HA -0.173 4.287 4.460 -0.000 0.000 0.276 313 C C 2.526 177.572 174.990 0.094 0.000 1.236 313 C CA 0.943 60.026 59.018 0.109 0.000 1.735 313 C CB -1.052 26.805 27.740 0.194 0.000 2.031 313 C HN 0.600 nan 8.230 nan 0.000 0.474 314 D N 0.982 121.429 120.400 0.079 0.000 2.106 314 D HA -0.128 4.512 4.640 -0.000 0.000 0.191 314 D C 2.047 178.371 176.300 0.039 0.000 0.997 314 D CA 1.182 55.217 54.000 0.058 0.000 0.834 314 D CB -0.642 40.185 40.800 0.046 0.000 0.956 314 D HN 0.433 nan 8.370 nan 0.000 0.448 315 L N 0.251 121.494 121.223 0.033 0.000 2.013 315 L HA -0.210 4.130 4.340 -0.000 0.000 0.212 315 L C 2.664 179.534 176.870 0.001 0.000 1.073 315 L CA 0.910 55.760 54.840 0.016 0.000 0.753 315 L CB -0.512 41.561 42.059 0.023 0.000 0.890 315 L HN 0.067 nan 8.230 nan 0.000 0.432 316 L N 0.105 121.336 121.223 0.014 0.000 1.989 316 L HA -0.256 4.084 4.340 -0.000 0.000 0.211 316 L C 3.212 180.055 176.870 -0.045 0.000 1.071 316 L CA 1.955 56.782 54.840 -0.021 0.000 0.749 316 L CB -1.083 40.985 42.059 0.016 0.000 0.890 316 L HN 0.260 nan 8.230 nan 0.000 0.431 317 K N 0.381 120.791 120.400 0.018 0.000 2.286 317 K HA -0.103 4.216 4.320 -0.000 0.000 0.203 317 K C 2.079 178.666 176.600 -0.020 0.000 1.045 317 K CA 1.692 57.996 56.287 0.030 0.000 0.935 317 K CB -1.200 31.341 32.500 0.069 0.000 0.737 317 K HN 0.520 nan 8.250 nan 0.000 0.460 318 A N 0.216 123.012 122.820 -0.040 0.000 1.975 318 A HA 0.098 4.418 4.320 -0.000 0.000 0.215 318 A C 2.216 179.721 177.584 -0.132 0.000 1.170 318 A CA 1.613 53.614 52.037 -0.061 0.000 0.656 318 A CB 0.007 18.982 19.000 -0.042 0.000 0.821 318 A HN 0.568 nan 8.150 nan 0.000 0.449 319 E N -0.202 119.880 120.200 -0.197 0.000 2.086 319 E HA -0.019 4.331 4.350 -0.000 0.000 0.190 319 E C -0.179 175.999 176.600 -0.704 0.000 0.975 319 E CA 0.842 56.991 56.400 -0.418 0.000 0.813 319 E CB -0.015 29.423 29.700 -0.437 0.000 0.768 319 E HN 0.711 nan 8.360 nan 0.000 0.457 320 H N -0.253 118.502 119.070 -0.525 0.000 2.340 320 H HA 0.208 4.764 4.556 -0.000 0.000 0.233 320 H C -1.927 173.218 175.328 -0.305 0.000 1.435 320 H CA -1.829 53.818 56.048 -0.668 0.000 1.389 320 H CB 1.041 29.629 29.762 -1.956 0.000 1.491 320 H HN 0.136 nan 8.280 nan 0.000 0.518 321 P HA -0.192 nan 4.420 nan 0.000 0.222 321 P C 1.529 178.887 177.300 0.097 0.000 1.147 321 P CA 1.362 64.474 63.100 0.019 0.000 0.790 321 P CB 0.333 32.030 31.700 -0.005 0.000 0.780 322 T N -5.836 108.796 114.554 0.130 0.000 3.088 322 T HA -0.035 4.315 4.350 -0.000 0.000 0.259 322 T C 0.626 175.510 174.700 0.306 0.000 1.122 322 T CA -0.389 61.821 62.100 0.184 0.000 1.095 322 T CB -0.692 68.279 68.868 0.172 0.000 0.930 322 T HN -0.152 nan 8.240 nan 0.000 0.508 323 W N 1.936 123.283 121.300 0.078 0.000 2.073 323 W HA 0.543 5.203 4.660 0.000 0.000 0.358 323 W C 1.290 177.833 176.519 0.039 0.000 1.321 323 W CA 0.094 57.470 57.345 0.051 0.000 1.317 323 W CB -0.228 29.262 29.460 0.049 0.000 1.226 323 W HN 0.304 nan 8.180 nan 0.000 0.622 324 G N -0.026 108.877 108.800 0.171 0.000 2.828 324 G HA2 0.211 4.171 3.960 -0.000 0.000 0.244 324 G HA3 0.211 4.171 3.960 -0.000 0.000 0.244 324 G C -0.156 174.807 174.900 0.106 0.000 1.365 324 G CA 0.117 45.276 45.100 0.099 0.000 1.041 324 G HN 0.427 nan 8.290 nan 0.000 0.560 325 D N -1.547 118.895 120.400 0.070 0.000 2.149 325 D HA -0.050 4.590 4.640 -0.000 0.000 0.206 325 D C 2.031 178.359 176.300 0.047 0.000 0.967 325 D CA 0.841 54.882 54.000 0.068 0.000 0.848 325 D CB 0.161 40.986 40.800 0.042 0.000 0.998 325 D HN 0.208 nan 8.370 nan 0.000 0.474 326 E N 0.532 120.733 120.200 0.002 0.000 2.048 326 E HA -0.283 4.067 4.350 -0.000 0.000 0.202 326 E C 1.899 178.496 176.600 -0.006 0.000 1.021 326 E CA 1.128 57.532 56.400 0.006 0.000 0.825 326 E CB -0.554 29.132 29.700 -0.024 0.000 0.756 326 E HN 0.517 nan 8.360 nan 0.000 0.454 327 Q N 0.372 120.085 119.800 -0.145 0.000 1.856 327 Q HA -0.165 4.175 4.340 -0.000 0.000 0.233 327 Q C 2.512 178.419 176.000 -0.155 0.000 0.995 327 Q CA 1.864 57.457 55.803 -0.349 0.000 0.877 327 Q CB -0.475 27.791 28.738 -0.786 0.000 0.937 327 Q HN 0.244 nan 8.270 nan 0.000 0.423 328 L N -0.067 121.189 121.223 0.056 0.000 2.195 328 L HA -0.312 4.028 4.340 -0.000 0.000 0.225 328 L C 2.442 179.413 176.870 0.169 0.000 1.096 328 L CA 1.993 56.997 54.840 0.274 0.000 0.814 328 L CB -0.726 41.511 42.059 0.297 0.000 0.901 328 L HN 0.429 nan 8.230 nan 0.000 0.446 329 F N 0.490 120.443 119.950 0.006 0.000 2.009 329 F HA -0.216 4.311 4.527 -0.000 0.000 0.293 329 F C 2.756 178.497 175.800 -0.098 0.000 1.156 329 F CA 1.610 59.614 58.000 0.006 0.000 1.168 329 F CB -0.598 38.376 39.000 -0.044 0.000 0.981 329 F HN 0.014 nan 8.300 nan 0.000 0.475 330 Q N 0.162 119.777 119.800 -0.307 0.000 2.118 330 Q HA -0.223 4.117 4.340 -0.000 0.000 0.211 330 Q C 2.203 177.968 176.000 -0.393 0.000 0.998 330 Q CA 2.560 58.103 55.803 -0.433 0.000 0.872 330 Q CB -1.658 26.927 28.738 -0.256 0.000 0.925 330 Q HN 0.462 nan 8.270 nan 0.000 0.414 331 T N 1.149 115.543 114.554 -0.267 0.000 2.803 331 T HA -0.096 4.254 4.350 -0.000 0.000 0.269 331 T C 1.787 176.405 174.700 -0.138 0.000 1.052 331 T CA 1.409 63.410 62.100 -0.165 0.000 1.136 331 T CB -0.207 68.696 68.868 0.058 0.000 0.864 331 T HN 0.468 nan 8.240 nan 0.000 0.467 332 A N 1.211 123.893 122.820 -0.230 0.000 1.970 332 A HA 0.050 4.370 4.320 -0.000 0.000 0.216 332 A C 2.269 179.654 177.584 -0.330 0.000 1.170 332 A CA 1.206 53.064 52.037 -0.300 0.000 0.645 332 A CB -0.445 18.211 19.000 -0.574 0.000 0.816 332 A HN 0.383 nan 8.150 nan 0.000 0.447 333 R N -0.284 119.901 120.500 -0.525 0.000 2.092 333 R HA -0.021 4.319 4.340 -0.000 0.000 0.231 333 R C 1.837 178.020 176.300 -0.196 0.000 1.119 333 R CA 1.296 57.087 56.100 -0.514 0.000 0.970 333 R CB -0.342 29.390 30.300 -0.946 0.000 0.864 333 R HN 0.523 nan 8.270 nan 0.000 0.440 334 L N 0.276 121.390 121.223 -0.181 0.000 2.056 334 L HA -0.149 4.191 4.340 -0.000 0.000 0.207 334 L C 2.345 179.359 176.870 0.241 0.000 1.078 334 L CA 1.137 55.950 54.840 -0.045 0.000 0.749 334 L CB -0.327 41.560 42.059 -0.286 0.000 0.901 334 L HN 0.242 nan 8.230 nan 0.000 0.433 335 I N -0.194 120.527 120.570 0.251 0.000 2.530 335 I HA -0.290 3.880 4.170 -0.000 0.000 0.257 335 I C 2.175 178.426 176.117 0.224 0.000 1.179 335 I CA 1.202 62.691 61.300 0.314 0.000 1.440 335 I CB -0.117 38.002 38.000 0.197 0.000 1.087 335 I HN 0.304 nan 8.210 nan 0.000 0.440 336 L N -0.194 121.127 121.223 0.164 0.000 2.354 336 L HA 0.003 4.343 4.340 -0.000 0.000 0.212 336 L C 2.344 179.270 176.870 0.092 0.000 1.091 336 L CA 0.700 55.631 54.840 0.151 0.000 0.828 336 L CB -0.147 41.994 42.059 0.137 0.000 0.973 336 L HN 0.185 nan 8.230 nan 0.000 0.461 337 I N -0.002 120.647 120.570 0.132 0.000 2.439 337 I HA -0.129 4.041 4.170 -0.000 0.000 0.251 337 I C 2.479 178.712 176.117 0.193 0.000 1.139 337 I CA 1.131 62.513 61.300 0.136 0.000 1.438 337 I CB -0.542 37.547 38.000 0.149 0.000 1.085 337 I HN 0.217 nan 8.210 nan 0.000 0.427 338 G N 0.399 109.375 108.800 0.293 0.000 2.547 338 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.214 338 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.214 338 G C 1.399 176.421 174.900 0.203 0.000 1.254 338 G CA 0.286 45.588 45.100 0.337 0.000 0.817 338 G HN 0.304 nan 8.290 nan 0.000 0.551 339 E N -0.162 120.174 120.200 0.227 0.000 2.236 339 E HA -0.192 4.158 4.350 -0.000 0.000 0.205 339 E C 2.668 179.420 176.600 0.253 0.000 1.028 339 E CA 1.665 58.212 56.400 0.245 0.000 0.827 339 E CB -0.135 29.760 29.700 0.324 0.000 0.735 339 E HN 0.415 nan 8.360 nan 0.000 0.470 340 T N 0.792 115.467 114.554 0.201 0.000 2.732 340 T HA -0.061 4.289 4.350 -0.000 0.000 0.261 340 T C 1.966 176.693 174.700 0.043 0.000 1.040 340 T CA 0.743 62.956 62.100 0.188 0.000 1.145 340 T CB -0.169 68.734 68.868 0.057 0.000 0.866 340 T HN 0.128 nan 8.240 nan 0.000 0.427 341 I N 1.142 121.676 120.570 -0.060 0.000 2.423 341 I HA -0.210 3.960 4.170 -0.000 0.000 0.254 341 I C 2.512 178.303 176.117 -0.543 0.000 1.151 341 I CA 1.136 62.266 61.300 -0.284 0.000 1.421 341 I CB -0.270 37.502 38.000 -0.380 0.000 1.079 341 I HN 0.165 nan 8.210 nan 0.000 0.431 342 K N 1.939 122.086 120.400 -0.421 0.000 1.973 342 K HA -0.100 4.220 4.320 -0.000 0.000 0.210 342 K C 1.879 178.450 176.600 -0.049 0.000 1.045 342 K CA 1.695 57.843 56.287 -0.233 0.000 0.937 342 K CB -0.415 32.131 32.500 0.077 0.000 0.721 342 K HN 0.180 nan 8.250 nan 0.000 0.438 343 I N 0.415 120.999 120.570 0.023 0.000 2.163 343 I HA -0.269 3.901 4.170 -0.000 0.000 0.243 343 I C 2.173 178.280 176.117 -0.017 0.000 1.085 343 I CA 1.057 62.371 61.300 0.023 0.000 1.347 343 I CB -0.356 37.710 38.000 0.110 0.000 1.044 343 I HN -0.013 nan 8.210 nan 0.000 0.408 344 V N 1.108 120.974 119.914 -0.080 0.000 2.324 344 V HA -0.301 3.819 4.120 -0.000 0.000 0.250 344 V C 2.244 178.361 176.094 0.039 0.000 1.060 344 V CA 1.978 64.155 62.300 -0.205 0.000 1.042 344 V CB -0.288 31.235 31.823 -0.500 0.000 0.650 344 V HN 0.336 nan 8.190 nan 0.000 0.450 345 I N -0.691 119.891 120.570 0.019 0.000 2.270 345 I HA -0.117 4.053 4.170 -0.000 0.000 0.239 345 I C 2.368 178.560 176.117 0.125 0.000 1.080 345 I CA 1.203 62.566 61.300 0.105 0.000 1.383 345 I CB -0.293 37.766 38.000 0.098 0.000 1.097 345 I HN 0.308 nan 8.210 nan 0.000 0.420 346 E N 0.263 120.523 120.200 0.101 0.000 2.478 346 E HA -0.144 4.206 4.350 -0.000 0.000 0.198 346 E C 1.239 177.865 176.600 0.043 0.000 1.046 346 E CA 0.737 57.186 56.400 0.082 0.000 0.870 346 E CB 0.240 29.994 29.700 0.091 0.000 0.818 346 E HN 0.580 nan 8.360 nan 0.000 0.527 347 E N -0.957 119.273 120.200 0.051 0.000 2.940 347 E HA -0.011 4.339 4.350 -0.000 0.000 0.203 347 E C 1.419 178.157 176.600 0.230 0.000 0.995 347 E CA -0.187 56.215 56.400 0.003 0.000 1.396 347 E CB -0.100 29.459 29.700 -0.234 0.000 1.310 347 E HN 0.079 nan 8.360 nan 0.000 0.613 348 Y N 2.020 122.468 120.300 0.246 0.000 2.070 348 Y HA -0.252 4.298 4.550 -0.000 0.000 0.280 348 Y C 2.076 178.164 175.900 0.313 0.000 1.148 348 Y CA 1.784 60.181 58.100 0.495 0.000 1.125 348 Y CB -0.173 38.382 38.460 0.157 0.000 0.975 348 Y HN -0.169 nan 8.280 nan 0.000 0.492 349 V N 0.485 120.635 119.914 0.392 0.000 2.667 349 V HA -0.235 3.885 4.120 -0.000 0.000 0.252 349 V C 2.230 178.329 176.094 0.008 0.000 1.065 349 V CA 1.781 64.198 62.300 0.195 0.000 1.083 349 V CB -0.770 31.205 31.823 0.254 0.000 0.692 349 V HN 0.383 nan 8.190 nan 0.000 0.468 350 Q N 0.999 120.820 119.800 0.036 0.000 2.096 350 Q HA -0.272 4.068 4.340 -0.000 0.000 0.204 350 Q C 2.201 178.128 176.000 -0.122 0.000 0.982 350 Q CA 2.433 58.210 55.803 -0.044 0.000 0.850 350 Q CB -0.435 28.296 28.738 -0.013 0.000 0.901 350 Q HN 0.692 nan 8.270 nan 0.000 0.422 351 Q N -0.673 119.073 119.800 -0.089 0.000 2.123 351 Q HA -0.068 4.272 4.340 -0.000 0.000 0.199 351 Q C 1.796 177.592 176.000 -0.340 0.000 0.966 351 Q CA 1.314 57.011 55.803 -0.177 0.000 0.845 351 Q CB -0.494 28.210 28.738 -0.057 0.000 0.907 351 Q HN 0.458 nan 8.270 nan 0.000 0.439 352 L N 0.361 121.361 121.223 -0.372 0.000 2.093 352 L HA -0.061 4.279 4.340 -0.000 0.000 0.208 352 L C 2.308 178.911 176.870 -0.445 0.000 1.085 352 L CA 1.989 56.543 54.840 -0.477 0.000 0.755 352 L CB -0.819 41.033 42.059 -0.346 0.000 0.904 352 L HN 0.456 nan 8.230 nan 0.000 0.435 353 S N -0.594 114.859 115.700 -0.411 0.000 2.345 353 S HA 0.028 4.498 4.470 -0.000 0.000 0.220 353 S C 1.758 176.098 174.600 -0.434 0.000 1.031 353 S CA 0.950 58.773 58.200 -0.628 0.000 0.996 353 S CB -0.848 61.740 63.200 -1.020 0.000 0.882 353 S HN 0.836 nan 8.310 nan 0.000 0.445 354 G N -0.125 108.507 108.800 -0.281 0.000 2.132 354 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.234 354 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.234 354 G C 0.009 174.955 174.900 0.077 0.000 0.989 354 G CA 0.206 45.227 45.100 -0.131 0.000 0.676 354 G HN 0.656 nan 8.290 nan 0.000 0.522 355 Y N -0.979 119.238 120.300 -0.138 0.000 2.336 355 Y HA 0.436 4.986 4.550 -0.000 0.000 0.331 355 Y C 1.559 177.342 175.900 -0.196 0.000 1.211 355 Y CA -0.624 57.376 58.100 -0.166 0.000 1.346 355 Y CB 0.556 38.888 38.460 -0.214 0.000 1.271 355 Y HN 0.047 nan 8.280 nan 0.000 0.538 356 F N 0.993 120.613 119.950 -0.551 0.000 2.698 356 F HA 0.032 4.559 4.527 -0.000 0.000 0.295 356 F C 0.598 176.024 175.800 -0.623 0.000 1.124 356 F CA -0.419 57.255 58.000 -0.542 0.000 1.426 356 F CB 0.456 39.108 39.000 -0.580 0.000 1.120 356 F HN 0.281 nan 8.300 nan 0.000 0.583 357 L N 1.970 122.725 121.223 -0.780 0.000 2.418 357 L HA 0.108 4.448 4.340 -0.000 0.000 0.274 357 L C 0.339 177.099 176.870 -0.182 0.000 1.135 357 L CA -0.109 54.385 54.840 -0.578 0.000 0.870 357 L CB 0.343 41.956 42.059 -0.744 0.000 1.154 357 L HN 0.108 nan 8.230 nan 0.000 0.462 358 Q N 5.086 124.843 119.800 -0.071 0.000 2.323 358 Q HA 0.311 4.651 4.340 -0.000 0.000 0.257 358 Q C -0.749 175.254 176.000 0.005 0.000 1.022 358 Q CA -0.415 55.373 55.803 -0.026 0.000 0.919 358 Q CB 0.431 29.165 28.738 -0.006 0.000 1.220 358 Q HN 0.796 nan 8.270 nan 0.000 0.427 359 L N 3.451 124.691 121.223 0.027 0.000 2.492 359 L HA 0.160 4.500 4.340 -0.000 0.000 0.280 359 L C 0.192 177.101 176.870 0.065 0.000 1.240 359 L CA 0.519 55.395 54.840 0.060 0.000 0.831 359 L CB 0.169 42.278 42.059 0.082 0.000 1.100 359 L HN 0.636 nan 8.230 nan 0.000 0.505 360 K N 1.620 122.069 120.400 0.081 0.000 2.523 360 K HA 0.351 4.671 4.320 -0.000 0.000 0.257 360 K C -1.809 174.874 176.600 0.138 0.000 0.932 360 K CA -0.679 55.663 56.287 0.090 0.000 0.812 360 K CB 1.897 34.418 32.500 0.036 0.000 1.326 360 K HN 0.317 nan 8.250 nan 0.000 0.433 361 F N 3.954 123.915 119.950 0.019 0.000 2.332 361 F HA 0.420 4.947 4.527 -0.000 0.000 0.368 361 F C -1.285 174.516 175.800 0.002 0.000 1.110 361 F CA -0.621 57.386 58.000 0.010 0.000 1.087 361 F CB 0.981 40.008 39.000 0.044 0.000 1.235 361 F HN 0.603 nan 8.300 nan 0.000 0.470 362 D N 7.917 127.907 120.400 -0.683 0.000 2.354 362 D HA 0.343 4.983 4.640 -0.000 0.000 0.230 362 D C -2.387 173.504 176.300 -0.681 0.000 1.361 362 D CA -1.727 51.880 54.000 -0.656 0.000 0.992 362 D CB 1.988 42.608 40.800 -0.299 0.000 1.409 362 D HN 0.172 nan 8.370 nan 0.000 0.573 363 P HA -0.152 nan 4.420 nan 0.000 0.217 363 P C 0.742 177.569 177.300 -0.789 0.000 1.148 363 P CA 1.043 63.676 63.100 -0.780 0.000 0.834 363 P CB 0.290 31.251 31.700 -1.232 0.000 0.783 364 E N -0.744 118.882 120.200 -0.957 0.000 2.265 364 E HA -0.135 4.215 4.350 -0.000 0.000 0.196 364 E C 1.801 178.010 176.600 -0.652 0.000 0.996 364 E CA 0.557 56.171 56.400 -1.309 0.000 0.832 364 E CB -0.585 28.694 29.700 -0.701 0.000 0.756 364 E HN 0.319 nan 8.360 nan 0.000 0.491 365 L N 0.301 121.285 121.223 -0.398 0.000 2.187 365 L HA -0.181 4.159 4.340 -0.000 0.000 0.213 365 L C 2.014 178.798 176.870 -0.143 0.000 1.100 365 L CA 0.900 55.613 54.840 -0.212 0.000 0.765 365 L CB -0.126 41.827 42.059 -0.176 0.000 0.904 365 L HN 0.195 nan 8.230 nan 0.000 0.437 366 L N -2.046 119.099 121.223 -0.131 0.000 2.640 366 L HA 0.060 4.400 4.340 -0.000 0.000 0.230 366 L C 1.859 178.880 176.870 0.252 0.000 1.123 366 L CA -0.089 54.740 54.840 -0.018 0.000 0.900 366 L CB -0.129 41.835 42.059 -0.159 0.000 1.146 366 L HN 0.193 nan 8.230 nan 0.000 0.484 367 F N 0.373 120.349 119.950 0.044 0.000 2.408 367 F HA -0.133 4.394 4.527 -0.000 0.000 0.300 367 F C 2.191 178.033 175.800 0.070 0.000 1.090 367 F CA 0.589 58.643 58.000 0.090 0.000 1.427 367 F CB 0.020 39.072 39.000 0.088 0.000 1.070 367 F HN 0.229 nan 8.300 nan 0.000 0.549 368 G N -0.441 108.492 108.800 0.223 0.000 2.719 368 G HA2 0.292 4.252 3.960 -0.000 0.000 0.211 368 G HA3 0.292 4.252 3.960 -0.000 0.000 0.211 368 G C 0.707 175.661 174.900 0.089 0.000 1.140 368 G CA 0.464 45.641 45.100 0.129 0.000 0.790 368 G HN 0.288 nan 8.290 nan 0.000 0.529 369 A N -0.110 122.760 122.820 0.084 0.000 2.267 369 A HA 0.616 4.936 4.320 -0.000 0.000 0.271 369 A C 0.093 177.726 177.584 0.081 0.000 1.131 369 A CA -0.305 51.766 52.037 0.055 0.000 0.818 369 A CB 0.303 19.309 19.000 0.010 0.000 1.118 369 A HN 0.273 nan 8.150 nan 0.000 0.501 370 Q N -0.166 119.678 119.800 0.073 0.000 2.509 370 Q HA 0.444 4.784 4.340 -0.000 0.000 0.236 370 Q C -1.829 174.245 176.000 0.123 0.000 1.073 370 Q CA 0.078 55.923 55.803 0.071 0.000 0.867 370 Q CB 1.015 29.773 28.738 0.035 0.000 1.181 370 Q HN 0.494 nan 8.270 nan 0.000 0.526 371 F N 1.636 121.502 119.950 -0.139 0.000 2.532 371 F HA 0.323 4.850 4.527 0.000 0.000 0.321 371 F C -0.648 174.932 175.800 -0.367 0.000 1.089 371 F CA -0.835 57.004 58.000 -0.268 0.000 0.926 371 F CB 1.837 40.618 39.000 -0.366 0.000 1.168 371 F HN 0.221 nan 8.300 nan 0.000 0.459 372 Q N 5.337 124.637 119.800 -0.834 0.000 2.340 372 Q HA 0.163 4.503 4.340 -0.000 0.000 0.259 372 Q C -1.311 174.218 176.000 -0.786 0.000 0.964 372 Q CA -0.297 55.145 55.803 -0.602 0.000 0.900 372 Q CB 1.063 29.570 28.738 -0.385 0.000 1.228 372 Q HN 0.673 nan 8.270 nan 0.000 0.449 373 Y N 3.105 123.244 120.300 -0.268 0.000 2.570 373 Y HA 0.129 4.679 4.550 -0.000 0.000 0.336 373 Y C 0.811 176.617 175.900 -0.157 0.000 1.284 373 Y CA -0.193 57.798 58.100 -0.182 0.000 1.761 373 Y CB 0.223 38.629 38.460 -0.089 0.000 1.724 373 Y HN 0.340 nan 8.280 nan 0.000 0.455 374 R N 1.896 122.332 120.500 -0.106 0.000 2.868 374 R HA 0.225 4.565 4.340 -0.000 0.000 0.262 374 R C -2.355 173.875 176.300 -0.117 0.000 1.163 374 R CA -0.496 55.558 56.100 -0.077 0.000 1.105 374 R CB 0.721 30.980 30.300 -0.069 0.000 1.270 374 R HN 0.518 nan 8.270 nan 0.000 0.437 375 N N 2.250 120.903 118.700 -0.078 0.000 2.335 375 N HA 0.497 5.237 4.740 -0.000 0.000 0.304 375 N C -1.358 174.086 175.510 -0.110 0.000 1.135 375 N CA -0.831 52.167 53.050 -0.086 0.000 0.817 375 N CB 1.908 40.359 38.487 -0.060 0.000 1.294 375 N HN 0.568 nan 8.380 nan 0.000 0.497 376 R N 3.781 124.207 120.500 -0.123 0.000 2.575 376 R HA 0.303 4.643 4.340 -0.000 0.000 0.292 376 R C -0.759 175.525 176.300 -0.028 0.000 1.246 376 R CA -0.529 55.430 56.100 -0.235 0.000 0.973 376 R CB 0.054 30.175 30.300 -0.298 0.000 1.187 376 R HN 0.477 nan 8.270 nan 0.000 0.478 377 I N 3.252 123.938 120.570 0.193 0.000 2.906 377 I HA -0.016 4.154 4.170 -0.000 0.000 0.302 377 I C 0.816 177.022 176.117 0.148 0.000 1.220 377 I CA 0.686 62.108 61.300 0.203 0.000 1.441 377 I CB -0.326 37.848 38.000 0.289 0.000 1.336 377 I HN 0.705 nan 8.210 nan 0.000 0.565 378 A N 7.358 130.153 122.820 -0.042 0.000 2.294 378 A HA 0.584 4.904 4.320 -0.000 0.000 0.330 378 A C 1.071 178.527 177.584 -0.214 0.000 1.133 378 A CA -0.749 51.215 52.037 -0.121 0.000 0.836 378 A CB 1.177 20.014 19.000 -0.271 0.000 1.190 378 A HN 0.824 nan 8.150 nan 0.000 0.492 379 M N -0.540 118.957 119.600 -0.172 0.000 2.254 379 M HA 0.011 4.491 4.480 -0.000 0.000 0.265 379 M C 0.865 177.057 176.300 -0.180 0.000 1.066 379 M CA 1.985 57.145 55.300 -0.233 0.000 1.123 379 M CB -0.689 31.876 32.600 -0.059 0.000 1.388 379 M HN 0.693 nan 8.290 nan 0.000 0.425 380 E N 0.846 120.939 120.200 -0.178 0.000 2.268 380 E HA -0.071 4.279 4.350 -0.000 0.000 0.195 380 E C 1.597 178.177 176.600 -0.033 0.000 0.995 380 E CA 1.030 57.271 56.400 -0.264 0.000 0.836 380 E CB -0.336 29.120 29.700 -0.407 0.000 0.763 380 E HN 0.500 nan 8.360 nan 0.000 0.491 381 F N 2.168 121.873 119.950 -0.409 0.000 2.074 381 F HA -0.118 4.409 4.527 -0.000 0.000 0.293 381 F C 1.990 177.757 175.800 -0.055 0.000 1.116 381 F CA 1.381 59.203 58.000 -0.296 0.000 1.212 381 F CB -0.909 37.755 39.000 -0.559 0.000 0.998 381 F HN 0.051 nan 8.300 nan 0.000 0.471 382 N N 0.404 119.009 118.700 -0.158 0.000 2.069 382 N HA -0.282 4.458 4.740 -0.000 0.000 0.196 382 N C 1.746 177.039 175.510 -0.363 0.000 1.024 382 N CA 2.128 54.741 53.050 -0.727 0.000 0.869 382 N CB -0.370 37.781 38.487 -0.559 0.000 1.035 382 N HN 0.522 nan 8.380 nan 0.000 0.434 383 Q N 0.452 120.226 119.800 -0.044 0.000 2.084 383 Q HA -0.117 4.223 4.340 -0.000 0.000 0.202 383 Q C 2.162 178.373 176.000 0.351 0.000 0.978 383 Q CA 1.289 57.182 55.803 0.150 0.000 0.844 383 Q CB -0.212 28.662 28.738 0.227 0.000 0.898 383 Q HN 0.629 nan 8.270 nan 0.000 0.426 384 L N -2.572 118.854 121.223 0.339 0.000 2.627 384 L HA 0.100 4.440 4.340 -0.000 0.000 0.233 384 L C 0.876 177.869 176.870 0.206 0.000 1.144 384 L CA 0.643 55.682 54.840 0.330 0.000 0.892 384 L CB -0.265 41.969 42.059 0.292 0.000 1.039 384 L HN 0.112 nan 8.230 nan 0.000 0.442 385 Y N -0.102 120.096 120.300 -0.171 0.000 2.524 385 Y HA 0.167 4.717 4.550 -0.000 0.000 0.266 385 Y C 0.279 175.740 175.900 -0.731 0.000 1.180 385 Y CA -0.677 57.003 58.100 -0.701 0.000 1.244 385 Y CB 0.206 38.134 38.460 -0.887 0.000 1.125 385 Y HN 0.347 nan 8.280 nan 0.000 0.524 386 H N -0.150 118.922 119.070 0.003 0.000 2.970 386 H HA -0.002 4.554 4.556 -0.000 0.000 0.226 386 H C -0.552 174.997 175.328 0.367 0.000 1.909 386 H CA -0.149 55.973 56.048 0.122 0.000 1.388 386 H CB -0.535 29.345 29.762 0.198 0.000 1.773 386 H HN 0.303 nan 8.280 nan 0.000 0.559 387 W N 0.975 122.300 121.300 0.042 0.000 2.564 387 W HA 0.083 4.743 4.660 -0.000 0.000 0.447 387 W C 0.430 176.941 176.519 -0.013 0.000 0.701 387 W CA -0.605 56.793 57.345 0.089 0.000 2.223 387 W CB -1.384 28.179 29.460 0.172 0.000 0.990 387 W HN 0.681 nan 8.180 nan 0.000 0.698 388 H N 1.138 120.452 119.070 0.407 0.000 2.456 388 H HA -0.109 4.447 4.556 -0.000 0.000 0.296 388 H C -0.269 175.225 175.328 0.277 0.000 1.079 388 H CA 1.643 57.876 56.048 0.308 0.000 1.322 388 H CB -1.093 28.829 29.762 0.266 0.000 1.388 388 H HN 0.017 nan 8.280 nan 0.000 0.538 389 P HA -0.068 nan 4.420 nan 0.000 0.242 389 P C 0.957 178.370 177.300 0.189 0.000 1.197 389 P CA 0.785 64.020 63.100 0.225 0.000 0.765 389 P CB 0.075 31.864 31.700 0.148 0.000 0.936 390 L N -1.542 119.803 121.223 0.203 0.000 2.217 390 L HA -0.009 4.331 4.340 -0.000 0.000 0.211 390 L C 1.526 178.498 176.870 0.169 0.000 1.107 390 L CA 0.569 55.510 54.840 0.167 0.000 0.783 390 L CB -0.549 41.635 42.059 0.207 0.000 0.919 390 L HN -0.005 nan 8.230 nan 0.000 0.442 391 M N 1.523 121.244 119.600 0.202 0.000 2.246 391 M HA 0.120 4.600 4.480 -0.000 0.000 0.350 391 M C -1.676 174.730 176.300 0.176 0.000 1.406 391 M CA -1.875 53.534 55.300 0.181 0.000 1.089 391 M CB 0.049 32.842 32.600 0.322 0.000 1.782 391 M HN -0.153 nan 8.290 nan 0.000 0.457 392 P HA 0.035 nan 4.420 nan 0.000 0.300 392 P C -0.058 177.128 177.300 -0.190 0.000 1.294 392 P CA 0.231 63.133 63.100 -0.329 0.000 0.757 392 P CB 0.811 32.131 31.700 -0.634 0.000 1.377 393 D N -2.186 117.987 120.400 -0.378 0.000 2.431 393 D HA 0.050 4.690 4.640 -0.000 0.000 0.235 393 D C 0.989 177.325 176.300 0.060 0.000 0.980 393 D CA 0.920 54.828 54.000 -0.153 0.000 0.912 393 D CB 0.125 40.770 40.800 -0.260 0.000 1.056 393 D HN 0.458 nan 8.370 nan 0.000 0.494 394 S N -1.299 114.338 115.700 -0.104 0.000 2.840 394 S HA 0.638 5.108 4.470 -0.000 0.000 0.307 394 S C -1.337 173.111 174.600 -0.252 0.000 1.180 394 S CA -0.851 57.415 58.200 0.110 0.000 0.846 394 S CB 1.158 64.421 63.200 0.105 0.000 1.233 394 S HN -0.108 nan 8.310 nan 0.000 0.548 395 F N 0.807 120.758 119.950 0.001 0.000 2.691 395 F HA 0.648 5.175 4.527 -0.000 0.000 0.371 395 F C 0.954 176.755 175.800 0.003 0.000 1.159 395 F CA -0.714 57.241 58.000 -0.075 0.000 1.174 395 F CB 0.667 39.486 39.000 -0.300 0.000 1.419 395 F HN 0.926 nan 8.300 nan 0.000 0.514 396 R N 0.515 121.031 120.500 0.027 0.000 2.570 396 R HA 0.603 4.943 4.340 -0.000 0.000 0.277 396 R C -0.496 175.791 176.300 -0.021 0.000 1.039 396 R CA 0.018 56.118 56.100 0.000 0.000 1.065 396 R CB 0.101 30.369 30.300 -0.054 0.000 0.964 396 R HN 0.469 nan 8.270 nan 0.000 0.428 397 V N 2.677 122.581 119.914 -0.018 0.000 2.546 397 V HA 0.537 4.657 4.120 -0.000 0.000 0.260 397 V C 1.067 177.108 176.094 -0.088 0.000 0.933 397 V CA 0.226 62.445 62.300 -0.135 0.000 0.994 397 V CB -0.281 31.433 31.823 -0.181 0.000 1.160 397 V HN 1.798 nan 8.190 nan 0.000 0.523 398 G N 4.042 112.802 108.800 -0.066 0.000 2.520 398 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.248 398 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.248 398 G C -0.769 174.128 174.900 -0.005 0.000 1.161 398 G CA 0.284 45.371 45.100 -0.021 0.000 0.946 398 G HN 0.465 nan 8.290 nan 0.000 0.565 399 P HA 0.253 nan 4.420 nan 0.000 0.220 399 P C 1.256 178.547 177.300 -0.014 0.000 1.152 399 P CA 2.430 65.534 63.100 0.007 0.000 0.812 399 P CB -0.462 31.252 31.700 0.024 0.000 0.792 400 Q N 0.925 120.724 119.800 -0.002 0.000 2.584 400 Q HA 0.197 4.537 4.340 -0.000 0.000 0.218 400 Q C -0.172 175.727 176.000 -0.170 0.000 1.079 400 Q CA 0.760 56.489 55.803 -0.122 0.000 1.008 400 Q CB -0.377 28.309 28.738 -0.086 0.000 1.267 400 Q HN 0.238 nan 8.270 nan 0.000 0.586 401 D N -1.291 118.903 120.400 -0.344 0.000 3.361 401 D HA 0.224 4.864 4.640 -0.000 0.000 0.246 401 D C -1.633 174.598 176.300 -0.114 0.000 1.395 401 D CA -0.283 53.630 54.000 -0.146 0.000 0.839 401 D CB -0.600 40.159 40.800 -0.069 0.000 1.469 401 D HN 0.539 nan 8.370 nan 0.000 0.636 402 Y N 0.674 121.099 120.300 0.207 0.000 2.805 402 Y HA 0.160 4.710 4.550 -0.000 0.000 0.337 402 Y C 1.819 177.909 175.900 0.316 0.000 1.252 402 Y CA 0.104 58.355 58.100 0.253 0.000 1.515 402 Y CB 0.462 39.104 38.460 0.304 0.000 1.305 402 Y HN 0.210 nan 8.280 nan 0.000 0.600 403 S N 1.429 117.386 115.700 0.429 0.000 2.671 403 S HA 0.207 4.677 4.470 -0.000 0.000 0.272 403 S C 0.774 175.701 174.600 0.545 0.000 1.174 403 S CA -0.551 57.924 58.200 0.458 0.000 1.004 403 S CB 0.211 63.614 63.200 0.339 0.000 1.077 403 S HN 0.696 nan 8.310 nan 0.000 0.553 404 Y N 0.429 120.918 120.300 0.315 0.000 2.200 404 Y HA -0.028 4.522 4.550 -0.000 0.000 0.290 404 Y C 3.269 179.253 175.900 0.140 0.000 1.137 404 Y CA 1.578 59.806 58.100 0.213 0.000 1.163 404 Y CB -0.919 37.557 38.460 0.027 0.000 0.988 404 Y HN 0.921 nan 8.280 nan 0.000 0.518 405 E N 0.645 121.016 120.200 0.285 0.000 2.130 405 E HA -0.294 4.056 4.350 -0.000 0.000 0.196 405 E C 1.665 178.392 176.600 0.211 0.000 0.998 405 E CA 1.998 58.524 56.400 0.211 0.000 0.806 405 E CB -0.796 29.003 29.700 0.164 0.000 0.738 405 E HN 0.704 nan 8.360 nan 0.000 0.459 406 Q N -2.470 117.480 119.800 0.251 0.000 2.354 406 Q HA 0.213 4.553 4.340 -0.000 0.000 0.203 406 Q C 1.892 177.979 176.000 0.144 0.000 0.933 406 Q CA 0.717 56.665 55.803 0.240 0.000 0.901 406 Q CB 0.161 29.142 28.738 0.405 0.000 1.007 406 Q HN 0.606 nan 8.270 nan 0.000 0.495 407 F N 0.929 120.853 119.950 -0.042 0.000 2.188 407 F HA 0.127 4.654 4.527 -0.000 0.000 0.289 407 F C 0.628 176.247 175.800 -0.302 0.000 1.082 407 F CA 0.135 57.964 58.000 -0.286 0.000 1.282 407 F CB 0.240 38.829 39.000 -0.685 0.000 1.060 407 F HN -0.137 nan 8.300 nan 0.000 0.493 408 L N 1.277 122.386 121.223 -0.190 0.000 2.514 408 L HA -0.059 4.281 4.340 -0.000 0.000 0.280 408 L C 0.445 177.180 176.870 -0.225 0.000 1.223 408 L CA 0.187 54.778 54.840 -0.416 0.000 0.864 408 L CB -0.169 41.711 42.059 -0.299 0.000 1.118 408 L HN 0.379 nan 8.230 nan 0.000 0.494 409 F N -0.380 119.458 119.950 -0.187 0.000 2.945 409 F HA -0.333 4.194 4.527 -0.000 0.000 0.334 409 F C 1.132 176.850 175.800 -0.137 0.000 0.683 409 F CA 0.633 58.560 58.000 -0.121 0.000 1.044 409 F CB -1.668 37.303 39.000 -0.048 0.000 1.478 409 F HN 0.682 nan 8.300 nan 0.000 0.324 410 N N 1.770 120.394 118.700 -0.127 0.000 2.414 410 N HA 0.019 4.759 4.740 -0.000 0.000 0.268 410 N C 0.890 176.324 175.510 -0.127 0.000 1.286 410 N CA 1.324 54.287 53.050 -0.146 0.000 0.896 410 N CB 0.792 39.102 38.487 -0.295 0.000 1.093 410 N HN 0.368 nan 8.380 nan 0.000 0.480 411 T N -0.210 114.317 114.554 -0.044 0.000 3.258 411 T HA 0.180 4.530 4.350 -0.000 0.000 0.263 411 T C 0.807 175.471 174.700 -0.059 0.000 0.983 411 T CA -0.154 61.938 62.100 -0.014 0.000 0.907 411 T CB -0.395 68.482 68.868 0.016 0.000 1.096 411 T HN 0.423 nan 8.240 nan 0.000 0.556 412 S N -0.901 114.747 115.700 -0.086 0.000 2.648 412 S HA 0.210 4.680 4.470 -0.000 0.000 0.270 412 S C 1.354 175.900 174.600 -0.089 0.000 1.034 412 S CA -0.243 57.901 58.200 -0.093 0.000 1.376 412 S CB -0.459 62.684 63.200 -0.094 0.000 1.227 412 S HN 0.282 nan 8.310 nan 0.000 0.676 413 M N 1.255 120.799 119.600 -0.092 0.000 2.086 413 M HA 0.005 4.485 4.480 -0.000 0.000 0.261 413 M C 1.961 178.330 176.300 0.114 0.000 1.067 413 M CA 1.750 57.039 55.300 -0.018 0.000 1.116 413 M CB -0.259 32.281 32.600 -0.100 0.000 1.348 413 M HN 0.459 nan 8.290 nan 0.000 0.407 414 L N 0.209 121.469 121.223 0.062 0.000 1.956 414 L HA -0.176 4.164 4.340 -0.000 0.000 0.216 414 L C 2.125 179.098 176.870 0.172 0.000 1.073 414 L CA 1.996 56.924 54.840 0.146 0.000 0.762 414 L CB -1.083 41.055 42.059 0.133 0.000 0.889 414 L HN 0.222 nan 8.230 nan 0.000 0.433 415 V N 0.407 120.327 119.914 0.011 0.000 2.594 415 V HA -0.221 3.899 4.120 -0.000 0.000 0.253 415 V C 2.621 178.672 176.094 -0.072 0.000 1.069 415 V CA 1.808 64.007 62.300 -0.169 0.000 1.082 415 V CB -2.065 29.511 31.823 -0.413 0.000 0.680 415 V HN 0.733 nan 8.190 nan 0.000 0.469 416 D N -1.187 119.174 120.400 -0.065 0.000 2.075 416 D HA -0.223 4.417 4.640 -0.000 0.000 0.196 416 D C 1.926 178.176 176.300 -0.083 0.000 0.985 416 D CA 1.604 55.525 54.000 -0.132 0.000 0.834 416 D CB -0.749 39.895 40.800 -0.260 0.000 0.987 416 D HN 0.529 nan 8.370 nan 0.000 0.452 417 Y N 0.479 120.799 120.300 0.034 0.000 2.181 417 Y HA 0.309 4.859 4.550 -0.000 0.000 0.288 417 Y C 1.895 177.838 175.900 0.071 0.000 1.146 417 Y CA 1.256 59.388 58.100 0.053 0.000 1.164 417 Y CB -0.017 38.475 38.460 0.052 0.000 0.982 417 Y HN 0.599 nan 8.280 nan 0.000 0.515 418 G N -0.782 108.181 108.800 0.272 0.000 3.209 418 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.686 418 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.686 418 G C 0.254 175.260 174.900 0.175 0.000 1.065 418 G CA -0.457 44.777 45.100 0.223 0.000 0.812 418 G HN 0.076 nan 8.290 nan 0.000 0.573 419 V N 2.747 122.741 119.914 0.132 0.000 2.226 419 V HA -0.331 3.789 4.120 -0.000 0.000 0.254 419 V C 2.808 178.934 176.094 0.054 0.000 1.065 419 V CA 3.271 65.607 62.300 0.059 0.000 1.039 419 V CB -0.889 30.909 31.823 -0.042 0.000 0.653 419 V HN 0.942 nan 8.190 nan 0.000 0.450 420 E N 0.443 120.668 120.200 0.041 0.000 2.110 420 E HA -0.332 4.018 4.350 -0.000 0.000 0.225 420 E C 2.218 178.844 176.600 0.043 0.000 1.063 420 E CA 2.173 58.596 56.400 0.038 0.000 0.906 420 E CB -0.952 28.774 29.700 0.044 0.000 0.795 420 E HN 0.619 nan 8.360 nan 0.000 0.479 421 A N 0.178 123.033 122.820 0.059 0.000 1.978 421 A HA -0.182 4.138 4.320 -0.000 0.000 0.220 421 A C 2.267 179.818 177.584 -0.055 0.000 1.170 421 A CA 1.403 53.461 52.037 0.035 0.000 0.636 421 A CB -0.586 18.478 19.000 0.106 0.000 0.810 421 A HN 0.225 nan 8.150 nan 0.000 0.448 422 L N -1.027 120.183 121.223 -0.022 0.000 2.068 422 L HA -0.106 4.234 4.340 -0.000 0.000 0.204 422 L C 2.559 179.377 176.870 -0.086 0.000 1.076 422 L CA 0.914 55.681 54.840 -0.122 0.000 0.753 422 L CB -0.411 41.735 42.059 0.144 0.000 0.910 422 L HN 0.254 nan 8.230 nan 0.000 0.439 423 V N 0.358 120.342 119.914 0.116 0.000 2.282 423 V HA -0.401 3.719 4.120 -0.000 0.000 0.249 423 V C 2.145 178.309 176.094 0.116 0.000 1.057 423 V CA 2.392 64.805 62.300 0.189 0.000 1.032 423 V CB -0.506 31.361 31.823 0.074 0.000 0.645 423 V HN 0.543 nan 8.190 nan 0.000 0.447 424 D N -0.027 120.398 120.400 0.041 0.000 2.106 424 D HA -0.202 4.438 4.640 -0.000 0.000 0.191 424 D C 2.103 178.406 176.300 0.005 0.000 0.997 424 D CA 1.694 55.734 54.000 0.067 0.000 0.834 424 D CB -0.265 40.563 40.800 0.046 0.000 0.956 424 D HN 0.399 nan 8.370 nan 0.000 0.448 425 A N -1.008 121.702 122.820 -0.183 0.000 2.032 425 A HA -0.128 4.192 4.320 -0.000 0.000 0.221 425 A C 1.802 179.199 177.584 -0.311 0.000 1.165 425 A CA 1.227 53.073 52.037 -0.319 0.000 0.645 425 A CB -0.862 17.816 19.000 -0.537 0.000 0.807 425 A HN 0.375 nan 8.150 nan 0.000 0.453 426 F N -0.870 119.139 119.950 0.099 0.000 2.446 426 F HA 0.107 4.634 4.527 -0.000 0.000 0.292 426 F C 2.388 178.251 175.800 0.105 0.000 1.096 426 F CA 0.887 58.950 58.000 0.106 0.000 1.438 426 F CB -0.493 38.619 39.000 0.186 0.000 1.107 426 F HN 0.027 nan 8.300 nan 0.000 0.546 427 S N -0.216 115.656 115.700 0.287 0.000 2.603 427 S HA 0.004 4.474 4.470 -0.000 0.000 0.229 427 S C 1.703 176.490 174.600 0.312 0.000 0.972 427 S CA 0.566 58.916 58.200 0.250 0.000 0.935 427 S CB -0.266 62.999 63.200 0.108 0.000 0.769 427 S HN 0.319 nan 8.310 nan 0.000 0.536 428 R N -0.112 120.506 120.500 0.197 0.000 2.469 428 R HA 0.245 4.585 4.340 -0.000 0.000 0.250 428 R C 0.516 176.849 176.300 0.055 0.000 0.909 428 R CA -0.041 56.126 56.100 0.111 0.000 1.050 428 R CB 0.511 30.835 30.300 0.039 0.000 1.256 428 R HN 0.235 nan 8.270 nan 0.000 0.550 429 Q N 2.638 122.472 119.800 0.057 0.000 2.340 429 Q HA 0.262 4.602 4.340 -0.000 0.000 0.259 429 Q C -2.294 173.725 176.000 0.032 0.000 0.964 429 Q CA -2.607 53.203 55.803 0.012 0.000 0.900 429 Q CB 1.293 30.012 28.738 -0.032 0.000 1.228 429 Q HN -0.102 nan 8.270 nan 0.000 0.449 430 P HA -0.073 nan 4.420 nan 0.000 0.267 430 P C -1.300 176.077 177.300 0.129 0.000 1.195 430 P CA 0.232 63.389 63.100 0.095 0.000 0.773 430 P CB 0.664 32.451 31.700 0.146 0.000 0.837 431 A N 2.186 125.084 122.820 0.130 0.000 2.355 431 A HA 0.676 4.996 4.320 -0.000 0.000 0.324 431 A C 0.579 178.258 177.584 0.160 0.000 1.117 431 A CA -0.361 51.760 52.037 0.140 0.000 0.785 431 A CB 0.988 20.030 19.000 0.069 0.000 1.254 431 A HN 0.591 nan 8.150 nan 0.000 0.453 432 G N 0.100 109.043 108.800 0.238 0.000 2.667 432 G HA2 0.425 4.385 3.960 -0.000 0.000 0.250 432 G HA3 0.425 4.385 3.960 -0.000 0.000 0.250 432 G C 0.294 175.101 174.900 -0.156 0.000 1.212 432 G CA -0.422 44.619 45.100 -0.097 0.000 0.874 432 G HN 1.004 nan 8.290 nan 0.000 0.561 433 R N 0.331 120.675 120.500 -0.261 0.000 2.340 433 R HA 0.298 4.638 4.340 -0.000 0.000 0.300 433 R C 1.058 177.277 176.300 -0.136 0.000 1.069 433 R CA -0.382 55.593 56.100 -0.208 0.000 0.984 433 R CB 0.447 30.613 30.300 -0.223 0.000 1.003 433 R HN 0.446 nan 8.270 nan 0.000 0.459 434 I N 2.533 123.027 120.570 -0.127 0.000 2.353 434 I HA 0.030 4.200 4.170 -0.000 0.000 0.248 434 I C 1.436 177.516 176.117 -0.061 0.000 1.119 434 I CA 1.147 62.404 61.300 -0.071 0.000 1.417 434 I CB -0.254 37.679 38.000 -0.112 0.000 1.078 434 I HN 0.807 nan 8.210 nan 0.000 0.421 435 G N -1.291 107.469 108.800 -0.067 0.000 2.671 435 G HA2 0.467 4.427 3.960 -0.000 0.000 0.275 435 G HA3 0.467 4.427 3.960 -0.000 0.000 0.275 435 G C 0.800 175.637 174.900 -0.106 0.000 1.368 435 G CA 0.114 45.162 45.100 -0.086 0.000 1.044 435 G HN 0.363 nan 8.290 nan 0.000 0.543 436 G N -2.245 106.484 108.800 -0.118 0.000 2.268 436 G HA2 0.347 4.307 3.960 -0.000 0.000 0.240 436 G HA3 0.347 4.307 3.960 -0.000 0.000 0.240 436 G C 1.296 176.130 174.900 -0.109 0.000 1.010 436 G CA 0.893 45.925 45.100 -0.112 0.000 0.618 436 G HN 2.839 nan 8.290 nan 0.000 0.516 437 G N -0.657 108.081 108.800 -0.104 0.000 2.690 437 G HA2 0.355 4.315 3.960 -0.000 0.000 0.686 437 G HA3 0.355 4.315 3.960 -0.000 0.000 0.686 437 G C 0.159 175.036 174.900 -0.037 0.000 1.277 437 G CA 0.277 45.333 45.100 -0.075 0.000 0.799 437 G HN 1.736 nan 8.290 nan 0.000 0.613 438 R N -0.605 119.897 120.500 0.003 0.000 3.092 438 R HA -0.227 4.113 4.340 -0.000 0.000 0.245 438 R C 0.410 176.707 176.300 -0.005 0.000 0.881 438 R CA 1.057 57.163 56.100 0.010 0.000 0.614 438 R CB -1.188 29.117 30.300 0.009 0.000 1.128 438 R HN 0.783 nan 8.270 nan 0.000 0.483 439 N N 0.104 118.809 118.700 0.009 0.000 2.039 439 N HA 0.216 4.956 4.740 -0.000 0.000 0.228 439 N C -0.550 175.007 175.510 0.078 0.000 1.369 439 N CA -0.193 52.864 53.050 0.011 0.000 0.806 439 N CB 0.841 39.298 38.487 -0.050 0.000 1.190 439 N HN 0.318 nan 8.380 nan 0.000 0.506 440 I N 1.411 122.041 120.570 0.100 0.000 2.337 440 I HA 0.102 4.272 4.170 -0.000 0.000 0.291 440 I C 0.448 176.650 176.117 0.143 0.000 1.046 440 I CA -0.573 60.822 61.300 0.160 0.000 1.324 440 I CB 0.572 38.675 38.000 0.172 0.000 1.409 440 I HN 0.162 nan 8.210 nan 0.000 0.494 441 D N 4.630 125.135 120.400 0.176 0.000 2.429 441 D HA -0.149 4.491 4.640 -0.000 0.000 0.233 441 D C 1.560 177.933 176.300 0.121 0.000 1.202 441 D CA 0.562 54.625 54.000 0.104 0.000 0.879 441 D CB 0.606 41.490 40.800 0.140 0.000 1.212 441 D HN 0.663 nan 8.370 nan 0.000 0.465 442 H N 0.454 119.440 119.070 -0.141 0.000 2.495 442 H HA -0.076 4.480 4.556 -0.000 0.000 0.287 442 H C 1.133 176.409 175.328 -0.086 0.000 1.033 442 H CA 0.392 56.356 56.048 -0.139 0.000 1.307 442 H CB 0.064 29.700 29.762 -0.209 0.000 1.401 442 H HN 0.430 nan 8.280 nan 0.000 0.555 443 H N 2.031 121.263 119.070 0.271 0.000 2.256 443 H HA -0.082 4.474 4.556 -0.000 0.000 0.301 443 H C 2.520 178.003 175.328 0.258 0.000 1.062 443 H CA 1.648 57.742 56.048 0.077 0.000 1.283 443 H CB -0.262 29.487 29.762 -0.022 0.000 1.379 443 H HN 0.590 nan 8.280 nan 0.000 0.493 444 I N 0.076 120.907 120.570 0.436 0.000 3.334 444 I HA -0.078 4.092 4.170 -0.000 0.000 0.282 444 I C 1.910 178.062 176.117 0.059 0.000 1.313 444 I CA 0.455 61.901 61.300 0.243 0.000 1.396 444 I CB -0.369 37.790 38.000 0.265 0.000 1.054 444 I HN -0.034 nan 8.210 nan 0.000 0.495 445 L N 2.642 123.970 121.223 0.175 0.000 2.556 445 L HA -0.236 4.104 4.340 -0.000 0.000 0.230 445 L C 2.649 179.576 176.870 0.094 0.000 1.163 445 L CA 1.841 56.753 54.840 0.120 0.000 0.819 445 L CB -1.128 41.007 42.059 0.126 0.000 0.939 445 L HN 0.581 nan 8.230 nan 0.000 0.452 446 H N -3.126 115.968 119.070 0.040 0.000 2.403 446 H HA 0.025 4.581 4.556 -0.000 0.000 0.298 446 H C 2.026 177.337 175.328 -0.027 0.000 1.059 446 H CA 1.374 57.430 56.048 0.013 0.000 1.363 446 H CB -1.101 28.675 29.762 0.023 0.000 1.410 446 H HN 0.239 nan 8.280 nan 0.000 0.528 447 V N 2.375 121.940 119.914 -0.582 0.000 2.250 447 V HA -0.323 3.797 4.120 -0.000 0.000 0.250 447 V C 3.268 179.186 176.094 -0.294 0.000 1.060 447 V CA 2.224 64.233 62.300 -0.485 0.000 1.030 447 V CB -1.378 29.982 31.823 -0.771 0.000 0.643 447 V HN 0.633 nan 8.190 nan 0.000 0.445 448 A N -0.124 122.581 122.820 -0.191 0.000 1.908 448 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 448 A C 2.339 179.904 177.584 -0.031 0.000 1.181 448 A CA 2.298 54.308 52.037 -0.045 0.000 0.627 448 A CB -0.741 18.338 19.000 0.131 0.000 0.818 448 A HN 0.411 nan 8.150 nan 0.000 0.445 449 V N 0.312 120.225 119.914 -0.001 0.000 2.667 449 V HA -0.168 3.952 4.120 -0.000 0.000 0.252 449 V C 1.940 178.025 176.094 -0.015 0.000 1.065 449 V CA 1.857 64.172 62.300 0.025 0.000 1.083 449 V CB -0.707 31.148 31.823 0.053 0.000 0.692 449 V HN 0.483 nan 8.190 nan 0.000 0.468 450 D N 0.520 120.885 120.400 -0.059 0.000 2.097 450 D HA -0.105 4.535 4.640 -0.000 0.000 0.197 450 D C 2.230 178.439 176.300 -0.151 0.000 0.984 450 D CA 1.257 55.212 54.000 -0.074 0.000 0.826 450 D CB -0.094 40.667 40.800 -0.065 0.000 0.973 450 D HN 0.338 nan 8.370 nan 0.000 0.460 451 V N 1.644 121.370 119.914 -0.314 0.000 2.490 451 V HA -0.205 3.915 4.120 -0.000 0.000 0.250 451 V C 2.451 178.386 176.094 -0.265 0.000 1.061 451 V CA 1.076 63.082 62.300 -0.490 0.000 1.064 451 V CB -0.356 30.806 31.823 -1.101 0.000 0.670 451 V HN 0.203 nan 8.190 nan 0.000 0.461 452 I N 0.310 120.806 120.570 -0.123 0.000 2.406 452 I HA -0.125 4.045 4.170 -0.000 0.000 0.249 452 I C 2.846 178.995 176.117 0.053 0.000 1.122 452 I CA 1.450 62.781 61.300 0.051 0.000 1.431 452 I CB -0.680 37.401 38.000 0.136 0.000 1.087 452 I HN 0.346 nan 8.210 nan 0.000 0.424 453 K N 1.011 121.422 120.400 0.018 0.000 2.025 453 K HA -0.176 4.144 4.320 -0.000 0.000 0.207 453 K C 1.968 178.585 176.600 0.028 0.000 1.049 453 K CA 1.665 57.970 56.287 0.030 0.000 0.933 453 K CB -0.925 31.587 32.500 0.020 0.000 0.714 453 K HN 0.507 nan 8.250 nan 0.000 0.438 454 E N 0.306 120.506 120.200 0.001 0.000 2.152 454 E HA -0.148 4.202 4.350 -0.000 0.000 0.192 454 E C 2.262 178.881 176.600 0.033 0.000 0.983 454 E CA 1.178 57.585 56.400 0.012 0.000 0.818 454 E CB -0.105 29.585 29.700 -0.016 0.000 0.758 454 E HN 0.532 nan 8.360 nan 0.000 0.467 455 S N 0.477 116.195 115.700 0.030 0.000 2.402 455 S HA -0.190 4.280 4.470 -0.000 0.000 0.233 455 S C 1.882 176.547 174.600 0.107 0.000 1.030 455 S CA 1.454 59.702 58.200 0.080 0.000 1.003 455 S CB -0.234 63.044 63.200 0.131 0.000 0.813 455 S HN 0.336 nan 8.310 nan 0.000 0.477 456 R N -0.113 120.447 120.500 0.099 0.000 2.173 456 R HA 0.165 4.505 4.340 -0.000 0.000 0.208 456 R C 2.219 178.568 176.300 0.081 0.000 1.035 456 R CA 0.934 57.095 56.100 0.102 0.000 1.004 456 R CB -0.465 29.894 30.300 0.099 0.000 0.917 456 R HN 0.317 nan 8.270 nan 0.000 0.462 457 V N 1.989 121.944 119.914 0.069 0.000 2.343 457 V HA -0.205 3.915 4.120 -0.000 0.000 0.247 457 V C 2.229 178.365 176.094 0.071 0.000 1.051 457 V CA 1.678 64.016 62.300 0.064 0.000 1.036 457 V CB -0.329 31.530 31.823 0.060 0.000 0.654 457 V HN 0.250 nan 8.190 nan 0.000 0.451 458 L N -0.993 120.276 121.223 0.077 0.000 2.217 458 L HA 0.027 4.367 4.340 -0.000 0.000 0.211 458 L C 1.138 178.054 176.870 0.077 0.000 1.107 458 L CA 0.626 55.514 54.840 0.080 0.000 0.783 458 L CB -0.330 41.777 42.059 0.080 0.000 0.919 458 L HN 0.316 nan 8.230 nan 0.000 0.442 459 R N 0.168 120.721 120.500 0.087 0.000 3.246 459 R HA -0.119 4.221 4.340 -0.000 0.000 0.260 459 R C -0.625 175.742 176.300 0.111 0.000 1.034 459 R CA 0.010 56.166 56.100 0.093 0.000 0.691 459 R CB -2.277 28.064 30.300 0.068 0.000 1.186 459 R HN 0.253 nan 8.270 nan 0.000 0.416 460 L N 1.521 122.830 121.223 0.143 0.000 2.416 460 L HA 0.100 4.440 4.340 -0.000 0.000 0.272 460 L C 1.483 178.482 176.870 0.217 0.000 1.161 460 L CA 0.155 55.112 54.840 0.195 0.000 0.845 460 L CB 0.584 42.767 42.059 0.208 0.000 1.119 460 L HN 0.239 nan 8.230 nan 0.000 0.464 461 Q N 3.197 123.083 119.800 0.143 0.000 2.614 461 Q HA 0.102 4.442 4.340 -0.000 0.000 0.244 461 Q C -2.116 173.978 176.000 0.157 0.000 1.097 461 Q CA -1.456 54.363 55.803 0.027 0.000 0.986 461 Q CB -0.065 28.471 28.738 -0.336 0.000 1.308 461 Q HN 0.386 nan 8.270 nan 0.000 0.546 462 P HA -0.100 nan 4.420 nan 0.000 0.270 462 P C -0.128 177.344 177.300 0.286 0.000 1.223 462 P CA -0.003 63.208 63.100 0.186 0.000 0.785 462 P CB 0.340 32.107 31.700 0.111 0.000 0.923 463 F N 2.342 122.390 119.950 0.164 0.000 2.043 463 F HA -0.323 4.204 4.527 -0.000 0.000 0.297 463 F C 1.884 177.782 175.800 0.163 0.000 1.118 463 F CA 2.026 60.138 58.000 0.187 0.000 1.202 463 F CB -0.880 38.113 39.000 -0.011 0.000 0.965 463 F HN 0.295 nan 8.300 nan 0.000 0.482 464 N N 0.443 119.214 118.700 0.118 0.000 2.192 464 N HA -0.183 4.557 4.740 -0.000 0.000 0.188 464 N C 1.703 177.163 175.510 -0.084 0.000 1.013 464 N CA 1.457 54.503 53.050 -0.008 0.000 0.863 464 N CB -0.396 38.109 38.487 0.030 0.000 0.990 464 N HN 0.428 nan 8.380 nan 0.000 0.430 465 E N -0.304 119.821 120.200 -0.126 0.000 2.152 465 E HA -0.082 4.268 4.350 -0.000 0.000 0.192 465 E C 1.597 178.065 176.600 -0.220 0.000 0.983 465 E CA 0.618 56.855 56.400 -0.271 0.000 0.818 465 E CB -0.338 29.041 29.700 -0.535 0.000 0.758 465 E HN 0.500 nan 8.360 nan 0.000 0.467 466 Y N 0.845 121.103 120.300 -0.069 0.000 2.395 466 Y HA -0.033 4.517 4.550 -0.000 0.000 0.293 466 Y C 2.346 178.235 175.900 -0.019 0.000 1.123 466 Y CA 0.668 58.782 58.100 0.023 0.000 1.227 466 Y CB 0.151 38.682 38.460 0.118 0.000 1.012 466 Y HN -0.073 nan 8.280 nan 0.000 0.552 467 R N 0.629 121.095 120.500 -0.057 0.000 2.070 467 R HA -0.128 4.212 4.340 -0.000 0.000 0.232 467 R C 2.004 178.317 176.300 0.020 0.000 1.138 467 R CA 1.328 57.370 56.100 -0.096 0.000 0.936 467 R CB -0.564 29.636 30.300 -0.167 0.000 0.839 467 R HN 0.341 nan 8.270 nan 0.000 0.429 468 K N 0.370 120.756 120.400 -0.024 0.000 1.971 468 K HA -0.214 4.106 4.320 -0.000 0.000 0.221 468 K C 2.027 178.636 176.600 0.015 0.000 1.050 468 K CA 1.647 57.916 56.287 -0.030 0.000 0.967 468 K CB -0.400 32.041 32.500 -0.099 0.000 0.733 468 K HN -0.101 nan 8.250 nan 0.000 0.445 469 R N 0.793 121.292 120.500 -0.002 0.000 2.267 469 R HA -0.164 4.176 4.340 -0.000 0.000 0.259 469 R C 0.731 177.005 176.300 -0.042 0.000 1.192 469 R CA 1.529 57.621 56.100 -0.013 0.000 1.013 469 R CB -0.496 29.803 30.300 -0.002 0.000 0.877 469 R HN 0.222 nan 8.270 nan 0.000 0.474 470 F N -0.609 119.333 119.950 -0.013 0.000 2.923 470 F HA 0.319 4.846 4.527 -0.000 0.000 0.314 470 F C 1.097 176.893 175.800 -0.008 0.000 1.196 470 F CA 0.126 58.118 58.000 -0.013 0.000 1.320 470 F CB 0.794 39.793 39.000 -0.002 0.000 0.953 470 F HN 0.203 nan 8.300 nan 0.000 0.505 471 G N 1.765 110.616 108.800 0.085 0.000 2.338 471 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.296 471 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.296 471 G C -0.252 174.691 174.900 0.072 0.000 1.040 471 G CA 0.255 45.399 45.100 0.073 0.000 1.004 471 G HN 0.384 nan 8.290 nan 0.000 0.509 472 M N -1.096 118.536 119.600 0.053 0.000 2.667 472 M HA 0.717 5.197 4.480 -0.000 0.000 0.286 472 M C 0.219 176.500 176.300 -0.030 0.000 1.270 472 M CA -0.483 54.823 55.300 0.010 0.000 0.826 472 M CB 1.887 34.489 32.600 0.004 0.000 1.743 472 M HN 0.341 nan 8.290 nan 0.000 0.460 473 K N 1.726 122.078 120.400 -0.079 0.000 2.172 473 K HA 0.678 4.998 4.320 -0.000 0.000 0.276 473 K C -2.859 173.646 176.600 -0.159 0.000 1.013 473 K CA -1.675 54.550 56.287 -0.104 0.000 0.913 473 K CB -0.302 32.130 32.500 -0.114 0.000 1.055 473 K HN 0.438 nan 8.250 nan 0.000 0.461 474 P HA 0.110 nan 4.420 nan 0.000 0.271 474 P C -0.849 176.401 177.300 -0.084 0.000 1.218 474 P CA -0.203 62.861 63.100 -0.060 0.000 0.780 474 P CB 0.214 31.898 31.700 -0.026 0.000 0.901 475 Y N 0.526 120.813 120.300 -0.021 0.000 2.397 475 Y HA 0.067 4.617 4.550 -0.000 0.000 0.335 475 Y C 2.195 178.061 175.900 -0.056 0.000 1.213 475 Y CA 0.894 58.976 58.100 -0.028 0.000 1.391 475 Y CB 0.406 38.848 38.460 -0.030 0.000 1.293 475 Y HN 0.398 nan 8.280 nan 0.000 0.557 476 T N -2.541 112.065 114.554 0.086 0.000 3.069 476 T HA 0.304 4.654 4.350 -0.000 0.000 0.252 476 T C -0.088 174.627 174.700 0.024 0.000 1.053 476 T CA 0.350 62.471 62.100 0.035 0.000 0.964 476 T CB -0.378 68.503 68.868 0.022 0.000 1.005 476 T HN 0.563 nan 8.240 nan 0.000 0.532 477 S N -1.173 114.538 115.700 0.020 0.000 2.597 477 S HA 0.491 4.961 4.470 -0.000 0.000 0.274 477 S C -0.225 174.332 174.600 -0.072 0.000 1.132 477 S CA -0.927 57.266 58.200 -0.011 0.000 0.835 477 S CB -0.110 63.129 63.200 0.064 0.000 1.092 477 S HN -0.059 nan 8.310 nan 0.000 0.457 478 F N 1.429 121.375 119.950 -0.006 0.000 2.293 478 F HA 0.032 4.559 4.527 -0.000 0.000 0.300 478 F C 3.252 179.007 175.800 -0.075 0.000 1.086 478 F CA 2.145 60.098 58.000 -0.078 0.000 1.375 478 F CB -0.625 38.326 39.000 -0.081 0.000 1.045 478 F HN 0.880 nan 8.300 nan 0.000 0.516 479 Q N 0.676 120.560 119.800 0.140 0.000 2.002 479 Q HA -0.282 4.058 4.340 -0.000 0.000 0.204 479 Q C 2.080 178.121 176.000 0.068 0.000 0.988 479 Q CA 1.929 57.782 55.803 0.083 0.000 0.843 479 Q CB -1.288 27.497 28.738 0.079 0.000 0.908 479 Q HN 0.583 nan 8.270 nan 0.000 0.420 480 E N -0.443 119.821 120.200 0.106 0.000 2.204 480 E HA -0.132 4.218 4.350 -0.000 0.000 0.195 480 E C 2.020 178.758 176.600 0.230 0.000 0.990 480 E CA 1.134 57.648 56.400 0.190 0.000 0.821 480 E CB -0.075 29.770 29.700 0.242 0.000 0.750 480 E HN 0.496 nan 8.360 nan 0.000 0.477 481 L N 1.223 122.420 121.223 -0.042 0.000 1.961 481 L HA -0.063 4.277 4.340 -0.000 0.000 0.209 481 L C 1.373 178.051 176.870 -0.319 0.000 1.075 481 L CA 2.016 56.488 54.840 -0.612 0.000 0.749 481 L CB -0.962 40.702 42.059 -0.657 0.000 0.890 481 L HN 0.088 nan 8.230 nan 0.000 0.433 482 T N -1.207 113.233 114.554 -0.189 0.000 2.851 482 T HA 0.393 4.743 4.350 -0.000 0.000 0.298 482 T C 0.842 175.500 174.700 -0.070 0.000 0.977 482 T CA -0.246 61.768 62.100 -0.143 0.000 1.126 482 T CB 0.764 69.549 68.868 -0.138 0.000 0.916 482 T HN 0.490 nan 8.240 nan 0.000 0.529 483 G N 3.149 111.910 108.800 -0.066 0.000 3.180 483 G HA2 0.416 4.376 3.960 -0.000 0.000 0.246 483 G HA3 0.416 4.376 3.960 -0.000 0.000 0.246 483 G C 0.110 174.995 174.900 -0.025 0.000 0.939 483 G CA -0.013 45.071 45.100 -0.027 0.000 1.920 483 G HN 1.107 nan 8.290 nan 0.000 0.612 484 E N -3.045 117.141 120.200 -0.024 0.000 1.543 484 E HA 0.642 4.992 4.350 -0.000 0.000 0.201 484 E C 0.437 177.028 176.600 -0.014 0.000 2.003 484 E CA -0.102 56.286 56.400 -0.020 0.000 1.176 484 E CB -0.255 29.425 29.700 -0.033 0.000 1.324 484 E HN 0.125 nan 8.360 nan 0.000 0.685 485 K N -1.070 119.321 120.400 -0.015 0.000 2.574 485 K HA 0.542 4.862 4.320 -0.000 0.000 0.215 485 K C 1.811 178.400 176.600 -0.018 0.000 1.485 485 K CA 1.201 57.484 56.287 -0.007 0.000 1.006 485 K CB -0.653 31.850 32.500 0.005 0.000 1.254 485 K HN 0.561 nan 8.250 nan 0.000 0.580 486 E N 1.240 121.426 120.200 -0.023 0.000 2.001 486 E HA -0.073 4.277 4.350 -0.000 0.000 0.195 486 E C 2.132 178.705 176.600 -0.046 0.000 1.002 486 E CA 1.795 58.182 56.400 -0.022 0.000 0.819 486 E CB -0.694 28.998 29.700 -0.012 0.000 0.769 486 E HN 0.546 nan 8.360 nan 0.000 0.454 487 M N 0.036 119.588 119.600 -0.081 0.000 2.106 487 M HA -0.131 4.349 4.480 -0.000 0.000 0.259 487 M C 2.845 178.997 176.300 -0.246 0.000 1.068 487 M CA 1.664 56.855 55.300 -0.182 0.000 1.100 487 M CB -0.452 31.988 32.600 -0.267 0.000 1.351 487 M HN 0.491 nan 8.290 nan 0.000 0.404 488 A N 0.467 123.192 122.820 -0.159 0.000 1.958 488 A HA -0.180 4.140 4.320 -0.000 0.000 0.221 488 A C 2.349 179.843 177.584 -0.150 0.000 1.178 488 A CA 2.251 54.225 52.037 -0.105 0.000 0.642 488 A CB -0.937 18.066 19.000 0.006 0.000 0.816 488 A HN 0.558 nan 8.150 nan 0.000 0.453 489 A N -0.946 121.816 122.820 -0.097 0.000 1.855 489 A HA 0.077 4.397 4.320 -0.000 0.000 0.215 489 A C 2.215 179.736 177.584 -0.105 0.000 1.191 489 A CA 2.535 54.529 52.037 -0.070 0.000 0.613 489 A CB -1.220 17.766 19.000 -0.024 0.000 0.829 489 A HN 0.801 nan 8.150 nan 0.000 0.442 490 E N 0.041 120.195 120.200 -0.077 0.000 2.085 490 E HA -0.131 4.219 4.350 -0.000 0.000 0.194 490 E C 1.983 178.525 176.600 -0.095 0.000 0.994 490 E CA 1.395 57.797 56.400 0.003 0.000 0.801 490 E CB -0.896 28.905 29.700 0.168 0.000 0.743 490 E HN 0.599 nan 8.360 nan 0.000 0.453 491 L N -0.044 120.965 121.223 -0.356 0.000 1.970 491 L HA -0.167 4.173 4.340 -0.000 0.000 0.212 491 L C 3.320 179.628 176.870 -0.937 0.000 1.071 491 L CA 2.311 56.749 54.840 -0.670 0.000 0.751 491 L CB -0.920 40.482 42.059 -1.095 0.000 0.889 491 L HN 0.598 nan 8.230 nan 0.000 0.432 492 E N 0.379 119.911 120.200 -1.113 0.000 2.086 492 E HA -0.348 4.002 4.350 -0.000 0.000 0.200 492 E C 1.958 178.484 176.600 -0.122 0.000 1.012 492 E CA 1.773 57.887 56.400 -0.477 0.000 0.812 492 E CB -0.929 28.744 29.700 -0.045 0.000 0.743 492 E HN 0.668 nan 8.360 nan 0.000 0.453 493 E N -0.268 119.867 120.200 -0.109 0.000 2.209 493 E HA -0.145 4.205 4.350 -0.000 0.000 0.196 493 E C 2.156 178.757 176.600 0.002 0.000 0.993 493 E CA 1.149 57.538 56.400 -0.018 0.000 0.819 493 E CB -0.155 29.545 29.700 0.000 0.000 0.745 493 E HN 0.618 nan 8.360 nan 0.000 0.477 494 L N -0.960 120.254 121.223 -0.015 0.000 2.115 494 L HA -0.042 4.298 4.340 -0.000 0.000 0.200 494 L C 2.271 179.126 176.870 -0.026 0.000 1.094 494 L CA 0.687 55.511 54.840 -0.027 0.000 0.769 494 L CB -0.819 41.218 42.059 -0.036 0.000 0.931 494 L HN 0.105 nan 8.230 nan 0.000 0.455 495 Y N 0.524 120.859 120.300 0.058 0.000 2.439 495 Y HA -0.030 4.520 4.550 -0.000 0.000 0.292 495 Y C 2.073 178.083 175.900 0.184 0.000 1.130 495 Y CA 0.998 59.199 58.100 0.169 0.000 1.254 495 Y CB -0.331 38.330 38.460 0.335 0.000 1.000 495 Y HN 0.439 nan 8.280 nan 0.000 0.554 496 G N -0.250 108.726 108.800 0.293 0.000 2.377 496 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.250 496 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.250 496 G C -0.124 174.945 174.900 0.281 0.000 1.039 496 G CA 0.728 45.966 45.100 0.230 0.000 0.625 496 G HN 0.446 nan 8.290 nan 0.000 0.526 497 D N -1.997 118.626 120.400 0.372 0.000 2.736 497 D HA 0.528 5.168 4.640 -0.000 0.000 0.223 497 D C 0.883 177.267 176.300 0.140 0.000 1.231 497 D CA -0.247 53.907 54.000 0.258 0.000 0.818 497 D CB 0.812 41.704 40.800 0.153 0.000 1.587 497 D HN 0.191 nan 8.370 nan 0.000 0.463 498 I N 1.653 122.130 120.570 -0.156 0.000 2.208 498 I HA -0.134 4.036 4.170 -0.000 0.000 0.245 498 I C 1.113 177.087 176.117 -0.238 0.000 1.097 498 I CA 1.660 62.622 61.300 -0.564 0.000 1.363 498 I CB -0.175 37.563 38.000 -0.436 0.000 1.051 498 I HN 0.477 nan 8.210 nan 0.000 0.413 499 D N 0.562 120.926 120.400 -0.061 0.000 2.403 499 D HA -0.063 4.577 4.640 -0.000 0.000 0.227 499 D C 1.802 178.140 176.300 0.064 0.000 0.995 499 D CA 1.084 55.095 54.000 0.018 0.000 0.928 499 D CB 0.064 40.897 40.800 0.055 0.000 0.887 499 D HN 0.545 nan 8.370 nan 0.000 0.529 500 A N 0.113 122.978 122.820 0.075 0.000 2.197 500 A HA 0.112 4.432 4.320 -0.000 0.000 0.210 500 A C 0.983 178.617 177.584 0.084 0.000 1.180 500 A CA -0.358 51.776 52.037 0.162 0.000 0.846 500 A CB 0.166 19.330 19.000 0.274 0.000 0.884 500 A HN 0.173 nan 8.150 nan 0.000 0.487 501 L N 1.184 122.295 121.223 -0.186 0.000 2.536 501 L HA 0.041 4.381 4.340 -0.000 0.000 0.294 501 L C 0.261 177.009 176.870 -0.204 0.000 1.257 501 L CA 0.601 55.074 54.840 -0.612 0.000 0.850 501 L CB 0.115 41.867 42.059 -0.511 0.000 1.105 501 L HN 0.428 nan 8.230 nan 0.000 0.517 502 E N 2.603 122.680 120.200 -0.205 0.000 2.280 502 E HA 0.067 4.417 4.350 -0.000 0.000 0.264 502 E C 0.294 177.005 176.600 0.186 0.000 1.064 502 E CA -0.402 56.087 56.400 0.149 0.000 0.900 502 E CB 0.828 30.695 29.700 0.279 0.000 1.123 502 E HN 0.652 nan 8.360 nan 0.000 0.418 503 F N 1.136 121.216 119.950 0.217 0.000 2.051 503 F HA -0.271 4.256 4.527 -0.000 0.000 0.296 503 F C 2.048 177.951 175.800 0.171 0.000 1.122 503 F CA 1.649 59.805 58.000 0.260 0.000 1.201 503 F CB -0.289 38.799 39.000 0.146 0.000 0.978 503 F HN 0.604 nan 8.300 nan 0.000 0.472 504 Y N 1.193 121.494 120.300 0.002 0.000 2.089 504 Y HA -0.059 4.491 4.550 -0.000 0.000 0.282 504 Y C -0.669 175.122 175.900 -0.181 0.000 1.139 504 Y CA 1.616 59.642 58.100 -0.122 0.000 1.123 504 Y CB -1.973 36.492 38.460 0.008 0.000 0.980 504 Y HN 0.029 nan 8.280 nan 0.000 0.493 505 P HA -0.159 nan 4.420 nan 0.000 0.216 505 P C 1.598 178.632 177.300 -0.445 0.000 1.150 505 P CA 2.314 65.300 63.100 -0.189 0.000 0.843 505 P CB -0.421 31.317 31.700 0.064 0.000 0.787 506 G N -0.131 108.269 108.800 -0.666 0.000 2.484 506 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.215 506 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.215 506 G C 1.528 175.769 174.900 -1.098 0.000 1.219 506 G CA 0.558 44.903 45.100 -1.258 0.000 0.791 506 G HN 0.202 nan 8.290 nan 0.000 0.550 507 L N 0.001 120.687 121.223 -0.896 0.000 2.054 507 L HA -0.157 4.183 4.340 -0.000 0.000 0.220 507 L C 2.792 179.388 176.870 -0.457 0.000 1.081 507 L CA 1.125 55.669 54.840 -0.493 0.000 0.780 507 L CB -0.177 41.583 42.059 -0.498 0.000 0.893 507 L HN 0.212 nan 8.230 nan 0.000 0.438 508 L N -1.128 119.775 121.223 -0.533 0.000 2.492 508 L HA -0.084 4.256 4.340 -0.000 0.000 0.223 508 L C 1.587 178.269 176.870 -0.312 0.000 1.132 508 L CA 0.311 54.906 54.840 -0.407 0.000 0.850 508 L CB -0.023 41.748 42.059 -0.479 0.000 0.966 508 L HN 0.323 nan 8.230 nan 0.000 0.454 509 L N -0.905 120.097 121.223 -0.368 0.000 2.808 509 L HA 0.191 4.531 4.340 -0.000 0.000 0.246 509 L C 0.843 177.519 176.870 -0.323 0.000 1.153 509 L CA -0.077 54.572 54.840 -0.319 0.000 0.956 509 L CB 0.310 42.158 42.059 -0.352 0.000 1.270 509 L HN 0.168 nan 8.230 nan 0.000 0.528 510 E N 2.802 122.799 120.200 -0.338 0.000 2.354 510 E HA 0.097 4.447 4.350 -0.000 0.000 0.269 510 E C -0.122 176.360 176.600 -0.197 0.000 1.036 510 E CA -0.568 55.653 56.400 -0.297 0.000 0.876 510 E CB 0.834 30.390 29.700 -0.239 0.000 1.009 510 E HN 0.131 nan 8.360 nan 0.000 0.416 511 K N 2.325 122.629 120.400 -0.160 0.000 2.489 511 K HA 0.072 4.392 4.320 -0.000 0.000 0.278 511 K C -0.877 175.649 176.600 -0.125 0.000 1.000 511 K CA -0.376 55.848 56.287 -0.104 0.000 1.012 511 K CB 0.312 32.785 32.500 -0.045 0.000 0.903 511 K HN 0.282 nan 8.250 nan 0.000 0.485 512 C N 2.638 121.870 119.300 -0.113 0.000 2.391 512 C HA 0.293 4.753 4.460 -0.000 0.000 0.339 512 C C 0.015 174.960 174.990 -0.075 0.000 1.205 512 C CA -0.794 58.134 59.018 -0.150 0.000 1.937 512 C CB 0.016 27.693 27.740 -0.105 0.000 2.341 512 C HN 0.819 nan 8.230 nan 0.000 0.516 513 H N 1.364 120.451 119.070 0.028 0.000 2.848 513 H HA 0.178 4.734 4.556 -0.000 0.000 0.341 513 H C -2.182 173.185 175.328 0.064 0.000 1.060 513 H CA -0.848 55.253 56.048 0.087 0.000 1.444 513 H CB -0.013 29.848 29.762 0.165 0.000 1.446 513 H HN 0.426 nan 8.280 nan 0.000 0.583 514 P HA -0.105 nan 4.420 nan 0.000 0.262 514 P C -0.368 176.976 177.300 0.075 0.000 1.182 514 P CA 0.414 63.571 63.100 0.094 0.000 0.761 514 P CB 0.278 32.030 31.700 0.088 0.000 0.795 515 N N -0.464 118.240 118.700 0.005 0.000 2.815 515 N HA -0.131 4.609 4.740 -0.000 0.000 0.249 515 N C -0.946 174.536 175.510 -0.047 0.000 1.114 515 N CA 1.108 54.136 53.050 -0.038 0.000 0.717 515 N CB -1.800 36.665 38.487 -0.036 0.000 1.074 515 N HN 0.250 nan 8.380 nan 0.000 0.555 516 S N -0.072 115.598 115.700 -0.051 0.000 2.472 516 S HA 0.466 4.936 4.470 -0.000 0.000 0.303 516 S C 1.362 175.806 174.600 -0.259 0.000 1.099 516 S CA -0.788 57.343 58.200 -0.116 0.000 1.077 516 S CB 2.013 65.198 63.200 -0.024 0.000 1.031 516 S HN 0.311 nan 8.310 nan 0.000 0.487 517 I N 2.191 122.475 120.570 -0.477 0.000 2.493 517 I HA 0.044 4.214 4.170 -0.000 0.000 0.254 517 I C -0.367 175.482 176.117 -0.446 0.000 1.160 517 I CA 1.178 62.140 61.300 -0.563 0.000 1.445 517 I CB 0.064 37.569 38.000 -0.825 0.000 1.086 517 I HN 0.696 nan 8.210 nan 0.000 0.433 518 F N -2.210 117.591 119.950 -0.249 0.000 2.779 518 F HA 0.655 5.182 4.527 0.000 0.000 0.316 518 F C 0.282 175.941 175.800 -0.235 0.000 1.164 518 F CA -1.105 56.746 58.000 -0.249 0.000 0.924 518 F CB -0.129 38.695 39.000 -0.292 0.000 1.348 518 F HN -0.261 nan 8.300 nan 0.000 0.467 519 G N -0.117 108.734 108.800 0.085 0.000 2.684 519 G HA2 0.211 4.171 3.960 -0.000 0.000 0.255 519 G HA3 0.211 4.171 3.960 -0.000 0.000 0.255 519 G C 0.436 175.289 174.900 -0.078 0.000 1.219 519 G CA 0.188 45.234 45.100 -0.089 0.000 0.901 519 G HN 1.060 nan 8.290 nan 0.000 0.548 520 E N -0.379 119.708 120.200 -0.190 0.000 2.065 520 E HA -0.199 4.151 4.350 -0.000 0.000 0.201 520 E C 2.510 179.124 176.600 0.023 0.000 1.016 520 E CA 1.793 58.159 56.400 -0.057 0.000 0.818 520 E CB -0.264 29.448 29.700 0.019 0.000 0.749 520 E HN 0.396 nan 8.360 nan 0.000 0.453 521 S N 0.173 115.894 115.700 0.034 0.000 2.370 521 S HA -0.214 4.256 4.470 -0.000 0.000 0.226 521 S C 1.795 176.342 174.600 -0.088 0.000 1.033 521 S CA 1.511 59.710 58.200 -0.000 0.000 1.011 521 S CB -0.313 62.939 63.200 0.086 0.000 0.852 521 S HN 0.308 nan 8.310 nan 0.000 0.457 522 M N 1.495 120.999 119.600 -0.160 0.000 2.108 522 M HA -0.061 4.419 4.480 -0.000 0.000 0.261 522 M C 1.617 177.771 176.300 -0.243 0.000 1.066 522 M CA 1.557 56.633 55.300 -0.372 0.000 1.107 522 M CB -0.497 31.571 32.600 -0.886 0.000 1.356 522 M HN 0.288 nan 8.290 nan 0.000 0.406 523 I N -0.676 119.885 120.570 -0.014 0.000 2.163 523 I HA -0.248 3.922 4.170 -0.000 0.000 0.240 523 I C 2.307 178.490 176.117 0.111 0.000 1.081 523 I CA 1.204 62.603 61.300 0.165 0.000 1.353 523 I CB -0.817 37.310 38.000 0.211 0.000 1.054 523 I HN 0.255 nan 8.210 nan 0.000 0.407 524 E N 0.411 120.659 120.200 0.079 0.000 2.106 524 E HA -0.198 4.152 4.350 -0.000 0.000 0.192 524 E C 2.217 178.849 176.600 0.053 0.000 0.984 524 E CA 1.417 57.873 56.400 0.094 0.000 0.806 524 E CB -0.146 29.614 29.700 0.100 0.000 0.750 524 E HN 0.495 nan 8.360 nan 0.000 0.458 525 M N -0.525 118.995 119.600 -0.133 0.000 2.193 525 M HA -0.030 4.450 4.480 -0.000 0.000 0.265 525 M C 2.145 178.304 176.300 -0.235 0.000 1.071 525 M CA 1.632 56.620 55.300 -0.521 0.000 1.140 525 M CB -0.043 32.225 32.600 -0.553 0.000 1.369 525 M HN 0.099 nan 8.290 nan 0.000 0.423 526 G N -1.032 107.772 108.800 0.006 0.000 2.494 526 G HA2 0.034 3.994 3.960 -0.000 0.000 0.216 526 G HA3 0.034 3.994 3.960 -0.000 0.000 0.216 526 G C 1.507 176.524 174.900 0.196 0.000 1.140 526 G CA 0.664 45.886 45.100 0.204 0.000 0.801 526 G HN 0.519 nan 8.290 nan 0.000 0.536 527 A N 1.805 124.721 122.820 0.160 0.000 1.902 527 A HA 0.049 4.369 4.320 -0.000 0.000 0.217 527 A C 0.645 178.301 177.584 0.119 0.000 1.181 527 A CA 1.777 53.920 52.037 0.176 0.000 0.623 527 A CB -1.102 18.001 19.000 0.173 0.000 0.818 527 A HN 0.348 nan 8.150 nan 0.000 0.443 528 P HA -0.097 nan 4.420 nan 0.000 0.218 528 P C 1.112 178.367 177.300 -0.076 0.000 1.149 528 P CA 0.949 64.043 63.100 -0.010 0.000 0.817 528 P CB -0.121 31.564 31.700 -0.025 0.000 0.785 529 F N -0.983 118.900 119.950 -0.111 0.000 2.149 529 F HA -0.096 4.431 4.527 -0.000 0.000 0.294 529 F C 2.552 178.063 175.800 -0.483 0.000 1.095 529 F CA 0.734 58.442 58.000 -0.487 0.000 1.276 529 F CB -0.550 37.794 39.000 -1.092 0.000 1.023 529 F HN -0.176 nan 8.300 nan 0.000 0.480 530 S N 0.641 116.327 115.700 -0.024 0.000 2.359 530 S HA -0.167 4.303 4.470 -0.000 0.000 0.224 530 S C 1.986 176.704 174.600 0.196 0.000 1.035 530 S CA 1.224 59.564 58.200 0.234 0.000 1.018 530 S CB -0.461 62.998 63.200 0.430 0.000 0.876 530 S HN 0.209 nan 8.310 nan 0.000 0.448 531 L N 0.913 122.236 121.223 0.166 0.000 2.109 531 L HA -0.041 4.299 4.340 -0.000 0.000 0.207 531 L C 2.423 179.407 176.870 0.189 0.000 1.086 531 L CA 1.087 56.028 54.840 0.169 0.000 0.760 531 L CB -0.471 41.673 42.059 0.141 0.000 0.910 531 L HN 0.205 nan 8.230 nan 0.000 0.437 532 K N 0.932 121.428 120.400 0.161 0.000 2.152 532 K HA -0.124 4.196 4.320 -0.000 0.000 0.206 532 K C 1.768 178.445 176.600 0.129 0.000 1.048 532 K CA 1.625 58.020 56.287 0.181 0.000 0.933 532 K CB -0.623 31.925 32.500 0.080 0.000 0.721 532 K HN 0.232 nan 8.250 nan 0.000 0.447 533 G N 0.840 109.687 108.800 0.078 0.000 2.551 533 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.214 533 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.214 533 G C 1.284 176.243 174.900 0.099 0.000 1.250 533 G CA 0.548 45.662 45.100 0.023 0.000 0.825 533 G HN 0.182 nan 8.290 nan 0.000 0.549 534 L N 0.303 121.615 121.223 0.148 0.000 1.991 534 L HA -0.109 4.231 4.340 -0.000 0.000 0.221 534 L C 2.814 179.807 176.870 0.205 0.000 1.079 534 L CA 1.450 56.388 54.840 0.164 0.000 0.778 534 L CB -1.119 41.034 42.059 0.158 0.000 0.893 534 L HN 0.158 nan 8.230 nan 0.000 0.437 535 L N -0.568 120.815 121.223 0.268 0.000 2.492 535 L HA 0.016 4.356 4.340 -0.000 0.000 0.223 535 L C 2.244 179.443 176.870 0.548 0.000 1.132 535 L CA 1.127 56.193 54.840 0.376 0.000 0.850 535 L CB -1.355 40.858 42.059 0.257 0.000 0.966 535 L HN 0.310 nan 8.230 nan 0.000 0.454 536 G N -0.410 108.613 108.800 0.372 0.000 2.848 536 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.208 536 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.208 536 G C 0.825 175.862 174.900 0.228 0.000 1.152 536 G CA -0.239 44.981 45.100 0.199 0.000 0.789 536 G HN 0.287 nan 8.290 nan 0.000 0.531 537 N N 1.169 120.025 118.700 0.261 0.000 2.497 537 N HA 0.082 4.822 4.740 -0.000 0.000 0.268 537 N C -0.999 174.629 175.510 0.196 0.000 1.171 537 N CA -1.475 51.695 53.050 0.200 0.000 0.948 537 N CB 2.169 40.770 38.487 0.192 0.000 1.069 537 N HN -0.070 nan 8.380 nan 0.000 0.460 538 P HA -0.182 nan 4.420 nan 0.000 0.217 538 P C 1.499 178.783 177.300 -0.025 0.000 1.148 538 P CA 1.271 64.320 63.100 -0.084 0.000 0.828 538 P CB -0.090 31.570 31.700 -0.067 0.000 0.783 539 I N -3.327 117.413 120.570 0.282 0.000 2.916 539 I HA -0.099 4.071 4.170 -0.000 0.000 0.267 539 I C 1.770 178.115 176.117 0.381 0.000 1.263 539 I CA 1.150 62.727 61.300 0.463 0.000 1.471 539 I CB -1.038 37.259 38.000 0.495 0.000 1.089 539 I HN -0.151 nan 8.210 nan 0.000 0.468 540 C N 1.335 120.717 119.300 0.138 0.000 2.514 540 C HA 0.106 4.566 4.460 -0.000 0.000 0.271 540 C C 1.984 176.850 174.990 -0.207 0.000 1.399 540 C CA 0.473 59.487 59.018 -0.006 0.000 1.765 540 C CB -1.315 26.571 27.740 0.242 0.000 1.893 540 C HN 0.751 nan 8.230 nan 0.000 0.531 541 S N 1.795 117.059 115.700 -0.726 0.000 2.584 541 S HA 0.139 4.609 4.470 -0.000 0.000 0.270 541 S C -1.635 172.761 174.600 -0.340 0.000 1.346 541 S CA -0.509 56.947 58.200 -1.241 0.000 1.018 541 S CB 0.538 62.958 63.200 -1.301 0.000 0.899 541 S HN 0.097 nan 8.310 nan 0.000 0.542 542 P HA -0.081 nan 4.420 nan 0.000 0.215 542 P C 1.449 178.690 177.300 -0.099 0.000 1.153 542 P CA 1.149 63.916 63.100 -0.555 0.000 0.853 542 P CB 0.034 31.216 31.700 -0.863 0.000 0.788 543 E N -1.128 118.998 120.200 -0.123 0.000 2.058 543 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 543 E C 1.863 178.626 176.600 0.271 0.000 0.997 543 E CA 1.717 58.134 56.400 0.029 0.000 0.801 543 E CB -0.869 28.794 29.700 -0.063 0.000 0.746 543 E HN 0.416 nan 8.360 nan 0.000 0.450 544 Y N -2.240 118.070 120.300 0.017 0.000 2.389 544 Y HA -0.017 4.533 4.550 -0.000 0.000 0.292 544 Y C 1.387 177.404 175.900 0.195 0.000 1.117 544 Y CA -0.422 57.707 58.100 0.048 0.000 1.195 544 Y CB -0.111 38.364 38.460 0.024 0.000 1.076 544 Y HN 0.134 nan 8.280 nan 0.000 0.548 545 W N 4.186 125.656 121.300 0.284 0.000 2.688 545 W HA -0.025 4.635 4.660 -0.000 0.000 0.377 545 W C -0.567 176.203 176.519 0.419 0.000 0.970 545 W CA 0.608 58.198 57.345 0.408 0.000 2.113 545 W CB -0.539 29.230 29.460 0.515 0.000 0.796 545 W HN 0.103 nan 8.180 nan 0.000 0.636 546 K N -0.336 120.141 120.400 0.129 0.000 2.185 546 K HA 0.443 4.763 4.320 -0.000 0.000 0.240 546 K C 0.858 177.330 176.600 -0.214 0.000 0.983 546 K CA -0.328 56.006 56.287 0.079 0.000 0.873 546 K CB 1.372 33.923 32.500 0.085 0.000 1.118 546 K HN -0.118 nan 8.250 nan 0.000 0.441 547 A N 0.640 123.476 122.820 0.027 0.000 2.119 547 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 547 A C 1.973 179.558 177.584 0.002 0.000 1.153 547 A CA 1.739 53.783 52.037 0.011 0.000 0.692 547 A CB -0.686 18.498 19.000 0.307 0.000 0.799 547 A HN 0.748 nan 8.150 nan 0.000 0.458 548 S N -0.938 114.760 115.700 -0.004 0.000 2.406 548 S HA -0.122 4.348 4.470 -0.000 0.000 0.228 548 S C 1.721 176.260 174.600 -0.101 0.000 1.020 548 S CA 1.689 59.890 58.200 0.002 0.000 0.965 548 S CB -1.052 62.153 63.200 0.009 0.000 0.798 548 S HN 0.427 nan 8.310 nan 0.000 0.488 549 T N 1.391 115.791 114.554 -0.256 0.000 2.881 549 T HA 0.062 4.412 4.350 -0.000 0.000 0.270 549 T C 0.226 174.513 174.700 -0.687 0.000 1.068 549 T CA 1.036 62.812 62.100 -0.540 0.000 1.131 549 T CB -0.463 67.946 68.868 -0.766 0.000 0.871 549 T HN 0.574 nan 8.240 nan 0.000 0.479 550 F N 0.864 120.673 119.950 -0.235 0.000 2.850 550 F HA 0.476 5.003 4.527 -0.000 0.000 0.306 550 F C 1.326 177.106 175.800 -0.033 0.000 1.162 550 F CA -1.288 56.620 58.000 -0.154 0.000 1.327 550 F CB -0.340 38.521 39.000 -0.232 0.000 0.953 550 F HN 0.061 nan 8.300 nan 0.000 0.507 551 G N 1.230 110.111 108.800 0.135 0.000 2.381 551 G HA2 0.217 4.177 3.960 -0.000 0.000 0.206 551 G HA3 0.217 4.177 3.960 -0.000 0.000 0.206 551 G C 0.647 175.674 174.900 0.210 0.000 0.274 551 G CA 0.388 45.612 45.100 0.207 0.000 1.035 551 G HN 1.233 nan 8.290 nan 0.000 0.449 552 G N 1.350 110.290 108.800 0.234 0.000 2.710 552 G HA2 0.174 4.133 3.960 -0.000 0.000 0.668 552 G HA3 0.174 4.133 3.960 -0.000 0.000 0.668 552 G C 0.416 175.401 174.900 0.143 0.000 1.320 552 G CA 0.687 45.897 45.100 0.183 0.000 0.860 552 G HN 1.462 nan 8.290 nan 0.000 0.538 553 E N -0.952 119.312 120.200 0.105 0.000 2.299 553 E HA 0.100 4.450 4.350 -0.000 0.000 0.193 553 E C 2.646 179.305 176.600 0.098 0.000 0.998 553 E CA 1.951 58.418 56.400 0.112 0.000 0.851 553 E CB 0.027 29.765 29.700 0.062 0.000 0.795 553 E HN 1.135 nan 8.360 nan 0.000 0.492 554 V N -1.314 118.644 119.914 0.072 0.000 2.407 554 V HA -0.053 4.067 4.120 -0.000 0.000 0.248 554 V C 2.266 178.402 176.094 0.070 0.000 1.055 554 V CA 1.746 64.079 62.300 0.055 0.000 1.049 554 V CB -1.442 30.402 31.823 0.035 0.000 0.662 554 V HN 0.287 nan 8.190 nan 0.000 0.455 555 G N -0.767 108.093 108.800 0.101 0.000 2.404 555 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.215 555 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.215 555 G C 1.423 176.316 174.900 -0.011 0.000 1.174 555 G CA 0.922 46.085 45.100 0.104 0.000 0.780 555 G HN 0.379 nan 8.290 nan 0.000 0.537 556 F N 2.446 122.288 119.950 -0.179 0.000 2.069 556 F HA -0.097 4.430 4.527 -0.000 0.000 0.298 556 F C 2.560 178.189 175.800 -0.284 0.000 1.113 556 F CA 1.218 58.968 58.000 -0.416 0.000 1.214 556 F CB -0.580 38.236 39.000 -0.308 0.000 0.978 556 F HN 0.105 nan 8.300 nan 0.000 0.474 557 N N 0.487 119.228 118.700 0.069 0.000 2.205 557 N HA -0.193 4.547 4.740 -0.000 0.000 0.186 557 N C 2.183 177.707 175.510 0.023 0.000 1.015 557 N CA 1.120 54.172 53.050 0.003 0.000 0.862 557 N CB -0.598 37.890 38.487 0.001 0.000 0.986 557 N HN 0.333 nan 8.380 nan 0.000 0.429 558 L N 0.682 121.925 121.223 0.032 0.000 2.046 558 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 558 L C 2.211 179.123 176.870 0.071 0.000 1.077 558 L CA 0.928 55.799 54.840 0.050 0.000 0.747 558 L CB -0.393 41.702 42.059 0.059 0.000 0.896 558 L HN -0.019 nan 8.230 nan 0.000 0.432 559 V N -0.438 119.497 119.914 0.035 0.000 2.427 559 V HA -0.250 3.870 4.120 -0.000 0.000 0.248 559 V C 2.252 178.477 176.094 0.218 0.000 1.051 559 V CA 1.590 63.959 62.300 0.115 0.000 1.048 559 V CB -0.556 31.261 31.823 -0.010 0.000 0.666 559 V HN 0.411 nan 8.190 nan 0.000 0.456 560 K N 0.481 120.962 120.400 0.135 0.000 2.296 560 K HA -0.045 4.275 4.320 -0.000 0.000 0.200 560 K C 1.632 178.293 176.600 0.101 0.000 1.048 560 K CA 1.555 57.914 56.287 0.119 0.000 0.966 560 K CB -0.068 32.409 32.500 -0.039 0.000 0.754 560 K HN 0.690 nan 8.250 nan 0.000 0.466 561 T N -2.502 112.101 114.554 0.081 0.000 3.145 561 T HA 0.391 4.741 4.350 -0.000 0.000 0.281 561 T C 0.376 175.117 174.700 0.068 0.000 1.003 561 T CA -0.578 61.560 62.100 0.062 0.000 0.901 561 T CB 0.454 69.342 68.868 0.033 0.000 1.112 561 T HN 0.045 nan 8.240 nan 0.000 0.535 562 A N 1.577 124.456 122.820 0.098 0.000 2.531 562 A HA 0.535 4.855 4.320 -0.000 0.000 0.236 562 A C 0.450 178.073 177.584 0.065 0.000 1.062 562 A CA 0.196 52.291 52.037 0.097 0.000 0.760 562 A CB -0.079 19.009 19.000 0.148 0.000 0.995 562 A HN 0.466 nan 8.150 nan 0.000 0.501 563 T N 1.643 116.217 114.554 0.033 0.000 2.841 563 T HA 0.389 4.739 4.350 -0.000 0.000 0.296 563 T C 1.192 175.866 174.700 -0.044 0.000 1.166 563 T CA -0.631 61.459 62.100 -0.017 0.000 1.007 563 T CB 1.211 70.060 68.868 -0.030 0.000 1.253 563 T HN 0.517 nan 8.240 nan 0.000 0.511 564 L N 0.937 122.089 121.223 -0.119 0.000 2.068 564 L HA 0.070 4.410 4.340 -0.000 0.000 0.204 564 L C 2.552 179.364 176.870 -0.097 0.000 1.076 564 L CA 1.605 56.368 54.840 -0.128 0.000 0.753 564 L CB -0.289 41.582 42.059 -0.313 0.000 0.910 564 L HN 0.690 nan 8.230 nan 0.000 0.439 565 K N 0.325 120.658 120.400 -0.113 0.000 2.160 565 K HA -0.229 4.091 4.320 -0.000 0.000 0.206 565 K C 1.951 178.516 176.600 -0.059 0.000 1.047 565 K CA 1.645 57.879 56.287 -0.089 0.000 0.930 565 K CB 0.079 32.530 32.500 -0.082 0.000 0.720 565 K HN 0.263 nan 8.250 nan 0.000 0.450 566 K N -0.226 120.146 120.400 -0.047 0.000 2.186 566 K HA -0.041 4.279 4.320 -0.000 0.000 0.202 566 K C 1.921 178.494 176.600 -0.044 0.000 1.052 566 K CA 0.641 56.910 56.287 -0.031 0.000 0.965 566 K CB -0.035 32.459 32.500 -0.010 0.000 0.746 566 K HN 0.066 nan 8.250 nan 0.000 0.457 567 L N 0.940 122.122 121.223 -0.069 0.000 2.141 567 L HA -0.134 4.206 4.340 -0.000 0.000 0.209 567 L C 1.847 178.631 176.870 -0.143 0.000 1.094 567 L CA 1.363 56.121 54.840 -0.138 0.000 0.763 567 L CB -0.025 41.892 42.059 -0.237 0.000 0.908 567 L HN -0.105 nan 8.230 nan 0.000 0.437 568 V N -1.968 117.885 119.914 -0.101 0.000 2.339 568 V HA -0.215 3.905 4.120 -0.000 0.000 0.234 568 V C 2.301 178.359 176.094 -0.061 0.000 1.053 568 V CA 1.470 63.718 62.300 -0.086 0.000 1.042 568 V CB -0.411 31.373 31.823 -0.064 0.000 0.678 568 V HN 0.468 nan 8.190 nan 0.000 0.475 569 c N 0.362 118.935 118.600 -0.045 0.000 2.402 569 c HA -0.086 4.484 4.570 -0.000 0.000 0.301 569 c C 2.460 176.536 174.090 -0.022 0.000 1.455 569 c CA 0.526 56.838 56.329 -0.028 0.000 1.787 569 c CB -1.480 41.017 42.510 -0.021 0.000 1.726 569 c HN 0.487 nan 8.230 nan 0.000 0.565 570 L N 0.734 121.940 121.223 -0.028 0.000 2.298 570 L HA 0.153 4.493 4.340 -0.000 0.000 0.209 570 L C 1.554 178.412 176.870 -0.020 0.000 1.084 570 L CA 1.644 56.473 54.840 -0.017 0.000 0.816 570 L CB -0.436 41.615 42.059 -0.013 0.000 0.967 570 L HN 0.313 nan 8.230 nan 0.000 0.460 571 N N -0.512 118.165 118.700 -0.037 0.000 2.320 571 N HA 0.101 4.841 4.740 -0.000 0.000 0.237 571 N C 0.230 175.712 175.510 -0.048 0.000 1.129 571 N CA 0.396 53.419 53.050 -0.044 0.000 0.854 571 N CB 0.449 38.897 38.487 -0.064 0.000 1.083 571 N HN 0.381 nan 8.380 nan 0.000 0.504 572 T N -4.698 109.837 114.554 -0.031 0.000 2.831 572 T HA 0.596 4.946 4.350 -0.000 0.000 0.287 572 T C 1.105 175.803 174.700 -0.003 0.000 1.070 572 T CA -0.412 61.675 62.100 -0.022 0.000 1.010 572 T CB 1.755 70.612 68.868 -0.019 0.000 1.264 572 T HN -0.026 nan 8.240 nan 0.000 0.532 573 K N 0.271 120.676 120.400 0.009 0.000 2.108 573 K HA 0.412 4.732 4.320 -0.000 0.000 0.204 573 K C 1.378 177.989 176.600 0.018 0.000 1.036 573 K CA 1.322 57.620 56.287 0.018 0.000 0.965 573 K CB -1.142 31.375 32.500 0.028 0.000 0.804 573 K HN 1.052 nan 8.250 nan 0.000 0.454 574 T N -1.827 112.740 114.554 0.021 0.000 2.895 574 T HA 0.404 4.754 4.350 -0.000 0.000 0.283 574 T C -0.133 174.578 174.700 0.019 0.000 1.014 574 T CA -0.737 61.377 62.100 0.023 0.000 1.037 574 T CB 1.306 70.192 68.868 0.030 0.000 1.006 574 T HN 0.301 nan 8.240 nan 0.000 0.468 575 c N 6.054 124.666 118.600 0.020 0.000 2.192 575 c HA 0.454 5.024 4.570 -0.000 0.000 0.337 575 c C -1.066 173.044 174.090 0.033 0.000 1.103 575 c CA -1.564 54.775 56.329 0.017 0.000 1.581 575 c CB -1.209 41.309 42.510 0.014 0.000 2.070 575 c HN 0.808 nan 8.230 nan 0.000 0.485 576 P HA 0.085 nan 4.420 nan 0.000 0.312 576 P C -1.295 176.060 177.300 0.093 0.000 1.307 576 P CA -0.153 62.984 63.100 0.062 0.000 0.738 576 P CB 0.416 32.144 31.700 0.047 0.000 1.422 577 Y N 0.280 120.580 120.300 0.001 0.000 2.417 577 Y HA 0.473 5.023 4.550 -0.000 0.000 0.336 577 Y C -0.922 174.983 175.900 0.009 0.000 0.961 577 Y CA -0.881 57.216 58.100 -0.005 0.000 1.215 577 Y CB 0.468 38.920 38.460 -0.014 0.000 1.120 577 Y HN 0.145 nan 8.280 nan 0.000 0.499 578 V N 6.706 126.281 119.914 -0.564 0.000 2.555 578 V HA 0.908 5.028 4.120 -0.000 0.000 0.302 578 V C -1.065 174.672 176.094 -0.596 0.000 1.038 578 V CA 0.454 62.491 62.300 -0.440 0.000 0.887 578 V CB 1.460 33.181 31.823 -0.170 0.000 0.991 578 V HN 0.974 nan 8.190 nan 0.000 0.434 579 S N 5.453 120.909 115.700 -0.407 0.000 2.633 579 S HA 0.405 4.875 4.470 -0.000 0.000 0.271 579 S C -0.372 174.270 174.600 0.071 0.000 1.112 579 S CA -0.581 57.424 58.200 -0.326 0.000 0.828 579 S CB 0.609 63.450 63.200 -0.598 0.000 1.086 579 S HN 0.643 nan 8.310 nan 0.000 0.461 580 F N 2.370 122.287 119.950 -0.055 0.000 2.732 580 F HA 0.245 4.772 4.527 -0.000 0.000 0.303 580 F C 1.109 176.930 175.800 0.035 0.000 1.110 580 F CA -0.147 57.909 58.000 0.094 0.000 1.355 580 F CB 0.109 39.207 39.000 0.163 0.000 1.081 580 F HN 0.660 nan 8.300 nan 0.000 0.565 581 H N -2.191 116.982 119.070 0.171 0.000 2.974 581 H HA 0.241 4.797 4.556 -0.000 0.000 0.366 581 H C -1.013 174.407 175.328 0.153 0.000 1.155 581 H CA -0.883 55.211 56.048 0.077 0.000 1.186 581 H CB 1.112 30.871 29.762 -0.004 0.000 1.799 581 H HN -0.151 nan 8.280 nan 0.000 0.541 582 V N 3.532 123.538 119.914 0.152 0.000 2.814 582 V HA 0.089 4.209 4.120 -0.000 0.000 0.307 582 V C -1.867 174.320 176.094 0.156 0.000 1.089 582 V CA -0.614 61.772 62.300 0.142 0.000 1.212 582 V CB 0.375 32.253 31.823 0.092 0.000 0.912 582 V HN 0.755 nan 8.190 nan 0.000 0.497 583 P HA 0.185 nan 4.420 nan 0.000 0.272 583 P C -0.259 177.017 177.300 -0.041 0.000 1.223 583 P CA 0.334 63.371 63.100 -0.106 0.000 0.784 583 P CB 0.573 31.875 31.700 -0.665 0.000 0.923 584 D N 0.000 120.390 120.400 -0.017 0.000 6.856 584 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 584 D CA 0.000 53.989 54.000 -0.018 0.000 0.868 584 D CB 0.000 40.769 40.800 -0.052 0.000 0.688 584 D HN 0.000 nan 8.370 nan 0.000 0.683