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 3n8z_1_B 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 0.000 177.318 177.300 0.029 0.000 1.155 32 P CA 0.000 63.117 63.100 0.029 0.000 0.800 32 P CB 0.000 31.716 31.700 0.027 0.000 0.726 33 V N 1.776 121.719 119.914 0.047 0.000 2.427 33 V HA 0.443 4.564 4.120 0.002 0.000 0.286 33 V C -0.003 176.130 176.094 0.065 0.000 1.034 33 V CA -0.513 61.818 62.300 0.051 0.000 0.893 33 V CB 1.409 33.287 31.823 0.092 0.000 0.982 33 V HN 0.754 nan 8.190 nan 0.000 0.452 34 N N 8.565 127.276 118.700 0.018 0.000 2.431 34 N HA 0.313 5.054 4.740 0.002 0.000 0.265 34 N C -1.400 174.138 175.510 0.046 0.000 1.184 34 N CA -1.567 51.491 53.050 0.013 0.000 0.943 34 N CB 1.445 39.911 38.487 -0.036 0.000 1.080 34 N HN 0.447 nan 8.380 nan 0.000 0.477 35 P HA -0.054 nan 4.420 nan 0.000 0.221 35 P C 0.663 177.943 177.300 -0.033 0.000 1.150 35 P CA 0.765 63.914 63.100 0.082 0.000 0.800 35 P CB 0.073 31.763 31.700 -0.018 0.000 0.787 36 c N -0.926 117.631 118.600 -0.071 0.000 2.472 36 c HA -0.008 4.564 4.570 0.002 0.000 0.278 36 c C 2.853 176.770 174.090 -0.289 0.000 1.447 36 c CA 0.217 56.471 56.329 -0.125 0.000 1.773 36 c CB -2.168 40.312 42.510 -0.051 0.000 1.793 36 c HN 0.343 nan 8.230 nan 0.000 0.544 37 c N -0.741 117.646 118.600 -0.354 0.000 2.446 37 c HA -0.079 4.492 4.570 0.002 0.000 0.279 37 c C 2.078 175.595 174.090 -0.954 0.000 1.366 37 c CA 0.567 56.505 56.329 -0.651 0.000 1.763 37 c CB -1.596 40.594 42.510 -0.533 0.000 1.929 37 c HN 0.684 nan 8.230 nan 0.000 0.509 38 Y N -1.039 118.947 120.300 -0.524 0.000 2.578 38 Y HA 0.070 4.622 4.550 0.002 0.000 0.297 38 Y C 0.573 176.304 175.900 -0.281 0.000 1.176 38 Y CA 0.092 57.969 58.100 -0.372 0.000 1.315 38 Y CB -1.048 37.255 38.460 -0.261 0.000 1.031 38 Y HN 0.316 nan 8.280 nan 0.000 0.524 39 Y N -1.090 119.199 120.300 -0.019 0.000 2.980 39 Y HA -0.229 4.322 4.550 0.002 0.000 0.199 39 Y C -1.702 174.162 175.900 -0.060 0.000 1.319 39 Y CA -0.725 57.340 58.100 -0.057 0.000 0.877 39 Y CB -1.707 36.707 38.460 -0.077 0.000 1.259 39 Y HN 0.210 nan 8.280 nan 0.000 0.437 40 P HA -0.024 nan 4.420 nan 0.000 0.222 40 P C 0.198 177.518 177.300 0.032 0.000 1.153 40 P CA 0.865 63.934 63.100 -0.052 0.000 0.798 40 P CB 0.268 31.778 31.700 -0.317 0.000 0.796 41 c N 3.114 121.751 118.600 0.061 0.000 2.442 41 c HA 0.327 4.899 4.570 0.002 0.000 0.362 41 c C 0.762 174.845 174.090 -0.011 0.000 1.242 41 c CA -0.691 55.679 56.329 0.068 0.000 1.741 41 c CB -1.199 41.374 42.510 0.105 0.000 2.378 41 c HN 0.256 nan 8.230 nan 0.000 0.549 42 Q N 0.579 120.337 119.800 -0.071 0.000 2.212 42 Q HA 0.245 4.587 4.340 0.002 0.000 0.238 42 Q C 0.311 176.169 176.000 -0.237 0.000 0.955 42 Q CA -0.305 55.347 55.803 -0.252 0.000 0.906 42 Q CB 0.286 28.786 28.738 -0.396 0.000 1.215 42 Q HN 0.921 nan 8.270 nan 0.000 0.478 43 H N 0.630 119.571 119.070 -0.215 0.000 2.748 43 H HA -0.197 4.360 4.556 0.002 0.000 0.322 43 H C -0.337 174.935 175.328 -0.094 0.000 1.208 43 H CA 0.742 56.657 56.048 -0.221 0.000 1.151 43 H CB -1.651 27.786 29.762 -0.542 0.000 1.505 43 H HN 0.668 nan 8.280 nan 0.000 0.429 44 Q N -2.847 116.946 119.800 -0.012 0.000 2.489 44 Q HA -0.154 4.187 4.340 0.002 0.000 0.259 44 Q C 0.916 176.946 176.000 0.050 0.000 0.934 44 Q CA 0.781 56.590 55.803 0.009 0.000 1.131 44 Q CB -1.314 27.432 28.738 0.014 0.000 1.472 44 Q HN 0.785 nan 8.270 nan 0.000 0.560 45 G N 0.646 109.475 108.800 0.049 0.000 2.432 45 G HA2 0.485 4.447 3.960 0.002 0.000 0.257 45 G HA3 0.485 4.447 3.960 0.002 0.000 0.257 45 G C -0.056 174.898 174.900 0.090 0.000 1.238 45 G CA -0.487 44.660 45.100 0.079 0.000 0.838 45 G HN 0.217 nan 8.290 nan 0.000 0.547 46 I N 1.505 122.144 120.570 0.114 0.000 2.304 46 I HA 0.142 4.314 4.170 0.002 0.000 0.291 46 I C 0.431 176.631 176.117 0.137 0.000 1.018 46 I CA -0.522 60.855 61.300 0.128 0.000 1.260 46 I CB 1.373 39.465 38.000 0.153 0.000 1.390 46 I HN 0.331 nan 8.210 nan 0.000 0.475 47 c N 8.031 126.703 118.600 0.120 0.000 2.566 47 c HA 0.464 5.036 4.570 0.002 0.000 0.393 47 c C 0.278 174.445 174.090 0.128 0.000 1.309 47 c CA -0.158 56.260 56.329 0.149 0.000 1.801 47 c CB -0.763 41.810 42.510 0.104 0.000 2.493 47 c HN 0.563 nan 8.230 nan 0.000 0.575 48 V N 7.569 127.593 119.914 0.182 0.000 2.540 48 V HA 0.464 4.585 4.120 0.002 0.000 0.302 48 V C 0.072 176.231 176.094 0.108 0.000 1.035 48 V CA -0.672 61.682 62.300 0.089 0.000 0.873 48 V CB 1.609 33.482 31.823 0.083 0.000 0.992 48 V HN 0.799 nan 8.190 nan 0.000 0.428 49 R N 3.576 124.047 120.500 -0.049 0.000 2.220 49 R HA 0.464 4.806 4.340 0.002 0.000 0.340 49 R C -1.363 174.850 176.300 -0.145 0.000 1.076 49 R CA -0.154 55.946 56.100 -0.000 0.000 0.920 49 R CB 0.181 30.470 30.300 -0.018 0.000 1.062 49 R HN 0.566 nan 8.270 nan 0.000 0.469 50 F N 3.579 123.545 119.950 0.027 0.000 2.421 50 F HA 0.457 4.986 4.527 0.002 0.000 0.337 50 F C 1.432 177.237 175.800 0.008 0.000 1.105 50 F CA 0.741 58.744 58.000 0.005 0.000 1.049 50 F CB 1.879 40.873 39.000 -0.011 0.000 1.139 50 F HN 0.854 nan 8.300 nan 0.000 0.479 51 G N 2.664 111.559 108.800 0.157 0.000 2.564 51 G HA2 -0.306 3.656 3.960 0.002 0.000 0.273 51 G HA3 -0.306 3.656 3.960 0.002 0.000 0.273 51 G C 0.670 175.608 174.900 0.063 0.000 1.242 51 G CA 0.322 45.480 45.100 0.097 0.000 0.951 51 G HN 0.628 nan 8.290 nan 0.000 0.564 52 L N 0.623 121.880 121.223 0.057 0.000 2.084 52 L HA 0.229 4.571 4.340 0.002 0.000 0.202 52 L C 1.858 178.761 176.870 0.054 0.000 1.074 52 L CA 1.961 56.828 54.840 0.044 0.000 0.757 52 L CB -0.223 41.857 42.059 0.035 0.000 0.918 52 L HN 0.763 nan 8.230 nan 0.000 0.444 53 D N -1.817 118.624 120.400 0.069 0.000 2.760 53 D HA 0.144 4.785 4.640 0.002 0.000 0.314 53 D C 0.174 176.548 176.300 0.124 0.000 1.464 53 D CA -0.319 53.731 54.000 0.085 0.000 0.797 53 D CB 0.200 41.041 40.800 0.067 0.000 1.149 53 D HN 0.006 nan 8.370 nan 0.000 0.455 54 R N 0.176 120.761 120.500 0.142 0.000 2.668 54 R HA 0.659 5.000 4.340 0.002 0.000 0.279 54 R C -0.955 175.506 176.300 0.268 0.000 0.976 54 R CA -0.903 55.299 56.100 0.170 0.000 0.978 54 R CB 1.497 31.852 30.300 0.091 0.000 1.133 54 R HN 0.252 nan 8.270 nan 0.000 0.484 55 Y N -1.642 118.719 120.300 0.100 0.000 2.576 55 Y HA 0.577 5.129 4.550 0.002 0.000 0.346 55 Y C -1.284 174.693 175.900 0.127 0.000 1.018 55 Y CA -1.088 57.095 58.100 0.139 0.000 1.050 55 Y CB 1.874 40.384 38.460 0.083 0.000 1.280 55 Y HN 0.378 nan 8.280 nan 0.000 0.474 56 Q N 2.130 122.026 119.800 0.160 0.000 2.289 56 Q HA 0.519 4.860 4.340 0.002 0.000 0.270 56 Q C -1.712 174.388 176.000 0.167 0.000 1.038 56 Q CA -0.854 54.944 55.803 -0.008 0.000 0.812 56 Q CB 2.687 31.370 28.738 -0.092 0.000 1.300 56 Q HN 0.909 nan 8.270 nan 0.000 0.427 57 c N 1.587 120.252 118.600 0.108 0.000 2.347 57 c HA 0.239 4.810 4.570 0.002 0.000 0.353 57 c C 0.287 174.442 174.090 0.107 0.000 1.273 57 c CA -0.468 55.950 56.329 0.149 0.000 1.861 57 c CB 0.132 42.735 42.510 0.156 0.000 2.420 57 c HN 0.721 nan 8.230 nan 0.000 0.542 58 D N 2.058 122.532 120.400 0.123 0.000 2.522 58 D HA 0.202 4.844 4.640 0.002 0.000 0.218 58 D C -0.261 176.097 176.300 0.098 0.000 1.149 58 D CA -0.267 53.796 54.000 0.106 0.000 0.981 58 D CB 0.013 40.885 40.800 0.119 0.000 1.041 58 D HN 0.617 nan 8.370 nan 0.000 0.518 59 c N 3.851 122.506 118.600 0.091 0.000 2.518 59 c HA 0.353 4.924 4.570 0.002 0.000 0.456 59 c C 0.357 174.502 174.090 0.092 0.000 1.016 59 c CA -0.644 55.748 56.329 0.106 0.000 1.210 59 c CB -1.510 41.072 42.510 0.120 0.000 1.542 59 c HN 0.438 nan 8.230 nan 0.000 0.545 60 T N 1.873 116.478 114.554 0.085 0.000 2.812 60 T HA 0.405 4.756 4.350 0.002 0.000 0.282 60 T C 0.511 175.250 174.700 0.065 0.000 0.990 60 T CA -0.597 61.543 62.100 0.067 0.000 0.960 60 T CB 0.914 69.815 68.868 0.056 0.000 0.948 60 T HN 0.655 nan 8.240 nan 0.000 0.438 61 R N 0.678 121.213 120.500 0.058 0.000 3.610 61 R HA -0.200 4.141 4.340 0.002 0.000 0.274 61 R C 1.140 177.481 176.300 0.069 0.000 1.123 61 R CA 1.164 57.295 56.100 0.050 0.000 0.747 61 R CB -2.202 28.116 30.300 0.031 0.000 1.149 61 R HN 0.877 nan 8.270 nan 0.000 0.471 62 T N -5.100 109.520 114.554 0.108 0.000 3.014 62 T HA 0.294 4.645 4.350 0.002 0.000 0.250 62 T C 1.408 176.237 174.700 0.215 0.000 1.060 62 T CA 0.620 62.825 62.100 0.174 0.000 1.040 62 T CB 1.084 70.086 68.868 0.223 0.000 0.971 62 T HN 0.603 nan 8.240 nan 0.000 0.497 63 G N 0.467 109.324 108.800 0.095 0.000 2.157 63 G HA2 -0.199 3.762 3.960 0.002 0.000 0.248 63 G HA3 -0.199 3.762 3.960 0.002 0.000 0.248 63 G C -0.243 174.473 174.900 -0.306 0.000 0.979 63 G CA 0.056 45.102 45.100 -0.089 0.000 0.650 63 G HN 0.620 nan 8.290 nan 0.000 0.529 64 Y N 0.474 120.783 120.300 0.016 0.000 2.545 64 Y HA 0.688 5.239 4.550 0.003 0.000 0.348 64 Y C 0.607 176.527 175.900 0.032 0.000 1.002 64 Y CA -0.218 57.892 58.100 0.016 0.000 1.039 64 Y CB 2.300 40.773 38.460 0.021 0.000 1.271 64 Y HN 0.483 nan 8.280 nan 0.000 0.467 65 S N 0.183 115.992 115.700 0.181 0.000 2.841 65 S HA 0.977 5.448 4.470 0.002 0.000 0.318 65 S C -0.001 174.665 174.600 0.110 0.000 1.127 65 S CA -0.363 57.904 58.200 0.111 0.000 0.883 65 S CB 1.609 64.840 63.200 0.053 0.000 1.271 65 S HN 1.756 nan 8.310 nan 0.000 0.567 66 G N 0.472 109.310 108.800 0.063 0.000 2.631 66 G HA2 0.002 3.963 3.960 0.002 0.000 0.504 66 G HA3 0.002 3.963 3.960 0.002 0.000 0.504 66 G C -2.437 172.485 174.900 0.036 0.000 1.306 66 G CA -0.253 44.875 45.100 0.047 0.000 0.897 66 G HN 0.659 nan 8.290 nan 0.000 0.520 67 P HA 0.069 nan 4.420 nan 0.000 0.218 67 P C 1.065 178.400 177.300 0.059 0.000 1.149 67 P CA 1.429 64.528 63.100 -0.002 0.000 0.817 67 P CB 0.092 31.786 31.700 -0.011 0.000 0.785 68 N N -2.647 116.110 118.700 0.095 0.000 2.194 68 N HA 0.086 4.827 4.740 0.002 0.000 0.231 68 N C -0.652 174.915 175.510 0.094 0.000 1.247 68 N CA -0.059 53.066 53.050 0.125 0.000 0.884 68 N CB -0.120 38.440 38.487 0.122 0.000 1.146 68 N HN -0.048 nan 8.380 nan 0.000 0.516 69 c N 0.728 119.393 118.600 0.109 0.000 4.209 69 c HA -0.117 4.455 4.570 0.002 0.000 0.305 69 c C 1.696 175.852 174.090 0.109 0.000 1.339 69 c CA 1.014 57.426 56.329 0.139 0.000 2.062 69 c CB -3.069 39.509 42.510 0.114 0.000 1.307 69 c HN 0.609 nan 8.230 nan 0.000 0.706 70 T N -4.302 110.353 114.554 0.168 0.000 2.955 70 T HA 0.302 4.653 4.350 0.002 0.000 0.251 70 T C 0.416 175.313 174.700 0.328 0.000 1.002 70 T CA -0.075 62.142 62.100 0.195 0.000 0.970 70 T CB 0.310 69.255 68.868 0.128 0.000 1.091 70 T HN 0.461 nan 8.240 nan 0.000 0.495 71 I N 5.147 125.875 120.570 0.262 0.000 2.406 71 I HA 0.309 4.480 4.170 0.002 0.000 0.293 71 I C -2.469 173.752 176.117 0.172 0.000 1.101 71 I CA -2.728 58.680 61.300 0.180 0.000 1.334 71 I CB -0.001 38.052 38.000 0.088 0.000 1.421 71 I HN 0.125 nan 8.210 nan 0.000 0.513 72 P HA 0.275 nan 4.420 nan 0.000 0.284 72 P C -0.273 176.934 177.300 -0.155 0.000 1.253 72 P CA -0.495 62.486 63.100 -0.199 0.000 0.800 72 P CB 1.094 32.738 31.700 -0.093 0.000 0.961 73 E N 1.090 121.160 120.200 -0.216 0.000 2.392 73 E HA 0.023 4.374 4.350 0.002 0.000 0.259 73 E C 1.255 177.792 176.600 -0.105 0.000 1.108 73 E CA -0.465 55.860 56.400 -0.125 0.000 0.916 73 E CB 0.442 30.100 29.700 -0.070 0.000 0.989 73 E HN 0.340 nan 8.360 nan 0.000 0.432 74 I N 1.076 121.531 120.570 -0.192 0.000 2.145 74 I HA -0.298 3.874 4.170 0.002 0.000 0.244 74 I C 1.341 177.348 176.117 -0.183 0.000 1.075 74 I CA 1.830 62.947 61.300 -0.305 0.000 1.332 74 I CB -0.087 37.571 38.000 -0.569 0.000 1.033 74 I HN 0.610 nan 8.210 nan 0.000 0.410 75 W N -0.072 121.249 121.300 0.035 0.000 2.409 75 W HA -0.106 4.555 4.660 0.001 0.000 0.299 75 W C 2.635 179.161 176.519 0.011 0.000 1.203 75 W CA 1.220 58.585 57.345 0.034 0.000 1.298 75 W CB -1.106 28.354 29.460 -0.000 0.000 1.127 75 W HN -0.026 nan 8.180 nan 0.000 0.528 76 T N -0.262 114.379 114.554 0.146 0.000 2.746 76 T HA -0.301 4.050 4.350 0.002 0.000 0.267 76 T C 1.181 175.888 174.700 0.011 0.000 1.039 76 T CA 1.625 63.711 62.100 -0.024 0.000 1.142 76 T CB -0.885 67.790 68.868 -0.322 0.000 0.866 76 T HN 0.355 nan 8.240 nan 0.000 0.444 77 W N 1.808 123.029 121.300 -0.131 0.000 2.335 77 W HA -0.105 4.556 4.660 0.002 0.000 0.311 77 W C 1.955 178.451 176.519 -0.038 0.000 1.213 77 W CA 0.715 58.008 57.345 -0.087 0.000 1.274 77 W CB -0.534 28.865 29.460 -0.102 0.000 1.148 77 W HN 0.087 nan 8.180 nan 0.000 0.498 78 L N 1.408 122.685 121.223 0.089 0.000 2.083 78 L HA -0.165 4.177 4.340 0.002 0.000 0.209 78 L C 2.451 179.251 176.870 -0.115 0.000 1.083 78 L CA 2.151 56.934 54.840 -0.095 0.000 0.752 78 L CB -1.031 41.141 42.059 0.189 0.000 0.899 78 L HN 0.143 nan 8.230 nan 0.000 0.433 79 R N -0.735 119.758 120.500 -0.011 0.000 2.115 79 R HA -0.115 4.227 4.340 0.002 0.000 0.226 79 R C 2.116 178.381 176.300 -0.058 0.000 1.100 79 R CA 1.786 57.881 56.100 -0.008 0.000 0.980 79 R CB 0.048 30.370 30.300 0.037 0.000 0.875 79 R HN 0.590 nan 8.270 nan 0.000 0.445 80 T N -2.833 111.662 114.554 -0.098 0.000 3.035 80 T HA -0.042 4.310 4.350 0.002 0.000 0.259 80 T C 1.845 176.450 174.700 -0.158 0.000 1.078 80 T CA 1.060 63.108 62.100 -0.087 0.000 1.132 80 T CB -0.026 68.822 68.868 -0.033 0.000 0.900 80 T HN 0.295 nan 8.240 nan 0.000 0.480 81 T N 0.529 114.901 114.554 -0.303 0.000 2.942 81 T HA 0.155 4.506 4.350 0.002 0.000 0.265 81 T C 1.716 176.272 174.700 -0.239 0.000 1.062 81 T CA 0.324 62.217 62.100 -0.345 0.000 1.139 81 T CB -0.535 67.954 68.868 -0.632 0.000 0.883 81 T HN 0.193 nan 8.240 nan 0.000 0.468 82 L N 0.574 121.676 121.223 -0.201 0.000 2.418 82 L HA 0.365 4.706 4.340 0.002 0.000 0.218 82 L C 1.259 178.076 176.870 -0.088 0.000 1.125 82 L CA 0.253 55.015 54.840 -0.130 0.000 0.835 82 L CB -0.583 41.420 42.059 -0.093 0.000 0.953 82 L HN 0.198 nan 8.230 nan 0.000 0.454 83 R N 2.196 122.652 120.500 -0.074 0.000 2.404 83 R HA 0.166 4.508 4.340 0.002 0.000 0.315 83 R C -2.267 174.007 176.300 -0.044 0.000 1.032 83 R CA -1.011 55.070 56.100 -0.032 0.000 0.992 83 R CB -0.076 30.218 30.300 -0.010 0.000 0.959 83 R HN -0.017 nan 8.270 nan 0.000 0.428 84 P HA 0.124 nan 4.420 nan 0.000 0.276 84 P C -0.939 176.393 177.300 0.052 0.000 1.252 84 P CA -0.589 62.481 63.100 -0.049 0.000 0.802 84 P CB 1.117 32.810 31.700 -0.010 0.000 1.035 85 S N 0.691 116.430 115.700 0.064 0.000 2.572 85 S HA 0.124 4.595 4.470 0.002 0.000 0.279 85 S C -1.632 173.080 174.600 0.186 0.000 1.341 85 S CA -0.660 57.608 58.200 0.112 0.000 1.043 85 S CB -0.104 63.157 63.200 0.101 0.000 0.887 85 S HN 0.239 nan 8.310 nan 0.000 0.516 86 P HA -0.064 nan 4.420 nan 0.000 0.217 86 P C 1.352 178.786 177.300 0.225 0.000 1.148 86 P CA 1.233 64.444 63.100 0.185 0.000 0.828 86 P CB -0.105 31.697 31.700 0.169 0.000 0.783 87 S N -1.595 114.241 115.700 0.226 0.000 2.383 87 S HA -0.113 4.358 4.470 0.002 0.000 0.227 87 S C 1.587 176.336 174.600 0.248 0.000 1.026 87 S CA 0.748 59.089 58.200 0.235 0.000 0.981 87 S CB -1.050 62.268 63.200 0.196 0.000 0.818 87 S HN 0.165 nan 8.310 nan 0.000 0.472 88 F N 2.117 122.131 119.950 0.108 0.000 2.146 88 F HA 0.019 4.547 4.527 0.002 0.000 0.298 88 F C 1.792 177.686 175.800 0.156 0.000 1.096 88 F CA 1.142 59.210 58.000 0.113 0.000 1.275 88 F CB -0.194 38.841 39.000 0.059 0.000 1.008 88 F HN 0.087 nan 8.300 nan 0.000 0.480 89 I N -0.471 120.218 120.570 0.198 0.000 2.315 89 I HA -0.309 3.862 4.170 0.002 0.000 0.248 89 I C 2.561 178.644 176.117 -0.056 0.000 1.117 89 I CA 1.308 62.642 61.300 0.057 0.000 1.404 89 I CB -0.858 37.210 38.000 0.114 0.000 1.071 89 I HN 0.272 nan 8.210 nan 0.000 0.419 90 H N 1.043 120.069 119.070 -0.073 0.000 2.319 90 H HA -0.264 4.294 4.556 0.002 0.000 0.299 90 H C 2.196 177.436 175.328 -0.146 0.000 1.092 90 H CA 2.119 58.075 56.048 -0.153 0.000 1.302 90 H CB -0.297 29.317 29.762 -0.247 0.000 1.373 90 H HN 0.323 nan 8.280 nan 0.000 0.497 91 F N 0.932 120.848 119.950 -0.056 0.000 2.095 91 F HA -0.214 4.314 4.527 0.002 0.000 0.298 91 F C 2.330 178.005 175.800 -0.209 0.000 1.104 91 F CA 1.057 58.981 58.000 -0.127 0.000 1.232 91 F CB -0.635 38.208 39.000 -0.261 0.000 0.987 91 F HN 0.105 nan 8.300 nan 0.000 0.475 92 L N 0.081 121.088 121.223 -0.359 0.000 2.083 92 L HA -0.185 4.156 4.340 0.002 0.000 0.209 92 L C 2.253 179.049 176.870 -0.123 0.000 1.083 92 L CA 1.572 56.222 54.840 -0.317 0.000 0.752 92 L CB -0.907 41.017 42.059 -0.224 0.000 0.899 92 L HN 0.192 nan 8.230 nan 0.000 0.433 93 L N -1.353 119.663 121.223 -0.345 0.000 2.395 93 L HA -0.082 4.259 4.340 0.002 0.000 0.218 93 L C 1.648 177.951 176.870 -0.945 0.000 1.130 93 L CA 1.271 55.686 54.840 -0.709 0.000 0.826 93 L CB -0.580 40.790 42.059 -1.148 0.000 0.941 93 L HN 0.419 nan 8.230 nan 0.000 0.451 94 T N -5.377 108.656 114.554 -0.868 0.000 3.084 94 T HA 0.238 4.590 4.350 0.002 0.000 0.270 94 T C 0.131 173.833 174.700 -1.664 0.000 1.008 94 T CA -0.323 61.106 62.100 -1.120 0.000 0.900 94 T CB -0.041 68.502 68.868 -0.541 0.000 1.084 94 T HN 0.135 nan 8.240 nan 0.000 0.538 95 H N -0.214 118.033 119.070 -1.372 0.000 2.980 95 H HA 0.604 5.162 4.556 0.002 0.000 0.367 95 H C 0.463 175.502 175.328 -0.482 0.000 1.206 95 H CA -0.170 55.310 56.048 -0.947 0.000 1.126 95 H CB 1.555 30.705 29.762 -1.019 0.000 1.838 95 H HN 0.307 nan 8.280 nan 0.000 0.552 96 G N 2.022 110.772 108.800 -0.083 0.000 2.531 96 G HA2 -0.244 3.718 3.960 0.002 0.000 0.283 96 G HA3 -0.244 3.718 3.960 0.002 0.000 0.283 96 G C 1.078 176.127 174.900 0.248 0.000 1.068 96 G CA -0.001 45.106 45.100 0.012 0.000 1.273 96 G HN 0.487 nan 8.290 nan 0.000 0.532 97 R N -0.355 120.268 120.500 0.205 0.000 2.091 97 R HA -0.109 4.232 4.340 0.002 0.000 0.238 97 R C 2.317 178.765 176.300 0.247 0.000 1.136 97 R CA 2.078 58.325 56.100 0.246 0.000 0.959 97 R CB -0.278 29.985 30.300 -0.061 0.000 0.856 97 R HN 0.735 nan 8.270 nan 0.000 0.437 98 W N 0.578 121.964 121.300 0.143 0.000 2.338 98 W HA -0.174 4.487 4.660 0.002 0.000 0.304 98 W C 2.156 178.709 176.519 0.057 0.000 1.212 98 W CA 0.413 57.805 57.345 0.078 0.000 1.264 98 W CB -1.205 28.272 29.460 0.029 0.000 1.142 98 W HN 0.105 nan 8.180 nan 0.000 0.512 99 L N -1.063 120.283 121.223 0.204 0.000 2.093 99 L HA -0.120 4.221 4.340 0.002 0.000 0.208 99 L C 2.050 178.893 176.870 -0.045 0.000 1.085 99 L CA 1.895 56.711 54.840 -0.040 0.000 0.755 99 L CB -0.811 41.078 42.059 -0.283 0.000 0.904 99 L HN -0.092 nan 8.230 nan 0.000 0.435 100 W N -0.351 121.045 121.300 0.159 0.000 2.518 100 W HA -0.075 4.586 4.660 0.003 0.000 0.273 100 W C 2.210 178.803 176.519 0.123 0.000 1.247 100 W CA 0.424 57.849 57.345 0.134 0.000 1.288 100 W CB -0.119 29.439 29.460 0.163 0.000 1.107 100 W HN 0.131 nan 8.180 nan 0.000 0.586 101 D N -0.025 120.581 120.400 0.342 0.000 2.117 101 D HA -0.218 4.424 4.640 0.002 0.000 0.197 101 D C 1.765 178.186 176.300 0.201 0.000 0.987 101 D CA 1.318 55.459 54.000 0.235 0.000 0.829 101 D CB -0.850 40.086 40.800 0.226 0.000 0.961 101 D HN 0.157 nan 8.370 nan 0.000 0.460 102 F N 1.568 121.561 119.950 0.071 0.000 2.102 102 F HA -0.207 4.321 4.527 0.002 0.000 0.298 102 F C 2.259 178.051 175.800 -0.014 0.000 1.105 102 F CA 1.051 59.057 58.000 0.011 0.000 1.239 102 F CB -0.205 38.779 39.000 -0.027 0.000 0.991 102 F HN -0.244 nan 8.300 nan 0.000 0.474 103 V N 1.130 121.100 119.914 0.093 0.000 2.343 103 V HA -0.335 3.786 4.120 0.002 0.000 0.247 103 V C 2.100 178.177 176.094 -0.029 0.000 1.051 103 V CA 2.203 64.490 62.300 -0.021 0.000 1.036 103 V CB -0.831 31.025 31.823 0.054 0.000 0.654 103 V HN 0.402 nan 8.190 nan 0.000 0.451 104 N N 0.429 119.180 118.700 0.085 0.000 2.309 104 N HA -0.071 4.671 4.740 0.002 0.000 0.182 104 N C 1.611 177.112 175.510 -0.016 0.000 1.018 104 N CA 1.480 54.569 53.050 0.064 0.000 0.876 104 N CB -0.228 38.322 38.487 0.105 0.000 0.972 104 N HN 0.523 nan 8.380 nan 0.000 0.434 105 A N 0.097 122.870 122.820 -0.079 0.000 2.238 105 A HA 0.086 4.407 4.320 0.002 0.000 0.210 105 A C 1.110 178.591 177.584 -0.171 0.000 1.179 105 A CA 0.389 52.363 52.037 -0.104 0.000 0.827 105 A CB -0.134 18.811 19.000 -0.093 0.000 0.856 105 A HN 0.358 nan 8.150 nan 0.000 0.488 106 T N -4.343 110.049 114.554 -0.270 0.000 2.938 106 T HA 0.470 4.821 4.350 0.002 0.000 0.285 106 T C 0.777 175.371 174.700 -0.175 0.000 1.028 106 T CA -0.110 61.816 62.100 -0.290 0.000 1.005 106 T CB 0.574 69.068 68.868 -0.623 0.000 1.157 106 T HN 0.548 nan 8.240 nan 0.000 0.550 107 F N -0.267 119.629 119.950 -0.091 0.000 2.408 107 F HA 0.154 4.682 4.527 0.002 0.000 0.300 107 F C 1.675 177.462 175.800 -0.023 0.000 1.090 107 F CA 0.337 58.311 58.000 -0.044 0.000 1.427 107 F CB -1.202 37.780 39.000 -0.031 0.000 1.070 107 F HN 0.400 nan 8.300 nan 0.000 0.549 108 I N 0.701 120.888 120.570 -0.638 0.000 2.423 108 I HA -0.272 3.899 4.170 0.002 0.000 0.254 108 I C 2.830 178.889 176.117 -0.096 0.000 1.151 108 I CA 1.351 62.417 61.300 -0.391 0.000 1.421 108 I CB -0.654 37.104 38.000 -0.403 0.000 1.079 108 I HN 0.229 nan 8.210 nan 0.000 0.431 109 R N 1.307 121.775 120.500 -0.054 0.000 2.080 109 R HA -0.211 4.130 4.340 0.002 0.000 0.236 109 R C 1.775 178.104 176.300 0.049 0.000 1.137 109 R CA 2.213 58.335 56.100 0.036 0.000 0.943 109 R CB -0.223 30.096 30.300 0.032 0.000 0.846 109 R HN 0.371 nan 8.270 nan 0.000 0.431 110 D N -0.653 119.779 120.400 0.053 0.000 2.183 110 D HA -0.087 4.554 4.640 0.002 0.000 0.203 110 D C 1.736 178.077 176.300 0.068 0.000 0.969 110 D CA 1.541 55.576 54.000 0.058 0.000 0.842 110 D CB -0.164 40.681 40.800 0.075 0.000 0.957 110 D HN 0.331 nan 8.370 nan 0.000 0.484 111 T N 1.578 116.189 114.554 0.094 0.000 2.708 111 T HA -0.072 4.279 4.350 0.002 0.000 0.266 111 T C 2.320 177.059 174.700 0.065 0.000 1.037 111 T CA 0.624 62.782 62.100 0.097 0.000 1.146 111 T CB -0.230 68.707 68.868 0.115 0.000 0.865 111 T HN 0.104 nan 8.240 nan 0.000 0.435 112 L N -0.074 121.186 121.223 0.062 0.000 2.044 112 L HA -0.001 4.340 4.340 0.002 0.000 0.205 112 L C 2.634 179.546 176.870 0.069 0.000 1.075 112 L CA 0.893 55.779 54.840 0.076 0.000 0.747 112 L CB -0.462 41.669 42.059 0.121 0.000 0.903 112 L HN 0.228 nan 8.230 nan 0.000 0.435 113 M N 0.032 119.671 119.600 0.064 0.000 2.149 113 M HA -0.216 4.266 4.480 0.002 0.000 0.261 113 M C 2.333 178.649 176.300 0.027 0.000 1.064 113 M CA 1.695 57.026 55.300 0.052 0.000 1.102 113 M CB -0.508 32.119 32.600 0.044 0.000 1.369 113 M HN 0.025 nan 8.290 nan 0.000 0.408 114 R N -0.672 119.836 120.500 0.014 0.000 2.081 114 R HA -0.158 4.183 4.340 0.002 0.000 0.235 114 R C 2.053 178.359 176.300 0.009 0.000 1.131 114 R CA 1.604 57.699 56.100 -0.009 0.000 0.960 114 R CB -0.515 29.781 30.300 -0.006 0.000 0.856 114 R HN 0.421 nan 8.270 nan 0.000 0.436 115 L N 0.535 121.777 121.223 0.032 0.000 2.056 115 L HA -0.122 4.220 4.340 0.002 0.000 0.207 115 L C 2.175 179.076 176.870 0.050 0.000 1.078 115 L CA 1.346 56.211 54.840 0.042 0.000 0.749 115 L CB -0.299 41.790 42.059 0.050 0.000 0.901 115 L HN 0.005 nan 8.230 nan 0.000 0.433 116 V N -0.835 119.114 119.914 0.058 0.000 2.255 116 V HA -0.309 3.813 4.120 0.002 0.000 0.247 116 V C 2.475 178.611 176.094 0.069 0.000 1.051 116 V CA 1.611 63.956 62.300 0.076 0.000 1.018 116 V CB -0.616 31.263 31.823 0.093 0.000 0.641 116 V HN 0.312 nan 8.190 nan 0.000 0.445 117 L N 0.664 121.911 121.223 0.039 0.000 1.994 117 L HA -0.162 4.179 4.340 0.002 0.000 0.208 117 L C 2.875 179.757 176.870 0.020 0.000 1.071 117 L CA 2.884 57.729 54.840 0.008 0.000 0.745 117 L CB -1.635 40.382 42.059 -0.069 0.000 0.892 117 L HN 0.670 nan 8.230 nan 0.000 0.431 118 T N -4.299 110.264 114.554 0.015 0.000 2.812 118 T HA -0.098 4.253 4.350 0.002 0.000 0.264 118 T C 1.934 176.682 174.700 0.080 0.000 1.042 118 T CA 1.302 63.436 62.100 0.056 0.000 1.140 118 T CB -0.898 67.994 68.868 0.039 0.000 0.870 118 T HN 0.060 nan 8.240 nan 0.000 0.445 119 V N 1.425 121.378 119.914 0.064 0.000 2.358 119 V HA -0.053 4.068 4.120 0.002 0.000 0.246 119 V C 3.052 179.190 176.094 0.073 0.000 1.047 119 V CA 1.685 64.023 62.300 0.064 0.000 1.035 119 V CB -0.717 31.143 31.823 0.062 0.000 0.658 119 V HN 0.289 nan 8.190 nan 0.000 0.452 120 R N 1.259 121.810 120.500 0.086 0.000 2.070 120 R HA -0.122 4.219 4.340 0.002 0.000 0.232 120 R C 2.644 178.989 176.300 0.075 0.000 1.138 120 R CA 1.876 58.032 56.100 0.093 0.000 0.936 120 R CB -0.823 29.541 30.300 0.107 0.000 0.839 120 R HN 0.680 nan 8.270 nan 0.000 0.429 121 S N -0.491 115.270 115.700 0.102 0.000 2.481 121 S HA -0.056 4.415 4.470 0.002 0.000 0.231 121 S C 1.479 176.106 174.600 0.046 0.000 0.996 121 S CA 1.207 59.472 58.200 0.109 0.000 0.942 121 S CB -0.402 62.971 63.200 0.288 0.000 0.768 121 S HN 0.357 nan 8.310 nan 0.000 0.520 122 N N 0.874 119.604 118.700 0.050 0.000 2.453 122 N HA 0.140 4.881 4.740 0.002 0.000 0.183 122 N C 1.152 176.631 175.510 -0.052 0.000 1.041 122 N CA 0.354 53.403 53.050 -0.003 0.000 0.900 122 N CB -0.138 38.362 38.487 0.021 0.000 0.961 122 N HN 0.251 nan 8.380 nan 0.000 0.443 123 L N 0.834 122.020 121.223 -0.061 0.000 2.551 123 L HA 0.069 4.411 4.340 0.002 0.000 0.228 123 L C 0.009 176.748 176.870 -0.218 0.000 1.153 123 L CA 0.745 55.500 54.840 -0.142 0.000 0.851 123 L CB -0.381 41.603 42.059 -0.124 0.000 0.959 123 L HN 0.179 nan 8.230 nan 0.000 0.451 124 I N 2.293 122.762 120.570 -0.168 0.000 2.312 124 I HA 0.252 4.423 4.170 0.002 0.000 0.290 124 I C -1.948 174.085 176.117 -0.140 0.000 1.008 124 I CA -2.669 58.526 61.300 -0.175 0.000 1.226 124 I CB 1.019 38.920 38.000 -0.165 0.000 1.371 124 I HN -0.138 nan 8.210 nan 0.000 0.468 125 P HA 0.080 nan 4.420 nan 0.000 0.267 125 P C -0.313 176.914 177.300 -0.122 0.000 1.209 125 P CA 0.103 63.128 63.100 -0.125 0.000 0.763 125 P CB 0.979 32.596 31.700 -0.140 0.000 0.816 126 S N 3.772 119.393 115.700 -0.132 0.000 2.668 126 S HA 0.487 4.959 4.470 0.002 0.000 0.277 126 S C -2.704 171.829 174.600 -0.112 0.000 1.170 126 S CA -1.289 56.832 58.200 -0.132 0.000 0.994 126 S CB 0.653 63.733 63.200 -0.200 0.000 1.051 126 S HN 0.217 nan 8.310 nan 0.000 0.484 127 P HA 0.268 nan 4.420 nan 0.000 0.268 127 P C -2.607 174.674 177.300 -0.033 0.000 1.208 127 P CA -0.900 62.204 63.100 0.006 0.000 0.777 127 P CB -0.649 31.106 31.700 0.091 0.000 0.875 128 P HA -0.052 nan 4.420 nan 0.000 0.269 128 P C 0.632 177.846 177.300 -0.144 0.000 1.217 128 P CA 0.195 63.243 63.100 -0.086 0.000 0.783 128 P CB 0.362 32.004 31.700 -0.096 0.000 0.898 129 T N -0.956 113.441 114.554 -0.261 0.000 3.535 129 T HA 0.161 4.512 4.350 0.002 0.000 0.223 129 T C 0.535 174.941 174.700 -0.490 0.000 0.933 129 T CA 0.386 62.151 62.100 -0.559 0.000 1.445 129 T CB -0.604 67.639 68.868 -1.042 0.000 1.286 129 T HN 0.381 nan 8.240 nan 0.000 0.436 130 Y N 2.564 122.844 120.300 -0.034 0.000 2.602 130 Y HA 0.697 5.248 4.550 0.002 0.000 0.330 130 Y C 0.270 176.109 175.900 -0.103 0.000 1.114 130 Y CA -1.324 56.728 58.100 -0.080 0.000 1.182 130 Y CB 1.194 39.624 38.460 -0.051 0.000 1.305 130 Y HN 0.567 nan 8.280 nan 0.000 0.502 131 N N -0.782 117.913 118.700 -0.009 0.000 3.278 131 N HA 0.206 4.947 4.740 0.002 0.000 0.307 131 N C -0.240 175.199 175.510 -0.118 0.000 1.551 131 N CA -0.737 52.248 53.050 -0.107 0.000 0.794 131 N CB 0.325 38.589 38.487 -0.372 0.000 1.770 131 N HN 0.594 nan 8.380 nan 0.000 0.612 132 I N -0.311 120.212 120.570 -0.079 0.000 2.454 132 I HA 0.024 4.195 4.170 0.002 0.000 0.254 132 I C 1.828 177.883 176.117 -0.104 0.000 1.156 132 I CA 1.614 62.886 61.300 -0.046 0.000 1.433 132 I CB -0.696 37.298 38.000 -0.010 0.000 1.082 132 I HN 0.705 nan 8.210 nan 0.000 0.432 133 A N -0.797 121.857 122.820 -0.277 0.000 1.874 133 A HA -0.006 4.315 4.320 0.002 0.000 0.214 133 A C 0.687 177.951 177.584 -0.533 0.000 1.189 133 A CA 0.922 52.691 52.037 -0.446 0.000 0.615 133 A CB -0.418 18.130 19.000 -0.753 0.000 0.830 133 A HN 0.493 nan 8.150 nan 0.000 0.443 134 H N 0.116 118.986 119.070 -0.332 0.000 2.539 134 H HA 0.324 4.881 4.556 0.002 0.000 0.332 134 H C -1.234 173.832 175.328 -0.437 0.000 1.031 134 H CA -0.948 54.714 56.048 -0.643 0.000 1.206 134 H CB 1.134 30.235 29.762 -1.102 0.000 1.446 134 H HN 0.250 nan 8.280 nan 0.000 0.496 135 D N 3.371 123.660 120.400 -0.184 0.000 2.538 135 D HA 0.062 4.703 4.640 0.002 0.000 0.234 135 D C -0.164 176.021 176.300 -0.191 0.000 1.191 135 D CA 0.287 54.162 54.000 -0.209 0.000 0.828 135 D CB -0.078 40.663 40.800 -0.098 0.000 0.981 135 D HN 0.516 nan 8.370 nan 0.000 0.490 136 Y N -2.689 117.653 120.300 0.069 0.000 2.592 136 Y HA 0.450 5.001 4.550 0.002 0.000 0.334 136 Y C -0.519 175.600 175.900 0.365 0.000 1.136 136 Y CA -1.551 56.672 58.100 0.205 0.000 1.042 136 Y CB 0.308 38.808 38.460 0.066 0.000 1.325 136 Y HN -0.311 nan 8.280 nan 0.000 0.457 137 I N 3.475 124.307 120.570 0.438 0.000 2.618 137 I HA 0.363 4.534 4.170 0.002 0.000 0.284 137 I C 0.243 176.458 176.117 0.163 0.000 1.146 137 I CA 0.641 62.051 61.300 0.184 0.000 1.425 137 I CB 0.424 38.492 38.000 0.113 0.000 1.383 137 I HN 0.755 nan 8.210 nan 0.000 0.562 138 S N 5.647 121.379 115.700 0.052 0.000 2.570 138 S HA 0.221 4.692 4.470 0.002 0.000 0.270 138 S C 0.125 174.790 174.600 0.108 0.000 1.149 138 S CA -0.974 57.257 58.200 0.052 0.000 0.837 138 S CB 1.282 64.379 63.200 -0.172 0.000 1.124 138 S HN 0.850 nan 8.310 nan 0.000 0.465 139 W N 1.593 122.900 121.300 0.013 0.000 2.381 139 W HA -0.097 4.564 4.660 0.002 0.000 0.301 139 W C 1.548 178.153 176.519 0.143 0.000 1.205 139 W CA 2.309 59.705 57.345 0.085 0.000 1.285 139 W CB -0.302 29.194 29.460 0.059 0.000 1.133 139 W HN 1.048 nan 8.180 nan 0.000 0.521 140 E N 0.781 121.069 120.200 0.146 0.000 2.058 140 E HA -0.255 4.096 4.350 0.002 0.000 0.194 140 E C 2.298 178.875 176.600 -0.038 0.000 0.997 140 E CA 2.522 58.976 56.400 0.091 0.000 0.801 140 E CB -0.881 28.951 29.700 0.221 0.000 0.746 140 E HN 0.041 nan 8.360 nan 0.000 0.450 141 S N -1.375 114.303 115.700 -0.036 0.000 2.383 141 S HA -0.183 4.288 4.470 0.002 0.000 0.229 141 S C 1.767 176.280 174.600 -0.146 0.000 1.030 141 S CA 1.353 59.477 58.200 -0.128 0.000 1.002 141 S CB -0.625 62.529 63.200 -0.077 0.000 0.829 141 S HN 0.491 nan 8.310 nan 0.000 0.467 142 F N 2.284 122.034 119.950 -0.333 0.000 2.163 142 F HA 0.023 4.551 4.527 0.002 0.000 0.297 142 F C 2.472 177.976 175.800 -0.495 0.000 1.094 142 F CA 1.829 59.568 58.000 -0.436 0.000 1.290 142 F CB -0.566 38.102 39.000 -0.554 0.000 1.017 142 F HN 0.363 nan 8.300 nan 0.000 0.483 143 S N -0.932 114.350 115.700 -0.696 0.000 2.470 143 S HA 0.028 4.499 4.470 0.002 0.000 0.222 143 S C 0.875 175.294 174.600 -0.302 0.000 1.024 143 S CA 0.030 57.843 58.200 -0.645 0.000 0.931 143 S CB -0.640 62.231 63.200 -0.548 0.000 0.791 143 S HN 0.331 nan 8.310 nan 0.000 0.513 144 N N 2.889 121.502 118.700 -0.144 0.000 2.482 144 N HA 0.156 4.897 4.740 0.002 0.000 0.242 144 N C 0.904 176.448 175.510 0.057 0.000 1.100 144 N CA -0.060 53.019 53.050 0.048 0.000 0.946 144 N CB 1.247 39.891 38.487 0.263 0.000 1.227 144 N HN 0.281 nan 8.380 nan 0.000 0.508 145 V N 0.952 120.857 119.914 -0.015 0.000 3.305 145 V HA -0.013 4.109 4.120 0.002 0.000 0.269 145 V C 1.711 177.899 176.094 0.155 0.000 1.157 145 V CA 0.770 63.074 62.300 0.007 0.000 1.157 145 V CB -0.562 31.254 31.823 -0.012 0.000 0.772 145 V HN 0.386 nan 8.190 nan 0.000 0.498 146 S N -1.001 114.753 115.700 0.089 0.000 2.447 146 S HA 0.041 4.512 4.470 0.002 0.000 0.233 146 S C 0.542 175.114 174.600 -0.047 0.000 1.006 146 S CA 0.726 58.945 58.200 0.032 0.000 0.957 146 S CB -0.450 62.776 63.200 0.043 0.000 0.773 146 S HN 0.698 nan 8.310 nan 0.000 0.507 147 Y N 0.677 120.954 120.300 -0.038 0.000 2.319 147 Y HA 0.265 4.817 4.550 0.002 0.000 0.328 147 Y C 0.239 176.092 175.900 -0.078 0.000 1.133 147 Y CA -0.883 57.097 58.100 -0.199 0.000 1.265 147 Y CB 0.172 38.508 38.460 -0.207 0.000 1.218 147 Y HN 0.068 nan 8.280 nan 0.000 0.508 148 Y N 1.198 121.576 120.300 0.129 0.000 2.397 148 Y HA 0.082 4.634 4.550 0.002 0.000 0.335 148 Y C 1.031 176.996 175.900 0.109 0.000 1.213 148 Y CA 0.025 58.220 58.100 0.159 0.000 1.391 148 Y CB 0.597 39.114 38.460 0.096 0.000 1.293 148 Y HN 0.547 nan 8.280 nan 0.000 0.557 149 T N 3.046 117.767 114.554 0.279 0.000 2.810 149 T HA 0.708 5.059 4.350 0.002 0.000 0.277 149 T C -0.706 174.098 174.700 0.173 0.000 0.973 149 T CA -0.756 61.434 62.100 0.150 0.000 0.949 149 T CB 0.426 69.340 68.868 0.076 0.000 1.075 149 T HN 0.754 nan 8.240 nan 0.000 0.537 150 R N 1.415 122.013 120.500 0.164 0.000 2.668 150 R HA 0.492 4.833 4.340 0.002 0.000 0.272 150 R C 0.267 176.725 176.300 0.264 0.000 1.019 150 R CA -0.905 55.323 56.100 0.213 0.000 0.894 150 R CB 0.624 31.038 30.300 0.190 0.000 1.228 150 R HN 0.337 nan 8.270 nan 0.000 0.460 151 I N 1.144 121.912 120.570 0.330 0.000 2.296 151 I HA 0.078 4.249 4.170 0.002 0.000 0.242 151 I C 0.950 177.225 176.117 0.263 0.000 1.087 151 I CA 0.732 62.203 61.300 0.286 0.000 1.393 151 I CB -0.662 37.557 38.000 0.366 0.000 1.093 151 I HN 0.536 nan 8.210 nan 0.000 0.421 152 L N 2.535 123.896 121.223 0.230 0.000 2.325 152 L HA 0.321 4.662 4.340 0.002 0.000 0.279 152 L C -2.061 174.844 176.870 0.058 0.000 1.054 152 L CA -1.714 53.148 54.840 0.036 0.000 0.804 152 L CB 1.373 43.222 42.059 -0.350 0.000 1.200 152 L HN -0.064 nan 8.230 nan 0.000 0.436 153 P HA 0.036 nan 4.420 nan 0.000 0.271 153 P C -0.523 176.738 177.300 -0.066 0.000 1.244 153 P CA -0.405 62.569 63.100 -0.208 0.000 0.793 153 P CB 0.556 32.018 31.700 -0.398 0.000 0.984 154 S N -0.596 115.080 115.700 -0.041 0.000 2.608 154 S HA 0.172 4.643 4.470 0.002 0.000 0.261 154 S C 0.237 174.863 174.600 0.043 0.000 1.314 154 S CA -0.745 57.466 58.200 0.017 0.000 0.992 154 S CB -0.108 63.104 63.200 0.020 0.000 0.935 154 S HN 0.236 nan 8.310 nan 0.000 0.564 155 V N 3.354 123.313 119.914 0.075 0.000 2.439 155 V HA 0.243 4.364 4.120 0.002 0.000 0.271 155 V C -1.999 174.115 176.094 0.033 0.000 1.040 155 V CA -1.336 61.017 62.300 0.089 0.000 1.002 155 V CB -0.288 31.602 31.823 0.111 0.000 1.000 155 V HN 0.758 nan 8.190 nan 0.000 0.477 156 P HA 0.107 nan 4.420 nan 0.000 0.265 156 P C 0.699 177.994 177.300 -0.008 0.000 1.187 156 P CA 0.083 63.176 63.100 -0.011 0.000 0.766 156 P CB 0.498 32.174 31.700 -0.041 0.000 0.820 157 R N 1.807 122.310 120.500 0.005 0.000 2.189 157 R HA -0.076 4.265 4.340 0.002 0.000 0.223 157 R C 0.779 177.079 176.300 -0.001 0.000 1.092 157 R CA 1.248 57.354 56.100 0.010 0.000 0.989 157 R CB -0.286 30.027 30.300 0.021 0.000 0.876 157 R HN 0.609 nan 8.270 nan 0.000 0.457 158 D N -0.478 119.915 120.400 -0.012 0.000 2.561 158 D HA 0.031 4.672 4.640 0.002 0.000 0.232 158 D C -0.263 176.012 176.300 -0.042 0.000 1.198 158 D CA -0.328 53.661 54.000 -0.018 0.000 0.826 158 D CB -0.470 40.324 40.800 -0.011 0.000 0.992 158 D HN -0.012 nan 8.370 nan 0.000 0.490 159 c N 0.730 119.295 118.600 -0.057 0.000 2.382 159 c HA 0.319 4.891 4.570 0.002 0.000 0.363 159 c C -0.532 173.514 174.090 -0.074 0.000 1.213 159 c CA -1.003 55.266 56.329 -0.100 0.000 2.363 159 c CB 1.506 43.938 42.510 -0.129 0.000 2.397 159 c HN 0.211 nan 8.230 nan 0.000 0.573 160 P HA -0.046 nan 4.420 nan 0.000 0.213 160 P C 0.557 177.836 177.300 -0.035 0.000 1.170 160 P CA 1.382 64.445 63.100 -0.061 0.000 0.898 160 P CB -0.144 31.507 31.700 -0.081 0.000 0.787 161 T N -5.033 109.497 114.554 -0.039 0.000 2.929 161 T HA 0.366 4.717 4.350 0.002 0.000 0.284 161 T C -2.196 172.515 174.700 0.019 0.000 1.014 161 T CA -2.257 59.844 62.100 0.002 0.000 1.051 161 T CB 1.474 70.354 68.868 0.020 0.000 1.028 161 T HN -0.188 nan 8.240 nan 0.000 0.485 162 P HA 0.035 nan 4.420 nan 0.000 0.223 162 P C 0.949 178.303 177.300 0.091 0.000 1.144 162 P CA 0.863 64.002 63.100 0.065 0.000 0.783 162 P CB 0.054 31.803 31.700 0.080 0.000 0.771 163 M N -2.143 117.521 119.600 0.107 0.000 2.404 163 M HA 0.344 4.825 4.480 0.002 0.000 0.271 163 M C 1.118 177.523 176.300 0.176 0.000 1.128 163 M CA 0.281 55.670 55.300 0.148 0.000 0.982 163 M CB 0.096 32.791 32.600 0.158 0.000 1.445 163 M HN 0.058 nan 8.290 nan 0.000 0.495 164 G N 1.069 109.908 108.800 0.066 0.000 2.344 164 G HA2 -0.247 3.715 3.960 0.002 0.000 0.215 164 G HA3 -0.247 3.715 3.960 0.002 0.000 0.215 164 G C 0.526 175.316 174.900 -0.184 0.000 1.293 164 G CA 0.489 45.536 45.100 -0.088 0.000 1.305 164 G HN 0.284 nan 8.290 nan 0.000 0.484 165 T N -1.541 112.895 114.554 -0.196 0.000 2.964 165 T HA 0.418 4.769 4.350 0.002 0.000 0.249 165 T C 0.786 175.446 174.700 -0.066 0.000 1.000 165 T CA 0.944 62.913 62.100 -0.219 0.000 0.992 165 T CB 0.467 69.078 68.868 -0.428 0.000 1.087 165 T HN 0.449 nan 8.240 nan 0.000 0.489 166 K N 1.849 122.251 120.400 0.003 0.000 2.098 166 K HA 0.648 4.969 4.320 0.002 0.000 0.257 166 K C 1.048 177.696 176.600 0.080 0.000 0.999 166 K CA 0.590 56.909 56.287 0.053 0.000 0.924 166 K CB 0.798 33.344 32.500 0.077 0.000 1.028 166 K HN 0.560 nan 8.250 nan 0.000 0.466 167 G N 1.352 110.211 108.800 0.099 0.000 2.545 167 G HA2 -0.217 3.745 3.960 0.002 0.000 0.216 167 G HA3 -0.217 3.745 3.960 0.002 0.000 0.216 167 G C -1.027 173.936 174.900 0.105 0.000 1.314 167 G CA -0.613 44.568 45.100 0.136 0.000 0.906 167 G HN 0.459 nan 8.290 nan 0.000 0.563 168 K N 0.434 120.902 120.400 0.114 0.000 2.185 168 K HA 0.681 5.002 4.320 0.002 0.000 0.240 168 K C 1.567 178.203 176.600 0.060 0.000 0.983 168 K CA -0.086 56.245 56.287 0.074 0.000 0.873 168 K CB 1.344 33.882 32.500 0.062 0.000 1.118 168 K HN 0.795 nan 8.250 nan 0.000 0.441 169 K N 0.733 121.155 120.400 0.038 0.000 2.148 169 K HA -0.082 4.239 4.320 0.002 0.000 0.204 169 K C 1.160 177.778 176.600 0.031 0.000 1.050 169 K CA 2.011 58.315 56.287 0.029 0.000 0.942 169 K CB -0.800 31.710 32.500 0.018 0.000 0.724 169 K HN 0.677 nan 8.250 nan 0.000 0.446 170 Q N 0.397 120.213 119.800 0.026 0.000 2.341 170 Q HA 0.675 5.017 4.340 0.002 0.000 0.268 170 Q C -0.414 175.599 176.000 0.021 0.000 1.013 170 Q CA -0.881 54.934 55.803 0.021 0.000 0.798 170 Q CB 1.085 29.825 28.738 0.004 0.000 1.253 170 Q HN 0.338 nan 8.270 nan 0.000 0.457 171 L N 2.973 124.220 121.223 0.039 0.000 2.467 171 L HA 0.376 4.718 4.340 0.002 0.000 0.270 171 L C -1.744 175.105 176.870 -0.034 0.000 1.205 171 L CA -1.326 53.537 54.840 0.039 0.000 0.828 171 L CB 0.312 42.433 42.059 0.103 0.000 1.101 171 L HN 0.591 nan 8.230 nan 0.000 0.479 172 P HA -0.043 nan 4.420 nan 0.000 0.266 172 P C -0.961 176.312 177.300 -0.045 0.000 1.186 172 P CA -0.118 62.881 63.100 -0.168 0.000 0.767 172 P CB 0.251 31.701 31.700 -0.417 0.000 0.820 173 D N 1.092 121.490 120.400 -0.002 0.000 2.417 173 D HA 0.189 4.830 4.640 0.002 0.000 0.250 173 D C 1.196 177.557 176.300 0.103 0.000 1.166 173 D CA 0.199 54.228 54.000 0.049 0.000 0.881 173 D CB 0.637 41.465 40.800 0.045 0.000 1.164 173 D HN 0.306 nan 8.370 nan 0.000 0.467 174 A N 3.797 126.667 122.820 0.085 0.000 1.902 174 A HA -0.199 4.122 4.320 0.002 0.000 0.217 174 A C 1.945 179.587 177.584 0.096 0.000 1.181 174 A CA 1.745 53.837 52.037 0.093 0.000 0.623 174 A CB -0.571 18.474 19.000 0.075 0.000 0.818 174 A HN 0.740 nan 8.150 nan 0.000 0.443 175 E N -0.971 119.287 120.200 0.096 0.000 2.051 175 E HA -0.185 4.166 4.350 0.002 0.000 0.192 175 E C 1.681 178.338 176.600 0.095 0.000 0.991 175 E CA 1.556 58.009 56.400 0.088 0.000 0.799 175 E CB -0.427 29.325 29.700 0.087 0.000 0.748 175 E HN 0.538 nan 8.360 nan 0.000 0.449 176 F N -0.038 119.898 119.950 -0.023 0.000 2.186 176 F HA -0.058 4.470 4.527 0.002 0.000 0.299 176 F C 1.873 177.634 175.800 -0.065 0.000 1.090 176 F CA 0.900 58.866 58.000 -0.057 0.000 1.307 176 F CB -0.129 38.834 39.000 -0.062 0.000 1.019 176 F HN 0.145 nan 8.300 nan 0.000 0.489 177 L N -0.495 120.791 121.223 0.105 0.000 2.093 177 L HA -0.162 4.179 4.340 0.002 0.000 0.208 177 L C 2.406 179.319 176.870 0.071 0.000 1.085 177 L CA 1.803 56.725 54.840 0.137 0.000 0.755 177 L CB -0.765 41.411 42.059 0.194 0.000 0.904 177 L HN 0.022 nan 8.230 nan 0.000 0.435 178 S N -1.189 114.524 115.700 0.021 0.000 2.414 178 S HA -0.037 4.435 4.470 0.002 0.000 0.227 178 S C 2.025 176.570 174.600 -0.092 0.000 1.022 178 S CA 0.347 58.552 58.200 0.008 0.000 0.958 178 S CB -0.167 63.054 63.200 0.036 0.000 0.797 178 S HN 0.328 nan 8.310 nan 0.000 0.493 179 R N 1.429 121.811 120.500 -0.196 0.000 2.062 179 R HA 0.131 4.473 4.340 0.002 0.000 0.231 179 R C 2.242 178.285 176.300 -0.428 0.000 1.136 179 R CA 0.991 56.920 56.100 -0.285 0.000 0.948 179 R CB -0.330 29.771 30.300 -0.331 0.000 0.845 179 R HN 0.250 nan 8.270 nan 0.000 0.430 180 R N -0.801 119.256 120.500 -0.738 0.000 2.193 180 R HA 0.022 4.364 4.340 0.002 0.000 0.213 180 R C 1.484 177.224 176.300 -0.933 0.000 1.055 180 R CA 0.945 56.436 56.100 -1.015 0.000 0.995 180 R CB 0.192 29.533 30.300 -1.598 0.000 0.893 180 R HN 0.250 nan 8.270 nan 0.000 0.459 181 F N -1.987 117.855 119.950 -0.180 0.000 2.784 181 F HA 0.178 4.706 4.527 0.002 0.000 0.316 181 F C 1.760 177.497 175.800 -0.105 0.000 1.026 181 F CA -0.167 57.755 58.000 -0.130 0.000 1.188 181 F CB 0.313 39.243 39.000 -0.116 0.000 0.999 181 F HN -0.199 nan 8.300 nan 0.000 0.605 182 L N 0.058 121.313 121.223 0.053 0.000 2.609 182 L HA 0.267 4.608 4.340 0.002 0.000 0.230 182 L C 0.438 177.309 176.870 0.002 0.000 1.087 182 L CA 0.098 54.952 54.840 0.025 0.000 0.874 182 L CB 0.682 42.762 42.059 0.036 0.000 1.114 182 L HN 0.055 nan 8.230 nan 0.000 0.488 183 L N 2.052 123.255 121.223 -0.033 0.000 2.462 183 L HA 0.086 4.427 4.340 0.002 0.000 0.272 183 L C 0.785 177.644 176.870 -0.019 0.000 1.166 183 L CA 0.070 54.892 54.840 -0.030 0.000 0.880 183 L CB 0.620 42.636 42.059 -0.071 0.000 1.142 183 L HN 0.208 nan 8.230 nan 0.000 0.473 184 R N 4.233 124.740 120.500 0.012 0.000 2.449 184 R HA 0.065 4.406 4.340 0.002 0.000 0.296 184 R C 0.495 176.804 176.300 0.016 0.000 1.047 184 R CA 0.154 56.269 56.100 0.025 0.000 1.018 184 R CB 0.666 31.007 30.300 0.068 0.000 0.962 184 R HN 0.729 nan 8.270 nan 0.000 0.428 185 R N 2.993 123.495 120.500 0.002 0.000 2.038 185 R HA 0.136 4.477 4.340 0.002 0.000 0.214 185 R C 0.106 176.421 176.300 0.024 0.000 1.249 185 R CA 1.295 57.393 56.100 -0.004 0.000 1.025 185 R CB -0.031 30.254 30.300 -0.025 0.000 0.911 185 R HN 0.500 nan 8.270 nan 0.000 0.456 186 K N 1.241 121.656 120.400 0.025 0.000 2.207 186 K HA 0.288 4.609 4.320 0.002 0.000 0.255 186 K C -1.064 175.586 176.600 0.084 0.000 0.941 186 K CA -0.762 55.559 56.287 0.057 0.000 0.825 186 K CB 0.550 33.067 32.500 0.029 0.000 1.119 186 K HN 0.185 nan 8.250 nan 0.000 0.430 187 F N 2.294 122.235 119.950 -0.015 0.000 2.543 187 F HA 0.435 4.963 4.527 0.002 0.000 0.375 187 F C -0.042 175.743 175.800 -0.026 0.000 1.075 187 F CA -0.361 57.627 58.000 -0.019 0.000 1.225 187 F CB 0.176 39.164 39.000 -0.020 0.000 1.099 187 F HN 0.441 nan 8.300 nan 0.000 0.561 188 I N 9.046 129.141 120.570 -0.792 0.000 2.359 188 I HA 0.288 4.459 4.170 0.002 0.000 0.284 188 I C -2.176 173.303 176.117 -1.064 0.000 1.018 188 I CA -2.188 58.696 61.300 -0.693 0.000 1.173 188 I CB 1.154 38.940 38.000 -0.356 0.000 1.326 188 I HN 0.429 nan 8.210 nan 0.000 0.462 189 P HA 0.063 nan 4.420 nan 0.000 0.274 189 P C -0.830 176.291 177.300 -0.297 0.000 1.231 189 P CA -0.280 62.507 63.100 -0.521 0.000 0.790 189 P CB 0.922 32.545 31.700 -0.127 0.000 0.951 190 D N 2.856 123.133 120.400 -0.204 0.000 2.358 190 D HA 0.055 4.697 4.640 0.002 0.000 0.258 190 D C -1.177 175.025 176.300 -0.163 0.000 1.223 190 D CA -1.985 51.894 54.000 -0.201 0.000 0.886 190 D CB 0.304 40.973 40.800 -0.219 0.000 1.120 190 D HN 0.160 nan 8.370 nan 0.000 0.482 191 P HA -0.157 nan 4.420 nan 0.000 0.228 191 P C 0.767 177.989 177.300 -0.130 0.000 1.151 191 P CA 0.943 63.967 63.100 -0.125 0.000 0.770 191 P CB 0.271 31.903 31.700 -0.113 0.000 0.786 192 Q N -1.035 118.661 119.800 -0.174 0.000 2.435 192 Q HA 0.121 4.462 4.340 0.002 0.000 0.207 192 Q C 1.289 177.194 176.000 -0.159 0.000 0.956 192 Q CA 0.754 56.442 55.803 -0.191 0.000 0.917 192 Q CB -0.276 28.299 28.738 -0.271 0.000 0.997 192 Q HN 0.302 nan 8.270 nan 0.000 0.497 193 G N 1.069 109.800 108.800 -0.114 0.000 2.141 193 G HA2 -0.227 3.735 3.960 0.002 0.000 0.242 193 G HA3 -0.227 3.735 3.960 0.002 0.000 0.242 193 G C 0.118 175.027 174.900 0.016 0.000 0.982 193 G CA 0.168 45.248 45.100 -0.034 0.000 0.662 193 G HN 0.269 nan 8.290 nan 0.000 0.527 194 T N 1.934 116.439 114.554 -0.081 0.000 2.871 194 T HA 0.380 4.731 4.350 0.002 0.000 0.296 194 T C 0.921 175.657 174.700 0.060 0.000 0.998 194 T CA 0.769 62.813 62.100 -0.093 0.000 1.162 194 T CB 0.539 69.189 68.868 -0.364 0.000 0.947 194 T HN 0.823 nan 8.240 nan 0.000 0.536 195 N N 3.048 121.861 118.700 0.187 0.000 2.491 195 N HA 0.273 5.014 4.740 0.002 0.000 0.279 195 N C 0.952 176.647 175.510 0.308 0.000 1.236 195 N CA -1.039 52.160 53.050 0.249 0.000 0.982 195 N CB 0.339 39.001 38.487 0.292 0.000 1.194 195 N HN 0.395 nan 8.380 nan 0.000 0.582 196 L N -1.237 120.171 121.223 0.308 0.000 2.201 196 L HA -0.043 4.299 4.340 0.002 0.000 0.212 196 L C 2.174 179.310 176.870 0.443 0.000 1.105 196 L CA 0.837 55.840 54.840 0.271 0.000 0.775 196 L CB -0.374 41.866 42.059 0.303 0.000 0.913 196 L HN 0.584 nan 8.230 nan 0.000 0.440 197 M N -0.197 119.752 119.600 0.581 0.000 2.108 197 M HA -0.284 4.198 4.480 0.002 0.000 0.261 197 M C 2.054 178.834 176.300 0.801 0.000 1.066 197 M CA 1.954 57.658 55.300 0.673 0.000 1.107 197 M CB -0.523 32.357 32.600 0.467 0.000 1.356 197 M HN 0.186 nan 8.290 nan 0.000 0.406 198 F N 0.227 120.557 119.950 0.634 0.000 2.102 198 F HA -0.111 4.417 4.527 0.002 0.000 0.298 198 F C 2.084 178.173 175.800 0.482 0.000 1.105 198 F CA 1.901 60.284 58.000 0.639 0.000 1.239 198 F CB -0.661 38.537 39.000 0.330 0.000 0.991 198 F HN 0.189 nan 8.300 nan 0.000 0.474 199 A N -0.268 122.867 122.820 0.524 0.000 1.933 199 A HA -0.151 4.170 4.320 0.002 0.000 0.218 199 A C 1.959 179.569 177.584 0.043 0.000 1.175 199 A CA 1.621 53.808 52.037 0.250 0.000 0.628 199 A CB -1.365 17.660 19.000 0.040 0.000 0.814 199 A HN 0.455 nan 8.150 nan 0.000 0.444 200 F N -1.942 118.148 119.950 0.234 0.000 2.293 200 F HA 0.063 4.591 4.527 0.002 0.000 0.297 200 F C 1.900 177.721 175.800 0.036 0.000 1.089 200 F CA 0.594 58.682 58.000 0.147 0.000 1.377 200 F CB -0.678 38.426 39.000 0.172 0.000 1.051 200 F HN 0.336 nan 8.300 nan 0.000 0.511 201 F N 0.593 120.574 119.950 0.051 0.000 2.113 201 F HA -0.127 4.402 4.527 0.002 0.000 0.297 201 F C 2.391 178.130 175.800 -0.102 0.000 1.103 201 F CA 1.301 59.101 58.000 -0.333 0.000 1.248 201 F CB -0.492 38.549 39.000 0.069 0.000 0.999 201 F HN -0.072 nan 8.300 nan 0.000 0.475 202 A N -0.079 122.890 122.820 0.248 0.000 1.859 202 A HA -0.326 3.995 4.320 0.002 0.000 0.217 202 A C 2.208 179.808 177.584 0.027 0.000 1.198 202 A CA 2.111 54.283 52.037 0.225 0.000 0.629 202 A CB -1.243 17.937 19.000 0.300 0.000 0.830 202 A HN 0.585 nan 8.150 nan 0.000 0.446 203 Q N -1.667 118.136 119.800 0.005 0.000 2.084 203 Q HA -0.269 4.072 4.340 0.002 0.000 0.202 203 Q C 2.023 177.938 176.000 -0.142 0.000 0.978 203 Q CA 2.053 57.812 55.803 -0.074 0.000 0.844 203 Q CB -0.242 28.427 28.738 -0.115 0.000 0.898 203 Q HN 0.906 nan 8.270 nan 0.000 0.426 204 H N -0.633 118.267 119.070 -0.283 0.000 2.293 204 H HA -0.188 4.369 4.556 0.002 0.000 0.300 204 H C 1.698 176.857 175.328 -0.281 0.000 1.082 204 H CA 2.214 58.066 56.048 -0.327 0.000 1.308 204 H CB -0.491 29.015 29.762 -0.427 0.000 1.375 204 H HN 0.342 nan 8.280 nan 0.000 0.495 205 F N 1.270 120.908 119.950 -0.519 0.000 2.126 205 F HA -0.208 4.320 4.527 0.002 0.000 0.299 205 F C 2.524 177.757 175.800 -0.944 0.000 1.096 205 F CA 2.157 59.736 58.000 -0.701 0.000 1.255 205 F CB -0.832 37.803 39.000 -0.608 0.000 0.997 205 F HN 0.376 nan 8.300 nan 0.000 0.479 206 T N -3.056 110.948 114.554 -0.916 0.000 2.904 206 T HA -0.185 4.167 4.350 0.002 0.000 0.267 206 T C 1.449 175.320 174.700 -1.380 0.000 1.059 206 T CA 1.620 62.867 62.100 -1.422 0.000 1.137 206 T CB -0.896 67.496 68.868 -0.793 0.000 0.879 206 T HN 0.372 nan 8.240 nan 0.000 0.467 207 H N 1.881 120.432 119.070 -0.865 0.000 2.553 207 H HA 0.137 4.695 4.556 0.002 0.000 0.269 207 H C 2.321 177.221 175.328 -0.712 0.000 1.011 207 H CA 0.795 56.510 56.048 -0.555 0.000 1.150 207 H CB -0.238 29.447 29.762 -0.130 0.000 1.339 207 H HN 0.746 nan 8.280 nan 0.000 0.604 208 Q N -0.406 118.756 119.800 -1.064 0.000 2.376 208 Q HA -0.022 4.320 4.340 0.002 0.000 0.206 208 Q C 0.711 176.340 176.000 -0.620 0.000 0.921 208 Q CA 0.808 56.102 55.803 -0.849 0.000 0.911 208 Q CB 0.008 28.118 28.738 -1.047 0.000 1.032 208 Q HN 0.571 nan 8.270 nan 0.000 0.510 209 F N -2.856 116.701 119.950 -0.654 0.000 2.728 209 F HA 0.499 5.027 4.527 0.002 0.000 0.314 209 F C -0.311 175.133 175.800 -0.593 0.000 1.094 209 F CA -1.150 56.477 58.000 -0.622 0.000 1.217 209 F CB 0.567 39.171 39.000 -0.660 0.000 1.056 209 F HN -0.220 nan 8.300 nan 0.000 0.577 210 F N 3.242 122.967 119.950 -0.375 0.000 2.293 210 F HA 0.513 5.041 4.527 0.002 0.000 0.370 210 F C -0.057 175.565 175.800 -0.297 0.000 1.090 210 F CA -1.409 56.433 58.000 -0.264 0.000 1.133 210 F CB 1.111 39.804 39.000 -0.512 0.000 1.360 210 F HN -0.083 nan 8.300 nan 0.000 0.489 211 K N 2.034 122.464 120.400 0.050 0.000 2.992 211 K HA 0.205 4.527 4.320 0.002 0.000 0.178 211 K C -0.568 176.052 176.600 0.034 0.000 1.122 211 K CA -0.297 55.972 56.287 -0.030 0.000 0.926 211 K CB 1.177 33.611 32.500 -0.111 0.000 1.121 211 K HN 0.362 nan 8.250 nan 0.000 0.610 212 T N 1.162 115.794 114.554 0.130 0.000 2.817 212 T HA -0.039 4.312 4.350 0.002 0.000 0.295 212 T C 0.566 175.311 174.700 0.075 0.000 0.958 212 T CA 0.395 62.603 62.100 0.181 0.000 1.157 212 T CB 0.786 69.782 68.868 0.213 0.000 0.898 212 T HN 0.203 nan 8.240 nan 0.000 0.536 213 S N 3.211 118.944 115.700 0.056 0.000 2.503 213 S HA 0.219 4.690 4.470 0.002 0.000 0.317 213 S C 1.791 176.401 174.600 0.017 0.000 1.162 213 S CA -0.472 57.734 58.200 0.010 0.000 1.124 213 S CB -0.421 62.760 63.200 -0.032 0.000 1.207 213 S HN 0.867 nan 8.310 nan 0.000 0.538 214 G N 5.054 113.858 108.800 0.007 0.000 2.450 214 G HA2 -0.239 3.722 3.960 0.002 0.000 0.220 214 G HA3 -0.239 3.722 3.960 0.002 0.000 0.220 214 G C 1.617 176.512 174.900 -0.009 0.000 1.130 214 G CA 0.985 46.088 45.100 0.006 0.000 0.760 214 G HN 0.756 nan 8.290 nan 0.000 0.557 215 K N -0.250 120.131 120.400 -0.033 0.000 2.166 215 K HA 0.197 4.518 4.320 0.002 0.000 0.201 215 K C 2.297 178.832 176.600 -0.108 0.000 1.052 215 K CA 0.499 56.754 56.287 -0.055 0.000 0.969 215 K CB -0.404 32.065 32.500 -0.051 0.000 0.761 215 K HN 0.317 nan 8.250 nan 0.000 0.459 216 M N 0.927 120.425 119.600 -0.171 0.000 2.200 216 M HA 0.036 4.518 4.480 0.002 0.000 0.265 216 M C 0.720 176.879 176.300 -0.235 0.000 1.066 216 M CA 1.341 56.420 55.300 -0.368 0.000 1.127 216 M CB -0.100 32.109 32.600 -0.651 0.000 1.379 216 M HN 0.508 nan 8.290 nan 0.000 0.420 217 G N -0.084 108.710 108.800 -0.009 0.000 2.381 217 G HA2 -0.030 3.931 3.960 0.002 0.000 0.672 217 G HA3 -0.030 3.931 3.960 0.002 0.000 0.672 217 G C -3.229 171.826 174.900 0.259 0.000 1.324 217 G CA -1.380 43.799 45.100 0.132 0.000 0.975 217 G HN -0.019 nan 8.290 nan 0.000 0.593 218 P HA 0.437 nan 4.420 nan 0.000 0.271 218 P C 1.058 178.469 177.300 0.185 0.000 1.216 218 P CA 1.865 65.068 63.100 0.172 0.000 0.771 218 P CB 1.059 32.817 31.700 0.097 0.000 0.864 219 G N 0.889 109.811 108.800 0.203 0.000 2.213 219 G HA2 -0.214 3.747 3.960 0.002 0.000 0.226 219 G HA3 -0.214 3.747 3.960 0.002 0.000 0.226 219 G C -0.144 174.723 174.900 -0.055 0.000 0.992 219 G CA -0.525 44.649 45.100 0.123 0.000 0.632 219 G HN 0.405 nan 8.290 nan 0.000 0.511 220 F N 0.750 120.730 119.950 0.049 0.000 2.440 220 F HA 0.772 5.301 4.527 0.002 0.000 0.328 220 F C 0.678 176.276 175.800 -0.337 0.000 1.070 220 F CA 0.096 57.973 58.000 -0.205 0.000 1.011 220 F CB 2.325 41.188 39.000 -0.229 0.000 1.226 220 F HN 0.042 nan 8.300 nan 0.000 0.491 221 T N 0.656 115.024 114.554 -0.309 0.000 2.916 221 T HA 0.296 4.647 4.350 0.002 0.000 0.305 221 T C 0.257 174.811 174.700 -0.245 0.000 1.119 221 T CA -0.700 61.131 62.100 -0.449 0.000 1.008 221 T CB 1.487 69.734 68.868 -1.036 0.000 1.129 221 T HN 0.642 nan 8.240 nan 0.000 0.480 222 K N 1.753 122.042 120.400 -0.184 0.000 2.323 222 K HA 0.266 4.588 4.320 0.002 0.000 0.197 222 K C 0.958 177.457 176.600 -0.168 0.000 1.043 222 K CA 0.160 56.363 56.287 -0.139 0.000 0.997 222 K CB 0.317 32.761 32.500 -0.093 0.000 0.807 222 K HN 0.626 nan 8.250 nan 0.000 0.497 223 A N 2.274 124.956 122.820 -0.229 0.000 2.797 223 A HA 0.158 4.479 4.320 0.002 0.000 0.296 223 A C 1.043 178.427 177.584 -0.333 0.000 1.580 223 A CA -0.004 51.884 52.037 -0.249 0.000 1.277 223 A CB -0.701 18.142 19.000 -0.261 0.000 1.101 223 A HN 0.192 nan 8.150 nan 0.000 0.562 224 L N 1.865 122.976 121.223 -0.187 0.000 2.492 224 L HA 0.022 4.363 4.340 0.002 0.000 0.223 224 L C 2.401 179.296 176.870 0.041 0.000 1.132 224 L CA 0.813 55.606 54.840 -0.080 0.000 0.850 224 L CB -0.081 41.963 42.059 -0.025 0.000 0.966 224 L HN 0.710 nan 8.230 nan 0.000 0.454 225 G N -2.085 106.702 108.800 -0.021 0.000 2.534 225 G HA2 -0.159 3.802 3.960 0.002 0.000 0.217 225 G HA3 -0.159 3.802 3.960 0.002 0.000 0.217 225 G C 0.567 175.526 174.900 0.097 0.000 1.128 225 G CA -0.111 45.012 45.100 0.039 0.000 0.784 225 G HN 0.560 nan 8.290 nan 0.000 0.542 226 H N -0.272 118.776 119.070 -0.037 0.000 2.604 226 H HA -0.165 4.392 4.556 0.002 0.000 0.321 226 H C 1.176 176.462 175.328 -0.070 0.000 1.132 226 H CA 1.126 57.151 56.048 -0.039 0.000 1.129 226 H CB -1.359 28.376 29.762 -0.045 0.000 1.526 226 H HN 0.850 nan 8.280 nan 0.000 0.415 227 G N -1.639 107.154 108.800 -0.012 0.000 2.441 227 G HA2 0.090 4.051 3.960 0.002 0.000 0.222 227 G HA3 0.090 4.051 3.960 0.002 0.000 0.222 227 G C -0.631 174.284 174.900 0.025 0.000 1.254 227 G CA -0.301 44.728 45.100 -0.119 0.000 0.959 227 G HN 0.233 nan 8.290 nan 0.000 0.474 228 V N 2.674 122.605 119.914 0.028 0.000 2.071 228 V HA 0.270 4.391 4.120 0.002 0.000 0.254 228 V C 0.716 176.872 176.094 0.104 0.000 1.456 228 V CA 0.884 63.237 62.300 0.089 0.000 1.383 228 V CB 0.138 32.075 31.823 0.190 0.000 1.433 228 V HN 0.758 nan 8.190 nan 0.000 0.499 229 D N 2.389 122.835 120.400 0.077 0.000 2.379 229 D HA 0.017 4.658 4.640 0.002 0.000 0.208 229 D C 0.827 177.213 176.300 0.142 0.000 1.065 229 D CA -0.390 53.671 54.000 0.102 0.000 0.848 229 D CB 0.397 41.241 40.800 0.073 0.000 0.949 229 D HN 0.262 nan 8.370 nan 0.000 0.509 230 L N 0.625 121.925 121.223 0.128 0.000 3.717 230 L HA -0.130 4.211 4.340 0.002 0.000 0.411 230 L C 1.511 178.473 176.870 0.154 0.000 1.233 230 L CA 0.589 55.528 54.840 0.165 0.000 0.917 230 L CB -2.075 40.074 42.059 0.151 0.000 1.902 230 L HN 0.318 nan 8.230 nan 0.000 0.894 231 G N -0.836 108.030 108.800 0.110 0.000 2.776 231 G HA2 -0.095 3.866 3.960 0.002 0.000 0.209 231 G HA3 -0.095 3.866 3.960 0.002 0.000 0.209 231 G C 1.093 175.961 174.900 -0.052 0.000 1.145 231 G CA 0.615 45.730 45.100 0.026 0.000 0.791 231 G HN 0.808 nan 8.290 nan 0.000 0.530 232 H N -1.293 117.585 119.070 -0.318 0.000 2.652 232 H HA 0.335 4.893 4.556 0.002 0.000 0.274 232 H C 1.508 176.629 175.328 -0.345 0.000 1.021 232 H CA -0.444 55.331 56.048 -0.457 0.000 1.187 232 H CB -0.035 29.381 29.762 -0.578 0.000 1.505 232 H HN 0.415 nan 8.280 nan 0.000 0.530 233 I N -0.772 119.443 120.570 -0.592 0.000 3.971 233 I HA 0.019 4.190 4.170 0.002 0.000 0.303 233 I C 0.638 176.396 176.117 -0.598 0.000 1.233 233 I CA 0.125 61.009 61.300 -0.693 0.000 1.346 233 I CB 0.371 37.749 38.000 -1.036 0.000 1.273 233 I HN -0.037 nan 8.210 nan 0.000 0.448 234 Y N 1.301 121.568 120.300 -0.054 0.000 2.531 234 Y HA 0.568 5.119 4.550 0.002 0.000 0.249 234 Y C 1.032 176.937 175.900 0.008 0.000 1.168 234 Y CA -0.313 57.807 58.100 0.033 0.000 1.226 234 Y CB 0.193 38.741 38.460 0.145 0.000 1.177 234 Y HN 0.096 nan 8.280 nan 0.000 0.527 235 G N 1.379 110.203 108.800 0.040 0.000 2.712 235 G HA2 -0.267 3.694 3.960 0.002 0.000 0.686 235 G HA3 -0.267 3.694 3.960 0.002 0.000 0.686 235 G C -0.003 174.896 174.900 -0.002 0.000 1.321 235 G CA -0.148 44.948 45.100 -0.007 0.000 0.813 235 G HN 0.427 nan 8.290 nan 0.000 0.599 236 D N -0.244 120.130 120.400 -0.045 0.000 2.289 236 D HA 0.041 4.682 4.640 0.002 0.000 0.207 236 D C 1.005 177.280 176.300 -0.041 0.000 0.966 236 D CA 1.171 55.141 54.000 -0.051 0.000 0.868 236 D CB 0.074 40.826 40.800 -0.081 0.000 0.943 236 D HN 0.755 nan 8.370 nan 0.000 0.514 237 N N -0.029 118.644 118.700 -0.045 0.000 2.453 237 N HA 0.096 4.838 4.740 0.002 0.000 0.290 237 N C 0.485 175.941 175.510 -0.090 0.000 1.250 237 N CA -0.822 52.190 53.050 -0.062 0.000 0.815 237 N CB 1.881 40.326 38.487 -0.069 0.000 1.381 237 N HN -0.057 nan 8.380 nan 0.000 0.510 238 L N 0.073 121.207 121.223 -0.150 0.000 2.072 238 L HA -0.142 4.200 4.340 0.002 0.000 0.205 238 L C 2.705 179.302 176.870 -0.454 0.000 1.079 238 L CA 2.478 57.135 54.840 -0.305 0.000 0.752 238 L CB -0.779 41.077 42.059 -0.338 0.000 0.906 238 L HN 0.896 nan 8.230 nan 0.000 0.436 239 E N 0.125 120.155 120.200 -0.283 0.000 2.150 239 E HA -0.289 4.062 4.350 0.002 0.000 0.193 239 E C 2.190 178.750 176.600 -0.066 0.000 0.985 239 E CA 1.306 57.596 56.400 -0.184 0.000 0.814 239 E CB -0.602 29.040 29.700 -0.098 0.000 0.752 239 E HN 0.470 nan 8.360 nan 0.000 0.466 240 R N -0.369 120.095 120.500 -0.061 0.000 2.075 240 R HA -0.161 4.180 4.340 0.002 0.000 0.232 240 R C 2.688 179.001 176.300 0.021 0.000 1.126 240 R CA 1.667 57.758 56.100 -0.016 0.000 0.963 240 R CB -0.202 30.080 30.300 -0.030 0.000 0.858 240 R HN 0.580 nan 8.270 nan 0.000 0.435 241 Q N -0.305 119.504 119.800 0.014 0.000 2.061 241 Q HA -0.230 4.111 4.340 0.002 0.000 0.204 241 Q C 1.628 177.707 176.000 0.133 0.000 0.984 241 Q CA 1.847 57.699 55.803 0.080 0.000 0.846 241 Q CB -0.256 28.537 28.738 0.091 0.000 0.902 241 Q HN 0.599 nan 8.270 nan 0.000 0.421 242 Y N -0.404 119.891 120.300 -0.009 0.000 2.352 242 Y HA -0.208 4.343 4.550 0.002 0.000 0.292 242 Y C 2.475 178.453 175.900 0.130 0.000 1.136 242 Y CA 0.591 58.758 58.100 0.112 0.000 1.227 242 Y CB 0.224 38.834 38.460 0.250 0.000 0.991 242 Y HN 0.305 nan 8.280 nan 0.000 0.545 243 Q N 0.333 120.263 119.800 0.217 0.000 2.230 243 Q HA -0.112 4.229 4.340 0.002 0.000 0.202 243 Q C 1.775 177.816 176.000 0.069 0.000 0.963 243 Q CA 1.019 56.899 55.803 0.128 0.000 0.866 243 Q CB -0.072 28.712 28.738 0.076 0.000 0.931 243 Q HN 0.364 nan 8.270 nan 0.000 0.452 244 L N -0.382 120.863 121.223 0.038 0.000 2.270 244 L HA 0.091 4.432 4.340 0.002 0.000 0.210 244 L C 0.447 177.282 176.870 -0.059 0.000 1.104 244 L CA 0.806 55.651 54.840 0.009 0.000 0.804 244 L CB 0.006 42.082 42.059 0.028 0.000 0.937 244 L HN -0.045 nan 8.230 nan 0.000 0.450 245 R N -0.288 120.083 120.500 -0.216 0.000 2.491 245 R HA 0.069 4.410 4.340 0.002 0.000 0.283 245 R C 1.009 177.099 176.300 -0.350 0.000 1.072 245 R CA -0.099 55.690 56.100 -0.518 0.000 1.048 245 R CB 0.702 30.229 30.300 -1.290 0.000 0.983 245 R HN 0.075 nan 8.270 nan 0.000 0.450 246 L N 3.350 124.450 121.223 -0.205 0.000 2.418 246 L HA 0.080 4.421 4.340 0.002 0.000 0.218 246 L C -0.050 176.863 176.870 0.073 0.000 1.125 246 L CA 0.807 55.641 54.840 -0.010 0.000 0.835 246 L CB 0.100 42.204 42.059 0.076 0.000 0.953 246 L HN 0.794 nan 8.230 nan 0.000 0.454 247 F N -0.767 119.153 119.950 -0.050 0.000 3.093 247 F HA -0.302 4.226 4.527 0.002 0.000 0.287 247 F C 0.450 176.241 175.800 -0.015 0.000 0.882 247 F CA 0.886 58.840 58.000 -0.076 0.000 1.063 247 F CB -2.095 36.827 39.000 -0.129 0.000 1.097 247 F HN 0.194 nan 8.300 nan 0.000 0.604 248 K N -0.179 120.302 120.400 0.135 0.000 2.565 248 K HA 0.590 4.912 4.320 0.002 0.000 0.249 248 K C 0.292 176.972 176.600 0.133 0.000 0.958 248 K CA -0.210 56.154 56.287 0.128 0.000 0.806 248 K CB 1.082 33.650 32.500 0.113 0.000 1.194 248 K HN 0.166 nan 8.250 nan 0.000 0.434 249 D N 1.125 121.607 120.400 0.137 0.000 3.076 249 D HA -0.193 4.448 4.640 0.002 0.000 0.218 249 D C 1.004 177.412 176.300 0.180 0.000 1.156 249 D CA 2.740 56.829 54.000 0.149 0.000 0.921 249 D CB -1.481 39.398 40.800 0.131 0.000 1.113 249 D HN 2.149 nan 8.370 nan 0.000 0.418 250 G N -0.362 108.552 108.800 0.191 0.000 2.155 250 G HA2 -0.390 3.571 3.960 0.002 0.000 0.257 250 G HA3 -0.390 3.571 3.960 0.002 0.000 0.257 250 G C 0.294 175.445 174.900 0.419 0.000 0.983 250 G CA 0.930 46.201 45.100 0.284 0.000 0.676 250 G HN 0.512 nan 8.290 nan 0.000 0.528 251 K N -0.565 120.006 120.400 0.286 0.000 2.098 251 K HA 0.660 4.982 4.320 0.002 0.000 0.257 251 K C 0.593 177.323 176.600 0.218 0.000 0.999 251 K CA -0.746 55.742 56.287 0.336 0.000 0.924 251 K CB 0.900 33.551 32.500 0.252 0.000 1.028 251 K HN 0.141 nan 8.250 nan 0.000 0.466 252 L N 1.569 122.925 121.223 0.221 0.000 2.421 252 L HA 0.293 4.634 4.340 0.002 0.000 0.263 252 L C 0.357 177.355 176.870 0.212 0.000 1.122 252 L CA -0.474 54.437 54.840 0.118 0.000 0.804 252 L CB 0.369 42.483 42.059 0.092 0.000 1.150 252 L HN 0.367 nan 8.230 nan 0.000 0.457 253 K N 0.893 121.377 120.400 0.139 0.000 2.380 253 K HA 0.309 4.630 4.320 0.002 0.000 0.267 253 K C -1.238 175.518 176.600 0.259 0.000 0.990 253 K CA 0.290 56.666 56.287 0.148 0.000 0.946 253 K CB 0.447 32.975 32.500 0.046 0.000 0.937 253 K HN 0.572 nan 8.250 nan 0.000 0.491 254 Y N -1.927 118.402 120.300 0.048 0.000 2.592 254 Y HA 0.237 4.788 4.550 0.002 0.000 0.334 254 Y C -1.482 174.455 175.900 0.062 0.000 1.136 254 Y CA -1.403 56.733 58.100 0.060 0.000 1.042 254 Y CB 0.981 39.475 38.460 0.057 0.000 1.325 254 Y HN 0.570 nan 8.280 nan 0.000 0.457 255 Q N 3.236 123.124 119.800 0.147 0.000 2.345 255 Q HA 0.672 5.013 4.340 0.002 0.000 0.268 255 Q C -1.282 174.843 176.000 0.209 0.000 1.054 255 Q CA -1.216 54.633 55.803 0.077 0.000 0.835 255 Q CB 2.557 31.329 28.738 0.057 0.000 1.339 255 Q HN 0.679 nan 8.270 nan 0.000 0.447 256 M N 3.212 122.900 119.600 0.147 0.000 2.157 256 M HA 0.444 4.926 4.480 0.002 0.000 0.354 256 M C -1.208 175.187 176.300 0.159 0.000 1.170 256 M CA -0.322 55.092 55.300 0.190 0.000 1.060 256 M CB 0.713 33.397 32.600 0.140 0.000 1.615 256 M HN 0.700 nan 8.290 nan 0.000 0.460 257 L N 4.463 125.829 121.223 0.239 0.000 2.406 257 L HA 0.408 4.750 4.340 0.002 0.000 0.272 257 L C 0.247 177.216 176.870 0.165 0.000 0.980 257 L CA -0.442 54.475 54.840 0.129 0.000 0.831 257 L CB 1.685 43.729 42.059 -0.026 0.000 1.253 257 L HN 0.724 nan 8.230 nan 0.000 0.406 258 N N 2.538 121.288 118.700 0.082 0.000 2.753 258 N HA -0.214 4.527 4.740 0.002 0.000 0.251 258 N C 0.903 176.463 175.510 0.084 0.000 1.097 258 N CA 1.411 54.504 53.050 0.071 0.000 0.786 258 N CB -0.920 37.606 38.487 0.065 0.000 1.137 258 N HN 1.144 nan 8.380 nan 0.000 0.566 259 G N -1.442 107.413 108.800 0.092 0.000 2.176 259 G HA2 -0.289 3.672 3.960 0.002 0.000 0.253 259 G HA3 -0.289 3.672 3.960 0.002 0.000 0.253 259 G C -0.238 174.704 174.900 0.069 0.000 0.979 259 G CA 0.617 45.760 45.100 0.071 0.000 0.641 259 G HN 0.456 nan 8.290 nan 0.000 0.530 260 E N -0.476 119.791 120.200 0.111 0.000 2.235 260 E HA 0.584 4.935 4.350 0.002 0.000 0.265 260 E C -0.052 176.518 176.600 -0.050 0.000 0.940 260 E CA -0.801 55.599 56.400 0.000 0.000 0.819 260 E CB 2.352 32.039 29.700 -0.021 0.000 1.206 260 E HN 0.132 nan 8.360 nan 0.000 0.409 261 V N 2.600 122.358 119.914 -0.260 0.000 2.406 261 V HA 0.250 4.371 4.120 0.002 0.000 0.272 261 V C -0.806 175.034 176.094 -0.424 0.000 1.043 261 V CA -0.126 62.066 62.300 -0.180 0.000 0.915 261 V CB -0.405 31.292 31.823 -0.209 0.000 0.988 261 V HN 0.496 nan 8.190 nan 0.000 0.466 262 Y N 4.452 124.820 120.300 0.114 0.000 2.581 262 Y HA 0.498 5.049 4.550 0.002 0.000 0.345 262 Y C -2.412 173.563 175.900 0.126 0.000 1.036 262 Y CA -2.821 55.331 58.100 0.088 0.000 1.042 262 Y CB 2.249 40.744 38.460 0.057 0.000 1.289 262 Y HN 0.425 nan 8.280 nan 0.000 0.471 263 P HA 0.028 nan 4.420 nan 0.000 0.266 263 P C -2.509 174.889 177.300 0.165 0.000 1.195 263 P CA -0.751 62.467 63.100 0.197 0.000 0.768 263 P CB 0.071 31.872 31.700 0.168 0.000 0.838 264 P HA 0.058 nan 4.420 nan 0.000 0.277 264 P C -0.388 176.938 177.300 0.044 0.000 1.271 264 P CA -0.198 62.944 63.100 0.070 0.000 0.795 264 P CB 0.451 32.176 31.700 0.043 0.000 1.101 265 S N -0.837 114.869 115.700 0.010 0.000 2.645 265 S HA 0.140 4.611 4.470 0.002 0.000 0.266 265 S C 1.466 176.051 174.600 -0.025 0.000 1.258 265 S CA -0.699 57.490 58.200 -0.018 0.000 0.990 265 S CB -0.058 63.119 63.200 -0.039 0.000 0.967 265 S HN 0.225 nan 8.310 nan 0.000 0.556 266 V N 0.884 120.766 119.914 -0.054 0.000 2.759 266 V HA -0.118 4.003 4.120 0.002 0.000 0.256 266 V C 2.628 178.695 176.094 -0.045 0.000 1.080 266 V CA 2.053 64.321 62.300 -0.053 0.000 1.101 266 V CB -1.268 30.501 31.823 -0.090 0.000 0.698 266 V HN 1.009 nan 8.190 nan 0.000 0.477 267 E N -0.063 120.108 120.200 -0.049 0.000 2.077 267 E HA -0.211 4.140 4.350 0.002 0.000 0.193 267 E C 2.240 178.823 176.600 -0.027 0.000 0.989 267 E CA 1.163 57.539 56.400 -0.040 0.000 0.800 267 E CB 0.110 29.785 29.700 -0.043 0.000 0.746 267 E HN 0.580 nan 8.360 nan 0.000 0.452 268 E N -0.237 119.949 120.200 -0.024 0.000 2.051 268 E HA -0.020 4.331 4.350 0.002 0.000 0.189 268 E C 0.195 176.793 176.600 -0.004 0.000 0.979 268 E CA 0.786 57.176 56.400 -0.016 0.000 0.803 268 E CB 0.300 29.988 29.700 -0.020 0.000 0.761 268 E HN 0.142 nan 8.360 nan 0.000 0.451 269 A N 2.388 125.208 122.820 -0.000 0.000 2.664 269 A HA 0.404 4.726 4.320 0.002 0.000 0.338 269 A C -2.498 175.087 177.584 0.002 0.000 1.280 269 A CA -1.509 50.534 52.037 0.011 0.000 0.809 269 A CB 0.572 19.585 19.000 0.022 0.000 1.114 269 A HN -0.165 nan 8.150 nan 0.000 0.479 270 P HA 0.189 nan 4.420 nan 0.000 0.252 270 P C -0.189 177.104 177.300 -0.013 0.000 1.694 270 P CA 0.416 63.508 63.100 -0.013 0.000 1.163 270 P CB -0.072 31.621 31.700 -0.011 0.000 1.934 271 V N 0.519 120.422 119.914 -0.018 0.000 2.864 271 V HA 0.420 4.541 4.120 0.002 0.000 0.314 271 V C -0.106 175.963 176.094 -0.042 0.000 1.073 271 V CA -1.437 60.849 62.300 -0.024 0.000 0.956 271 V CB 2.326 34.141 31.823 -0.014 0.000 1.023 271 V HN 0.076 nan 8.190 nan 0.000 0.435 272 L N 4.509 125.693 121.223 -0.064 0.000 2.562 272 L HA 0.330 4.671 4.340 0.002 0.000 0.271 272 L C -0.616 176.182 176.870 -0.120 0.000 1.167 272 L CA 0.906 55.679 54.840 -0.112 0.000 0.917 272 L CB 0.573 42.546 42.059 -0.144 0.000 1.187 272 L HN 0.747 nan 8.230 nan 0.000 0.482 273 M N 5.426 124.974 119.600 -0.087 0.000 2.197 273 M HA 0.220 4.701 4.480 0.002 0.000 0.301 273 M C -0.653 175.694 176.300 0.079 0.000 0.987 273 M CA -0.573 54.755 55.300 0.045 0.000 0.921 273 M CB 1.275 34.019 32.600 0.239 0.000 1.569 273 M HN 0.443 nan 8.290 nan 0.000 0.431 274 H N 2.931 122.096 119.070 0.158 0.000 3.205 274 H HA 0.272 4.830 4.556 0.002 0.000 0.262 274 H C -1.185 174.207 175.328 0.106 0.000 1.333 274 H CA 0.653 56.772 56.048 0.119 0.000 1.499 274 H CB -0.190 29.611 29.762 0.064 0.000 1.609 274 H HN 0.414 nan 8.280 nan 0.000 0.498 275 Y N 2.273 122.638 120.300 0.108 0.000 2.496 275 Y HA 0.285 4.837 4.550 0.002 0.000 0.331 275 Y C -1.669 174.239 175.900 0.012 0.000 1.140 275 Y CA -2.657 55.483 58.100 0.067 0.000 1.166 275 Y CB 0.956 39.433 38.460 0.030 0.000 1.249 275 Y HN 0.502 nan 8.280 nan 0.000 0.479 276 P HA 0.113 nan 4.420 nan 0.000 0.267 276 P C -0.541 176.758 177.300 -0.002 0.000 1.200 276 P CA -0.138 62.911 63.100 -0.085 0.000 0.772 276 P CB 0.361 31.904 31.700 -0.260 0.000 0.855 277 R N 1.859 122.342 120.500 -0.029 0.000 2.502 277 R HA 0.402 4.743 4.340 0.002 0.000 0.292 277 R C 1.390 177.682 176.300 -0.012 0.000 0.998 277 R CA 0.461 56.555 56.100 -0.009 0.000 1.056 277 R CB -1.508 28.782 30.300 -0.017 0.000 0.939 277 R HN 0.967 nan 8.270 nan 0.000 0.411 278 G N 1.207 110.005 108.800 -0.004 0.000 2.307 278 G HA2 -0.179 3.782 3.960 0.002 0.000 0.210 278 G HA3 -0.179 3.782 3.960 0.002 0.000 0.210 278 G C 0.342 175.236 174.900 -0.011 0.000 1.005 278 G CA -0.014 45.081 45.100 -0.009 0.000 0.634 278 G HN 0.794 nan 8.290 nan 0.000 0.496 279 I N 4.626 125.197 120.570 0.003 0.000 2.421 279 I HA 0.260 4.431 4.170 0.002 0.000 0.291 279 I C -1.430 174.639 176.117 -0.080 0.000 1.089 279 I CA -1.598 59.694 61.300 -0.013 0.000 1.354 279 I CB 0.790 38.831 38.000 0.068 0.000 1.413 279 I HN 0.030 nan 8.210 nan 0.000 0.513 280 P HA 0.210 nan 4.420 nan 0.000 0.274 280 P C -2.324 174.876 177.300 -0.167 0.000 1.231 280 P CA -1.717 61.321 63.100 -0.104 0.000 0.790 280 P CB 0.424 32.080 31.700 -0.074 0.000 0.951 281 P HA -0.201 nan 4.420 nan 0.000 0.217 281 P C 1.713 178.914 177.300 -0.164 0.000 1.148 281 P CA 1.665 64.657 63.100 -0.180 0.000 0.828 281 P CB -0.167 31.464 31.700 -0.116 0.000 0.783 282 Q N -0.860 118.868 119.800 -0.119 0.000 2.224 282 Q HA -0.046 4.296 4.340 0.002 0.000 0.203 282 Q C 1.370 177.308 176.000 -0.103 0.000 0.970 282 Q CA 1.626 57.373 55.803 -0.094 0.000 0.865 282 Q CB -1.291 27.406 28.738 -0.068 0.000 0.922 282 Q HN 0.190 nan 8.270 nan 0.000 0.445 283 S N 0.702 116.323 115.700 -0.132 0.000 2.593 283 S HA 0.092 4.564 4.470 0.002 0.000 0.217 283 S C 0.384 174.881 174.600 -0.171 0.000 0.966 283 S CA -0.080 58.048 58.200 -0.121 0.000 0.914 283 S CB 0.176 63.319 63.200 -0.095 0.000 0.776 283 S HN 0.382 nan 8.310 nan 0.000 0.523 284 Q N 0.428 120.060 119.800 -0.280 0.000 2.169 284 Q HA 0.591 4.932 4.340 0.002 0.000 0.234 284 Q C -0.623 175.314 176.000 -0.104 0.000 0.980 284 Q CA -0.288 55.267 55.803 -0.413 0.000 0.941 284 Q CB 0.949 29.190 28.738 -0.828 0.000 1.199 284 Q HN 0.243 nan 8.270 nan 0.000 0.496 285 M N 0.687 120.325 119.600 0.063 0.000 2.395 285 M HA 0.524 5.005 4.480 0.002 0.000 0.307 285 M C -1.307 175.073 176.300 0.133 0.000 1.091 285 M CA -0.793 54.569 55.300 0.104 0.000 0.919 285 M CB 2.224 34.905 32.600 0.135 0.000 1.662 285 M HN 0.676 nan 8.290 nan 0.000 0.440 286 A N 3.437 126.310 122.820 0.089 0.000 2.252 286 A HA 0.739 5.061 4.320 0.002 0.000 0.309 286 A C -0.362 177.269 177.584 0.079 0.000 1.285 286 A CA -0.523 51.559 52.037 0.074 0.000 0.900 286 A CB 0.212 19.235 19.000 0.040 0.000 1.157 286 A HN 0.743 nan 8.150 nan 0.000 0.536 287 V N 0.043 119.999 119.914 0.070 0.000 3.105 287 V HA 0.876 4.997 4.120 0.002 0.000 0.311 287 V C 1.110 177.179 176.094 -0.042 0.000 1.287 287 V CA -0.032 62.292 62.300 0.040 0.000 1.066 287 V CB 0.982 32.876 31.823 0.118 0.000 1.105 287 V HN 0.880 nan 8.190 nan 0.000 0.462 288 G N -1.083 107.649 108.800 -0.114 0.000 2.422 288 G HA2 -0.014 3.947 3.960 0.002 0.000 0.218 288 G HA3 -0.014 3.947 3.960 0.002 0.000 0.218 288 G C 0.683 175.432 174.900 -0.253 0.000 1.140 288 G CA 0.575 45.574 45.100 -0.167 0.000 0.775 288 G HN 0.602 nan 8.290 nan 0.000 0.545 289 Q N 0.046 119.567 119.800 -0.465 0.000 2.307 289 Q HA 0.272 4.614 4.340 0.002 0.000 0.262 289 Q C 0.596 176.362 176.000 -0.391 0.000 0.961 289 Q CA -0.265 55.137 55.803 -0.668 0.000 0.882 289 Q CB 1.893 29.627 28.738 -1.673 0.000 1.264 289 Q HN 0.268 nan 8.270 nan 0.000 0.446 290 E N 1.415 121.516 120.200 -0.166 0.000 2.153 290 E HA -0.159 4.193 4.350 0.002 0.000 0.194 290 E C 1.510 178.176 176.600 0.110 0.000 0.988 290 E CA 1.483 57.890 56.400 0.011 0.000 0.811 290 E CB 0.005 29.767 29.700 0.103 0.000 0.746 290 E HN 0.524 nan 8.360 nan 0.000 0.466 291 V N -1.837 118.137 119.914 0.100 0.000 3.623 291 V HA 0.054 4.175 4.120 0.002 0.000 0.271 291 V C 1.181 177.426 176.094 0.252 0.000 1.248 291 V CA 0.507 62.912 62.300 0.175 0.000 1.156 291 V CB -0.537 31.391 31.823 0.176 0.000 0.870 291 V HN 0.003 nan 8.190 nan 0.000 0.453 292 F N 2.707 122.640 119.950 -0.028 0.000 2.502 292 F HA 0.331 4.859 4.527 0.002 0.000 0.298 292 F C 2.337 178.090 175.800 -0.079 0.000 1.111 292 F CA 0.473 58.447 58.000 -0.043 0.000 1.445 292 F CB -1.037 37.968 39.000 0.009 0.000 1.081 292 F HN 0.375 nan 8.300 nan 0.000 0.558 293 G N -0.460 108.359 108.800 0.031 0.000 2.650 293 G HA2 -0.087 3.874 3.960 0.002 0.000 0.214 293 G HA3 -0.087 3.874 3.960 0.002 0.000 0.214 293 G C 1.695 176.392 174.900 -0.338 0.000 1.136 293 G CA 0.160 45.129 45.100 -0.217 0.000 0.789 293 G HN 0.340 nan 8.290 nan 0.000 0.536 294 L N -0.797 120.302 121.223 -0.207 0.000 2.313 294 L HA 0.322 4.663 4.340 0.002 0.000 0.214 294 L C 0.486 177.206 176.870 -0.250 0.000 1.119 294 L CA 0.392 55.158 54.840 -0.123 0.000 0.809 294 L CB -0.050 42.023 42.059 0.024 0.000 0.933 294 L HN 0.068 nan 8.230 nan 0.000 0.449 295 L N -1.295 119.775 121.223 -0.254 0.000 2.431 295 L HA 0.309 4.650 4.340 0.002 0.000 0.266 295 L C -1.897 174.735 176.870 -0.397 0.000 0.978 295 L CA -1.580 53.039 54.840 -0.368 0.000 0.822 295 L CB 2.269 44.195 42.059 -0.220 0.000 1.310 295 L HN -0.331 nan 8.230 nan 0.000 0.409 296 P HA -0.087 nan 4.420 nan 0.000 0.218 296 P C 1.389 178.476 177.300 -0.354 0.000 1.149 296 P CA 0.959 63.785 63.100 -0.457 0.000 0.817 296 P CB 0.334 31.660 31.700 -0.623 0.000 0.785 297 G N -0.188 108.270 108.800 -0.569 0.000 2.402 297 G HA2 -0.209 3.752 3.960 0.002 0.000 0.216 297 G HA3 -0.209 3.752 3.960 0.002 0.000 0.216 297 G C 1.339 176.022 174.900 -0.362 0.000 1.162 297 G CA 0.492 45.022 45.100 -0.949 0.000 0.777 297 G HN 0.133 nan 8.290 nan 0.000 0.539 298 L N -0.206 120.853 121.223 -0.273 0.000 2.093 298 L HA 0.134 4.475 4.340 0.002 0.000 0.208 298 L C 2.651 179.371 176.870 -0.249 0.000 1.085 298 L CA 1.322 55.950 54.840 -0.354 0.000 0.755 298 L CB -0.645 41.063 42.059 -0.586 0.000 0.904 298 L HN 0.215 nan 8.230 nan 0.000 0.435 299 M N -1.585 117.925 119.600 -0.150 0.000 2.394 299 M HA -0.107 4.374 4.480 0.002 0.000 0.264 299 M C 1.953 178.254 176.300 0.002 0.000 1.073 299 M CA 1.329 56.619 55.300 -0.016 0.000 1.111 299 M CB -0.456 32.130 32.600 -0.024 0.000 1.401 299 M HN 0.181 nan 8.290 nan 0.000 0.448 300 L N -1.239 119.941 121.223 -0.071 0.000 1.988 300 L HA -0.244 4.097 4.340 0.002 0.000 0.207 300 L C 1.966 178.753 176.870 -0.138 0.000 1.071 300 L CA 1.750 56.528 54.840 -0.103 0.000 0.744 300 L CB -0.579 41.382 42.059 -0.164 0.000 0.893 300 L HN 0.229 nan 8.230 nan 0.000 0.433 301 Y N -0.096 120.106 120.300 -0.164 0.000 2.224 301 Y HA -0.234 4.317 4.550 0.002 0.000 0.289 301 Y C 2.614 178.481 175.900 -0.056 0.000 1.146 301 Y CA 1.268 59.212 58.100 -0.261 0.000 1.182 301 Y CB -0.726 37.273 38.460 -0.768 0.000 0.983 301 Y HN 0.298 nan 8.280 nan 0.000 0.524 302 A N -0.413 122.532 122.820 0.207 0.000 1.917 302 A HA -0.241 4.081 4.320 0.002 0.000 0.219 302 A C 2.287 179.991 177.584 0.199 0.000 1.182 302 A CA 2.449 54.681 52.037 0.326 0.000 0.633 302 A CB -1.233 17.977 19.000 0.351 0.000 0.819 302 A HN 0.434 nan 8.150 nan 0.000 0.448 303 T N 0.271 114.896 114.554 0.120 0.000 2.737 303 T HA -0.077 4.274 4.350 0.002 0.000 0.265 303 T C 1.819 176.515 174.700 -0.007 0.000 1.038 303 T CA 1.508 63.643 62.100 0.058 0.000 1.144 303 T CB -0.421 68.474 68.868 0.045 0.000 0.866 303 T HN 0.443 nan 8.240 nan 0.000 0.434 304 I N -0.678 119.859 120.570 -0.055 0.000 2.179 304 I HA -0.168 4.003 4.170 0.002 0.000 0.242 304 I C 2.271 178.318 176.117 -0.117 0.000 1.088 304 I CA 1.479 62.682 61.300 -0.161 0.000 1.357 304 I CB -0.378 37.442 38.000 -0.299 0.000 1.051 304 I HN 0.306 nan 8.210 nan 0.000 0.409 305 W N 0.565 121.875 121.300 0.017 0.000 2.402 305 W HA -0.112 4.550 4.660 0.002 0.000 0.286 305 W C 2.449 178.991 176.519 0.038 0.000 1.221 305 W CA 0.568 57.939 57.345 0.043 0.000 1.257 305 W CB -0.299 29.180 29.460 0.032 0.000 1.120 305 W HN 0.094 nan 8.180 nan 0.000 0.551 306 L N 0.420 121.770 121.223 0.212 0.000 2.027 306 L HA -0.184 4.157 4.340 0.002 0.000 0.206 306 L C 2.624 179.558 176.870 0.107 0.000 1.074 306 L CA 1.580 56.503 54.840 0.138 0.000 0.745 306 L CB -0.378 41.735 42.059 0.090 0.000 0.898 306 L HN -0.089 nan 8.230 nan 0.000 0.433 307 R N -0.545 119.966 120.500 0.019 0.000 2.091 307 R HA -0.246 4.095 4.340 0.002 0.000 0.238 307 R C 2.164 178.462 176.300 -0.004 0.000 1.136 307 R CA 1.705 57.774 56.100 -0.052 0.000 0.959 307 R CB -0.290 29.939 30.300 -0.119 0.000 0.856 307 R HN 0.328 nan 8.270 nan 0.000 0.437 308 E N 0.131 120.351 120.200 0.034 0.000 2.031 308 E HA -0.232 4.119 4.350 0.002 0.000 0.193 308 E C 1.748 178.439 176.600 0.151 0.000 0.994 308 E CA 1.820 58.256 56.400 0.061 0.000 0.800 308 E CB -0.247 29.480 29.700 0.045 0.000 0.752 308 E HN 0.415 nan 8.360 nan 0.000 0.447 309 H N -0.192 118.975 119.070 0.161 0.000 2.289 309 H HA -0.123 4.435 4.556 0.002 0.000 0.296 309 H C 1.709 177.115 175.328 0.131 0.000 1.091 309 H CA 2.454 58.619 56.048 0.196 0.000 1.274 309 H CB -0.187 29.744 29.762 0.282 0.000 1.364 309 H HN 0.164 nan 8.280 nan 0.000 0.490 310 N N 0.094 118.940 118.700 0.244 0.000 2.166 310 N HA -0.147 4.594 4.740 0.002 0.000 0.186 310 N C 1.979 177.502 175.510 0.021 0.000 1.019 310 N CA 1.146 54.264 53.050 0.114 0.000 0.856 310 N CB -0.359 38.126 38.487 -0.003 0.000 0.993 310 N HN 0.394 nan 8.380 nan 0.000 0.426 311 R N 0.664 121.167 120.500 0.005 0.000 2.081 311 R HA -0.029 4.312 4.340 0.002 0.000 0.235 311 R C 1.576 177.874 176.300 -0.004 0.000 1.131 311 R CA 0.965 57.057 56.100 -0.013 0.000 0.960 311 R CB -0.176 30.110 30.300 -0.024 0.000 0.856 311 R HN 0.020 nan 8.270 nan 0.000 0.436 312 V N 0.304 120.217 119.914 -0.002 0.000 2.427 312 V HA -0.299 3.822 4.120 0.002 0.000 0.248 312 V C 2.517 178.601 176.094 -0.017 0.000 1.051 312 V CA 1.634 63.930 62.300 -0.006 0.000 1.048 312 V CB -0.453 31.366 31.823 -0.006 0.000 0.666 312 V HN 0.522 nan 8.190 nan 0.000 0.456 313 C N 0.095 119.370 119.300 -0.041 0.000 2.413 313 C HA -0.169 4.292 4.460 0.002 0.000 0.277 313 C C 2.504 177.516 174.990 0.036 0.000 1.265 313 C CA 0.862 59.886 59.018 0.009 0.000 1.752 313 C CB -1.075 26.692 27.740 0.046 0.000 1.998 313 C HN 0.604 nan 8.230 nan 0.000 0.489 314 D N 0.822 121.235 120.400 0.022 0.000 2.117 314 D HA -0.084 4.557 4.640 0.002 0.000 0.197 314 D C 2.058 178.362 176.300 0.006 0.000 0.987 314 D CA 1.145 55.155 54.000 0.017 0.000 0.829 314 D CB -0.386 40.416 40.800 0.004 0.000 0.961 314 D HN 0.462 nan 8.370 nan 0.000 0.460 315 L N 0.076 121.300 121.223 0.002 0.000 2.093 315 L HA -0.150 4.191 4.340 0.002 0.000 0.208 315 L C 2.330 179.193 176.870 -0.013 0.000 1.085 315 L CA 0.369 55.204 54.840 -0.007 0.000 0.755 315 L CB -0.229 41.830 42.059 -0.000 0.000 0.904 315 L HN 0.026 nan 8.230 nan 0.000 0.435 316 L N 0.038 121.266 121.223 0.009 0.000 2.093 316 L HA -0.183 4.159 4.340 0.002 0.000 0.208 316 L C 2.510 179.372 176.870 -0.014 0.000 1.085 316 L CA 1.620 56.466 54.840 0.011 0.000 0.755 316 L CB -0.806 41.285 42.059 0.053 0.000 0.904 316 L HN 0.196 nan 8.230 nan 0.000 0.435 317 K N -0.677 119.733 120.400 0.017 0.000 2.097 317 K HA -0.126 4.195 4.320 0.002 0.000 0.205 317 K C 2.043 178.626 176.600 -0.028 0.000 1.050 317 K CA 1.111 57.413 56.287 0.025 0.000 0.938 317 K CB 0.015 32.548 32.500 0.054 0.000 0.718 317 K HN 0.276 nan 8.250 nan 0.000 0.442 318 A N 0.776 123.568 122.820 -0.047 0.000 1.933 318 A HA -0.173 4.148 4.320 0.002 0.000 0.218 318 A C 1.901 179.399 177.584 -0.143 0.000 1.175 318 A CA 1.764 53.758 52.037 -0.073 0.000 0.628 318 A CB -0.357 18.608 19.000 -0.058 0.000 0.814 318 A HN 0.404 nan 8.150 nan 0.000 0.444 319 E N -0.771 119.298 120.200 -0.220 0.000 2.230 319 E HA -0.023 4.328 4.350 0.002 0.000 0.192 319 E C 0.028 176.183 176.600 -0.742 0.000 0.987 319 E CA 0.553 56.688 56.400 -0.441 0.000 0.841 319 E CB 0.093 29.507 29.700 -0.476 0.000 0.783 319 E HN 0.696 nan 8.360 nan 0.000 0.481 320 H N -0.499 118.341 119.070 -0.383 0.000 2.448 320 H HA 0.165 4.722 4.556 0.002 0.000 0.237 320 H C -2.020 173.179 175.328 -0.216 0.000 1.391 320 H CA -1.526 54.214 56.048 -0.513 0.000 1.477 320 H CB 1.234 30.163 29.762 -1.388 0.000 1.520 320 H HN 0.170 nan 8.280 nan 0.000 0.502 321 P HA -0.110 nan 4.420 nan 0.000 0.223 321 P C 1.576 178.937 177.300 0.102 0.000 1.151 321 P CA 0.972 64.092 63.100 0.035 0.000 0.787 321 P CB 0.099 31.802 31.700 0.004 0.000 0.788 322 T N -6.312 108.320 114.554 0.131 0.000 3.023 322 T HA -0.061 4.291 4.350 0.002 0.000 0.266 322 T C 0.568 175.448 174.700 0.300 0.000 1.093 322 T CA -0.195 62.016 62.100 0.184 0.000 1.129 322 T CB -0.827 68.147 68.868 0.175 0.000 0.899 322 T HN -0.139 nan 8.240 nan 0.000 0.491 323 W N 2.768 124.111 121.300 0.071 0.000 2.223 323 W HA 0.586 5.247 4.660 0.002 0.000 0.334 323 W C 1.260 177.803 176.519 0.040 0.000 1.334 323 W CA -0.578 56.792 57.345 0.043 0.000 1.246 323 W CB -0.181 29.298 29.460 0.033 0.000 1.184 323 W HN 0.323 nan 8.180 nan 0.000 0.563 324 G N 1.707 110.600 108.800 0.155 0.000 2.553 324 G HA2 -0.009 3.952 3.960 0.002 0.000 0.278 324 G HA3 -0.009 3.952 3.960 0.002 0.000 0.278 324 G C 0.385 175.354 174.900 0.116 0.000 1.349 324 G CA 0.135 45.293 45.100 0.098 0.000 1.037 324 G HN 0.493 nan 8.290 nan 0.000 0.508 325 D N -1.342 119.119 120.400 0.101 0.000 2.103 325 D HA -0.120 4.521 4.640 0.002 0.000 0.199 325 D C 2.117 178.488 176.300 0.119 0.000 0.978 325 D CA 1.376 55.453 54.000 0.128 0.000 0.829 325 D CB 0.032 40.920 40.800 0.146 0.000 0.981 325 D HN 0.399 nan 8.370 nan 0.000 0.464 326 E N 0.294 120.537 120.200 0.072 0.000 2.058 326 E HA -0.258 4.093 4.350 0.002 0.000 0.194 326 E C 2.049 178.659 176.600 0.015 0.000 0.997 326 E CA 1.417 57.854 56.400 0.063 0.000 0.801 326 E CB -0.264 29.446 29.700 0.016 0.000 0.746 326 E HN 0.395 nan 8.360 nan 0.000 0.450 327 Q N -0.516 119.197 119.800 -0.145 0.000 2.119 327 Q HA -0.101 4.241 4.340 0.002 0.000 0.201 327 Q C 2.220 178.092 176.000 -0.212 0.000 0.972 327 Q CA 1.223 56.780 55.803 -0.411 0.000 0.847 327 Q CB -0.065 28.084 28.738 -0.981 0.000 0.903 327 Q HN 0.347 nan 8.270 nan 0.000 0.433 328 L N -0.428 120.852 121.223 0.094 0.000 2.046 328 L HA -0.169 4.172 4.340 0.002 0.000 0.208 328 L C 2.244 179.224 176.870 0.183 0.000 1.077 328 L CA 1.159 56.165 54.840 0.277 0.000 0.747 328 L CB -0.458 41.778 42.059 0.295 0.000 0.896 328 L HN 0.313 nan 8.230 nan 0.000 0.432 329 F N 0.484 120.467 119.950 0.055 0.000 2.113 329 F HA -0.227 4.302 4.527 0.002 0.000 0.297 329 F C 2.726 178.539 175.800 0.022 0.000 1.103 329 F CA 1.480 59.532 58.000 0.086 0.000 1.248 329 F CB -0.216 38.800 39.000 0.027 0.000 0.999 329 F HN 0.027 nan 8.300 nan 0.000 0.475 330 Q N -0.005 119.749 119.800 -0.077 0.000 2.084 330 Q HA -0.149 4.193 4.340 0.002 0.000 0.202 330 Q C 2.218 178.085 176.000 -0.223 0.000 0.978 330 Q CA 2.230 57.906 55.803 -0.212 0.000 0.844 330 Q CB -1.195 27.482 28.738 -0.102 0.000 0.898 330 Q HN 0.428 nan 8.270 nan 0.000 0.426 331 T N 1.307 115.781 114.554 -0.132 0.000 2.812 331 T HA -0.032 4.319 4.350 0.002 0.000 0.264 331 T C 1.931 176.630 174.700 -0.002 0.000 1.042 331 T CA 1.279 63.355 62.100 -0.039 0.000 1.140 331 T CB -0.260 68.697 68.868 0.147 0.000 0.870 331 T HN 0.399 nan 8.240 nan 0.000 0.445 332 A N 1.843 124.614 122.820 -0.081 0.000 1.940 332 A HA -0.143 4.178 4.320 0.002 0.000 0.219 332 A C 2.292 179.832 177.584 -0.074 0.000 1.176 332 A CA 1.919 53.857 52.037 -0.164 0.000 0.631 332 A CB -0.631 18.026 19.000 -0.572 0.000 0.814 332 A HN 0.436 nan 8.150 nan 0.000 0.446 333 R N -0.317 120.071 120.500 -0.187 0.000 2.083 333 R HA -0.112 4.229 4.340 0.002 0.000 0.237 333 R C 1.983 178.326 176.300 0.071 0.000 1.137 333 R CA 1.795 57.802 56.100 -0.155 0.000 0.951 333 R CB -0.472 29.442 30.300 -0.644 0.000 0.851 333 R HN 0.510 nan 8.270 nan 0.000 0.434 334 L N 0.311 121.570 121.223 0.059 0.000 2.046 334 L HA -0.197 4.145 4.340 0.002 0.000 0.208 334 L C 2.470 179.635 176.870 0.491 0.000 1.077 334 L CA 1.350 56.318 54.840 0.214 0.000 0.747 334 L CB -0.410 41.653 42.059 0.006 0.000 0.896 334 L HN 0.257 nan 8.230 nan 0.000 0.432 335 I N -0.680 120.172 120.570 0.470 0.000 2.208 335 I HA -0.310 3.861 4.170 0.002 0.000 0.245 335 I C 2.333 178.668 176.117 0.362 0.000 1.097 335 I CA 1.222 62.790 61.300 0.447 0.000 1.363 335 I CB -0.190 38.000 38.000 0.316 0.000 1.051 335 I HN 0.177 nan 8.210 nan 0.000 0.413 336 L N 0.059 121.495 121.223 0.355 0.000 2.141 336 L HA -0.137 4.204 4.340 0.002 0.000 0.209 336 L C 2.252 179.345 176.870 0.371 0.000 1.094 336 L CA 1.626 56.728 54.840 0.438 0.000 0.763 336 L CB -0.393 41.965 42.059 0.497 0.000 0.908 336 L HN 0.153 nan 8.230 nan 0.000 0.437 337 I N -1.123 119.643 120.570 0.325 0.000 2.202 337 I HA -0.215 3.956 4.170 0.002 0.000 0.242 337 I C 2.492 178.797 176.117 0.314 0.000 1.091 337 I CA 1.428 62.900 61.300 0.286 0.000 1.368 337 I CB -0.905 37.267 38.000 0.287 0.000 1.058 337 I HN 0.314 nan 8.210 nan 0.000 0.410 338 G N 0.084 109.130 108.800 0.411 0.000 2.418 338 G HA2 -0.221 3.740 3.960 0.002 0.000 0.217 338 G HA3 -0.221 3.740 3.960 0.002 0.000 0.217 338 G C 1.538 176.606 174.900 0.280 0.000 1.158 338 G CA 0.561 45.908 45.100 0.412 0.000 0.771 338 G HN 0.390 nan 8.290 nan 0.000 0.545 339 E N -0.073 120.317 120.200 0.317 0.000 2.077 339 E HA -0.115 4.236 4.350 0.002 0.000 0.193 339 E C 2.817 179.641 176.600 0.374 0.000 0.989 339 E CA 1.496 58.093 56.400 0.329 0.000 0.800 339 E CB -0.193 29.746 29.700 0.399 0.000 0.746 339 E HN 0.387 nan 8.360 nan 0.000 0.452 340 T N 1.499 116.307 114.554 0.424 0.000 2.708 340 T HA -0.143 4.208 4.350 0.002 0.000 0.266 340 T C 2.030 176.827 174.700 0.162 0.000 1.037 340 T CA 1.117 63.452 62.100 0.391 0.000 1.146 340 T CB -0.241 68.745 68.868 0.197 0.000 0.865 340 T HN 0.129 nan 8.240 nan 0.000 0.435 341 I N 0.933 121.504 120.570 0.002 0.000 2.315 341 I HA -0.125 4.046 4.170 0.002 0.000 0.248 341 I C 2.532 178.337 176.117 -0.519 0.000 1.117 341 I CA 1.038 62.172 61.300 -0.278 0.000 1.404 341 I CB -0.338 37.395 38.000 -0.444 0.000 1.071 341 I HN 0.135 nan 8.210 nan 0.000 0.419 342 K N 2.071 122.207 120.400 -0.441 0.000 2.002 342 K HA -0.141 4.181 4.320 0.002 0.000 0.209 342 K C 1.909 178.525 176.600 0.026 0.000 1.048 342 K CA 1.826 58.022 56.287 -0.151 0.000 0.930 342 K CB -0.414 32.175 32.500 0.147 0.000 0.714 342 K HN 0.209 nan 8.250 nan 0.000 0.438 343 I N 0.129 120.754 120.570 0.091 0.000 2.179 343 I HA -0.262 3.909 4.170 0.002 0.000 0.242 343 I C 2.150 178.325 176.117 0.098 0.000 1.088 343 I CA 0.962 62.343 61.300 0.134 0.000 1.357 343 I CB -0.257 37.864 38.000 0.202 0.000 1.051 343 I HN -0.012 nan 8.210 nan 0.000 0.409 344 V N 1.099 121.011 119.914 -0.002 0.000 2.287 344 V HA -0.308 3.814 4.120 0.002 0.000 0.248 344 V C 2.293 178.435 176.094 0.079 0.000 1.053 344 V CA 2.077 64.317 62.300 -0.100 0.000 1.027 344 V CB -0.381 31.213 31.823 -0.383 0.000 0.646 344 V HN 0.326 nan 8.190 nan 0.000 0.447 345 I N -0.530 120.068 120.570 0.048 0.000 2.163 345 I HA -0.187 3.984 4.170 0.002 0.000 0.240 345 I C 2.397 178.588 176.117 0.124 0.000 1.081 345 I CA 1.612 62.975 61.300 0.105 0.000 1.353 345 I CB -0.304 37.765 38.000 0.114 0.000 1.054 345 I HN 0.339 nan 8.210 nan 0.000 0.407 346 E N -0.157 120.120 120.200 0.127 0.000 2.478 346 E HA -0.067 4.284 4.350 0.002 0.000 0.194 346 E C 1.261 177.938 176.600 0.128 0.000 1.045 346 E CA 0.509 56.985 56.400 0.126 0.000 0.868 346 E CB 0.400 30.181 29.700 0.135 0.000 0.885 346 E HN 0.554 nan 8.360 nan 0.000 0.505 347 E N -1.086 119.214 120.200 0.166 0.000 2.940 347 E HA -0.009 4.342 4.350 0.002 0.000 0.203 347 E C 1.327 178.052 176.600 0.209 0.000 0.995 347 E CA -0.162 56.386 56.400 0.246 0.000 1.396 347 E CB -0.064 29.847 29.700 0.353 0.000 1.310 347 E HN 0.059 nan 8.360 nan 0.000 0.613 348 Y N 1.949 122.186 120.300 -0.105 0.000 2.114 348 Y HA -0.214 4.337 4.550 0.002 0.000 0.284 348 Y C 2.058 177.913 175.900 -0.075 0.000 1.143 348 Y CA 1.646 59.438 58.100 -0.512 0.000 1.135 348 Y CB -0.116 37.938 38.460 -0.676 0.000 0.980 348 Y HN -0.166 nan 8.280 nan 0.000 0.499 349 V N 0.497 120.486 119.914 0.124 0.000 2.548 349 V HA -0.251 3.871 4.120 0.002 0.000 0.249 349 V C 2.251 178.314 176.094 -0.052 0.000 1.055 349 V CA 1.855 64.199 62.300 0.073 0.000 1.065 349 V CB -0.744 31.183 31.823 0.174 0.000 0.681 349 V HN 0.389 nan 8.190 nan 0.000 0.462 350 Q N 0.704 120.494 119.800 -0.018 0.000 2.030 350 Q HA -0.292 4.049 4.340 0.002 0.000 0.204 350 Q C 2.256 178.180 176.000 -0.127 0.000 0.986 350 Q CA 2.592 58.363 55.803 -0.054 0.000 0.843 350 Q CB -0.455 28.294 28.738 0.019 0.000 0.904 350 Q HN 0.654 nan 8.270 nan 0.000 0.420 351 Q N -0.299 119.441 119.800 -0.099 0.000 2.050 351 Q HA -0.159 4.182 4.340 0.002 0.000 0.202 351 Q C 1.940 177.733 176.000 -0.346 0.000 0.980 351 Q CA 1.872 57.573 55.803 -0.170 0.000 0.840 351 Q CB -0.717 27.974 28.738 -0.078 0.000 0.898 351 Q HN 0.484 nan 8.270 nan 0.000 0.424 352 L N 0.281 121.268 121.223 -0.393 0.000 2.012 352 L HA -0.181 4.161 4.340 0.002 0.000 0.210 352 L C 2.300 178.926 176.870 -0.407 0.000 1.073 352 L CA 2.513 57.086 54.840 -0.446 0.000 0.748 352 L CB -0.842 41.101 42.059 -0.193 0.000 0.891 352 L HN 0.484 nan 8.230 nan 0.000 0.431 353 S N -0.945 114.513 115.700 -0.403 0.000 2.406 353 S HA 0.080 4.551 4.470 0.002 0.000 0.228 353 S C 1.709 175.959 174.600 -0.584 0.000 1.020 353 S CA 0.453 58.248 58.200 -0.675 0.000 0.965 353 S CB -0.981 61.516 63.200 -1.172 0.000 0.798 353 S HN 0.833 nan 8.310 nan 0.000 0.488 354 G N 0.734 109.308 108.800 -0.377 0.000 2.225 354 G HA2 -0.295 3.666 3.960 0.002 0.000 0.267 354 G HA3 -0.295 3.666 3.960 0.002 0.000 0.267 354 G C -0.040 174.835 174.900 -0.042 0.000 1.024 354 G CA 0.420 45.397 45.100 -0.206 0.000 0.784 354 G HN 0.694 nan 8.290 nan 0.000 0.507 355 Y N -1.346 118.850 120.300 -0.174 0.000 2.397 355 Y HA 0.342 4.894 4.550 0.002 0.000 0.335 355 Y C 1.565 177.374 175.900 -0.153 0.000 1.213 355 Y CA -1.168 56.785 58.100 -0.246 0.000 1.391 355 Y CB 0.378 38.650 38.460 -0.313 0.000 1.293 355 Y HN 0.018 nan 8.280 nan 0.000 0.557 356 F N 1.010 120.620 119.950 -0.567 0.000 2.456 356 F HA -0.033 4.495 4.527 0.002 0.000 0.298 356 F C 0.794 176.232 175.800 -0.603 0.000 1.104 356 F CA -0.057 57.566 58.000 -0.627 0.000 1.435 356 F CB -0.490 37.996 39.000 -0.857 0.000 1.078 356 F HN 0.267 nan 8.300 nan 0.000 0.546 357 L N 1.426 122.251 121.223 -0.663 0.000 2.462 357 L HA 0.095 4.436 4.340 0.002 0.000 0.272 357 L C 0.330 177.153 176.870 -0.079 0.000 1.166 357 L CA -0.161 54.475 54.840 -0.339 0.000 0.880 357 L CB 0.207 42.025 42.059 -0.402 0.000 1.142 357 L HN 0.028 nan 8.230 nan 0.000 0.473 358 Q N 4.315 124.121 119.800 0.009 0.000 2.348 358 Q HA 0.310 4.651 4.340 0.002 0.000 0.251 358 Q C -0.774 175.254 176.000 0.047 0.000 1.113 358 Q CA 0.285 56.103 55.803 0.025 0.000 0.902 358 Q CB 0.127 28.887 28.738 0.036 0.000 1.333 358 Q HN 0.702 nan 8.270 nan 0.000 0.457 359 L N 2.908 124.163 121.223 0.054 0.000 2.482 359 L HA 0.234 4.575 4.340 0.002 0.000 0.273 359 L C 0.321 177.243 176.870 0.085 0.000 1.228 359 L CA 0.222 55.108 54.840 0.077 0.000 0.827 359 L CB 0.395 42.507 42.059 0.089 0.000 1.099 359 L HN 0.497 nan 8.230 nan 0.000 0.494 360 K N 1.364 121.821 120.400 0.095 0.000 2.513 360 K HA 0.331 4.652 4.320 0.002 0.000 0.251 360 K C -1.621 175.061 176.600 0.137 0.000 0.939 360 K CA -0.675 55.670 56.287 0.098 0.000 0.793 360 K CB 1.720 34.249 32.500 0.049 0.000 1.241 360 K HN 0.321 nan 8.250 nan 0.000 0.431 361 F N 4.279 124.232 119.950 0.004 0.000 2.335 361 F HA 0.369 4.897 4.527 0.002 0.000 0.365 361 F C -1.011 174.750 175.800 -0.065 0.000 1.122 361 F CA -0.594 57.388 58.000 -0.029 0.000 1.151 361 F CB 0.672 39.678 39.000 0.010 0.000 1.282 361 F HN 0.496 nan 8.300 nan 0.000 0.513 362 D N 8.067 128.112 120.400 -0.593 0.000 2.328 362 D HA 0.354 4.995 4.640 0.002 0.000 0.243 362 D C -2.274 173.574 176.300 -0.754 0.000 1.324 362 D CA -1.919 51.678 54.000 -0.671 0.000 0.966 362 D CB 1.784 42.402 40.800 -0.303 0.000 1.324 362 D HN 0.158 nan 8.370 nan 0.000 0.549 363 P HA -0.158 nan 4.420 nan 0.000 0.219 363 P C 0.735 177.325 177.300 -1.183 0.000 1.144 363 P CA 1.002 63.525 63.100 -0.963 0.000 0.806 363 P CB 0.278 31.243 31.700 -1.225 0.000 0.771 364 E N -0.719 118.761 120.200 -1.200 0.000 2.333 364 E HA -0.119 4.232 4.350 0.002 0.000 0.198 364 E C 1.770 177.963 176.600 -0.678 0.000 1.007 364 E CA 0.612 56.227 56.400 -1.308 0.000 0.845 364 E CB -0.546 28.884 29.700 -0.449 0.000 0.766 364 E HN 0.354 nan 8.360 nan 0.000 0.507 365 L N 0.356 121.299 121.223 -0.466 0.000 2.275 365 L HA -0.142 4.200 4.340 0.002 0.000 0.215 365 L C 2.055 178.813 176.870 -0.187 0.000 1.119 365 L CA 0.777 55.472 54.840 -0.242 0.000 0.790 365 L CB -0.125 41.821 42.059 -0.189 0.000 0.919 365 L HN 0.172 nan 8.230 nan 0.000 0.443 366 L N -2.036 119.037 121.223 -0.250 0.000 2.607 366 L HA 0.061 4.402 4.340 0.002 0.000 0.228 366 L C 1.818 178.806 176.870 0.198 0.000 1.123 366 L CA 0.035 54.821 54.840 -0.090 0.000 0.890 366 L CB -0.177 41.742 42.059 -0.233 0.000 1.103 366 L HN 0.200 nan 8.230 nan 0.000 0.468 367 F N 0.552 120.536 119.950 0.057 0.000 2.641 367 F HA -0.021 4.507 4.527 0.002 0.000 0.298 367 F C 1.741 177.592 175.800 0.085 0.000 1.146 367 F CA 0.122 58.184 58.000 0.103 0.000 1.464 367 F CB 0.114 39.173 39.000 0.099 0.000 1.101 367 F HN 0.178 nan 8.300 nan 0.000 0.585 368 G N 0.294 109.231 108.800 0.229 0.000 4.222 368 G HA2 0.564 4.525 3.960 0.002 0.000 0.301 368 G HA3 0.564 4.525 3.960 0.002 0.000 0.301 368 G C -0.475 174.490 174.900 0.108 0.000 1.171 368 G CA 0.083 45.269 45.100 0.144 0.000 0.937 368 G HN 0.220 nan 8.290 nan 0.000 0.557 369 A N -0.159 122.740 122.820 0.131 0.000 2.556 369 A HA 0.721 5.042 4.320 0.002 0.000 0.294 369 A C -0.494 177.169 177.584 0.132 0.000 1.091 369 A CA -0.771 51.331 52.037 0.107 0.000 0.704 369 A CB 1.166 20.216 19.000 0.083 0.000 1.300 369 A HN 0.217 nan 8.150 nan 0.000 0.406 370 Q N 0.535 120.398 119.800 0.104 0.000 2.324 370 Q HA 0.449 4.790 4.340 0.002 0.000 0.257 370 Q C -1.673 174.404 176.000 0.129 0.000 1.080 370 Q CA 0.664 56.519 55.803 0.087 0.000 0.907 370 Q CB 0.429 29.191 28.738 0.041 0.000 1.274 370 Q HN 0.457 nan 8.270 nan 0.000 0.434 371 F N 1.940 121.823 119.950 -0.112 0.000 2.607 371 F HA 0.182 4.710 4.527 0.002 0.000 0.322 371 F C -0.947 174.627 175.800 -0.376 0.000 1.176 371 F CA -0.848 56.998 58.000 -0.257 0.000 0.977 371 F CB 1.675 40.465 39.000 -0.351 0.000 1.242 371 F HN 0.280 nan 8.300 nan 0.000 0.465 372 Q N 5.471 124.836 119.800 -0.726 0.000 2.288 372 Q HA 0.117 4.458 4.340 0.002 0.000 0.258 372 Q C -1.016 174.632 176.000 -0.588 0.000 0.957 372 Q CA 0.042 55.553 55.803 -0.488 0.000 0.919 372 Q CB 0.855 29.379 28.738 -0.356 0.000 1.185 372 Q HN 0.691 nan 8.270 nan 0.000 0.408 373 Y N 2.871 123.152 120.300 -0.033 0.000 2.826 373 Y HA 0.144 4.695 4.550 0.002 0.000 0.371 373 Y C 0.801 176.692 175.900 -0.015 0.000 1.252 373 Y CA -0.392 57.744 58.100 0.060 0.000 1.813 373 Y CB 0.142 38.662 38.460 0.100 0.000 1.913 373 Y HN 0.354 nan 8.280 nan 0.000 0.447 374 R N 0.301 120.803 120.500 0.004 0.000 2.740 374 R HA 0.515 4.856 4.340 0.002 0.000 0.273 374 R C -1.893 174.377 176.300 -0.050 0.000 0.998 374 R CA -0.881 55.212 56.100 -0.012 0.000 0.900 374 R CB 1.892 32.173 30.300 -0.032 0.000 1.223 374 R HN 0.251 nan 8.270 nan 0.000 0.466 375 N N 1.572 120.251 118.700 -0.034 0.000 2.287 375 N HA 0.301 5.042 4.740 0.002 0.000 0.289 375 N C -1.658 173.820 175.510 -0.052 0.000 1.066 375 N CA -0.663 52.367 53.050 -0.033 0.000 0.841 375 N CB 2.470 40.957 38.487 0.001 0.000 1.599 375 N HN 0.563 nan 8.380 nan 0.000 0.476 376 R N 3.569 124.036 120.500 -0.056 0.000 2.393 376 R HA 0.438 4.779 4.340 0.002 0.000 0.315 376 R C -0.338 176.055 176.300 0.155 0.000 0.952 376 R CA -0.574 55.470 56.100 -0.093 0.000 0.842 376 R CB 0.459 30.638 30.300 -0.201 0.000 1.163 376 R HN 0.486 nan 8.270 nan 0.000 0.450 377 I N 3.654 124.481 120.570 0.428 0.000 2.598 377 I HA 0.136 4.308 4.170 0.002 0.000 0.284 377 I C 0.651 177.034 176.117 0.442 0.000 1.140 377 I CA 0.138 61.681 61.300 0.406 0.000 1.420 377 I CB 0.355 38.593 38.000 0.395 0.000 1.387 377 I HN 0.691 nan 8.210 nan 0.000 0.553 378 A N 7.245 130.239 122.820 0.291 0.000 2.316 378 A HA 0.422 4.743 4.320 0.002 0.000 0.284 378 A C 1.236 178.819 177.584 -0.002 0.000 1.115 378 A CA -0.639 51.498 52.037 0.167 0.000 0.812 378 A CB 0.673 19.733 19.000 0.100 0.000 1.064 378 A HN 0.837 nan 8.150 nan 0.000 0.489 379 M N 0.214 119.768 119.600 -0.075 0.000 2.229 379 M HA -0.081 4.401 4.480 0.002 0.000 0.264 379 M C 1.010 177.139 176.300 -0.285 0.000 1.063 379 M CA 2.154 57.279 55.300 -0.292 0.000 1.114 379 M CB -0.676 31.838 32.600 -0.144 0.000 1.387 379 M HN 0.718 nan 8.290 nan 0.000 0.420 380 E N 0.951 120.988 120.200 -0.272 0.000 2.072 380 E HA -0.108 4.244 4.350 0.002 0.000 0.191 380 E C 1.707 178.139 176.600 -0.281 0.000 0.985 380 E CA 1.344 57.483 56.400 -0.435 0.000 0.801 380 E CB -0.426 28.962 29.700 -0.521 0.000 0.750 380 E HN 0.517 nan 8.360 nan 0.000 0.452 381 F N 1.795 121.341 119.950 -0.673 0.000 2.216 381 F HA -0.162 4.366 4.527 0.002 0.000 0.300 381 F C 1.892 177.585 175.800 -0.179 0.000 1.085 381 F CA 1.091 58.780 58.000 -0.518 0.000 1.326 381 F CB -0.315 38.325 39.000 -0.601 0.000 1.027 381 F HN 0.006 nan 8.300 nan 0.000 0.497 382 N N 0.385 118.873 118.700 -0.353 0.000 2.039 382 N HA -0.188 4.553 4.740 0.002 0.000 0.193 382 N C 1.870 177.100 175.510 -0.467 0.000 1.044 382 N CA 1.649 54.149 53.050 -0.917 0.000 0.847 382 N CB -0.432 37.614 38.487 -0.734 0.000 1.030 382 N HN 0.344 nan 8.380 nan 0.000 0.422 383 Q N 0.596 120.278 119.800 -0.197 0.000 2.077 383 Q HA -0.185 4.156 4.340 0.002 0.000 0.206 383 Q C 2.291 178.401 176.000 0.183 0.000 0.989 383 Q CA 1.088 56.871 55.803 -0.032 0.000 0.853 383 Q CB -0.628 28.171 28.738 0.101 0.000 0.907 383 Q HN 0.464 nan 8.270 nan 0.000 0.418 384 L N -0.675 120.689 121.223 0.236 0.000 2.131 384 L HA -0.170 4.172 4.340 0.002 0.000 0.210 384 L C 1.843 178.773 176.870 0.100 0.000 1.092 384 L CA 1.248 56.225 54.840 0.229 0.000 0.759 384 L CB -0.175 42.024 42.059 0.234 0.000 0.903 384 L HN 0.163 nan 8.230 nan 0.000 0.435 385 Y N -1.254 118.854 120.300 -0.320 0.000 2.471 385 Y HA 0.001 4.552 4.550 0.002 0.000 0.286 385 Y C 0.365 175.896 175.900 -0.615 0.000 1.188 385 Y CA -0.401 57.225 58.100 -0.790 0.000 1.286 385 Y CB 0.055 37.939 38.460 -0.960 0.000 1.072 385 Y HN 0.232 nan 8.280 nan 0.000 0.517 386 H N -0.276 118.799 119.070 0.008 0.000 3.460 386 H HA -0.055 4.502 4.556 0.002 0.000 0.238 386 H C -0.649 175.064 175.328 0.641 0.000 1.752 386 H CA -0.042 56.152 56.048 0.245 0.000 1.503 386 H CB -0.719 29.026 29.762 -0.029 0.000 1.830 386 H HN 0.257 nan 8.280 nan 0.000 0.614 387 W N 1.446 122.987 121.300 0.401 0.000 1.694 387 W HA 0.101 4.762 4.660 0.002 0.000 0.425 387 W C 0.334 177.005 176.519 0.252 0.000 0.615 387 W CA -0.756 56.784 57.345 0.324 0.000 2.237 387 W CB -1.031 28.615 29.460 0.310 0.000 1.478 387 W HN 0.659 nan 8.180 nan 0.000 0.427 388 H N 0.294 119.592 119.070 0.381 0.000 2.495 388 H HA -0.052 4.506 4.556 0.002 0.000 0.287 388 H C -0.490 174.967 175.328 0.216 0.000 1.033 388 H CA 0.965 57.171 56.048 0.263 0.000 1.307 388 H CB -1.296 28.599 29.762 0.221 0.000 1.401 388 H HN 0.057 nan 8.280 nan 0.000 0.555 389 P HA -0.148 nan 4.420 nan 0.000 0.218 389 P C 1.240 178.638 177.300 0.163 0.000 1.146 389 P CA 1.060 64.270 63.100 0.183 0.000 0.813 389 P CB -0.015 31.751 31.700 0.109 0.000 0.778 390 L N -2.588 118.742 121.223 0.179 0.000 2.127 390 L HA -0.126 4.216 4.340 0.002 0.000 0.211 390 L C 1.342 178.285 176.870 0.121 0.000 1.089 390 L CA 0.768 55.696 54.840 0.148 0.000 0.757 390 L CB -0.717 41.463 42.059 0.201 0.000 0.899 390 L HN 0.077 nan 8.230 nan 0.000 0.434 391 M N 0.847 120.519 119.600 0.120 0.000 2.200 391 M HA 0.203 4.684 4.480 0.002 0.000 0.355 391 M C -1.986 174.375 176.300 0.101 0.000 1.283 391 M CA -1.756 53.595 55.300 0.084 0.000 1.124 391 M CB 0.247 32.971 32.600 0.206 0.000 1.625 391 M HN -0.186 nan 8.290 nan 0.000 0.463 392 P HA 0.246 nan 4.420 nan 0.000 0.317 392 P C -0.001 177.182 177.300 -0.194 0.000 1.307 392 P CA -0.205 62.713 63.100 -0.303 0.000 0.749 392 P CB 0.932 32.260 31.700 -0.620 0.000 1.377 393 D N -1.632 118.571 120.400 -0.328 0.000 2.194 393 D HA 0.001 4.642 4.640 0.002 0.000 0.204 393 D C 0.789 177.085 176.300 -0.008 0.000 0.964 393 D CA 1.309 55.257 54.000 -0.088 0.000 0.846 393 D CB 0.080 40.810 40.800 -0.116 0.000 0.962 393 D HN 0.456 nan 8.370 nan 0.000 0.490 394 S N -1.320 114.211 115.700 -0.281 0.000 2.656 394 S HA 0.606 5.077 4.470 0.002 0.000 0.273 394 S C -1.211 173.036 174.600 -0.588 0.000 1.168 394 S CA -0.985 57.054 58.200 -0.268 0.000 0.817 394 S CB 1.142 64.306 63.200 -0.059 0.000 1.146 394 S HN -0.102 nan 8.310 nan 0.000 0.475 395 F N 0.900 120.754 119.950 -0.160 0.000 2.402 395 F HA 0.601 5.129 4.527 0.002 0.000 0.355 395 F C 0.605 176.391 175.800 -0.023 0.000 1.123 395 F CA -0.628 57.261 58.000 -0.185 0.000 1.021 395 F CB 1.663 40.330 39.000 -0.555 0.000 1.160 395 F HN 0.569 nan 8.300 nan 0.000 0.451 396 R N 2.677 123.243 120.500 0.110 0.000 2.294 396 R HA 0.692 5.034 4.340 0.002 0.000 0.319 396 R C -1.560 174.763 176.300 0.037 0.000 0.984 396 R CA -0.393 55.733 56.100 0.042 0.000 0.861 396 R CB 1.169 31.457 30.300 -0.019 0.000 1.104 396 R HN 0.558 nan 8.270 nan 0.000 0.451 397 V N 5.921 125.825 119.914 -0.017 0.000 2.315 397 V HA 0.347 4.469 4.120 0.002 0.000 0.265 397 V C 0.962 176.955 176.094 -0.169 0.000 1.019 397 V CA 0.232 62.427 62.300 -0.175 0.000 0.824 397 V CB 0.331 31.947 31.823 -0.345 0.000 1.072 397 V HN 1.192 nan 8.190 nan 0.000 0.448 398 G N 6.179 114.909 108.800 -0.116 0.000 2.557 398 G HA2 -0.237 3.724 3.960 0.002 0.000 0.292 398 G HA3 -0.237 3.724 3.960 0.002 0.000 0.292 398 G C -0.612 174.261 174.900 -0.044 0.000 1.162 398 G CA 0.476 45.536 45.100 -0.066 0.000 0.964 398 G HN 0.558 nan 8.290 nan 0.000 0.541 399 P HA 0.164 nan 4.420 nan 0.000 0.231 399 P C 0.532 177.799 177.300 -0.056 0.000 1.168 399 P CA 0.909 63.996 63.100 -0.022 0.000 0.779 399 P CB 0.182 31.886 31.700 0.007 0.000 0.844 400 Q N 0.629 120.376 119.800 -0.087 0.000 2.212 400 Q HA 0.339 4.680 4.340 0.002 0.000 0.238 400 Q C -0.698 175.136 176.000 -0.276 0.000 0.955 400 Q CA 0.130 55.789 55.803 -0.239 0.000 0.906 400 Q CB 1.066 29.575 28.738 -0.383 0.000 1.215 400 Q HN -0.045 nan 8.270 nan 0.000 0.478 401 D N 0.698 120.877 120.400 -0.369 0.000 2.330 401 D HA 0.228 4.869 4.640 0.002 0.000 0.249 401 D C -1.553 174.639 176.300 -0.180 0.000 1.306 401 D CA -0.259 53.620 54.000 -0.203 0.000 0.956 401 D CB 0.090 40.829 40.800 -0.102 0.000 1.261 401 D HN 0.210 nan 8.370 nan 0.000 0.544 402 Y N 1.370 121.750 120.300 0.134 0.000 2.316 402 Y HA 0.305 4.857 4.550 0.002 0.000 0.331 402 Y C 1.434 177.460 175.900 0.210 0.000 1.083 402 Y CA -0.684 57.528 58.100 0.187 0.000 1.206 402 Y CB 1.107 39.724 38.460 0.262 0.000 1.195 402 Y HN 0.248 nan 8.280 nan 0.000 0.497 403 S N 1.498 117.406 115.700 0.346 0.000 2.624 403 S HA 0.125 4.596 4.470 0.002 0.000 0.263 403 S C 0.786 175.588 174.600 0.336 0.000 1.287 403 S CA -0.563 57.822 58.200 0.309 0.000 0.990 403 S CB 0.360 63.708 63.200 0.247 0.000 0.950 403 S HN 0.689 nan 8.310 nan 0.000 0.561 404 Y N 1.608 121.964 120.300 0.094 0.000 2.128 404 Y HA -0.192 4.359 4.550 0.002 0.000 0.284 404 Y C 2.874 178.772 175.900 -0.005 0.000 1.154 404 Y CA 2.051 60.149 58.100 -0.003 0.000 1.149 404 Y CB -0.264 37.847 38.460 -0.581 0.000 0.976 404 Y HN 0.765 nan 8.280 nan 0.000 0.505 405 E N 0.274 120.560 120.200 0.143 0.000 2.110 405 E HA -0.261 4.090 4.350 0.002 0.000 0.193 405 E C 1.756 178.450 176.600 0.157 0.000 0.988 405 E CA 1.518 58.014 56.400 0.160 0.000 0.804 405 E CB -0.719 29.085 29.700 0.174 0.000 0.745 405 E HN 0.627 nan 8.360 nan 0.000 0.458 406 Q N -0.593 119.317 119.800 0.184 0.000 2.172 406 Q HA -0.021 4.321 4.340 0.002 0.000 0.200 406 Q C 1.840 177.892 176.000 0.088 0.000 0.964 406 Q CA 1.099 57.008 55.803 0.176 0.000 0.855 406 Q CB -0.121 28.799 28.738 0.302 0.000 0.918 406 Q HN 0.248 nan 8.270 nan 0.000 0.444 407 F N 0.470 120.364 119.950 -0.093 0.000 2.262 407 F HA 0.077 4.606 4.527 0.002 0.000 0.292 407 F C 0.387 175.976 175.800 -0.353 0.000 1.081 407 F CA -0.028 57.792 58.000 -0.300 0.000 1.355 407 F CB 0.323 39.009 39.000 -0.523 0.000 1.069 407 F HN -0.077 nan 8.300 nan 0.000 0.506 408 L N 1.216 122.296 121.223 -0.239 0.000 2.453 408 L HA 0.063 4.404 4.340 0.002 0.000 0.272 408 L C -0.102 176.486 176.870 -0.470 0.000 1.182 408 L CA 0.676 55.187 54.840 -0.549 0.000 0.858 408 L CB -0.618 41.051 42.059 -0.650 0.000 1.120 408 L HN 0.359 nan 8.230 nan 0.000 0.474 409 F N 0.495 120.349 119.950 -0.159 0.000 3.057 409 F HA -0.292 4.236 4.527 0.002 0.000 0.287 409 F C 0.904 176.614 175.800 -0.150 0.000 0.834 409 F CA 0.107 58.023 58.000 -0.140 0.000 1.147 409 F CB -1.575 37.390 39.000 -0.058 0.000 1.245 409 F HN 0.648 nan 8.300 nan 0.000 0.509 410 N N 1.394 119.990 118.700 -0.174 0.000 2.488 410 N HA 0.176 4.918 4.740 0.002 0.000 0.274 410 N C 1.158 176.582 175.510 -0.144 0.000 1.111 410 N CA 0.927 53.864 53.050 -0.189 0.000 0.974 410 N CB 1.352 39.614 38.487 -0.375 0.000 1.089 410 N HN 0.315 nan 8.380 nan 0.000 0.465 411 T N -1.350 113.162 114.554 -0.070 0.000 3.034 411 T HA -0.021 4.330 4.350 0.002 0.000 0.248 411 T C 1.610 176.263 174.700 -0.077 0.000 1.040 411 T CA 0.655 62.739 62.100 -0.027 0.000 1.107 411 T CB -0.101 68.784 68.868 0.028 0.000 0.932 411 T HN 0.455 nan 8.240 nan 0.000 0.474 412 S N 0.392 116.030 115.700 -0.103 0.000 2.506 412 S HA 0.279 4.750 4.470 0.002 0.000 0.219 412 S C 2.021 176.538 174.600 -0.140 0.000 1.031 412 S CA -0.063 58.065 58.200 -0.120 0.000 0.911 412 S CB -0.405 62.734 63.200 -0.102 0.000 0.812 412 S HN 0.309 nan 8.310 nan 0.000 0.497 413 M N 1.031 120.540 119.600 -0.152 0.000 2.106 413 M HA -0.100 4.381 4.480 0.002 0.000 0.259 413 M C 2.029 178.316 176.300 -0.021 0.000 1.068 413 M CA 1.710 56.946 55.300 -0.107 0.000 1.100 413 M CB -0.326 32.145 32.600 -0.215 0.000 1.351 413 M HN 0.467 nan 8.290 nan 0.000 0.404 414 L N -0.089 121.081 121.223 -0.089 0.000 2.017 414 L HA -0.131 4.210 4.340 0.002 0.000 0.208 414 L C 2.037 178.860 176.870 -0.079 0.000 1.073 414 L CA 1.693 56.501 54.840 -0.052 0.000 0.745 414 L CB -0.708 41.310 42.059 -0.068 0.000 0.894 414 L HN 0.204 nan 8.230 nan 0.000 0.432 415 V N -0.293 119.496 119.914 -0.208 0.000 2.548 415 V HA -0.199 3.922 4.120 0.002 0.000 0.249 415 V C 2.248 178.237 176.094 -0.175 0.000 1.055 415 V CA 1.592 63.698 62.300 -0.323 0.000 1.065 415 V CB -0.909 30.697 31.823 -0.361 0.000 0.681 415 V HN 0.433 nan 8.190 nan 0.000 0.462 416 D N -0.321 119.984 120.400 -0.159 0.000 2.078 416 D HA -0.165 4.477 4.640 0.002 0.000 0.193 416 D C 2.130 178.299 176.300 -0.218 0.000 0.990 416 D CA 1.860 55.725 54.000 -0.223 0.000 0.827 416 D CB -0.240 40.357 40.800 -0.338 0.000 0.975 416 D HN 0.536 nan 8.370 nan 0.000 0.451 417 Y N 0.538 120.812 120.300 -0.043 0.000 2.243 417 Y HA 0.181 4.732 4.550 0.002 0.000 0.293 417 Y C 1.725 177.618 175.900 -0.013 0.000 1.124 417 Y CA 0.852 58.935 58.100 -0.028 0.000 1.159 417 Y CB 0.086 38.519 38.460 -0.046 0.000 1.008 417 Y HN 0.092 nan 8.280 nan 0.000 0.527 418 G N -0.603 108.294 108.800 0.161 0.000 2.655 418 G HA2 -0.204 3.757 3.960 0.002 0.000 0.680 418 G HA3 -0.204 3.757 3.960 0.002 0.000 0.680 418 G C 0.302 175.262 174.900 0.099 0.000 1.302 418 G CA -0.487 44.713 45.100 0.168 0.000 0.872 418 G HN -0.021 nan 8.290 nan 0.000 0.540 419 V N 0.418 120.369 119.914 0.061 0.000 2.323 419 V HA -0.080 4.041 4.120 0.002 0.000 0.244 419 V C 2.724 178.769 176.094 -0.082 0.000 1.041 419 V CA 3.074 65.349 62.300 -0.042 0.000 1.025 419 V CB -0.824 30.936 31.823 -0.105 0.000 0.656 419 V HN 0.804 nan 8.190 nan 0.000 0.451 420 E N 0.980 121.145 120.200 -0.060 0.000 2.070 420 E HA -0.222 4.129 4.350 0.002 0.000 0.197 420 E C 2.220 178.778 176.600 -0.070 0.000 1.004 420 E CA 1.757 58.119 56.400 -0.064 0.000 0.805 420 E CB -0.597 29.079 29.700 -0.039 0.000 0.744 420 E HN 0.594 nan 8.360 nan 0.000 0.451 421 A N 0.314 123.105 122.820 -0.048 0.000 1.897 421 A HA -0.070 4.251 4.320 0.002 0.000 0.215 421 A C 2.166 179.624 177.584 -0.211 0.000 1.181 421 A CA 1.012 53.007 52.037 -0.071 0.000 0.620 421 A CB -0.490 18.535 19.000 0.040 0.000 0.821 421 A HN 0.179 nan 8.150 nan 0.000 0.443 422 L N -0.667 120.395 121.223 -0.269 0.000 2.240 422 L HA -0.069 4.273 4.340 0.002 0.000 0.211 422 L C 2.390 178.914 176.870 -0.577 0.000 1.106 422 L CA 0.367 54.873 54.840 -0.556 0.000 0.793 422 L CB -0.344 41.426 42.059 -0.483 0.000 0.927 422 L HN 0.207 nan 8.230 nan 0.000 0.446 423 V N 0.234 119.981 119.914 -0.279 0.000 2.295 423 V HA -0.336 3.785 4.120 0.002 0.000 0.246 423 V C 2.157 178.197 176.094 -0.090 0.000 1.049 423 V CA 2.288 64.495 62.300 -0.154 0.000 1.024 423 V CB -0.406 31.329 31.823 -0.148 0.000 0.648 423 V HN 0.493 nan 8.190 nan 0.000 0.447 424 D N -0.124 120.217 120.400 -0.097 0.000 2.149 424 D HA -0.161 4.480 4.640 0.002 0.000 0.198 424 D C 2.088 178.366 176.300 -0.038 0.000 0.990 424 D CA 1.466 55.455 54.000 -0.018 0.000 0.839 424 D CB -0.112 40.669 40.800 -0.032 0.000 0.948 424 D HN 0.403 nan 8.370 nan 0.000 0.460 425 A N -0.403 122.297 122.820 -0.199 0.000 1.855 425 A HA -0.088 4.233 4.320 0.002 0.000 0.215 425 A C 1.884 179.452 177.584 -0.027 0.000 1.191 425 A CA 1.117 53.018 52.037 -0.225 0.000 0.613 425 A CB -0.997 17.714 19.000 -0.482 0.000 0.829 425 A HN 0.310 nan 8.150 nan 0.000 0.442 426 F N 0.803 120.820 119.950 0.112 0.000 2.325 426 F HA -0.005 4.523 4.527 0.002 0.000 0.299 426 F C 2.535 178.470 175.800 0.225 0.000 1.090 426 F CA 0.918 59.051 58.000 0.221 0.000 1.392 426 F CB -0.887 38.308 39.000 0.325 0.000 1.053 426 F HN 0.098 nan 8.300 nan 0.000 0.521 427 S N -0.551 115.357 115.700 0.346 0.000 2.561 427 S HA -0.011 4.460 4.470 0.002 0.000 0.225 427 S C 1.941 176.747 174.600 0.343 0.000 0.977 427 S CA 0.451 58.853 58.200 0.337 0.000 0.926 427 S CB -0.086 63.277 63.200 0.271 0.000 0.769 427 S HN 0.359 nan 8.310 nan 0.000 0.533 428 R N 0.311 120.935 120.500 0.207 0.000 2.225 428 R HA 0.220 4.562 4.340 0.002 0.000 0.194 428 R C 0.887 177.234 176.300 0.078 0.000 0.957 428 R CA 0.116 56.257 56.100 0.067 0.000 1.042 428 R CB 0.251 30.540 30.300 -0.018 0.000 1.004 428 R HN 0.306 nan 8.270 nan 0.000 0.509 429 Q N 2.453 122.331 119.800 0.130 0.000 2.279 429 Q HA 0.211 4.553 4.340 0.002 0.000 0.256 429 Q C -2.329 173.749 176.000 0.131 0.000 0.937 429 Q CA -2.347 53.518 55.803 0.103 0.000 0.933 429 Q CB 1.391 30.188 28.738 0.099 0.000 1.189 429 Q HN -0.060 nan 8.270 nan 0.000 0.417 430 P HA 0.029 nan 4.420 nan 0.000 0.271 430 P C -1.267 176.148 177.300 0.192 0.000 1.216 430 P CA 0.048 63.238 63.100 0.151 0.000 0.776 430 P CB 0.865 32.665 31.700 0.167 0.000 0.881 431 A N 3.314 126.232 122.820 0.164 0.000 2.286 431 A HA 0.613 4.934 4.320 0.002 0.000 0.286 431 A C 0.828 178.517 177.584 0.175 0.000 1.097 431 A CA -0.232 51.903 52.037 0.164 0.000 0.821 431 A CB -0.014 19.059 19.000 0.122 0.000 1.076 431 A HN 0.578 nan 8.150 nan 0.000 0.490 432 G N 0.198 109.126 108.800 0.212 0.000 2.483 432 G HA2 0.410 4.371 3.960 0.002 0.000 0.248 432 G HA3 0.410 4.371 3.960 0.002 0.000 0.248 432 G C 0.325 175.167 174.900 -0.097 0.000 1.248 432 G CA -0.546 44.576 45.100 0.037 0.000 0.838 432 G HN 0.902 nan 8.290 nan 0.000 0.566 433 R N 2.253 122.622 120.500 -0.218 0.000 2.449 433 R HA 0.107 4.448 4.340 0.002 0.000 0.296 433 R C 0.903 177.113 176.300 -0.151 0.000 1.047 433 R CA -0.381 55.592 56.100 -0.212 0.000 1.018 433 R CB 0.204 30.362 30.300 -0.236 0.000 0.962 433 R HN 0.556 nan 8.270 nan 0.000 0.428 434 I N 3.472 123.945 120.570 -0.161 0.000 2.133 434 I HA -0.091 4.080 4.170 0.002 0.000 0.238 434 I C 1.650 177.731 176.117 -0.061 0.000 1.074 434 I CA 1.398 62.641 61.300 -0.094 0.000 1.342 434 I CB -0.514 37.387 38.000 -0.165 0.000 1.053 434 I HN 0.760 nan 8.210 nan 0.000 0.404 435 G N -1.160 107.614 108.800 -0.043 0.000 2.535 435 G HA2 0.396 4.357 3.960 0.002 0.000 0.282 435 G HA3 0.396 4.357 3.960 0.002 0.000 0.282 435 G C 0.908 175.754 174.900 -0.091 0.000 1.350 435 G CA 0.216 45.285 45.100 -0.053 0.000 1.039 435 G HN 0.588 nan 8.290 nan 0.000 0.509 436 G N -2.097 106.643 108.800 -0.101 0.000 2.383 436 G HA2 0.327 4.288 3.960 0.002 0.000 0.229 436 G HA3 0.327 4.288 3.960 0.002 0.000 0.229 436 G C 1.364 176.209 174.900 -0.093 0.000 1.089 436 G CA 0.900 45.938 45.100 -0.102 0.000 0.640 436 G HN 2.878 nan 8.290 nan 0.000 0.510 437 G N -1.000 107.748 108.800 -0.086 0.000 2.663 437 G HA2 0.381 4.342 3.960 0.002 0.000 0.686 437 G HA3 0.381 4.342 3.960 0.002 0.000 0.686 437 G C 0.176 175.051 174.900 -0.040 0.000 1.288 437 G CA 0.483 45.548 45.100 -0.059 0.000 0.836 437 G HN 1.665 nan 8.290 nan 0.000 0.584 438 R N -1.228 119.263 120.500 -0.015 0.000 3.416 438 R HA -0.209 4.133 4.340 0.002 0.000 0.263 438 R C 0.453 176.740 176.300 -0.022 0.000 1.053 438 R CA 1.169 57.259 56.100 -0.017 0.000 0.705 438 R CB -1.247 29.039 30.300 -0.023 0.000 1.124 438 R HN 0.786 nan 8.270 nan 0.000 0.444 439 N N 0.242 118.935 118.700 -0.011 0.000 2.547 439 N HA 0.286 5.027 4.740 0.002 0.000 0.285 439 N C -1.157 174.386 175.510 0.056 0.000 1.600 439 N CA -0.221 52.829 53.050 0.000 0.000 0.872 439 N CB 0.771 39.223 38.487 -0.057 0.000 1.412 439 N HN 0.245 nan 8.380 nan 0.000 0.489 440 I N 0.153 120.760 120.570 0.063 0.000 2.389 440 I HA 0.259 4.430 4.170 0.002 0.000 0.288 440 I C -0.112 176.042 176.117 0.063 0.000 0.999 440 I CA -1.057 60.299 61.300 0.093 0.000 1.129 440 I CB 1.571 39.630 38.000 0.099 0.000 1.288 440 I HN 0.055 nan 8.210 nan 0.000 0.444 441 D N 4.845 125.275 120.400 0.050 0.000 2.443 441 D HA -0.063 4.578 4.640 0.002 0.000 0.239 441 D C 1.705 177.910 176.300 -0.158 0.000 1.136 441 D CA 0.257 54.208 54.000 -0.081 0.000 0.879 441 D CB 0.753 41.440 40.800 -0.188 0.000 1.195 441 D HN 0.576 nan 8.370 nan 0.000 0.443 442 H N 2.851 121.801 119.070 -0.201 0.000 2.456 442 H HA -0.143 4.414 4.556 0.002 0.000 0.296 442 H C 1.035 176.258 175.328 -0.176 0.000 1.079 442 H CA 1.569 57.496 56.048 -0.201 0.000 1.322 442 H CB -0.423 29.185 29.762 -0.256 0.000 1.388 442 H HN 0.645 nan 8.280 nan 0.000 0.538 443 H N 1.831 120.550 119.070 -0.586 0.000 2.321 443 H HA -0.031 4.526 4.556 0.002 0.000 0.300 443 H C 2.207 177.557 175.328 0.036 0.000 1.087 443 H CA 2.042 57.916 56.048 -0.291 0.000 1.319 443 H CB 0.011 29.436 29.762 -0.561 0.000 1.379 443 H HN 0.561 nan 8.280 nan 0.000 0.501 444 I N -1.204 119.437 120.570 0.119 0.000 3.891 444 I HA 0.141 4.312 4.170 0.002 0.000 0.331 444 I C 1.198 177.344 176.117 0.048 0.000 1.406 444 I CA 0.064 61.473 61.300 0.182 0.000 1.139 444 I CB 0.252 38.444 38.000 0.320 0.000 1.056 444 I HN 0.068 nan 8.210 nan 0.000 0.399 445 L N 2.012 123.274 121.223 0.066 0.000 2.201 445 L HA -0.148 4.193 4.340 0.002 0.000 0.212 445 L C 2.569 179.448 176.870 0.014 0.000 1.105 445 L CA 2.141 57.004 54.840 0.038 0.000 0.775 445 L CB -0.788 41.306 42.059 0.059 0.000 0.913 445 L HN 0.630 nan 8.230 nan 0.000 0.440 446 H N -3.135 115.958 119.070 0.037 0.000 2.489 446 H HA -0.074 4.484 4.556 0.002 0.000 0.293 446 H C 1.743 177.068 175.328 -0.005 0.000 1.066 446 H CA 1.396 57.461 56.048 0.028 0.000 1.305 446 H CB -0.941 28.852 29.762 0.052 0.000 1.386 446 H HN 0.177 nan 8.280 nan 0.000 0.551 447 V N 1.464 121.028 119.914 -0.584 0.000 2.237 447 V HA -0.270 3.851 4.120 0.002 0.000 0.245 447 V C 2.945 178.839 176.094 -0.333 0.000 1.046 447 V CA 1.844 63.854 62.300 -0.484 0.000 1.007 447 V CB -1.380 30.063 31.823 -0.633 0.000 0.638 447 V HN 0.757 nan 8.190 nan 0.000 0.445 448 A N -0.069 122.602 122.820 -0.249 0.000 1.948 448 A HA -0.202 4.119 4.320 0.002 0.000 0.220 448 A C 2.391 179.955 177.584 -0.033 0.000 1.177 448 A CA 2.373 54.368 52.037 -0.070 0.000 0.636 448 A CB -0.818 18.241 19.000 0.097 0.000 0.815 448 A HN 0.361 nan 8.150 nan 0.000 0.449 449 V N 0.495 120.395 119.914 -0.023 0.000 2.261 449 V HA -0.257 3.864 4.120 0.002 0.000 0.246 449 V C 2.196 178.278 176.094 -0.021 0.000 1.047 449 V CA 2.271 64.580 62.300 0.015 0.000 1.015 449 V CB -0.811 31.041 31.823 0.048 0.000 0.642 449 V HN 0.525 nan 8.190 nan 0.000 0.446 450 D N 0.072 120.438 120.400 -0.057 0.000 2.178 450 D HA -0.127 4.514 4.640 0.002 0.000 0.201 450 D C 2.176 178.385 176.300 -0.152 0.000 0.980 450 D CA 1.322 55.281 54.000 -0.070 0.000 0.842 450 D CB -0.124 40.647 40.800 -0.049 0.000 0.948 450 D HN 0.350 nan 8.370 nan 0.000 0.472 451 V N 1.444 121.180 119.914 -0.297 0.000 2.295 451 V HA -0.233 3.888 4.120 0.002 0.000 0.246 451 V C 2.563 178.518 176.094 -0.231 0.000 1.049 451 V CA 1.153 63.172 62.300 -0.470 0.000 1.024 451 V CB -0.380 30.847 31.823 -0.994 0.000 0.648 451 V HN 0.175 nan 8.190 nan 0.000 0.447 452 I N 0.610 121.130 120.570 -0.084 0.000 2.179 452 I HA -0.246 3.925 4.170 0.002 0.000 0.242 452 I C 2.910 179.051 176.117 0.040 0.000 1.088 452 I CA 2.114 63.446 61.300 0.053 0.000 1.357 452 I CB -0.695 37.376 38.000 0.119 0.000 1.051 452 I HN 0.362 nan 8.210 nan 0.000 0.409 453 K N 0.550 120.959 120.400 0.014 0.000 2.148 453 K HA -0.186 4.135 4.320 0.002 0.000 0.204 453 K C 1.920 178.527 176.600 0.011 0.000 1.050 453 K CA 1.672 57.973 56.287 0.023 0.000 0.942 453 K CB -0.878 31.635 32.500 0.021 0.000 0.724 453 K HN 0.525 nan 8.250 nan 0.000 0.446 454 E N 0.104 120.289 120.200 -0.026 0.000 2.107 454 E HA -0.145 4.206 4.350 0.002 0.000 0.191 454 E C 2.333 178.928 176.600 -0.009 0.000 0.982 454 E CA 1.185 57.568 56.400 -0.029 0.000 0.809 454 E CB -0.054 29.597 29.700 -0.083 0.000 0.756 454 E HN 0.589 nan 8.360 nan 0.000 0.459 455 S N 0.294 115.991 115.700 -0.005 0.000 2.383 455 S HA -0.168 4.304 4.470 0.002 0.000 0.229 455 S C 1.948 176.589 174.600 0.068 0.000 1.030 455 S CA 1.243 59.466 58.200 0.039 0.000 1.002 455 S CB -0.138 63.117 63.200 0.091 0.000 0.829 455 S HN 0.237 nan 8.310 nan 0.000 0.467 456 R N -0.091 120.452 120.500 0.072 0.000 2.148 456 R HA 0.079 4.420 4.340 0.002 0.000 0.223 456 R C 2.246 178.583 176.300 0.062 0.000 1.088 456 R CA 1.166 57.313 56.100 0.079 0.000 0.985 456 R CB -0.346 30.003 30.300 0.081 0.000 0.880 456 R HN 0.324 nan 8.270 nan 0.000 0.451 457 V N 0.813 120.757 119.914 0.050 0.000 2.307 457 V HA -0.178 3.943 4.120 0.002 0.000 0.245 457 V C 1.779 177.903 176.094 0.050 0.000 1.045 457 V CA 1.300 63.629 62.300 0.049 0.000 1.024 457 V CB -0.253 31.597 31.823 0.045 0.000 0.651 457 V HN 0.204 nan 8.190 nan 0.000 0.449 458 L N 0.564 121.813 121.223 0.044 0.000 2.551 458 L HA 0.110 4.451 4.340 0.002 0.000 0.228 458 L C 1.800 178.701 176.870 0.051 0.000 1.153 458 L CA 1.477 56.341 54.840 0.040 0.000 0.851 458 L CB -2.002 40.069 42.059 0.020 0.000 0.959 458 L HN 0.578 nan 8.230 nan 0.000 0.451 459 R N -0.818 119.720 120.500 0.063 0.000 3.322 459 R HA -0.226 4.115 4.340 0.002 0.000 0.253 459 R C 0.279 176.633 176.300 0.090 0.000 0.987 459 R CA 1.027 57.172 56.100 0.075 0.000 0.666 459 R CB -3.292 27.045 30.300 0.061 0.000 1.072 459 R HN 0.159 nan 8.270 nan 0.000 0.447 460 L N 1.198 122.486 121.223 0.107 0.000 2.485 460 L HA 0.161 4.502 4.340 0.002 0.000 0.275 460 L C 1.415 178.393 176.870 0.180 0.000 1.207 460 L CA 0.414 55.345 54.840 0.152 0.000 0.855 460 L CB 1.062 43.205 42.059 0.140 0.000 1.114 460 L HN 0.697 nan 8.230 nan 0.000 0.485 461 Q N 4.253 124.141 119.800 0.147 0.000 2.454 461 Q HA 0.156 4.497 4.340 0.002 0.000 0.247 461 Q C -2.004 174.067 176.000 0.117 0.000 1.028 461 Q CA -1.584 54.212 55.803 -0.012 0.000 0.910 461 Q CB 0.174 28.682 28.738 -0.383 0.000 1.276 461 Q HN 0.433 nan 8.270 nan 0.000 0.489 462 P HA -0.141 nan 4.420 nan 0.000 0.269 462 P C -0.079 177.373 177.300 0.254 0.000 1.211 462 P CA 0.233 63.401 63.100 0.113 0.000 0.781 462 P CB 0.335 32.033 31.700 -0.003 0.000 0.877 463 F N 2.519 122.567 119.950 0.163 0.000 2.091 463 F HA -0.279 4.249 4.527 0.002 0.000 0.299 463 F C 1.683 177.575 175.800 0.152 0.000 1.103 463 F CA 1.991 60.119 58.000 0.213 0.000 1.228 463 F CB -0.612 38.418 39.000 0.051 0.000 0.984 463 F HN 0.242 nan 8.300 nan 0.000 0.477 464 N N 0.393 119.115 118.700 0.036 0.000 2.381 464 N HA -0.126 4.615 4.740 0.002 0.000 0.182 464 N C 1.676 177.082 175.510 -0.173 0.000 1.025 464 N CA 1.001 53.981 53.050 -0.115 0.000 0.888 464 N CB -0.345 38.117 38.487 -0.042 0.000 0.965 464 N HN 0.382 nan 8.380 nan 0.000 0.438 465 E N -0.430 119.651 120.200 -0.197 0.000 2.107 465 E HA -0.070 4.282 4.350 0.002 0.000 0.191 465 E C 1.395 177.821 176.600 -0.289 0.000 0.982 465 E CA 0.711 56.906 56.400 -0.343 0.000 0.809 465 E CB -0.276 29.059 29.700 -0.609 0.000 0.756 465 E HN 0.496 nan 8.360 nan 0.000 0.459 466 Y N 0.841 121.091 120.300 -0.083 0.000 2.373 466 Y HA -0.035 4.516 4.550 0.002 0.000 0.293 466 Y C 2.395 178.333 175.900 0.064 0.000 1.129 466 Y CA 0.693 58.840 58.100 0.079 0.000 1.226 466 Y CB 0.072 38.682 38.460 0.250 0.000 1.000 466 Y HN -0.075 nan 8.280 nan 0.000 0.549 467 R N 0.636 121.102 120.500 -0.056 0.000 2.073 467 R HA -0.154 4.187 4.340 0.002 0.000 0.234 467 R C 1.954 178.220 176.300 -0.057 0.000 1.134 467 R CA 1.431 57.443 56.100 -0.148 0.000 0.952 467 R CB -0.506 29.583 30.300 -0.351 0.000 0.850 467 R HN 0.356 nan 8.270 nan 0.000 0.433 468 K N 0.064 120.397 120.400 -0.110 0.000 2.209 468 K HA -0.133 4.188 4.320 0.002 0.000 0.204 468 K C 2.105 178.641 176.600 -0.106 0.000 1.048 468 K CA 0.902 57.113 56.287 -0.126 0.000 0.940 468 K CB -0.098 32.286 32.500 -0.193 0.000 0.729 468 K HN -0.118 nan 8.250 nan 0.000 0.451 469 R N 0.359 120.803 120.500 -0.093 0.000 2.148 469 R HA -0.016 4.325 4.340 0.002 0.000 0.223 469 R C 0.427 176.530 176.300 -0.327 0.000 1.088 469 R CA 1.165 57.150 56.100 -0.191 0.000 0.985 469 R CB -0.015 30.172 30.300 -0.189 0.000 0.880 469 R HN 0.048 nan 8.270 nan 0.000 0.451 470 F N -0.560 119.388 119.950 -0.004 0.000 2.923 470 F HA 0.346 4.874 4.527 0.002 0.000 0.314 470 F C 1.184 176.983 175.800 -0.001 0.000 1.196 470 F CA 0.113 58.115 58.000 0.003 0.000 1.320 470 F CB 0.918 39.932 39.000 0.024 0.000 0.953 470 F HN 0.203 nan 8.300 nan 0.000 0.505 471 G N 0.804 109.655 108.800 0.086 0.000 2.179 471 G HA2 -0.327 3.635 3.960 0.002 0.000 0.257 471 G HA3 -0.327 3.635 3.960 0.002 0.000 0.257 471 G C 0.108 175.042 174.900 0.056 0.000 1.010 471 G CA 0.112 45.257 45.100 0.076 0.000 0.736 471 G HN 0.354 nan 8.290 nan 0.000 0.513 472 M N -0.607 119.005 119.600 0.021 0.000 2.644 472 M HA 0.476 4.958 4.480 0.002 0.000 0.316 472 M C 0.483 176.726 176.300 -0.095 0.000 1.200 472 M CA -0.774 54.503 55.300 -0.040 0.000 0.944 472 M CB 1.607 34.159 32.600 -0.081 0.000 1.691 472 M HN 0.033 nan 8.290 nan 0.000 0.471 473 K N 2.361 122.687 120.400 -0.124 0.000 2.326 473 K HA 0.289 4.611 4.320 0.002 0.000 0.275 473 K C -2.348 174.103 176.600 -0.249 0.000 1.018 473 K CA -1.410 54.792 56.287 -0.142 0.000 0.962 473 K CB -0.060 32.378 32.500 -0.104 0.000 0.953 473 K HN 0.286 nan 8.250 nan 0.000 0.475 474 P HA -0.028 nan 4.420 nan 0.000 0.271 474 P C -0.973 176.234 177.300 -0.156 0.000 1.218 474 P CA 0.076 63.059 63.100 -0.195 0.000 0.780 474 P CB 0.347 31.980 31.700 -0.112 0.000 0.901 475 Y N 0.554 120.834 120.300 -0.032 0.000 2.425 475 Y HA 0.021 4.572 4.550 0.002 0.000 0.331 475 Y C 2.242 178.095 175.900 -0.077 0.000 1.157 475 Y CA 0.085 58.155 58.100 -0.049 0.000 1.372 475 Y CB 0.560 38.982 38.460 -0.063 0.000 1.253 475 Y HN 0.411 nan 8.280 nan 0.000 0.536 476 T N -2.301 112.330 114.554 0.128 0.000 3.067 476 T HA 0.104 4.455 4.350 0.002 0.000 0.257 476 T C 0.318 175.027 174.700 0.015 0.000 1.105 476 T CA 0.444 62.573 62.100 0.049 0.000 1.104 476 T CB -0.068 68.828 68.868 0.047 0.000 0.925 476 T HN 0.497 nan 8.240 nan 0.000 0.498 477 S N -1.222 114.472 115.700 -0.010 0.000 2.596 477 S HA 0.608 5.079 4.470 0.002 0.000 0.270 477 S C -0.156 174.351 174.600 -0.154 0.000 1.155 477 S CA -0.976 57.199 58.200 -0.042 0.000 0.827 477 S CB 0.503 63.712 63.200 0.015 0.000 1.130 477 S HN -0.038 nan 8.310 nan 0.000 0.467 478 F N 1.030 120.933 119.950 -0.077 0.000 2.259 478 F HA 0.028 4.556 4.527 0.002 0.000 0.298 478 F C 2.570 178.261 175.800 -0.182 0.000 1.088 478 F CA 1.049 58.961 58.000 -0.147 0.000 1.358 478 F CB -0.188 38.742 39.000 -0.116 0.000 1.040 478 F HN 0.546 nan 8.300 nan 0.000 0.505 479 Q N 0.118 119.946 119.800 0.046 0.000 2.124 479 Q HA -0.222 4.119 4.340 0.002 0.000 0.202 479 Q C 2.036 177.979 176.000 -0.095 0.000 0.977 479 Q CA 1.543 57.335 55.803 -0.019 0.000 0.850 479 Q CB -0.370 28.368 28.738 0.001 0.000 0.901 479 Q HN 0.435 nan 8.270 nan 0.000 0.429 480 E N -0.187 119.930 120.200 -0.139 0.000 2.152 480 E HA -0.156 4.196 4.350 0.002 0.000 0.192 480 E C 1.735 178.038 176.600 -0.494 0.000 0.983 480 E CA 0.521 56.800 56.400 -0.201 0.000 0.818 480 E CB 0.028 29.677 29.700 -0.085 0.000 0.758 480 E HN 0.308 nan 8.360 nan 0.000 0.467 481 L N 0.555 121.360 121.223 -0.696 0.000 2.027 481 L HA -0.138 4.204 4.340 0.002 0.000 0.206 481 L C 2.514 179.125 176.870 -0.432 0.000 1.074 481 L CA 2.436 56.742 54.840 -0.891 0.000 0.745 481 L CB -0.581 41.065 42.059 -0.689 0.000 0.898 481 L HN 0.192 nan 8.230 nan 0.000 0.433 482 T N -4.357 110.042 114.554 -0.257 0.000 3.009 482 T HA 0.292 4.644 4.350 0.002 0.000 0.258 482 T C 1.690 176.308 174.700 -0.136 0.000 1.063 482 T CA 0.670 62.668 62.100 -0.171 0.000 1.139 482 T CB -0.094 68.702 68.868 -0.120 0.000 0.890 482 T HN 0.649 nan 8.240 nan 0.000 0.471 483 G N 1.894 110.618 108.800 -0.125 0.000 2.363 483 G HA2 -0.291 3.670 3.960 0.002 0.000 0.238 483 G HA3 -0.291 3.670 3.960 0.002 0.000 0.238 483 G C 0.194 175.057 174.900 -0.062 0.000 1.062 483 G CA 0.487 45.535 45.100 -0.087 0.000 0.629 483 G HN 0.964 nan 8.290 nan 0.000 0.514 484 E N 0.048 120.212 120.200 -0.061 0.000 3.099 484 E HA 0.814 5.166 4.350 0.002 0.000 0.259 484 E C 1.075 177.654 176.600 -0.035 0.000 1.274 484 E CA -0.134 56.241 56.400 -0.043 0.000 1.111 484 E CB 0.445 30.122 29.700 -0.039 0.000 1.327 484 E HN 0.251 nan 8.360 nan 0.000 0.652 485 K N -1.257 119.129 120.400 -0.023 0.000 2.474 485 K HA 0.110 4.431 4.320 0.002 0.000 0.202 485 K C 1.763 178.357 176.600 -0.009 0.000 1.248 485 K CA 0.163 56.441 56.287 -0.014 0.000 0.946 485 K CB 0.417 32.912 32.500 -0.009 0.000 1.102 485 K HN 0.517 nan 8.250 nan 0.000 0.541 486 E N 1.275 121.472 120.200 -0.004 0.000 2.016 486 E HA -0.052 4.299 4.350 0.002 0.000 0.190 486 E C 1.939 178.558 176.600 0.031 0.000 0.985 486 E CA 1.008 57.416 56.400 0.012 0.000 0.802 486 E CB 0.174 29.882 29.700 0.014 0.000 0.762 486 E HN 0.126 nan 8.360 nan 0.000 0.448 487 M N 0.180 119.800 119.600 0.033 0.000 2.149 487 M HA -0.181 4.300 4.480 0.002 0.000 0.261 487 M C 2.366 178.579 176.300 -0.145 0.000 1.064 487 M CA 1.367 56.687 55.300 0.033 0.000 1.102 487 M CB -0.176 32.419 32.600 -0.008 0.000 1.369 487 M HN 0.210 nan 8.290 nan 0.000 0.408 488 A N 0.240 122.995 122.820 -0.107 0.000 1.902 488 A HA -0.099 4.223 4.320 0.002 0.000 0.217 488 A C 2.315 179.813 177.584 -0.143 0.000 1.181 488 A CA 1.971 53.945 52.037 -0.105 0.000 0.623 488 A CB -0.879 18.118 19.000 -0.005 0.000 0.818 488 A HN 0.521 nan 8.150 nan 0.000 0.443 489 A N -0.661 122.118 122.820 -0.069 0.000 1.902 489 A HA -0.170 4.151 4.320 0.002 0.000 0.217 489 A C 2.046 179.589 177.584 -0.068 0.000 1.181 489 A CA 1.756 53.766 52.037 -0.044 0.000 0.623 489 A CB -0.489 18.508 19.000 -0.005 0.000 0.818 489 A HN 0.637 nan 8.150 nan 0.000 0.443 490 E N -0.473 119.707 120.200 -0.033 0.000 2.152 490 E HA -0.050 4.301 4.350 0.002 0.000 0.192 490 E C 1.872 178.432 176.600 -0.067 0.000 0.983 490 E CA 0.482 56.911 56.400 0.049 0.000 0.818 490 E CB -0.113 29.741 29.700 0.255 0.000 0.758 490 E HN 0.630 nan 8.360 nan 0.000 0.467 491 L N 0.839 121.828 121.223 -0.389 0.000 2.156 491 L HA -0.116 4.226 4.340 0.002 0.000 0.208 491 L C 2.623 178.973 176.870 -0.866 0.000 1.095 491 L CA 0.824 55.202 54.840 -0.770 0.000 0.770 491 L CB -0.198 41.088 42.059 -1.288 0.000 0.914 491 L HN 0.137 nan 8.230 nan 0.000 0.439 492 E N 0.096 119.881 120.200 -0.692 0.000 2.150 492 E HA -0.234 4.117 4.350 0.002 0.000 0.193 492 E C 1.923 178.499 176.600 -0.039 0.000 0.985 492 E CA 0.865 57.140 56.400 -0.208 0.000 0.814 492 E CB 0.220 29.928 29.700 0.014 0.000 0.752 492 E HN 0.459 nan 8.360 nan 0.000 0.466 493 E N 0.436 120.595 120.200 -0.068 0.000 2.028 493 E HA -0.133 4.218 4.350 0.002 0.000 0.190 493 E C 2.421 179.012 176.600 -0.015 0.000 0.984 493 E CA 0.500 56.891 56.400 -0.014 0.000 0.800 493 E CB -0.054 29.643 29.700 -0.004 0.000 0.758 493 E HN 0.225 nan 8.360 nan 0.000 0.448 494 L N -0.330 120.864 121.223 -0.049 0.000 2.027 494 L HA -0.179 4.162 4.340 0.002 0.000 0.206 494 L C 2.507 179.312 176.870 -0.110 0.000 1.074 494 L CA 1.369 56.153 54.840 -0.094 0.000 0.745 494 L CB -0.464 41.522 42.059 -0.121 0.000 0.898 494 L HN 0.203 nan 8.230 nan 0.000 0.433 495 Y N -0.873 119.425 120.300 -0.003 0.000 2.365 495 Y HA 0.000 4.552 4.550 0.002 0.000 0.293 495 Y C 2.102 178.068 175.900 0.110 0.000 1.119 495 Y CA 0.769 58.921 58.100 0.086 0.000 1.203 495 Y CB 0.204 38.780 38.460 0.194 0.000 1.026 495 Y HN 0.321 nan 8.280 nan 0.000 0.549 496 G N -0.555 108.389 108.800 0.240 0.000 2.417 496 G HA2 -0.293 3.668 3.960 0.002 0.000 0.233 496 G HA3 -0.293 3.668 3.960 0.002 0.000 0.233 496 G C 0.015 175.045 174.900 0.216 0.000 1.103 496 G CA 0.450 45.658 45.100 0.180 0.000 0.647 496 G HN 0.374 nan 8.290 nan 0.000 0.512 497 D N -0.879 119.691 120.400 0.284 0.000 2.756 497 D HA 0.487 5.128 4.640 0.002 0.000 0.226 497 D C 1.018 177.450 176.300 0.219 0.000 1.186 497 D CA -0.356 53.776 54.000 0.220 0.000 0.845 497 D CB 1.939 42.820 40.800 0.135 0.000 1.610 497 D HN 0.115 nan 8.370 nan 0.000 0.465 498 I N 1.850 122.424 120.570 0.007 0.000 2.394 498 I HA -0.131 4.040 4.170 0.002 0.000 0.251 498 I C 1.220 177.191 176.117 -0.242 0.000 1.136 498 I CA 1.427 62.470 61.300 -0.429 0.000 1.425 498 I CB 0.044 37.759 38.000 -0.474 0.000 1.079 498 I HN 0.322 nan 8.210 nan 0.000 0.425 499 D N 0.576 120.933 120.400 -0.072 0.000 2.363 499 D HA 0.080 4.722 4.640 0.002 0.000 0.226 499 D C 1.788 178.092 176.300 0.006 0.000 1.020 499 D CA 0.931 54.918 54.000 -0.020 0.000 0.892 499 D CB 0.295 41.107 40.800 0.019 0.000 0.900 499 D HN 0.512 nan 8.370 nan 0.000 0.531 500 A N 0.238 123.057 122.820 -0.002 0.000 2.303 500 A HA 0.109 4.430 4.320 0.002 0.000 0.217 500 A C 0.959 178.429 177.584 -0.190 0.000 1.205 500 A CA -0.328 51.728 52.037 0.031 0.000 0.875 500 A CB 0.125 19.226 19.000 0.169 0.000 0.910 500 A HN 0.176 nan 8.150 nan 0.000 0.501 501 L N 1.216 122.201 121.223 -0.396 0.000 2.514 501 L HA 0.121 4.463 4.340 0.002 0.000 0.280 501 L C 0.227 176.953 176.870 -0.240 0.000 1.223 501 L CA 0.398 54.817 54.840 -0.701 0.000 0.864 501 L CB 0.152 41.948 42.059 -0.438 0.000 1.118 501 L HN 0.378 nan 8.230 nan 0.000 0.494 502 E N 3.144 123.242 120.200 -0.169 0.000 2.314 502 E HA 0.032 4.383 4.350 0.002 0.000 0.262 502 E C 0.330 177.083 176.600 0.255 0.000 1.093 502 E CA -0.294 56.204 56.400 0.163 0.000 0.908 502 E CB 0.822 30.682 29.700 0.266 0.000 1.091 502 E HN 0.694 nan 8.360 nan 0.000 0.425 503 F N 1.312 121.404 119.950 0.236 0.000 2.046 503 F HA -0.296 4.232 4.527 0.002 0.000 0.297 503 F C 2.042 177.982 175.800 0.233 0.000 1.123 503 F CA 1.733 59.909 58.000 0.293 0.000 1.199 503 F CB -0.231 38.851 39.000 0.137 0.000 0.972 503 F HN 0.602 nan 8.300 nan 0.000 0.474 504 Y N 1.018 121.357 120.300 0.067 0.000 2.243 504 Y HA 0.080 4.631 4.550 0.002 0.000 0.293 504 Y C -0.882 174.953 175.900 -0.108 0.000 1.124 504 Y CA 0.845 58.898 58.100 -0.080 0.000 1.159 504 Y CB -1.754 36.719 38.460 0.021 0.000 1.008 504 Y HN 0.028 nan 8.280 nan 0.000 0.527 505 P HA -0.107 nan 4.420 nan 0.000 0.216 505 P C 1.689 178.777 177.300 -0.353 0.000 1.150 505 P CA 2.327 65.319 63.100 -0.180 0.000 0.837 505 P CB -0.406 31.320 31.700 0.043 0.000 0.786 506 G N -0.431 108.080 108.800 -0.482 0.000 2.432 506 G HA2 -0.205 3.757 3.960 0.002 0.000 0.219 506 G HA3 -0.205 3.757 3.960 0.002 0.000 0.219 506 G C 1.473 175.787 174.900 -0.977 0.000 1.135 506 G CA 0.397 44.855 45.100 -1.070 0.000 0.767 506 G HN 0.235 nan 8.290 nan 0.000 0.550 507 L N -0.425 120.452 121.223 -0.577 0.000 2.217 507 L HA 0.164 4.505 4.340 0.002 0.000 0.211 507 L C 2.598 179.271 176.870 -0.328 0.000 1.107 507 L CA 0.429 55.060 54.840 -0.349 0.000 0.783 507 L CB -0.077 41.755 42.059 -0.378 0.000 0.919 507 L HN 0.204 nan 8.230 nan 0.000 0.442 508 L N -1.263 119.719 121.223 -0.401 0.000 2.408 508 L HA 0.000 4.341 4.340 0.002 0.000 0.215 508 L C 1.889 178.618 176.870 -0.234 0.000 1.081 508 L CA 0.297 54.952 54.840 -0.309 0.000 0.840 508 L CB 0.101 41.929 42.059 -0.386 0.000 1.002 508 L HN 0.212 nan 8.230 nan 0.000 0.468 509 L N -0.631 120.431 121.223 -0.270 0.000 2.567 509 L HA 0.097 4.439 4.340 0.002 0.000 0.225 509 L C 1.062 177.798 176.870 -0.224 0.000 1.119 509 L CA 0.011 54.716 54.840 -0.224 0.000 0.871 509 L CB -0.004 41.909 42.059 -0.244 0.000 1.036 509 L HN 0.187 nan 8.230 nan 0.000 0.459 510 E N 2.788 122.842 120.200 -0.244 0.000 2.384 510 E HA 0.030 4.381 4.350 0.002 0.000 0.266 510 E C -0.094 176.413 176.600 -0.157 0.000 1.012 510 E CA -0.487 55.791 56.400 -0.203 0.000 0.901 510 E CB 0.713 30.340 29.700 -0.121 0.000 0.967 510 E HN 0.140 nan 8.360 nan 0.000 0.435 511 K N 2.670 122.974 120.400 -0.161 0.000 2.511 511 K HA 0.018 4.339 4.320 0.002 0.000 0.280 511 K C -0.670 175.835 176.600 -0.158 0.000 1.008 511 K CA -0.394 55.808 56.287 -0.141 0.000 1.050 511 K CB 0.074 32.494 32.500 -0.132 0.000 0.889 511 K HN 0.287 nan 8.250 nan 0.000 0.484 512 C N 3.391 122.607 119.300 -0.139 0.000 2.534 512 C HA 0.162 4.623 4.460 0.002 0.000 0.385 512 C C 0.666 175.553 174.990 -0.172 0.000 1.264 512 C CA -0.803 58.124 59.018 -0.152 0.000 2.342 512 C CB -0.465 27.214 27.740 -0.101 0.000 2.564 512 C HN 0.730 nan 8.230 nan 0.000 0.603 513 H N 1.556 120.573 119.070 -0.089 0.000 2.948 513 H HA 0.084 4.642 4.556 0.002 0.000 0.351 513 H C -2.045 173.249 175.328 -0.057 0.000 1.079 513 H CA -0.740 55.228 56.048 -0.133 0.000 1.407 513 H CB -0.311 29.247 29.762 -0.340 0.000 1.373 513 H HN 0.393 nan 8.280 nan 0.000 0.605 514 P HA -0.118 nan 4.420 nan 0.000 0.257 514 P C -0.002 177.342 177.300 0.074 0.000 1.162 514 P CA 0.700 63.850 63.100 0.083 0.000 0.762 514 P CB -0.019 31.754 31.700 0.122 0.000 0.753 515 N N -0.487 118.222 118.700 0.014 0.000 2.735 515 N HA -0.160 4.581 4.740 0.002 0.000 0.248 515 N C -0.408 175.074 175.510 -0.046 0.000 1.083 515 N CA 0.796 53.832 53.050 -0.023 0.000 0.703 515 N CB -1.120 37.357 38.487 -0.016 0.000 1.005 515 N HN 0.295 nan 8.380 nan 0.000 0.550 516 S N -0.562 115.108 115.700 -0.050 0.000 2.704 516 S HA 0.510 4.981 4.470 0.002 0.000 0.305 516 S C 1.261 175.717 174.600 -0.240 0.000 1.107 516 S CA -0.777 57.357 58.200 -0.110 0.000 0.993 516 S CB 1.876 65.089 63.200 0.022 0.000 1.110 516 S HN 0.290 nan 8.310 nan 0.000 0.534 517 I N 0.553 120.849 120.570 -0.456 0.000 2.500 517 I HA 0.150 4.321 4.170 0.002 0.000 0.252 517 I C -0.410 175.393 176.117 -0.524 0.000 1.142 517 I CA 1.016 61.952 61.300 -0.608 0.000 1.451 517 I CB 0.079 37.541 38.000 -0.897 0.000 1.093 517 I HN 0.643 nan 8.210 nan 0.000 0.430 518 F N -1.844 117.999 119.950 -0.178 0.000 2.923 518 F HA 0.705 5.233 4.527 0.002 0.000 0.323 518 F C 0.354 176.069 175.800 -0.141 0.000 1.189 518 F CA -1.037 56.855 58.000 -0.180 0.000 0.930 518 F CB -0.131 38.730 39.000 -0.231 0.000 1.414 518 F HN -0.251 nan 8.300 nan 0.000 0.496 519 G N -0.411 108.475 108.800 0.143 0.000 2.588 519 G HA2 0.343 4.304 3.960 0.002 0.000 0.278 519 G HA3 0.343 4.304 3.960 0.002 0.000 0.278 519 G C 0.384 175.276 174.900 -0.014 0.000 1.307 519 G CA -0.048 44.985 45.100 -0.110 0.000 1.016 519 G HN 0.985 nan 8.290 nan 0.000 0.503 520 E N -1.083 119.030 120.200 -0.144 0.000 2.150 520 E HA -0.100 4.251 4.350 0.002 0.000 0.193 520 E C 2.174 178.851 176.600 0.129 0.000 0.985 520 E CA 1.438 57.947 56.400 0.182 0.000 0.814 520 E CB -0.247 29.570 29.700 0.194 0.000 0.752 520 E HN 0.242 nan 8.360 nan 0.000 0.466 521 S N 0.460 116.201 115.700 0.068 0.000 2.423 521 S HA -0.105 4.366 4.470 0.002 0.000 0.231 521 S C 1.720 176.274 174.600 -0.077 0.000 1.014 521 S CA 1.326 59.538 58.200 0.021 0.000 0.965 521 S CB -0.185 63.105 63.200 0.149 0.000 0.785 521 S HN 0.241 nan 8.310 nan 0.000 0.495 522 M N 1.262 120.765 119.600 -0.162 0.000 2.254 522 M HA 0.118 4.599 4.480 0.002 0.000 0.265 522 M C 1.508 177.644 176.300 -0.273 0.000 1.066 522 M CA 1.351 56.410 55.300 -0.401 0.000 1.123 522 M CB -0.367 31.586 32.600 -1.079 0.000 1.388 522 M HN 0.255 nan 8.290 nan 0.000 0.425 523 I N -0.716 119.823 120.570 -0.051 0.000 2.206 523 I HA -0.183 3.988 4.170 0.002 0.000 0.239 523 I C 2.042 178.217 176.117 0.097 0.000 1.078 523 I CA 0.809 62.190 61.300 0.134 0.000 1.367 523 I CB -0.690 37.501 38.000 0.318 0.000 1.078 523 I HN 0.140 nan 8.210 nan 0.000 0.413 524 E N 0.615 120.868 120.200 0.090 0.000 2.265 524 E HA -0.174 4.177 4.350 0.002 0.000 0.196 524 E C 2.090 178.634 176.600 -0.093 0.000 0.996 524 E CA 1.353 57.797 56.400 0.074 0.000 0.832 524 E CB -0.151 29.613 29.700 0.106 0.000 0.756 524 E HN 0.576 nan 8.360 nan 0.000 0.491 525 M N -1.073 118.358 119.600 -0.282 0.000 2.552 525 M HA 0.107 4.588 4.480 0.002 0.000 0.264 525 M C 2.178 178.303 176.300 -0.292 0.000 1.159 525 M CA 0.992 55.817 55.300 -0.791 0.000 1.176 525 M CB 0.163 32.419 32.600 -0.573 0.000 1.327 525 M HN 0.061 nan 8.290 nan 0.000 0.481 526 G N -0.034 108.775 108.800 0.015 0.000 2.453 526 G HA2 0.049 4.010 3.960 0.002 0.000 0.215 526 G HA3 0.049 4.010 3.960 0.002 0.000 0.215 526 G C 1.607 176.652 174.900 0.243 0.000 1.147 526 G CA 0.743 46.007 45.100 0.274 0.000 0.802 526 G HN 0.452 nan 8.290 nan 0.000 0.535 527 A N 1.765 124.677 122.820 0.153 0.000 1.902 527 A HA 0.052 4.373 4.320 0.002 0.000 0.217 527 A C 0.679 178.320 177.584 0.096 0.000 1.181 527 A CA 1.888 54.019 52.037 0.157 0.000 0.623 527 A CB -1.126 17.972 19.000 0.164 0.000 0.818 527 A HN 0.360 nan 8.150 nan 0.000 0.443 528 P HA -0.107 nan 4.420 nan 0.000 0.217 528 P C 1.075 178.284 177.300 -0.152 0.000 1.150 528 P CA 0.990 64.067 63.100 -0.038 0.000 0.832 528 P CB -0.163 31.533 31.700 -0.006 0.000 0.787 529 F N 0.299 120.151 119.950 -0.164 0.000 2.098 529 F HA -0.168 4.361 4.527 0.002 0.000 0.294 529 F C 2.650 178.106 175.800 -0.573 0.000 1.107 529 F CA 1.699 59.377 58.000 -0.535 0.000 1.234 529 F CB -1.018 37.239 39.000 -1.238 0.000 1.002 529 F HN -0.048 nan 8.300 nan 0.000 0.472 530 S N 0.371 115.960 115.700 -0.186 0.000 2.387 530 S HA -0.112 4.359 4.470 0.002 0.000 0.226 530 S C 1.888 176.570 174.600 0.137 0.000 1.026 530 S CA 0.887 59.151 58.200 0.107 0.000 0.972 530 S CB -0.917 62.565 63.200 0.470 0.000 0.814 530 S HN 0.368 nan 8.310 nan 0.000 0.477 531 L N 0.612 121.910 121.223 0.124 0.000 2.109 531 L HA 0.097 4.438 4.340 0.002 0.000 0.207 531 L C 2.793 179.754 176.870 0.152 0.000 1.086 531 L CA 1.258 56.181 54.840 0.139 0.000 0.760 531 L CB -0.402 41.736 42.059 0.130 0.000 0.910 531 L HN 0.291 nan 8.230 nan 0.000 0.437 532 K N 0.727 121.203 120.400 0.127 0.000 2.148 532 K HA -0.091 4.230 4.320 0.002 0.000 0.204 532 K C 1.926 178.602 176.600 0.127 0.000 1.050 532 K CA 1.381 57.768 56.287 0.167 0.000 0.942 532 K CB -0.448 32.078 32.500 0.044 0.000 0.724 532 K HN 0.209 nan 8.250 nan 0.000 0.446 533 G N 0.111 108.938 108.800 0.045 0.000 2.403 533 G HA2 -0.135 3.827 3.960 0.002 0.000 0.216 533 G HA3 -0.135 3.827 3.960 0.002 0.000 0.216 533 G C 1.173 176.112 174.900 0.066 0.000 1.154 533 G CA 0.561 45.656 45.100 -0.008 0.000 0.784 533 G HN 0.163 nan 8.290 nan 0.000 0.538 534 L N 0.319 121.616 121.223 0.124 0.000 2.034 534 L HA 0.187 4.528 4.340 0.002 0.000 0.203 534 L C 2.679 179.662 176.870 0.189 0.000 1.074 534 L CA 0.845 55.776 54.840 0.152 0.000 0.748 534 L CB -0.973 41.174 42.059 0.145 0.000 0.905 534 L HN 0.068 nan 8.230 nan 0.000 0.439 535 L N -0.440 120.909 121.223 0.209 0.000 2.291 535 L HA 0.022 4.364 4.340 0.002 0.000 0.214 535 L C 2.207 179.333 176.870 0.426 0.000 1.120 535 L CA 1.384 56.364 54.840 0.233 0.000 0.799 535 L CB -1.778 40.284 42.059 0.006 0.000 0.925 535 L HN 0.396 nan 8.230 nan 0.000 0.446 536 G N -0.502 108.557 108.800 0.431 0.000 2.776 536 G HA2 -0.179 3.782 3.960 0.002 0.000 0.209 536 G HA3 -0.179 3.782 3.960 0.002 0.000 0.209 536 G C 0.890 175.985 174.900 0.326 0.000 1.145 536 G CA -0.217 45.132 45.100 0.415 0.000 0.791 536 G HN 0.313 nan 8.290 nan 0.000 0.530 537 N N 1.190 120.063 118.700 0.288 0.000 2.468 537 N HA 0.065 4.806 4.740 0.002 0.000 0.265 537 N C -1.133 174.509 175.510 0.221 0.000 1.199 537 N CA -1.410 51.776 53.050 0.227 0.000 0.928 537 N CB 1.951 40.571 38.487 0.222 0.000 1.059 537 N HN -0.064 nan 8.380 nan 0.000 0.467 538 P HA -0.174 nan 4.420 nan 0.000 0.220 538 P C 1.465 178.672 177.300 -0.154 0.000 1.144 538 P CA 1.167 64.154 63.100 -0.188 0.000 0.800 538 P CB -0.104 31.375 31.700 -0.368 0.000 0.772 539 I N -3.406 117.317 120.570 0.255 0.000 2.756 539 I HA -0.101 4.070 4.170 0.002 0.000 0.262 539 I C 1.576 178.012 176.117 0.532 0.000 1.225 539 I CA 1.340 62.970 61.300 0.550 0.000 1.472 539 I CB -1.144 37.257 38.000 0.669 0.000 1.094 539 I HN -0.175 nan 8.210 nan 0.000 0.454 540 C N 1.696 121.155 119.300 0.266 0.000 2.626 540 C HA 0.210 4.671 4.460 0.002 0.000 0.266 540 C C 1.705 176.662 174.990 -0.056 0.000 1.317 540 C CA 0.175 59.253 59.018 0.100 0.000 1.716 540 C CB -2.079 25.780 27.740 0.199 0.000 1.819 540 C HN 0.702 nan 8.230 nan 0.000 0.578 541 S N 1.504 116.976 115.700 -0.380 0.000 2.601 541 S HA 0.267 4.738 4.470 0.002 0.000 0.271 541 S C -1.728 172.749 174.600 -0.205 0.000 1.305 541 S CA -0.709 56.976 58.200 -0.858 0.000 1.022 541 S CB 0.928 63.574 63.200 -0.924 0.000 0.940 541 S HN 0.039 nan 8.310 nan 0.000 0.525 542 P HA -0.081 nan 4.420 nan 0.000 0.218 542 P C 1.280 178.495 177.300 -0.142 0.000 1.148 542 P CA 1.093 63.837 63.100 -0.594 0.000 0.822 542 P CB 0.080 31.340 31.700 -0.735 0.000 0.784 543 E N -1.494 118.669 120.200 -0.061 0.000 2.106 543 E HA -0.160 4.191 4.350 0.002 0.000 0.192 543 E C 1.717 178.466 176.600 0.247 0.000 0.984 543 E CA 1.426 57.879 56.400 0.089 0.000 0.806 543 E CB -0.662 29.112 29.700 0.124 0.000 0.750 543 E HN 0.365 nan 8.360 nan 0.000 0.458 544 Y N -1.949 118.353 120.300 0.002 0.000 2.389 544 Y HA 0.023 4.575 4.550 0.002 0.000 0.292 544 Y C 0.970 176.961 175.900 0.152 0.000 1.117 544 Y CA -0.394 57.730 58.100 0.039 0.000 1.195 544 Y CB 0.057 38.560 38.460 0.071 0.000 1.076 544 Y HN 0.106 nan 8.280 nan 0.000 0.548 545 W N 4.446 125.896 121.300 0.251 0.000 1.282 545 W HA 0.089 4.750 4.660 0.002 0.000 0.527 545 W C -0.849 175.778 176.519 0.179 0.000 0.616 545 W CA 0.637 58.191 57.345 0.348 0.000 2.357 545 W CB -0.617 29.146 29.460 0.504 0.000 1.453 545 W HN 0.061 nan 8.180 nan 0.000 0.188 546 K N 0.672 120.935 120.400 -0.228 0.000 2.395 546 K HA 0.456 4.777 4.320 0.002 0.000 0.247 546 K C 0.702 176.784 176.600 -0.863 0.000 0.973 546 K CA -0.392 55.635 56.287 -0.433 0.000 0.828 546 K CB 1.781 34.162 32.500 -0.199 0.000 1.272 546 K HN -0.015 nan 8.250 nan 0.000 0.439 547 A N 0.764 123.130 122.820 -0.757 0.000 1.933 547 A HA -0.172 4.149 4.320 0.002 0.000 0.218 547 A C 2.007 179.472 177.584 -0.198 0.000 1.175 547 A CA 2.218 53.930 52.037 -0.541 0.000 0.628 547 A CB -0.817 18.126 19.000 -0.095 0.000 0.814 547 A HN 0.791 nan 8.150 nan 0.000 0.444 548 S N -0.468 115.131 115.700 -0.168 0.000 2.383 548 S HA -0.188 4.283 4.470 0.002 0.000 0.229 548 S C 1.789 176.295 174.600 -0.157 0.000 1.030 548 S CA 1.997 60.142 58.200 -0.092 0.000 1.002 548 S CB -1.437 61.715 63.200 -0.080 0.000 0.829 548 S HN 0.503 nan 8.310 nan 0.000 0.467 549 T N 1.397 115.743 114.554 -0.346 0.000 2.778 549 T HA -0.028 4.323 4.350 0.002 0.000 0.269 549 T C 0.559 174.853 174.700 -0.676 0.000 1.050 549 T CA 1.341 63.071 62.100 -0.617 0.000 1.137 549 T CB -0.524 67.781 68.868 -0.937 0.000 0.860 549 T HN 0.606 nan 8.240 nan 0.000 0.468 550 F N 0.202 120.086 119.950 -0.109 0.000 2.772 550 F HA 0.496 5.024 4.527 0.002 0.000 0.302 550 F C 1.582 177.413 175.800 0.051 0.000 1.136 550 F CA -0.601 57.396 58.000 -0.005 0.000 1.322 550 F CB -0.048 38.961 39.000 0.014 0.000 0.967 550 F HN 0.172 nan 8.300 nan 0.000 0.513 551 G N 0.291 109.194 108.800 0.171 0.000 2.153 551 G HA2 0.072 4.033 3.960 0.002 0.000 0.252 551 G HA3 0.072 4.033 3.960 0.002 0.000 0.252 551 G C 0.642 175.662 174.900 0.200 0.000 0.994 551 G CA 0.147 45.335 45.100 0.147 0.000 0.698 551 G HN 1.234 nan 8.290 nan 0.000 0.521 552 G N -1.638 107.250 108.800 0.148 0.000 2.318 552 G HA2 0.234 4.195 3.960 0.002 0.000 0.367 552 G HA3 0.234 4.195 3.960 0.002 0.000 0.367 552 G C 0.286 175.267 174.900 0.135 0.000 1.260 552 G CA 0.521 45.690 45.100 0.115 0.000 1.055 552 G HN 0.399 nan 8.290 nan 0.000 0.484 553 E N -0.423 119.844 120.200 0.111 0.000 2.208 553 E HA -0.021 4.330 4.350 0.002 0.000 0.193 553 E C 2.814 179.480 176.600 0.111 0.000 0.988 553 E CA 1.340 57.821 56.400 0.136 0.000 0.828 553 E CB -0.139 29.610 29.700 0.081 0.000 0.763 553 E HN 0.392 nan 8.360 nan 0.000 0.478 554 V N 0.664 120.626 119.914 0.079 0.000 2.261 554 V HA -0.182 3.939 4.120 0.002 0.000 0.246 554 V C 2.442 178.585 176.094 0.081 0.000 1.047 554 V CA 2.068 64.401 62.300 0.055 0.000 1.015 554 V CB -1.101 30.737 31.823 0.025 0.000 0.642 554 V HN 0.305 nan 8.190 nan 0.000 0.446 555 G N -1.145 107.735 108.800 0.133 0.000 2.408 555 G HA2 -0.254 3.707 3.960 0.002 0.000 0.217 555 G HA3 -0.254 3.707 3.960 0.002 0.000 0.217 555 G C 1.535 176.510 174.900 0.126 0.000 1.150 555 G CA 0.616 45.818 45.100 0.170 0.000 0.776 555 G HN 0.397 nan 8.290 nan 0.000 0.542 556 F N 2.077 121.971 119.950 -0.093 0.000 2.234 556 F HA 0.021 4.549 4.527 0.002 0.000 0.299 556 F C 2.305 177.965 175.800 -0.233 0.000 1.087 556 F CA 0.686 58.497 58.000 -0.316 0.000 1.340 556 F CB -0.261 38.612 39.000 -0.211 0.000 1.031 556 F HN 0.079 nan 8.300 nan 0.000 0.500 557 N N 0.400 119.075 118.700 -0.042 0.000 2.216 557 N HA -0.103 4.639 4.740 0.002 0.000 0.183 557 N C 2.157 177.635 175.510 -0.053 0.000 1.017 557 N CA 0.946 53.939 53.050 -0.095 0.000 0.861 557 N CB -0.436 38.026 38.487 -0.042 0.000 0.986 557 N HN 0.312 nan 8.380 nan 0.000 0.428 558 L N 0.602 121.820 121.223 -0.009 0.000 2.079 558 L HA -0.147 4.195 4.340 0.002 0.000 0.210 558 L C 2.254 179.147 176.870 0.039 0.000 1.081 558 L CA 0.847 55.700 54.840 0.022 0.000 0.752 558 L CB -0.438 41.651 42.059 0.049 0.000 0.896 558 L HN -0.030 nan 8.230 nan 0.000 0.433 559 V N -0.213 119.707 119.914 0.009 0.000 2.307 559 V HA -0.261 3.860 4.120 0.002 0.000 0.245 559 V C 2.325 178.495 176.094 0.128 0.000 1.045 559 V CA 1.706 64.055 62.300 0.081 0.000 1.024 559 V CB -0.443 31.377 31.823 -0.006 0.000 0.651 559 V HN 0.402 nan 8.190 nan 0.000 0.449 560 K N 0.224 120.617 120.400 -0.012 0.000 2.362 560 K HA -0.072 4.249 4.320 0.002 0.000 0.200 560 K C 1.450 178.067 176.600 0.029 0.000 1.046 560 K CA 1.577 57.858 56.287 -0.009 0.000 0.952 560 K CB -0.120 32.262 32.500 -0.198 0.000 0.753 560 K HN 0.699 nan 8.250 nan 0.000 0.466 561 T N -2.848 111.722 114.554 0.027 0.000 3.231 561 T HA 0.401 4.752 4.350 0.002 0.000 0.292 561 T C 0.235 174.959 174.700 0.040 0.000 1.001 561 T CA -0.622 61.494 62.100 0.026 0.000 0.920 561 T CB 0.504 69.372 68.868 -0.000 0.000 1.140 561 T HN 0.040 nan 8.240 nan 0.000 0.525 562 A N 1.454 124.318 122.820 0.074 0.000 2.483 562 A HA 0.594 4.915 4.320 0.002 0.000 0.238 562 A C 0.338 177.957 177.584 0.059 0.000 1.070 562 A CA 0.041 52.124 52.037 0.076 0.000 0.770 562 A CB 0.030 19.110 19.000 0.132 0.000 1.008 562 A HN 0.480 nan 8.150 nan 0.000 0.497 563 T N 1.885 116.452 114.554 0.021 0.000 2.894 563 T HA 0.329 4.681 4.350 0.002 0.000 0.309 563 T C 1.136 175.801 174.700 -0.058 0.000 1.208 563 T CA -0.677 61.417 62.100 -0.010 0.000 1.016 563 T CB 1.270 70.118 68.868 -0.034 0.000 1.192 563 T HN 0.523 nan 8.240 nan 0.000 0.491 564 L N 1.398 122.556 121.223 -0.109 0.000 2.046 564 L HA -0.077 4.265 4.340 0.002 0.000 0.208 564 L C 2.659 179.405 176.870 -0.207 0.000 1.077 564 L CA 1.710 56.426 54.840 -0.206 0.000 0.747 564 L CB -0.247 41.535 42.059 -0.462 0.000 0.896 564 L HN 0.710 nan 8.230 nan 0.000 0.432 565 K N 0.212 120.494 120.400 -0.196 0.000 2.032 565 K HA -0.244 4.078 4.320 0.002 0.000 0.209 565 K C 2.071 178.586 176.600 -0.142 0.000 1.048 565 K CA 1.688 57.868 56.287 -0.179 0.000 0.927 565 K CB 0.022 32.428 32.500 -0.158 0.000 0.712 565 K HN 0.261 nan 8.250 nan 0.000 0.441 566 K N 0.379 120.711 120.400 -0.113 0.000 2.217 566 K HA -0.116 4.206 4.320 0.002 0.000 0.202 566 K C 2.039 178.567 176.600 -0.120 0.000 1.051 566 K CA 0.712 56.942 56.287 -0.094 0.000 0.952 566 K CB -0.069 32.395 32.500 -0.060 0.000 0.736 566 K HN 0.092 nan 8.250 nan 0.000 0.453 567 L N 0.601 121.730 121.223 -0.157 0.000 2.093 567 L HA -0.147 4.194 4.340 0.002 0.000 0.208 567 L C 1.817 178.542 176.870 -0.243 0.000 1.085 567 L CA 1.379 56.076 54.840 -0.239 0.000 0.755 567 L CB 0.021 41.880 42.059 -0.333 0.000 0.904 567 L HN -0.108 nan 8.230 nan 0.000 0.435 568 V N -1.941 117.848 119.914 -0.207 0.000 2.326 568 V HA -0.202 3.919 4.120 0.002 0.000 0.238 568 V C 2.246 178.247 176.094 -0.155 0.000 1.038 568 V CA 1.561 63.743 62.300 -0.196 0.000 1.032 568 V CB -0.483 31.224 31.823 -0.193 0.000 0.675 568 V HN 0.493 nan 8.190 nan 0.000 0.467 569 c N 0.272 118.792 118.600 -0.134 0.000 2.491 569 c HA 0.117 4.688 4.570 0.002 0.000 0.277 569 c C 2.128 176.164 174.090 -0.090 0.000 1.455 569 c CA 0.087 56.352 56.329 -0.106 0.000 1.758 569 c CB -1.274 41.179 42.510 -0.096 0.000 1.745 569 c HN 0.435 nan 8.230 nan 0.000 0.558 570 L N 0.942 122.107 121.223 -0.095 0.000 2.607 570 L HA 0.180 4.521 4.340 0.002 0.000 0.228 570 L C 1.520 178.338 176.870 -0.086 0.000 1.123 570 L CA 1.312 56.104 54.840 -0.079 0.000 0.890 570 L CB -0.585 41.432 42.059 -0.069 0.000 1.103 570 L HN 0.340 nan 8.230 nan 0.000 0.468 571 N N -1.425 117.210 118.700 -0.108 0.000 2.171 571 N HA 0.126 4.867 4.740 0.002 0.000 0.212 571 N C 0.393 175.829 175.510 -0.123 0.000 1.184 571 N CA 0.348 53.327 53.050 -0.118 0.000 0.888 571 N CB 1.165 39.567 38.487 -0.142 0.000 1.038 571 N HN 0.308 nan 8.380 nan 0.000 0.517 572 T N -3.676 110.814 114.554 -0.108 0.000 2.926 572 T HA 0.559 4.910 4.350 0.002 0.000 0.289 572 T C 1.240 175.897 174.700 -0.072 0.000 1.054 572 T CA -0.476 61.566 62.100 -0.097 0.000 1.015 572 T CB 1.975 70.785 68.868 -0.097 0.000 1.167 572 T HN -0.028 nan 8.240 nan 0.000 0.526 573 K N 0.360 120.725 120.400 -0.059 0.000 2.076 573 K HA 0.282 4.603 4.320 0.002 0.000 0.204 573 K C 1.384 177.962 176.600 -0.038 0.000 1.051 573 K CA 1.472 57.734 56.287 -0.042 0.000 0.949 573 K CB -1.086 31.396 32.500 -0.031 0.000 0.726 573 K HN 1.090 nan 8.250 nan 0.000 0.443 574 T N -3.465 111.066 114.554 -0.039 0.000 2.908 574 T HA 0.453 4.805 4.350 0.002 0.000 0.290 574 T C -0.477 174.196 174.700 -0.045 0.000 1.034 574 T CA -0.736 61.343 62.100 -0.035 0.000 1.010 574 T CB 1.372 70.226 68.868 -0.024 0.000 1.068 574 T HN 0.269 nan 8.240 nan 0.000 0.481 575 c N 4.742 123.316 118.600 -0.043 0.000 2.265 575 c HA 0.713 5.284 4.570 0.002 0.000 0.332 575 c C -1.773 172.294 174.090 -0.039 0.000 1.248 575 c CA -1.203 55.094 56.329 -0.053 0.000 1.727 575 c CB -0.577 41.899 42.510 -0.056 0.000 2.348 575 c HN 0.873 nan 8.230 nan 0.000 0.519 576 P HA 0.213 nan 4.420 nan 0.000 0.301 576 P C -1.330 175.971 177.300 0.002 0.000 1.309 576 P CA -0.555 62.537 63.100 -0.014 0.000 0.782 576 P CB 0.413 32.094 31.700 -0.030 0.000 1.282 577 Y N 0.494 120.753 120.300 -0.069 0.000 2.537 577 Y HA 0.322 4.873 4.550 0.002 0.000 0.339 577 Y C -0.377 175.471 175.900 -0.087 0.000 1.066 577 Y CA 0.089 58.146 58.100 -0.073 0.000 1.357 577 Y CB -0.053 38.371 38.460 -0.060 0.000 1.175 577 Y HN 0.106 nan 8.280 nan 0.000 0.525 578 V N 7.027 126.585 119.914 -0.593 0.000 2.443 578 V HA 0.754 4.876 4.120 0.002 0.000 0.293 578 V C -1.166 174.514 176.094 -0.689 0.000 1.021 578 V CA 0.215 62.217 62.300 -0.496 0.000 0.848 578 V CB 1.317 32.957 31.823 -0.305 0.000 0.998 578 V HN 0.840 nan 8.190 nan 0.000 0.424 579 S N 4.644 119.973 115.700 -0.617 0.000 2.587 579 S HA 0.517 4.989 4.470 0.002 0.000 0.269 579 S C -0.301 174.119 174.600 -0.301 0.000 1.154 579 S CA -0.444 57.412 58.200 -0.574 0.000 0.824 579 S CB 1.475 64.176 63.200 -0.831 0.000 1.118 579 S HN 0.609 nan 8.310 nan 0.000 0.462 580 F N 1.485 121.396 119.950 -0.065 0.000 2.797 580 F HA 0.233 4.761 4.527 0.002 0.000 0.302 580 F C 0.956 176.847 175.800 0.152 0.000 1.130 580 F CA 0.182 58.273 58.000 0.150 0.000 1.387 580 F CB 0.192 39.338 39.000 0.244 0.000 1.107 580 F HN 0.698 nan 8.300 nan 0.000 0.577 581 H N -2.732 116.481 119.070 0.240 0.000 2.928 581 H HA 0.545 5.103 4.556 0.002 0.000 0.371 581 H C -0.579 174.896 175.328 0.246 0.000 1.186 581 H CA -1.663 54.486 56.048 0.169 0.000 1.134 581 H CB 0.477 30.287 29.762 0.079 0.000 1.824 581 H HN -0.175 nan 8.280 nan 0.000 0.554 582 V N -1.056 119.044 119.914 0.310 0.000 3.051 582 V HA 0.391 4.512 4.120 0.002 0.000 0.306 582 V C -2.179 174.050 176.094 0.225 0.000 1.083 582 V CA -1.592 60.836 62.300 0.214 0.000 1.104 582 V CB 0.062 31.953 31.823 0.113 0.000 1.027 582 V HN 0.869 nan 8.190 nan 0.000 0.483 583 P HA 0.214 nan 4.420 nan 0.000 0.274 583 P C -0.423 176.873 177.300 -0.006 0.000 1.246 583 P CA -0.103 62.958 63.100 -0.065 0.000 0.795 583 P CB 0.535 32.016 31.700 -0.365 0.000 1.006 584 D N 0.000 120.404 120.400 0.006 0.000 6.856 584 D HA 0.000 4.641 4.640 0.002 0.000 0.175 584 D CA 0.000 53.997 54.000 -0.005 0.000 0.868 584 D CB 0.000 40.796 40.800 -0.007 0.000 0.688 584 D HN 0.000 nan 8.370 nan 0.000 0.683