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 3n8v_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 0.000 177.324 177.300 0.040 0.000 1.155 32 P CA 0.000 63.122 63.100 0.037 0.000 0.800 32 P CB 0.000 31.724 31.700 0.041 0.000 0.726 33 V N 2.134 122.080 119.914 0.053 0.000 2.599 33 V HA 0.068 4.189 4.120 0.001 0.000 0.300 33 V C 0.599 176.732 176.094 0.066 0.000 1.034 33 V CA 0.089 62.424 62.300 0.058 0.000 1.115 33 V CB 0.253 32.134 31.823 0.096 0.000 0.934 33 V HN 0.762 nan 8.190 nan 0.000 0.485 34 N N 7.901 126.616 118.700 0.025 0.000 2.438 34 N HA 0.205 4.946 4.740 0.001 0.000 0.267 34 N C -1.725 173.797 175.510 0.021 0.000 1.222 34 N CA -1.272 51.785 53.050 0.012 0.000 0.930 34 N CB 1.344 39.816 38.487 -0.025 0.000 1.083 34 N HN 0.405 nan 8.380 nan 0.000 0.476 35 P HA -0.050 nan 4.420 nan 0.000 0.220 35 P C 0.573 177.768 177.300 -0.176 0.000 1.148 35 P CA 0.879 63.942 63.100 -0.061 0.000 0.803 35 P CB 0.161 31.768 31.700 -0.156 0.000 0.782 36 c N -2.148 116.351 118.600 -0.167 0.000 2.539 36 c HA 0.009 4.580 4.570 0.001 0.000 0.271 36 c C 2.466 176.358 174.090 -0.331 0.000 1.412 36 c CA 0.116 56.326 56.329 -0.198 0.000 1.729 36 c CB -2.110 40.343 42.510 -0.095 0.000 1.739 36 c HN 0.343 nan 8.230 nan 0.000 0.570 37 c N -0.744 117.646 118.600 -0.351 0.000 2.468 37 c HA -0.032 4.538 4.570 0.001 0.000 0.277 37 c C 2.103 175.636 174.090 -0.928 0.000 1.400 37 c CA 0.563 56.523 56.329 -0.615 0.000 1.770 37 c CB -1.484 40.752 42.510 -0.456 0.000 1.905 37 c HN 0.696 nan 8.230 nan 0.000 0.519 38 Y N -1.395 118.576 120.300 -0.548 0.000 2.544 38 Y HA 0.102 4.653 4.550 0.001 0.000 0.286 38 Y C 0.497 176.236 175.900 -0.269 0.000 1.141 38 Y CA 0.173 58.056 58.100 -0.362 0.000 1.299 38 Y CB -0.565 37.766 38.460 -0.215 0.000 1.030 38 Y HN 0.287 nan 8.280 nan 0.000 0.543 39 Y N -1.142 119.169 120.300 0.019 0.000 3.001 39 Y HA -0.198 4.353 4.550 0.001 0.000 0.187 39 Y C -1.858 174.028 175.900 -0.023 0.000 1.462 39 Y CA -0.780 57.305 58.100 -0.024 0.000 0.936 39 Y CB -1.900 36.540 38.460 -0.034 0.000 1.337 39 Y HN 0.180 nan 8.280 nan 0.000 0.428 40 P HA -0.003 nan 4.420 nan 0.000 0.224 40 P C 0.293 177.639 177.300 0.077 0.000 1.157 40 P CA 0.778 63.886 63.100 0.013 0.000 0.799 40 P CB 0.326 31.938 31.700 -0.148 0.000 0.809 41 c N 3.169 121.823 118.600 0.090 0.000 2.416 41 c HA 0.274 4.845 4.570 0.001 0.000 0.355 41 c C 0.776 174.888 174.090 0.037 0.000 1.211 41 c CA -0.587 55.802 56.329 0.100 0.000 1.699 41 c CB -1.270 41.316 42.510 0.127 0.000 2.310 41 c HN 0.258 nan 8.230 nan 0.000 0.539 42 Q N 1.986 121.786 119.800 0.000 0.000 2.354 42 Q HA 0.319 4.660 4.340 0.001 0.000 0.244 42 Q C 0.540 176.484 176.000 -0.094 0.000 0.969 42 Q CA 0.338 56.053 55.803 -0.147 0.000 0.885 42 Q CB 0.485 29.083 28.738 -0.233 0.000 1.241 42 Q HN 0.953 nan 8.270 nan 0.000 0.461 43 H N -0.089 118.891 119.070 -0.150 0.000 1.452 43 H HA -0.247 4.310 4.556 0.001 0.000 0.090 43 H C 0.028 175.317 175.328 -0.065 0.000 2.756 43 H CA 1.142 57.116 56.048 -0.123 0.000 1.901 43 H CB -0.797 28.870 29.762 -0.159 0.000 2.257 43 H HN 0.629 nan 8.280 nan 0.000 0.961 44 Q N 1.251 121.121 119.800 0.117 0.000 2.265 44 Q HA 0.171 4.512 4.340 0.001 0.000 0.217 44 Q C 0.651 176.696 176.000 0.075 0.000 0.916 44 Q CA 0.322 56.155 55.803 0.049 0.000 0.948 44 Q CB 0.220 28.968 28.738 0.017 0.000 1.020 44 Q HN 0.506 nan 8.270 nan 0.000 0.462 45 G N 0.870 109.725 108.800 0.093 0.000 2.406 45 G HA2 0.268 4.228 3.960 0.001 0.000 0.251 45 G HA3 0.268 4.228 3.960 0.001 0.000 0.251 45 G C -0.141 174.826 174.900 0.111 0.000 1.271 45 G CA -0.515 44.648 45.100 0.106 0.000 0.859 45 G HN 0.165 nan 8.290 nan 0.000 0.540 46 I N 1.442 122.088 120.570 0.128 0.000 2.342 46 I HA 0.151 4.321 4.170 0.001 0.000 0.291 46 I C 0.440 176.652 176.117 0.158 0.000 1.010 46 I CA -1.087 60.300 61.300 0.145 0.000 1.308 46 I CB 0.939 39.037 38.000 0.163 0.000 1.400 46 I HN 0.300 nan 8.210 nan 0.000 0.488 47 c N 8.224 126.910 118.600 0.143 0.000 2.349 47 c HA 0.521 5.092 4.570 0.001 0.000 0.348 47 c C 0.385 174.576 174.090 0.169 0.000 1.223 47 c CA -0.179 56.253 56.329 0.171 0.000 1.746 47 c CB -0.892 41.676 42.510 0.097 0.000 2.360 47 c HN 0.539 nan 8.230 nan 0.000 0.533 48 V N 7.337 127.397 119.914 0.244 0.000 2.513 48 V HA 0.520 4.640 4.120 0.001 0.000 0.299 48 V C 0.176 176.434 176.094 0.272 0.000 1.035 48 V CA -0.685 61.736 62.300 0.202 0.000 0.889 48 V CB 1.568 33.532 31.823 0.234 0.000 0.988 48 V HN 0.782 nan 8.190 nan 0.000 0.440 49 R N 2.814 123.370 120.500 0.092 0.000 2.229 49 R HA 0.574 4.914 4.340 0.001 0.000 0.328 49 R C -1.589 174.691 176.300 -0.033 0.000 1.009 49 R CA -0.267 55.906 56.100 0.121 0.000 0.864 49 R CB 0.630 30.960 30.300 0.050 0.000 1.085 49 R HN 0.609 nan 8.270 nan 0.000 0.453 50 F N 2.716 122.702 119.950 0.060 0.000 2.522 50 F HA 0.480 5.007 4.527 0.001 0.000 0.324 50 F C 1.226 177.041 175.800 0.025 0.000 1.077 50 F CA 0.504 58.519 58.000 0.026 0.000 0.944 50 F CB 2.114 41.117 39.000 0.004 0.000 1.175 50 F HN 0.870 nan 8.300 nan 0.000 0.468 51 G N 2.207 111.107 108.800 0.167 0.000 2.574 51 G HA2 -0.298 3.662 3.960 0.001 0.000 0.282 51 G HA3 -0.298 3.662 3.960 0.001 0.000 0.282 51 G C 0.606 175.548 174.900 0.070 0.000 1.257 51 G CA 0.368 45.531 45.100 0.104 0.000 0.956 51 G HN 0.650 nan 8.290 nan 0.000 0.560 52 L N 0.468 121.729 121.223 0.062 0.000 2.062 52 L HA 0.204 4.544 4.340 0.001 0.000 0.202 52 L C 2.200 179.106 176.870 0.060 0.000 1.079 52 L CA 1.800 56.669 54.840 0.049 0.000 0.755 52 L CB -0.324 41.758 42.059 0.038 0.000 0.913 52 L HN 0.751 nan 8.230 nan 0.000 0.445 53 D N -1.336 119.105 120.400 0.069 0.000 2.501 53 D HA 0.114 4.754 4.640 0.001 0.000 0.224 53 D C 0.539 176.908 176.300 0.113 0.000 1.202 53 D CA -0.204 53.843 54.000 0.078 0.000 0.829 53 D CB 0.369 41.204 40.800 0.059 0.000 1.023 53 D HN 0.127 nan 8.370 nan 0.000 0.499 54 R N -0.212 120.371 120.500 0.139 0.000 2.875 54 R HA 0.658 4.999 4.340 0.001 0.000 0.251 54 R C -0.973 175.507 176.300 0.300 0.000 1.123 54 R CA -0.956 55.251 56.100 0.179 0.000 1.064 54 R CB 1.509 31.871 30.300 0.103 0.000 1.205 54 R HN 0.176 nan 8.270 nan 0.000 0.503 55 Y N -1.967 118.396 120.300 0.105 0.000 2.609 55 Y HA 0.453 5.004 4.550 0.001 0.000 0.336 55 Y C -1.691 174.274 175.900 0.108 0.000 1.129 55 Y CA -1.092 57.104 58.100 0.161 0.000 1.040 55 Y CB 1.666 40.189 38.460 0.104 0.000 1.310 55 Y HN 0.405 nan 8.280 nan 0.000 0.460 56 Q N 1.913 121.756 119.800 0.073 0.000 2.397 56 Q HA 0.592 4.933 4.340 0.001 0.000 0.275 56 Q C -1.774 174.277 176.000 0.086 0.000 1.090 56 Q CA -1.011 54.678 55.803 -0.190 0.000 0.809 56 Q CB 3.051 31.512 28.738 -0.462 0.000 1.362 56 Q HN 0.921 nan 8.270 nan 0.000 0.431 57 c N 1.727 120.334 118.600 0.012 0.000 2.322 57 c HA 0.409 4.979 4.570 0.001 0.000 0.324 57 c C -0.890 173.252 174.090 0.087 0.000 1.284 57 c CA -0.344 56.064 56.329 0.132 0.000 1.606 57 c CB 0.417 43.028 42.510 0.168 0.000 2.251 57 c HN 0.801 nan 8.230 nan 0.000 0.502 58 D N 3.892 124.363 120.400 0.118 0.000 2.443 58 D HA 0.335 4.976 4.640 0.001 0.000 0.221 58 D C 0.361 176.716 176.300 0.092 0.000 1.097 58 D CA -0.345 53.712 54.000 0.095 0.000 0.865 58 D CB 0.385 41.252 40.800 0.112 0.000 1.034 58 D HN 0.681 nan 8.370 nan 0.000 0.511 59 C N 2.687 122.034 119.300 0.079 0.000 2.361 59 C HA 0.417 4.878 4.460 0.001 0.000 0.336 59 C C 0.580 175.613 174.990 0.071 0.000 1.406 59 C CA -0.927 58.145 59.018 0.089 0.000 1.763 59 C CB -1.789 26.015 27.740 0.107 0.000 2.761 59 C HN 0.431 nan 8.230 nan 0.000 0.566 60 T N 1.421 116.009 114.554 0.057 0.000 2.851 60 T HA 0.304 4.655 4.350 0.001 0.000 0.298 60 T C 0.955 175.674 174.700 0.033 0.000 0.977 60 T CA 0.050 62.173 62.100 0.039 0.000 1.126 60 T CB 0.335 69.221 68.868 0.031 0.000 0.916 60 T HN 0.681 nan 8.240 nan 0.000 0.529 61 R N 0.176 120.688 120.500 0.021 0.000 3.863 61 R HA -0.204 4.137 4.340 0.001 0.000 0.313 61 R C 1.353 177.664 176.300 0.018 0.000 1.202 61 R CA 1.077 57.182 56.100 0.008 0.000 0.852 61 R CB -1.770 28.526 30.300 -0.006 0.000 1.292 61 R HN 0.735 nan 8.270 nan 0.000 0.519 62 T N -2.066 112.518 114.554 0.049 0.000 3.081 62 T HA 0.237 4.588 4.350 0.001 0.000 0.250 62 T C 1.382 176.136 174.700 0.091 0.000 1.100 62 T CA 1.388 63.540 62.100 0.087 0.000 1.038 62 T CB 0.216 69.165 68.868 0.136 0.000 0.962 62 T HN 0.693 nan 8.240 nan 0.000 0.516 63 G N -0.042 108.764 108.800 0.010 0.000 2.176 63 G HA2 -0.223 3.737 3.960 0.001 0.000 0.253 63 G HA3 -0.223 3.737 3.960 0.001 0.000 0.253 63 G C -0.109 174.613 174.900 -0.297 0.000 0.979 63 G CA 0.305 45.327 45.100 -0.130 0.000 0.641 63 G HN 0.569 nan 8.290 nan 0.000 0.530 64 Y N 0.291 120.558 120.300 -0.055 0.000 2.549 64 Y HA 0.762 5.313 4.550 0.002 0.000 0.339 64 Y C 0.555 176.453 175.900 -0.004 0.000 1.053 64 Y CA -0.111 57.963 58.100 -0.044 0.000 1.105 64 Y CB 2.253 40.660 38.460 -0.087 0.000 1.258 64 Y HN 0.264 nan 8.280 nan 0.000 0.478 65 S N 0.291 116.098 115.700 0.178 0.000 2.667 65 S HA 0.886 5.356 4.470 0.001 0.000 0.292 65 S C -0.373 174.288 174.600 0.100 0.000 1.126 65 S CA 0.222 58.481 58.200 0.098 0.000 0.881 65 S CB 1.470 64.696 63.200 0.044 0.000 1.132 65 S HN 1.515 nan 8.310 nan 0.000 0.492 66 G N 1.985 110.819 108.800 0.055 0.000 2.498 66 G HA2 -0.042 3.919 3.960 0.001 0.000 0.651 66 G HA3 -0.042 3.919 3.960 0.001 0.000 0.651 66 G C -2.355 172.560 174.900 0.025 0.000 1.284 66 G CA -0.159 44.963 45.100 0.037 0.000 0.950 66 G HN 0.607 nan 8.290 nan 0.000 0.511 67 P HA 0.063 nan 4.420 nan 0.000 0.229 67 P C 0.763 178.083 177.300 0.032 0.000 1.160 67 P CA 1.135 64.221 63.100 -0.024 0.000 0.777 67 P CB 0.134 31.804 31.700 -0.050 0.000 0.814 68 N N -1.840 116.902 118.700 0.070 0.000 2.143 68 N HA 0.078 4.819 4.740 0.001 0.000 0.222 68 N C -0.370 175.198 175.510 0.098 0.000 1.264 68 N CA 0.017 53.131 53.050 0.107 0.000 0.897 68 N CB -0.004 38.542 38.487 0.098 0.000 1.092 68 N HN -0.037 nan 8.380 nan 0.000 0.516 69 C N 0.739 120.103 119.300 0.106 0.000 4.484 69 C HA -0.103 4.358 4.460 0.001 0.000 0.308 69 C C 1.595 176.640 174.990 0.092 0.000 1.291 69 C CA 0.883 59.983 59.018 0.136 0.000 2.078 69 C CB -2.964 24.858 27.740 0.137 0.000 1.257 69 C HN 0.600 nan 8.230 nan 0.000 0.736 70 T N -3.834 110.806 114.554 0.144 0.000 2.964 70 T HA 0.351 4.702 4.350 0.001 0.000 0.249 70 T C 0.320 175.203 174.700 0.305 0.000 1.000 70 T CA 0.100 62.291 62.100 0.151 0.000 0.992 70 T CB 0.246 69.171 68.868 0.095 0.000 1.087 70 T HN 0.584 nan 8.240 nan 0.000 0.489 71 I N 4.890 125.616 120.570 0.260 0.000 2.363 71 I HA 0.308 4.479 4.170 0.001 0.000 0.292 71 I C -2.355 173.874 176.117 0.188 0.000 1.075 71 I CA -2.399 59.013 61.300 0.188 0.000 1.333 71 I CB 0.751 38.800 38.000 0.081 0.000 1.415 71 I HN 0.065 nan 8.210 nan 0.000 0.502 72 P HA 0.243 nan 4.420 nan 0.000 0.281 72 P C -0.606 176.615 177.300 -0.131 0.000 1.249 72 P CA -0.486 62.492 63.100 -0.204 0.000 0.810 72 P CB 0.933 32.584 31.700 -0.082 0.000 1.008 73 E N 0.763 120.859 120.200 -0.173 0.000 2.342 73 E HA 0.133 4.484 4.350 0.001 0.000 0.257 73 E C 1.530 178.139 176.600 0.015 0.000 1.150 73 E CA -0.834 55.530 56.400 -0.060 0.000 0.926 73 E CB 0.384 30.066 29.700 -0.030 0.000 1.074 73 E HN 0.280 nan 8.360 nan 0.000 0.449 74 I N -0.006 120.574 120.570 0.016 0.000 2.113 74 I HA -0.315 3.856 4.170 0.001 0.000 0.242 74 I C 1.898 178.041 176.117 0.044 0.000 1.064 74 I CA 1.810 63.114 61.300 0.007 0.000 1.320 74 I CB -0.653 37.295 38.000 -0.086 0.000 1.028 74 I HN 0.731 nan 8.210 nan 0.000 0.406 75 W N 1.087 122.411 121.300 0.039 0.000 2.381 75 W HA -0.172 4.488 4.660 0.001 0.000 0.301 75 W C 2.812 179.328 176.519 -0.006 0.000 1.205 75 W CA 1.720 59.076 57.345 0.019 0.000 1.285 75 W CB -0.692 28.763 29.460 -0.010 0.000 1.133 75 W HN 0.056 nan 8.180 nan 0.000 0.521 76 T N -1.001 113.657 114.554 0.173 0.000 2.746 76 T HA -0.298 4.053 4.350 0.001 0.000 0.267 76 T C 1.131 175.856 174.700 0.041 0.000 1.039 76 T CA 1.492 63.594 62.100 0.002 0.000 1.142 76 T CB -0.923 67.762 68.868 -0.305 0.000 0.866 76 T HN 0.334 nan 8.240 nan 0.000 0.444 77 W N 1.441 122.679 121.300 -0.104 0.000 2.363 77 W HA 0.012 4.672 4.660 0.000 0.000 0.296 77 W C 1.849 178.339 176.519 -0.047 0.000 1.212 77 W CA 0.385 57.689 57.345 -0.069 0.000 1.260 77 W CB -0.543 28.869 29.460 -0.078 0.000 1.131 77 W HN 0.161 nan 8.180 nan 0.000 0.530 78 L N 1.094 122.275 121.223 -0.070 0.000 2.044 78 L HA -0.038 4.303 4.340 0.001 0.000 0.205 78 L C 2.816 179.594 176.870 -0.153 0.000 1.075 78 L CA 2.240 56.932 54.840 -0.248 0.000 0.747 78 L CB -1.004 40.944 42.059 -0.185 0.000 0.903 78 L HN -0.010 nan 8.230 nan 0.000 0.435 79 R N -1.530 118.976 120.500 0.010 0.000 2.096 79 R HA -0.185 4.155 4.340 0.001 0.000 0.235 79 R C 2.264 178.557 176.300 -0.010 0.000 1.127 79 R CA 1.875 58.006 56.100 0.051 0.000 0.968 79 R CB -0.470 29.901 30.300 0.119 0.000 0.861 79 R HN 0.409 nan 8.270 nan 0.000 0.440 80 T N -0.837 113.693 114.554 -0.040 0.000 2.951 80 T HA -0.067 4.284 4.350 0.001 0.000 0.268 80 T C 1.616 176.259 174.700 -0.094 0.000 1.073 80 T CA 1.691 63.775 62.100 -0.026 0.000 1.134 80 T CB -0.153 68.738 68.868 0.039 0.000 0.884 80 T HN 0.641 nan 8.240 nan 0.000 0.479 81 T N -0.505 113.921 114.554 -0.213 0.000 2.978 81 T HA 0.136 4.486 4.350 0.001 0.000 0.262 81 T C 1.711 176.307 174.700 -0.175 0.000 1.063 81 T CA 0.471 62.423 62.100 -0.246 0.000 1.140 81 T CB -0.351 68.250 68.868 -0.444 0.000 0.886 81 T HN 0.259 nan 8.240 nan 0.000 0.470 82 L N 0.397 121.533 121.223 -0.145 0.000 2.558 82 L HA 0.337 4.678 4.340 0.001 0.000 0.225 82 L C 1.412 178.258 176.870 -0.040 0.000 1.128 82 L CA 0.213 55.000 54.840 -0.088 0.000 0.868 82 L CB -0.234 41.787 42.059 -0.063 0.000 1.006 82 L HN 0.156 nan 8.230 nan 0.000 0.454 83 R N 2.049 122.532 120.500 -0.029 0.000 2.267 83 R HA 0.240 4.581 4.340 0.001 0.000 0.319 83 R C -2.235 174.065 176.300 0.001 0.000 1.067 83 R CA -1.489 54.618 56.100 0.012 0.000 0.936 83 R CB 0.629 30.949 30.300 0.033 0.000 1.006 83 R HN -0.062 nan 8.270 nan 0.000 0.452 84 P HA 0.069 nan 4.420 nan 0.000 0.276 84 P C -0.815 176.541 177.300 0.092 0.000 1.244 84 P CA -0.444 62.667 63.100 0.018 0.000 0.801 84 P CB 1.086 32.865 31.700 0.132 0.000 1.006 85 S N 1.256 117.003 115.700 0.079 0.000 2.562 85 S HA 0.137 4.608 4.470 0.001 0.000 0.281 85 S C -1.677 173.035 174.600 0.186 0.000 1.333 85 S CA -0.754 57.510 58.200 0.106 0.000 1.052 85 S CB -0.036 63.205 63.200 0.069 0.000 0.884 85 S HN 0.255 nan 8.310 nan 0.000 0.506 86 P HA -0.098 nan 4.420 nan 0.000 0.218 86 P C 1.238 178.663 177.300 0.207 0.000 1.146 86 P CA 1.248 64.448 63.100 0.166 0.000 0.820 86 P CB -0.092 31.679 31.700 0.119 0.000 0.778 87 S N -1.840 113.977 115.700 0.196 0.000 2.428 87 S HA -0.090 4.381 4.470 0.001 0.000 0.230 87 S C 1.519 176.303 174.600 0.307 0.000 1.014 87 S CA 0.555 58.891 58.200 0.226 0.000 0.957 87 S CB -0.945 62.350 63.200 0.158 0.000 0.784 87 S HN 0.165 nan 8.310 nan 0.000 0.499 88 F N 2.189 122.230 119.950 0.152 0.000 2.163 88 F HA 0.028 4.556 4.527 0.001 0.000 0.297 88 F C 1.595 177.547 175.800 0.253 0.000 1.094 88 F CA 0.943 59.045 58.000 0.170 0.000 1.290 88 F CB -0.273 38.785 39.000 0.096 0.000 1.017 88 F HN 0.063 nan 8.300 nan 0.000 0.483 89 I N -0.211 120.485 120.570 0.210 0.000 2.252 89 I HA -0.244 3.926 4.170 0.001 0.000 0.245 89 I C 2.359 178.523 176.117 0.077 0.000 1.102 89 I CA 1.608 62.964 61.300 0.093 0.000 1.385 89 I CB -0.971 37.125 38.000 0.160 0.000 1.064 89 I HN 0.166 nan 8.210 nan 0.000 0.414 90 H N 0.461 119.589 119.070 0.098 0.000 2.387 90 H HA -0.273 4.283 4.556 0.001 0.000 0.299 90 H C 2.034 177.456 175.328 0.158 0.000 1.099 90 H CA 1.800 57.927 56.048 0.133 0.000 1.315 90 H CB -0.264 29.610 29.762 0.188 0.000 1.380 90 H HN 0.318 nan 8.280 nan 0.000 0.513 91 F N 0.449 120.399 119.950 0.000 0.000 2.134 91 F HA -0.151 4.376 4.527 0.001 0.000 0.299 91 F C 1.940 177.732 175.800 -0.014 0.000 1.097 91 F CA 1.432 59.413 58.000 -0.032 0.000 1.264 91 F CB -0.479 38.442 39.000 -0.132 0.000 1.001 91 F HN 0.188 nan 8.300 nan 0.000 0.479 92 L N -0.225 120.868 121.223 -0.216 0.000 2.046 92 L HA -0.214 4.127 4.340 0.001 0.000 0.208 92 L C 2.400 179.365 176.870 0.158 0.000 1.077 92 L CA 1.166 55.918 54.840 -0.148 0.000 0.747 92 L CB -0.707 41.292 42.059 -0.100 0.000 0.896 92 L HN 0.200 nan 8.230 nan 0.000 0.432 93 L N -0.703 120.489 121.223 -0.052 0.000 2.291 93 L HA -0.092 4.249 4.340 0.001 0.000 0.214 93 L C 1.838 178.504 176.870 -0.340 0.000 1.120 93 L CA 1.265 55.870 54.840 -0.392 0.000 0.799 93 L CB -0.432 41.120 42.059 -0.844 0.000 0.925 93 L HN 0.401 nan 8.230 nan 0.000 0.446 94 T N -5.064 109.380 114.554 -0.183 0.000 3.228 94 T HA 0.270 4.621 4.350 0.001 0.000 0.278 94 T C 0.016 174.671 174.700 -0.076 0.000 1.014 94 T CA -0.401 61.588 62.100 -0.186 0.000 0.904 94 T CB -0.131 68.494 68.868 -0.405 0.000 1.110 94 T HN 0.134 nan 8.240 nan 0.000 0.541 95 H N -0.226 118.864 119.070 0.033 0.000 2.980 95 H HA 0.592 5.149 4.556 0.001 0.000 0.367 95 H C 0.403 175.617 175.328 -0.190 0.000 1.206 95 H CA -0.098 55.846 56.048 -0.174 0.000 1.126 95 H CB 1.566 30.951 29.762 -0.628 0.000 1.838 95 H HN 0.360 nan 8.280 nan 0.000 0.552 96 G N 0.206 108.875 108.800 -0.219 0.000 2.540 96 G HA2 -0.158 3.802 3.960 0.001 0.000 0.260 96 G HA3 -0.158 3.802 3.960 0.001 0.000 0.260 96 G C 1.018 175.716 174.900 -0.336 0.000 0.993 96 G CA 0.779 45.726 45.100 -0.255 0.000 1.327 96 G HN 0.934 nan 8.290 nan 0.000 0.485 97 R N 1.244 121.337 120.500 -0.679 0.000 2.120 97 R HA -0.080 4.261 4.340 0.001 0.000 0.234 97 R C 2.159 178.349 176.300 -0.184 0.000 1.123 97 R CA 2.292 58.006 56.100 -0.644 0.000 0.975 97 R CB -0.848 29.027 30.300 -0.709 0.000 0.866 97 R HN 0.803 nan 8.270 nan 0.000 0.446 98 W N 0.005 121.219 121.300 -0.143 0.000 2.335 98 W HA -0.091 4.570 4.660 0.001 0.000 0.311 98 W C 1.989 178.455 176.519 -0.090 0.000 1.213 98 W CA 1.099 58.388 57.345 -0.092 0.000 1.274 98 W CB -1.292 28.107 29.460 -0.101 0.000 1.148 98 W HN 0.348 nan 8.180 nan 0.000 0.498 99 L N -0.981 120.272 121.223 0.049 0.000 2.093 99 L HA -0.123 4.217 4.340 0.001 0.000 0.208 99 L C 1.971 178.733 176.870 -0.180 0.000 1.085 99 L CA 1.891 56.632 54.840 -0.166 0.000 0.755 99 L CB -0.909 40.908 42.059 -0.404 0.000 0.904 99 L HN -0.074 nan 8.230 nan 0.000 0.435 100 W N -0.608 120.695 121.300 0.005 0.000 2.678 100 W HA -0.041 4.620 4.660 0.002 0.000 0.256 100 W C 2.020 178.568 176.519 0.049 0.000 1.280 100 W CA 0.213 57.568 57.345 0.017 0.000 1.345 100 W CB -0.117 29.341 29.460 -0.002 0.000 1.118 100 W HN 0.133 nan 8.180 nan 0.000 0.629 101 D N -0.373 120.175 120.400 0.246 0.000 2.178 101 D HA -0.168 4.473 4.640 0.001 0.000 0.202 101 D C 1.698 178.102 176.300 0.174 0.000 0.974 101 D CA 1.040 55.156 54.000 0.193 0.000 0.841 101 D CB -0.610 40.301 40.800 0.186 0.000 0.953 101 D HN 0.117 nan 8.370 nan 0.000 0.478 102 F N 0.780 120.746 119.950 0.026 0.000 2.206 102 F HA -0.109 4.419 4.527 0.001 0.000 0.298 102 F C 2.084 177.862 175.800 -0.038 0.000 1.090 102 F CA 0.732 58.720 58.000 -0.021 0.000 1.323 102 F CB 0.023 38.984 39.000 -0.064 0.000 1.028 102 F HN -0.233 nan 8.300 nan 0.000 0.492 103 V N 0.617 120.580 119.914 0.082 0.000 2.379 103 V HA -0.265 3.855 4.120 0.001 0.000 0.245 103 V C 2.005 178.100 176.094 0.002 0.000 1.044 103 V CA 1.941 64.244 62.300 0.005 0.000 1.036 103 V CB -0.714 31.159 31.823 0.084 0.000 0.664 103 V HN 0.324 nan 8.190 nan 0.000 0.453 104 N N 0.652 119.406 118.700 0.091 0.000 2.381 104 N HA -0.044 4.697 4.740 0.001 0.000 0.182 104 N C 1.549 177.059 175.510 0.001 0.000 1.025 104 N CA 1.386 54.480 53.050 0.073 0.000 0.888 104 N CB -0.224 38.333 38.487 0.117 0.000 0.965 104 N HN 0.502 nan 8.380 nan 0.000 0.438 105 A N -0.026 122.757 122.820 -0.061 0.000 2.275 105 A HA 0.125 4.446 4.320 0.001 0.000 0.212 105 A C 1.022 178.514 177.584 -0.153 0.000 1.201 105 A CA 0.303 52.284 52.037 -0.093 0.000 0.843 105 A CB -0.156 18.785 19.000 -0.098 0.000 0.873 105 A HN 0.345 nan 8.150 nan 0.000 0.492 106 T N -4.464 109.965 114.554 -0.208 0.000 2.807 106 T HA 0.479 4.830 4.350 0.001 0.000 0.277 106 T C 0.729 175.365 174.700 -0.108 0.000 1.006 106 T CA -0.043 61.927 62.100 -0.216 0.000 1.006 106 T CB 0.416 68.998 68.868 -0.476 0.000 1.274 106 T HN 0.512 nan 8.240 nan 0.000 0.569 107 F N 0.173 120.084 119.950 -0.065 0.000 2.604 107 F HA 0.207 4.735 4.527 0.001 0.000 0.298 107 F C 1.656 177.454 175.800 -0.003 0.000 1.131 107 F CA 0.056 58.041 58.000 -0.026 0.000 1.457 107 F CB -0.925 38.064 39.000 -0.018 0.000 1.095 107 F HN 0.236 nan 8.300 nan 0.000 0.574 108 I N 1.228 121.404 120.570 -0.657 0.000 2.423 108 I HA -0.255 3.916 4.170 0.001 0.000 0.254 108 I C 2.625 178.689 176.117 -0.089 0.000 1.151 108 I CA 1.276 62.335 61.300 -0.401 0.000 1.421 108 I CB -1.359 36.412 38.000 -0.382 0.000 1.079 108 I HN 0.354 nan 8.210 nan 0.000 0.431 109 R N 1.106 121.581 120.500 -0.042 0.000 2.091 109 R HA -0.191 4.149 4.340 0.001 0.000 0.238 109 R C 1.750 178.084 176.300 0.056 0.000 1.136 109 R CA 1.887 58.014 56.100 0.044 0.000 0.959 109 R CB 0.018 30.342 30.300 0.041 0.000 0.856 109 R HN 0.387 nan 8.270 nan 0.000 0.437 110 D N -0.796 119.643 120.400 0.065 0.000 2.120 110 D HA -0.073 4.568 4.640 0.001 0.000 0.202 110 D C 1.802 178.151 176.300 0.083 0.000 0.972 110 D CA 1.567 55.611 54.000 0.073 0.000 0.837 110 D CB -0.487 40.369 40.800 0.093 0.000 0.989 110 D HN 0.232 nan 8.370 nan 0.000 0.469 111 T N 1.849 116.473 114.554 0.117 0.000 2.720 111 T HA -0.110 4.241 4.350 0.001 0.000 0.268 111 T C 2.292 177.042 174.700 0.083 0.000 1.037 111 T CA 0.786 62.956 62.100 0.117 0.000 1.144 111 T CB -0.312 68.646 68.868 0.150 0.000 0.864 111 T HN 0.106 nan 8.240 nan 0.000 0.444 112 L N -0.161 121.108 121.223 0.076 0.000 2.072 112 L HA 0.016 4.357 4.340 0.001 0.000 0.205 112 L C 2.789 179.705 176.870 0.077 0.000 1.079 112 L CA 0.728 55.620 54.840 0.086 0.000 0.752 112 L CB -0.472 41.661 42.059 0.123 0.000 0.906 112 L HN 0.202 nan 8.230 nan 0.000 0.436 113 M N 0.059 119.701 119.600 0.070 0.000 2.159 113 M HA -0.216 4.264 4.480 0.001 0.000 0.263 113 M C 2.387 178.715 176.300 0.047 0.000 1.063 113 M CA 1.681 57.017 55.300 0.061 0.000 1.110 113 M CB -0.898 31.733 32.600 0.051 0.000 1.374 113 M HN 0.155 nan 8.290 nan 0.000 0.411 114 R N -0.429 120.093 120.500 0.038 0.000 2.081 114 R HA -0.186 4.155 4.340 0.001 0.000 0.235 114 R C 2.156 178.483 176.300 0.045 0.000 1.131 114 R CA 1.479 57.594 56.100 0.026 0.000 0.960 114 R CB -0.417 29.900 30.300 0.029 0.000 0.856 114 R HN 0.307 nan 8.270 nan 0.000 0.436 115 L N 0.361 121.619 121.223 0.059 0.000 2.093 115 L HA -0.118 4.223 4.340 0.001 0.000 0.208 115 L C 2.116 179.030 176.870 0.075 0.000 1.085 115 L CA 1.303 56.183 54.840 0.066 0.000 0.755 115 L CB -0.185 41.916 42.059 0.070 0.000 0.904 115 L HN 0.028 nan 8.230 nan 0.000 0.435 116 V N -0.845 119.116 119.914 0.078 0.000 2.332 116 V HA -0.294 3.827 4.120 0.001 0.000 0.248 116 V C 2.428 178.584 176.094 0.103 0.000 1.055 116 V CA 1.475 63.832 62.300 0.095 0.000 1.038 116 V CB -0.596 31.289 31.823 0.103 0.000 0.651 116 V HN 0.306 nan 8.190 nan 0.000 0.450 117 L N -0.225 121.048 121.223 0.084 0.000 2.005 117 L HA -0.109 4.232 4.340 0.001 0.000 0.207 117 L C 2.618 179.562 176.870 0.123 0.000 1.072 117 L CA 2.299 57.190 54.840 0.084 0.000 0.744 117 L CB -1.595 40.468 42.059 0.008 0.000 0.895 117 L HN 0.329 nan 8.230 nan 0.000 0.433 118 T N -1.336 113.280 114.554 0.103 0.000 2.643 118 T HA -0.174 4.177 4.350 0.001 0.000 0.264 118 T C 1.944 176.704 174.700 0.100 0.000 1.045 118 T CA 1.644 63.817 62.100 0.122 0.000 1.155 118 T CB -0.469 68.450 68.868 0.086 0.000 0.863 118 T HN 0.131 nan 8.240 nan 0.000 0.420 119 V N 1.400 121.363 119.914 0.080 0.000 2.809 119 V HA -0.052 4.068 4.120 0.001 0.000 0.256 119 V C 2.493 178.626 176.094 0.066 0.000 1.080 119 V CA 1.308 63.646 62.300 0.064 0.000 1.102 119 V CB -0.443 31.419 31.823 0.065 0.000 0.705 119 V HN 0.284 nan 8.190 nan 0.000 0.475 120 R N -0.172 120.381 120.500 0.088 0.000 2.075 120 R HA 0.015 4.356 4.340 0.001 0.000 0.226 120 R C 2.402 178.735 176.300 0.054 0.000 1.114 120 R CA 1.562 57.716 56.100 0.090 0.000 0.972 120 R CB -0.872 29.500 30.300 0.120 0.000 0.869 120 R HN 0.523 nan 8.270 nan 0.000 0.437 121 S N 1.470 117.217 115.700 0.079 0.000 2.428 121 S HA -0.091 4.379 4.470 0.001 0.000 0.230 121 S C 1.579 176.142 174.600 -0.062 0.000 1.014 121 S CA 0.861 59.084 58.200 0.039 0.000 0.957 121 S CB -0.250 63.067 63.200 0.196 0.000 0.784 121 S HN 0.306 nan 8.310 nan 0.000 0.499 122 N N 1.423 120.102 118.700 -0.036 0.000 2.348 122 N HA -0.035 4.706 4.740 0.001 0.000 0.185 122 N C 1.056 176.501 175.510 -0.109 0.000 1.019 122 N CA 0.620 53.627 53.050 -0.073 0.000 0.880 122 N CB -0.379 38.088 38.487 -0.033 0.000 0.965 122 N HN 0.190 nan 8.380 nan 0.000 0.437 123 L N 0.025 121.174 121.223 -0.122 0.000 2.610 123 L HA 0.235 4.576 4.340 0.001 0.000 0.232 123 L C -0.007 176.689 176.870 -0.290 0.000 1.149 123 L CA 0.518 55.231 54.840 -0.213 0.000 0.872 123 L CB -0.179 41.743 42.059 -0.228 0.000 0.992 123 L HN 0.156 nan 8.230 nan 0.000 0.447 124 I N -0.027 120.411 120.570 -0.221 0.000 2.406 124 I HA 0.296 4.467 4.170 0.001 0.000 0.290 124 I C -2.080 173.935 176.117 -0.169 0.000 0.999 124 I CA -1.984 59.193 61.300 -0.205 0.000 1.124 124 I CB 1.754 39.647 38.000 -0.178 0.000 1.289 124 I HN -0.148 nan 8.210 nan 0.000 0.441 125 P HA 0.118 nan 4.420 nan 0.000 0.271 125 P C -0.858 176.359 177.300 -0.138 0.000 1.226 125 P CA -0.071 62.939 63.100 -0.150 0.000 0.765 125 P CB 0.728 32.324 31.700 -0.174 0.000 0.835 126 S N 3.116 118.728 115.700 -0.147 0.000 2.689 126 S HA 0.476 4.947 4.470 0.001 0.000 0.274 126 S C -2.731 171.797 174.600 -0.119 0.000 1.176 126 S CA -1.284 56.833 58.200 -0.138 0.000 1.014 126 S CB 0.200 63.278 63.200 -0.203 0.000 1.071 126 S HN 0.136 nan 8.310 nan 0.000 0.478 127 P HA 0.229 nan 4.420 nan 0.000 0.267 127 P C -2.564 174.709 177.300 -0.045 0.000 1.201 127 P CA -0.601 62.496 63.100 -0.005 0.000 0.775 127 P CB -0.251 31.455 31.700 0.010 0.000 0.854 128 P HA 0.031 nan 4.420 nan 0.000 0.271 128 P C 0.586 177.802 177.300 -0.141 0.000 1.233 128 P CA -0.007 63.041 63.100 -0.087 0.000 0.789 128 P CB 0.373 32.021 31.700 -0.087 0.000 0.951 129 T N -2.230 112.170 114.554 -0.257 0.000 3.480 129 T HA 0.169 4.520 4.350 0.001 0.000 0.229 129 T C 0.187 174.646 174.700 -0.402 0.000 0.944 129 T CA 0.485 62.288 62.100 -0.494 0.000 1.388 129 T CB -0.589 67.677 68.868 -1.003 0.000 1.180 129 T HN 0.213 nan 8.240 nan 0.000 0.414 130 Y N 3.044 123.319 120.300 -0.042 0.000 2.568 130 Y HA 0.725 5.276 4.550 0.001 0.000 0.327 130 Y C 0.379 176.223 175.900 -0.093 0.000 1.163 130 Y CA -1.672 56.381 58.100 -0.079 0.000 1.219 130 Y CB 0.745 39.172 38.460 -0.056 0.000 1.308 130 Y HN 0.616 nan 8.280 nan 0.000 0.503 131 N N -1.398 117.319 118.700 0.027 0.000 3.316 131 N HA 0.246 4.987 4.740 0.001 0.000 0.300 131 N C -0.163 175.294 175.510 -0.089 0.000 1.567 131 N CA -0.706 52.300 53.050 -0.073 0.000 0.821 131 N CB 0.429 38.719 38.487 -0.329 0.000 1.748 131 N HN 0.548 nan 8.380 nan 0.000 0.603 132 I N -0.741 119.792 120.570 -0.062 0.000 2.614 132 I HA -0.030 4.141 4.170 0.001 0.000 0.258 132 I C 1.331 177.391 176.117 -0.095 0.000 1.189 132 I CA 1.402 62.675 61.300 -0.045 0.000 1.462 132 I CB -1.038 36.940 38.000 -0.037 0.000 1.092 132 I HN 0.762 nan 8.210 nan 0.000 0.442 133 A N -1.220 121.457 122.820 -0.238 0.000 2.140 133 A HA 0.076 4.397 4.320 0.001 0.000 0.209 133 A C 0.179 177.331 177.584 -0.722 0.000 1.181 133 A CA 0.128 51.917 52.037 -0.414 0.000 0.824 133 A CB -0.166 18.578 19.000 -0.427 0.000 0.879 133 A HN 0.536 nan 8.150 nan 0.000 0.480 134 H N -0.400 118.455 119.070 -0.359 0.000 2.906 134 H HA 0.326 4.883 4.556 0.001 0.000 0.324 134 H C -1.026 173.988 175.328 -0.524 0.000 0.973 134 H CA -0.742 54.901 56.048 -0.675 0.000 1.321 134 H CB 1.359 30.613 29.762 -0.846 0.000 1.535 134 H HN 0.059 nan 8.280 nan 0.000 0.518 135 D N 2.511 122.688 120.400 -0.371 0.000 2.325 135 D HA 0.004 4.644 4.640 0.001 0.000 0.234 135 D C -0.274 175.861 176.300 -0.275 0.000 1.122 135 D CA 0.586 54.407 54.000 -0.297 0.000 0.850 135 D CB 0.132 40.848 40.800 -0.141 0.000 0.921 135 D HN 0.525 nan 8.370 nan 0.000 0.513 136 Y N -2.331 118.017 120.300 0.080 0.000 2.705 136 Y HA 0.543 5.093 4.550 0.001 0.000 0.332 136 Y C -0.309 175.807 175.900 0.359 0.000 1.157 136 Y CA -1.587 56.647 58.100 0.224 0.000 1.091 136 Y CB 0.492 39.013 38.460 0.102 0.000 1.301 136 Y HN -0.366 nan 8.280 nan 0.000 0.488 137 I N 2.679 123.517 120.570 0.448 0.000 2.441 137 I HA 0.479 4.649 4.170 0.001 0.000 0.287 137 I C -0.084 176.159 176.117 0.210 0.000 1.049 137 I CA 0.072 61.493 61.300 0.201 0.000 1.381 137 I CB 1.078 39.143 38.000 0.109 0.000 1.409 137 I HN 0.755 nan 8.210 nan 0.000 0.523 138 S N 5.316 121.052 115.700 0.059 0.000 2.579 138 S HA 0.240 4.710 4.470 0.001 0.000 0.272 138 S C 0.178 174.817 174.600 0.065 0.000 1.141 138 S CA -0.928 57.298 58.200 0.044 0.000 0.843 138 S CB 1.348 64.448 63.200 -0.166 0.000 1.122 138 S HN 0.844 nan 8.310 nan 0.000 0.468 139 W N 1.431 122.720 121.300 -0.018 0.000 2.381 139 W HA -0.105 4.555 4.660 0.001 0.000 0.301 139 W C 1.590 178.159 176.519 0.084 0.000 1.205 139 W CA 2.310 59.690 57.345 0.058 0.000 1.285 139 W CB -0.268 29.223 29.460 0.051 0.000 1.133 139 W HN 1.044 nan 8.180 nan 0.000 0.521 140 E N 0.583 120.832 120.200 0.080 0.000 2.085 140 E HA -0.242 4.108 4.350 0.001 0.000 0.194 140 E C 2.269 178.810 176.600 -0.099 0.000 0.994 140 E CA 2.257 58.666 56.400 0.016 0.000 0.801 140 E CB -0.748 28.993 29.700 0.068 0.000 0.743 140 E HN 0.047 nan 8.360 nan 0.000 0.453 141 S N -1.467 114.115 115.700 -0.196 0.000 2.399 141 S HA -0.127 4.343 4.470 0.001 0.000 0.231 141 S C 1.675 176.181 174.600 -0.158 0.000 1.022 141 S CA 1.109 59.189 58.200 -0.200 0.000 0.983 141 S CB -0.517 62.571 63.200 -0.187 0.000 0.803 141 S HN 0.481 nan 8.310 nan 0.000 0.480 142 F N 1.035 120.768 119.950 -0.361 0.000 2.335 142 F HA 0.225 4.753 4.527 0.001 0.000 0.296 142 F C 2.491 177.988 175.800 -0.505 0.000 1.091 142 F CA 1.377 59.100 58.000 -0.461 0.000 1.399 142 F CB -0.587 38.039 39.000 -0.624 0.000 1.067 142 F HN 0.269 nan 8.300 nan 0.000 0.520 143 S N -0.065 115.279 115.700 -0.594 0.000 2.387 143 S HA -0.003 4.468 4.470 0.001 0.000 0.221 143 S C 0.841 175.300 174.600 -0.236 0.000 1.041 143 S CA -0.054 57.833 58.200 -0.521 0.000 0.959 143 S CB -0.610 62.361 63.200 -0.381 0.000 0.843 143 S HN 0.300 nan 8.310 nan 0.000 0.488 144 N N 2.193 120.859 118.700 -0.055 0.000 2.406 144 N HA 0.045 4.786 4.740 0.001 0.000 0.265 144 N C 0.787 176.349 175.510 0.086 0.000 1.203 144 N CA 0.129 53.241 53.050 0.103 0.000 0.945 144 N CB 1.253 39.945 38.487 0.341 0.000 1.165 144 N HN 0.160 nan 8.380 nan 0.000 0.485 145 V N 2.101 122.024 119.914 0.015 0.000 3.041 145 V HA -0.085 4.036 4.120 0.001 0.000 0.260 145 V C 1.932 178.105 176.094 0.132 0.000 1.105 145 V CA 0.851 63.165 62.300 0.023 0.000 1.125 145 V CB -0.527 31.306 31.823 0.016 0.000 0.730 145 V HN 0.522 nan 8.190 nan 0.000 0.479 146 S N -1.604 114.139 115.700 0.071 0.000 2.447 146 S HA -0.009 4.461 4.470 0.001 0.000 0.233 146 S C 0.583 175.155 174.600 -0.048 0.000 1.006 146 S CA 0.625 58.832 58.200 0.011 0.000 0.957 146 S CB -0.354 62.849 63.200 0.004 0.000 0.773 146 S HN 0.573 nan 8.310 nan 0.000 0.507 147 Y N 0.920 121.209 120.300 -0.018 0.000 2.359 147 Y HA 0.236 4.786 4.550 0.001 0.000 0.330 147 Y C 0.390 176.230 175.900 -0.099 0.000 1.143 147 Y CA -0.776 57.217 58.100 -0.178 0.000 1.318 147 Y CB 0.121 38.496 38.460 -0.141 0.000 1.234 147 Y HN 0.073 nan 8.280 nan 0.000 0.522 148 Y N 1.063 121.424 120.300 0.102 0.000 2.379 148 Y HA 0.154 4.704 4.550 0.001 0.000 0.337 148 Y C 0.969 176.919 175.900 0.083 0.000 1.238 148 Y CA -0.910 57.262 58.100 0.119 0.000 1.405 148 Y CB 0.489 38.991 38.460 0.069 0.000 1.310 148 Y HN 0.568 nan 8.280 nan 0.000 0.569 149 T N 1.094 115.809 114.554 0.269 0.000 2.881 149 T HA 0.692 5.042 4.350 0.001 0.000 0.278 149 T C -0.306 174.488 174.700 0.157 0.000 0.982 149 T CA -1.153 61.035 62.100 0.147 0.000 0.989 149 T CB 1.148 70.071 68.868 0.092 0.000 1.058 149 T HN 0.492 nan 8.240 nan 0.000 0.529 150 R N 0.496 121.092 120.500 0.160 0.000 2.621 150 R HA 0.512 4.853 4.340 0.001 0.000 0.292 150 R C 0.709 177.155 176.300 0.244 0.000 0.969 150 R CA -0.779 55.450 56.100 0.215 0.000 0.887 150 R CB 1.881 32.319 30.300 0.229 0.000 1.180 150 R HN 0.590 nan 8.270 nan 0.000 0.450 151 I N 1.414 122.148 120.570 0.274 0.000 2.429 151 I HA -0.006 4.165 4.170 0.001 0.000 0.247 151 I C 0.451 176.662 176.117 0.157 0.000 1.099 151 I CA 0.758 62.176 61.300 0.196 0.000 1.422 151 I CB 0.264 38.412 38.000 0.245 0.000 1.112 151 I HN 0.280 nan 8.210 nan 0.000 0.430 152 L N 2.589 123.840 121.223 0.046 0.000 2.325 152 L HA 0.382 4.723 4.340 0.001 0.000 0.279 152 L C -2.093 174.778 176.870 0.002 0.000 1.054 152 L CA -1.919 52.873 54.840 -0.079 0.000 0.804 152 L CB 0.365 42.144 42.059 -0.466 0.000 1.200 152 L HN -0.143 nan 8.230 nan 0.000 0.436 153 P HA 0.087 nan 4.420 nan 0.000 0.272 153 P C -0.337 176.915 177.300 -0.080 0.000 1.240 153 P CA -0.373 62.573 63.100 -0.257 0.000 0.791 153 P CB 0.520 31.966 31.700 -0.424 0.000 0.978 154 S N -0.020 115.647 115.700 -0.056 0.000 2.593 154 S HA 0.141 4.612 4.470 0.001 0.000 0.269 154 S C 0.337 174.966 174.600 0.048 0.000 1.334 154 S CA -0.747 57.462 58.200 0.014 0.000 1.015 154 S CB -0.142 63.062 63.200 0.007 0.000 0.912 154 S HN 0.249 nan 8.310 nan 0.000 0.541 155 V N 4.012 123.982 119.914 0.093 0.000 2.450 155 V HA 0.184 4.305 4.120 0.001 0.000 0.281 155 V C -1.930 174.192 176.094 0.046 0.000 1.019 155 V CA -1.194 61.175 62.300 0.114 0.000 1.062 155 V CB -0.487 31.421 31.823 0.142 0.000 0.979 155 V HN 0.768 nan 8.190 nan 0.000 0.477 156 P HA 0.103 nan 4.420 nan 0.000 0.266 156 P C 0.976 178.274 177.300 -0.003 0.000 1.193 156 P CA 0.321 63.417 63.100 -0.006 0.000 0.770 156 P CB 0.474 32.154 31.700 -0.034 0.000 0.836 157 R N 2.898 123.401 120.500 0.005 0.000 2.152 157 R HA -0.133 4.208 4.340 0.001 0.000 0.232 157 R C 0.946 177.246 176.300 0.000 0.000 1.117 157 R CA 2.102 58.208 56.100 0.009 0.000 0.981 157 R CB -1.538 28.771 30.300 0.015 0.000 0.870 157 R HN 0.743 nan 8.270 nan 0.000 0.451 158 D N -1.084 119.311 120.400 -0.008 0.000 2.561 158 D HA 0.127 4.768 4.640 0.001 0.000 0.232 158 D C -0.491 175.789 176.300 -0.035 0.000 1.198 158 D CA -0.494 53.498 54.000 -0.014 0.000 0.826 158 D CB -1.293 39.504 40.800 -0.006 0.000 0.992 158 D HN 0.361 nan 8.370 nan 0.000 0.490 159 c N 0.899 119.470 118.600 -0.048 0.000 2.398 159 c HA 0.305 4.876 4.570 0.001 0.000 0.364 159 c C -0.578 173.473 174.090 -0.065 0.000 1.219 159 c CA -1.037 55.240 56.329 -0.087 0.000 2.312 159 c CB 1.498 43.941 42.510 -0.113 0.000 2.428 159 c HN 0.198 nan 8.230 nan 0.000 0.564 160 P HA -0.069 nan 4.420 nan 0.000 0.213 160 P C 0.670 177.952 177.300 -0.031 0.000 1.170 160 P CA 1.446 64.513 63.100 -0.054 0.000 0.898 160 P CB -0.169 31.487 31.700 -0.074 0.000 0.787 161 T N -5.183 109.351 114.554 -0.034 0.000 2.934 161 T HA 0.348 4.699 4.350 0.001 0.000 0.283 161 T C -2.116 172.597 174.700 0.022 0.000 1.005 161 T CA -2.117 59.986 62.100 0.005 0.000 1.041 161 T CB 1.262 70.144 68.868 0.023 0.000 1.042 161 T HN -0.167 nan 8.240 nan 0.000 0.505 162 P HA 0.075 nan 4.420 nan 0.000 0.223 162 P C 1.108 178.467 177.300 0.098 0.000 1.151 162 P CA 0.719 63.858 63.100 0.065 0.000 0.787 162 P CB 0.050 31.793 31.700 0.072 0.000 0.788 163 M N -1.832 117.840 119.600 0.120 0.000 2.431 163 M HA 0.303 4.784 4.480 0.001 0.000 0.237 163 M C 1.233 177.654 176.300 0.201 0.000 1.130 163 M CA 0.393 55.794 55.300 0.169 0.000 1.002 163 M CB -0.499 32.214 32.600 0.188 0.000 1.524 163 M HN 0.079 nan 8.290 nan 0.000 0.482 164 G N 0.384 109.242 108.800 0.096 0.000 2.539 164 G HA2 -0.254 3.707 3.960 0.001 0.000 0.230 164 G HA3 -0.254 3.707 3.960 0.001 0.000 0.230 164 G C 0.638 175.439 174.900 -0.166 0.000 1.758 164 G CA 0.410 45.490 45.100 -0.033 0.000 1.433 164 G HN 0.225 nan 8.290 nan 0.000 0.494 165 T N 0.733 115.178 114.554 -0.181 0.000 3.038 165 T HA 0.384 4.734 4.350 0.001 0.000 0.244 165 T C 0.950 175.594 174.700 -0.093 0.000 1.016 165 T CA 1.602 63.533 62.100 -0.282 0.000 1.098 165 T CB -0.110 68.423 68.868 -0.558 0.000 0.954 165 T HN 0.434 nan 8.240 nan 0.000 0.469 166 K N 0.446 120.851 120.400 0.008 0.000 2.168 166 K HA 0.621 4.941 4.320 0.001 0.000 0.239 166 K C 0.325 176.979 176.600 0.091 0.000 0.999 166 K CA -0.235 56.087 56.287 0.058 0.000 0.900 166 K CB 1.478 34.029 32.500 0.085 0.000 1.111 166 K HN 0.422 nan 8.250 nan 0.000 0.452 167 G N -0.788 108.077 108.800 0.109 0.000 2.610 167 G HA2 -0.022 3.939 3.960 0.001 0.000 0.304 167 G HA3 -0.022 3.939 3.960 0.001 0.000 0.304 167 G C -0.733 174.225 174.900 0.097 0.000 1.309 167 G CA -0.329 44.855 45.100 0.140 0.000 0.906 167 G HN 0.707 nan 8.290 nan 0.000 0.521 168 K N -0.723 119.733 120.400 0.093 0.000 2.098 168 K HA 0.908 5.229 4.320 0.001 0.000 0.244 168 K C 1.816 178.442 176.600 0.042 0.000 1.014 168 K CA 1.287 57.607 56.287 0.054 0.000 0.917 168 K CB -0.106 32.414 32.500 0.034 0.000 1.072 168 K HN 2.135 nan 8.250 nan 0.000 0.477 169 K N -0.117 120.298 120.400 0.025 0.000 2.148 169 K HA 0.195 4.515 4.320 0.001 0.000 0.204 169 K C 1.484 178.095 176.600 0.018 0.000 1.050 169 K CA 2.263 58.561 56.287 0.019 0.000 0.942 169 K CB -0.771 31.736 32.500 0.011 0.000 0.724 169 K HN 1.322 nan 8.250 nan 0.000 0.446 170 Q N 0.129 119.935 119.800 0.010 0.000 2.330 170 Q HA 0.698 5.039 4.340 0.001 0.000 0.269 170 Q C -0.152 175.844 176.000 -0.007 0.000 1.022 170 Q CA -0.749 55.055 55.803 0.003 0.000 0.796 170 Q CB 0.832 29.564 28.738 -0.010 0.000 1.271 170 Q HN 0.479 nan 8.270 nan 0.000 0.450 171 L N 2.677 123.901 121.223 0.002 0.000 2.483 171 L HA 0.312 4.652 4.340 0.001 0.000 0.275 171 L C -1.724 175.091 176.870 -0.091 0.000 1.220 171 L CA -1.417 53.408 54.840 -0.024 0.000 0.833 171 L CB 0.771 42.851 42.059 0.035 0.000 1.102 171 L HN 0.589 nan 8.230 nan 0.000 0.490 172 P HA -0.008 nan 4.420 nan 0.000 0.269 172 P C -1.016 176.242 177.300 -0.071 0.000 1.209 172 P CA -0.340 62.638 63.100 -0.204 0.000 0.776 172 P CB 0.329 31.772 31.700 -0.428 0.000 0.876 173 D N 1.114 121.506 120.400 -0.013 0.000 2.472 173 D HA 0.092 4.732 4.640 0.001 0.000 0.248 173 D C 1.182 177.543 176.300 0.101 0.000 1.174 173 D CA 0.347 54.373 54.000 0.044 0.000 0.883 173 D CB 0.639 41.469 40.800 0.049 0.000 1.149 173 D HN 0.313 nan 8.370 nan 0.000 0.488 174 A N 4.602 127.468 122.820 0.078 0.000 1.902 174 A HA -0.176 4.145 4.320 0.001 0.000 0.217 174 A C 1.972 179.614 177.584 0.098 0.000 1.181 174 A CA 1.019 53.108 52.037 0.086 0.000 0.623 174 A CB -0.404 18.632 19.000 0.061 0.000 0.818 174 A HN 0.683 nan 8.150 nan 0.000 0.443 175 E N -1.086 119.172 120.200 0.097 0.000 2.106 175 E HA -0.151 4.200 4.350 0.001 0.000 0.192 175 E C 1.725 178.393 176.600 0.113 0.000 0.984 175 E CA 0.986 57.441 56.400 0.092 0.000 0.806 175 E CB -0.272 29.480 29.700 0.085 0.000 0.750 175 E HN 0.606 nan 8.360 nan 0.000 0.458 176 F N 0.852 120.801 119.950 -0.001 0.000 2.206 176 F HA -0.069 4.459 4.527 0.001 0.000 0.298 176 F C 2.209 178.007 175.800 -0.003 0.000 1.090 176 F CA 0.741 58.729 58.000 -0.020 0.000 1.323 176 F CB -0.191 38.792 39.000 -0.029 0.000 1.028 176 F HN -0.054 nan 8.300 nan 0.000 0.492 177 L N -0.927 120.381 121.223 0.141 0.000 2.042 177 L HA -0.269 4.072 4.340 0.001 0.000 0.210 177 L C 2.729 179.653 176.870 0.089 0.000 1.076 177 L CA 1.711 56.661 54.840 0.185 0.000 0.749 177 L CB -0.883 41.309 42.059 0.222 0.000 0.893 177 L HN 0.138 nan 8.230 nan 0.000 0.432 178 S N -0.774 114.950 115.700 0.039 0.000 2.402 178 S HA -0.108 4.362 4.470 0.001 0.000 0.229 178 S C 2.097 176.656 174.600 -0.067 0.000 1.021 178 S CA 1.010 59.221 58.200 0.019 0.000 0.974 178 S CB -0.030 63.191 63.200 0.035 0.000 0.800 178 S HN 0.313 nan 8.310 nan 0.000 0.484 179 R N -0.189 120.213 120.500 -0.164 0.000 2.119 179 R HA 0.142 4.483 4.340 0.001 0.000 0.222 179 R C 2.434 178.505 176.300 -0.382 0.000 1.088 179 R CA 0.942 56.900 56.100 -0.238 0.000 0.984 179 R CB -0.101 30.053 30.300 -0.242 0.000 0.884 179 R HN 0.133 nan 8.270 nan 0.000 0.447 180 R N -0.684 119.442 120.500 -0.622 0.000 2.140 180 R HA 0.064 4.405 4.340 0.001 0.000 0.213 180 R C 0.841 176.635 176.300 -0.844 0.000 1.059 180 R CA 1.235 56.795 56.100 -0.899 0.000 1.000 180 R CB 0.261 29.698 30.300 -1.438 0.000 0.910 180 R HN 0.083 nan 8.270 nan 0.000 0.455 181 F N -1.954 117.889 119.950 -0.177 0.000 2.711 181 F HA 0.295 4.823 4.527 0.001 0.000 0.296 181 F C 1.355 177.095 175.800 -0.100 0.000 1.096 181 F CA -0.033 57.894 58.000 -0.121 0.000 1.280 181 F CB 0.308 39.247 39.000 -0.101 0.000 1.060 181 F HN -0.148 nan 8.300 nan 0.000 0.608 182 L N -0.565 120.695 121.223 0.060 0.000 2.425 182 L HA 0.204 4.545 4.340 0.001 0.000 0.215 182 L C 0.350 177.225 176.870 0.008 0.000 1.065 182 L CA -0.118 54.740 54.840 0.029 0.000 0.842 182 L CB 0.020 42.103 42.059 0.041 0.000 1.033 182 L HN -0.028 nan 8.230 nan 0.000 0.474 183 L N 1.988 123.197 121.223 -0.023 0.000 2.559 183 L HA -0.004 4.337 4.340 0.001 0.000 0.274 183 L C 0.817 177.682 176.870 -0.008 0.000 1.205 183 L CA 0.547 55.376 54.840 -0.018 0.000 0.907 183 L CB 0.064 42.088 42.059 -0.058 0.000 1.153 183 L HN 0.106 nan 8.230 nan 0.000 0.490 184 R N 4.917 125.435 120.500 0.030 0.000 2.491 184 R HA 0.196 4.536 4.340 0.001 0.000 0.283 184 R C 0.451 176.771 176.300 0.032 0.000 1.072 184 R CA 0.137 56.265 56.100 0.046 0.000 1.048 184 R CB 0.522 30.883 30.300 0.100 0.000 0.983 184 R HN 0.868 nan 8.270 nan 0.000 0.450 185 R N 2.782 123.294 120.500 0.021 0.000 2.086 185 R HA 0.182 4.523 4.340 0.001 0.000 0.194 185 R C 0.088 176.410 176.300 0.037 0.000 1.312 185 R CA 0.306 56.410 56.100 0.008 0.000 1.145 185 R CB -0.345 29.943 30.300 -0.020 0.000 1.050 185 R HN 0.456 nan 8.270 nan 0.000 0.479 186 K N 1.832 122.253 120.400 0.036 0.000 2.138 186 K HA 0.293 4.613 4.320 0.001 0.000 0.263 186 K C -0.979 175.681 176.600 0.099 0.000 0.965 186 K CA -0.695 55.631 56.287 0.065 0.000 0.868 186 K CB 0.512 33.030 32.500 0.030 0.000 1.083 186 K HN 0.160 nan 8.250 nan 0.000 0.443 187 F N 2.717 122.664 119.950 -0.005 0.000 2.502 187 F HA 0.400 4.927 4.527 0.001 0.000 0.371 187 F C -0.138 175.651 175.800 -0.020 0.000 1.083 187 F CA -0.936 57.059 58.000 -0.009 0.000 1.174 187 F CB 0.002 38.997 39.000 -0.009 0.000 1.096 187 F HN 0.417 nan 8.300 nan 0.000 0.545 188 I N 9.591 129.776 120.570 -0.642 0.000 2.330 188 I HA 0.271 4.442 4.170 0.001 0.000 0.286 188 I C -2.071 173.480 176.117 -0.944 0.000 1.025 188 I CA -2.077 58.860 61.300 -0.606 0.000 1.197 188 I CB 0.932 38.749 38.000 -0.305 0.000 1.358 188 I HN 0.448 nan 8.210 nan 0.000 0.467 189 P HA 0.063 nan 4.420 nan 0.000 0.274 189 P C -0.838 176.263 177.300 -0.331 0.000 1.246 189 P CA -0.315 62.413 63.100 -0.620 0.000 0.795 189 P CB 0.823 32.368 31.700 -0.258 0.000 1.006 190 D N 1.613 121.877 120.400 -0.227 0.000 2.348 190 D HA 0.073 4.713 4.640 0.001 0.000 0.253 190 D C -1.181 175.005 176.300 -0.190 0.000 1.161 190 D CA -1.842 52.026 54.000 -0.219 0.000 0.876 190 D CB 0.379 41.041 40.800 -0.230 0.000 1.160 190 D HN 0.150 nan 8.370 nan 0.000 0.459 191 P HA -0.147 nan 4.420 nan 0.000 0.223 191 P C 0.740 177.932 177.300 -0.179 0.000 1.151 191 P CA 0.953 63.954 63.100 -0.166 0.000 0.787 191 P CB 0.252 31.856 31.700 -0.159 0.000 0.788 192 Q N -0.851 118.810 119.800 -0.232 0.000 2.482 192 Q HA 0.153 4.494 4.340 0.001 0.000 0.209 192 Q C 1.049 176.928 176.000 -0.201 0.000 0.961 192 Q CA 0.539 56.188 55.803 -0.257 0.000 0.945 192 Q CB -0.374 28.150 28.738 -0.357 0.000 1.012 192 Q HN 0.274 nan 8.270 nan 0.000 0.515 193 G N 1.437 110.151 108.800 -0.145 0.000 2.160 193 G HA2 -0.245 3.716 3.960 0.001 0.000 0.244 193 G HA3 -0.245 3.716 3.960 0.001 0.000 0.244 193 G C 0.060 174.951 174.900 -0.015 0.000 1.022 193 G CA 0.279 45.345 45.100 -0.056 0.000 0.741 193 G HN 0.278 nan 8.290 nan 0.000 0.508 194 T N 1.420 115.905 114.554 -0.115 0.000 2.888 194 T HA 0.412 4.763 4.350 0.001 0.000 0.301 194 T C 0.869 175.584 174.700 0.025 0.000 1.001 194 T CA 0.611 62.635 62.100 -0.127 0.000 1.147 194 T CB 0.786 69.421 68.868 -0.388 0.000 0.931 194 T HN 0.811 nan 8.240 nan 0.000 0.541 195 N N 2.673 121.464 118.700 0.152 0.000 2.530 195 N HA 0.307 5.048 4.740 0.001 0.000 0.283 195 N C 0.883 176.558 175.510 0.275 0.000 1.238 195 N CA -1.135 52.043 53.050 0.213 0.000 0.971 195 N CB 0.362 39.000 38.487 0.252 0.000 1.195 195 N HN 0.389 nan 8.380 nan 0.000 0.583 196 L N -1.239 120.147 121.223 0.272 0.000 2.217 196 L HA -0.025 4.316 4.340 0.001 0.000 0.211 196 L C 2.093 179.203 176.870 0.399 0.000 1.107 196 L CA 0.789 55.759 54.840 0.218 0.000 0.783 196 L CB -0.413 41.782 42.059 0.228 0.000 0.919 196 L HN 0.569 nan 8.230 nan 0.000 0.442 197 M N 0.148 120.075 119.600 0.544 0.000 2.108 197 M HA -0.270 4.210 4.480 0.001 0.000 0.261 197 M C 2.049 178.817 176.300 0.779 0.000 1.066 197 M CA 1.902 57.583 55.300 0.635 0.000 1.107 197 M CB -0.634 32.226 32.600 0.432 0.000 1.356 197 M HN 0.181 nan 8.290 nan 0.000 0.406 198 F N 0.316 120.629 119.950 0.604 0.000 2.075 198 F HA -0.074 4.454 4.527 0.001 0.000 0.297 198 F C 2.109 178.192 175.800 0.472 0.000 1.113 198 F CA 1.958 60.327 58.000 0.616 0.000 1.218 198 F CB -0.728 38.455 39.000 0.306 0.000 0.984 198 F HN 0.201 nan 8.300 nan 0.000 0.472 199 A N 0.106 123.279 122.820 0.589 0.000 1.908 199 A HA -0.203 4.118 4.320 0.001 0.000 0.218 199 A C 2.010 179.680 177.584 0.142 0.000 1.181 199 A CA 1.914 54.148 52.037 0.328 0.000 0.627 199 A CB -1.475 17.565 19.000 0.067 0.000 0.818 199 A HN 0.471 nan 8.150 nan 0.000 0.445 200 F N -1.740 118.384 119.950 0.290 0.000 2.163 200 F HA 0.011 4.539 4.527 0.001 0.000 0.297 200 F C 1.978 177.853 175.800 0.125 0.000 1.094 200 F CA 0.825 58.946 58.000 0.201 0.000 1.290 200 F CB -0.876 38.241 39.000 0.195 0.000 1.017 200 F HN 0.334 nan 8.300 nan 0.000 0.483 201 F N 0.744 120.790 119.950 0.160 0.000 2.095 201 F HA -0.195 4.332 4.527 0.001 0.000 0.298 201 F C 2.415 178.195 175.800 -0.033 0.000 1.104 201 F CA 1.471 59.317 58.000 -0.256 0.000 1.232 201 F CB -0.613 38.425 39.000 0.063 0.000 0.987 201 F HN -0.065 nan 8.300 nan 0.000 0.475 202 A N -0.093 122.926 122.820 0.331 0.000 1.884 202 A HA -0.352 3.969 4.320 0.001 0.000 0.219 202 A C 2.226 179.925 177.584 0.191 0.000 1.197 202 A CA 2.242 54.501 52.037 0.370 0.000 0.637 202 A CB -1.266 18.013 19.000 0.464 0.000 0.827 202 A HN 0.624 nan 8.150 nan 0.000 0.450 203 Q N -1.723 118.167 119.800 0.150 0.000 2.046 203 Q HA -0.256 4.084 4.340 0.001 0.000 0.200 203 Q C 2.060 178.078 176.000 0.029 0.000 0.975 203 Q CA 2.023 57.885 55.803 0.099 0.000 0.836 203 Q CB -0.258 28.518 28.738 0.063 0.000 0.896 203 Q HN 0.914 nan 8.270 nan 0.000 0.428 204 H N -0.454 118.511 119.070 -0.175 0.000 2.267 204 H HA -0.203 4.354 4.556 0.001 0.000 0.297 204 H C 1.749 176.944 175.328 -0.222 0.000 1.080 204 H CA 2.329 58.215 56.048 -0.269 0.000 1.278 204 H CB -0.632 28.866 29.762 -0.441 0.000 1.365 204 H HN 0.342 nan 8.280 nan 0.000 0.489 205 F N 0.488 120.080 119.950 -0.596 0.000 2.095 205 F HA -0.214 4.313 4.527 0.001 0.000 0.298 205 F C 2.660 177.881 175.800 -0.965 0.000 1.104 205 F CA 2.143 59.657 58.000 -0.809 0.000 1.232 205 F CB -1.037 37.475 39.000 -0.813 0.000 0.987 205 F HN 0.227 nan 8.300 nan 0.000 0.475 206 T N -1.490 112.575 114.554 -0.816 0.000 2.915 206 T HA -0.198 4.152 4.350 0.001 0.000 0.269 206 T C 1.234 175.077 174.700 -1.428 0.000 1.071 206 T CA 1.495 62.818 62.100 -1.295 0.000 1.132 206 T CB -0.535 67.891 68.868 -0.737 0.000 0.878 206 T HN 0.406 nan 8.240 nan 0.000 0.479 207 H N 0.763 119.300 119.070 -0.888 0.000 2.547 207 H HA 0.170 4.727 4.556 0.001 0.000 0.274 207 H C 2.072 176.954 175.328 -0.744 0.000 1.024 207 H CA 0.446 56.141 56.048 -0.587 0.000 1.155 207 H CB 0.125 29.782 29.762 -0.174 0.000 1.344 207 H HN 0.606 nan 8.280 nan 0.000 0.598 208 Q N -0.328 118.783 119.800 -1.149 0.000 2.376 208 Q HA -0.023 4.318 4.340 0.001 0.000 0.206 208 Q C 0.496 176.054 176.000 -0.735 0.000 0.921 208 Q CA 0.739 55.959 55.803 -0.971 0.000 0.911 208 Q CB 0.063 28.022 28.738 -1.298 0.000 1.032 208 Q HN 0.519 nan 8.270 nan 0.000 0.510 209 F N -2.581 116.939 119.950 -0.717 0.000 2.746 209 F HA 0.485 5.013 4.527 0.001 0.000 0.313 209 F C -0.254 175.183 175.800 -0.606 0.000 1.095 209 F CA -1.203 56.394 58.000 -0.671 0.000 1.224 209 F CB 0.340 38.903 39.000 -0.729 0.000 1.060 209 F HN -0.217 nan 8.300 nan 0.000 0.584 210 F N 3.288 122.995 119.950 -0.406 0.000 2.313 210 F HA 0.538 5.066 4.527 0.001 0.000 0.369 210 F C 0.100 175.730 175.800 -0.284 0.000 1.109 210 F CA -1.416 56.401 58.000 -0.305 0.000 1.132 210 F CB 0.998 39.654 39.000 -0.573 0.000 1.291 210 F HN -0.084 nan 8.300 nan 0.000 0.496 211 K N 2.240 122.688 120.400 0.081 0.000 2.950 211 K HA 0.187 4.507 4.320 0.001 0.000 0.199 211 K C -0.674 175.960 176.600 0.056 0.000 1.144 211 K CA -0.262 56.031 56.287 0.009 0.000 0.983 211 K CB 1.249 33.699 32.500 -0.083 0.000 1.187 211 K HN 0.396 nan 8.250 nan 0.000 0.595 212 T N 1.211 115.843 114.554 0.129 0.000 2.817 212 T HA -0.017 4.333 4.350 0.001 0.000 0.295 212 T C 0.444 175.188 174.700 0.073 0.000 0.958 212 T CA 0.428 62.622 62.100 0.156 0.000 1.157 212 T CB 0.846 69.826 68.868 0.187 0.000 0.898 212 T HN 0.226 nan 8.240 nan 0.000 0.536 213 S N 2.715 118.445 115.700 0.050 0.000 2.488 213 S HA 0.295 4.766 4.470 0.001 0.000 0.278 213 S C 1.626 176.232 174.600 0.010 0.000 1.259 213 S CA -0.490 57.714 58.200 0.006 0.000 1.061 213 S CB 0.256 63.432 63.200 -0.039 0.000 0.910 213 S HN 0.855 nan 8.310 nan 0.000 0.491 214 G N 4.988 113.785 108.800 -0.005 0.000 2.464 214 G HA2 -0.079 3.882 3.960 0.001 0.000 0.217 214 G HA3 -0.079 3.882 3.960 0.001 0.000 0.217 214 G C 1.522 176.402 174.900 -0.034 0.000 1.138 214 G CA 0.188 45.281 45.100 -0.011 0.000 0.793 214 G HN 0.630 nan 8.290 nan 0.000 0.539 215 K N 0.193 120.560 120.400 -0.055 0.000 2.031 215 K HA 0.155 4.475 4.320 0.001 0.000 0.205 215 K C 2.403 178.919 176.600 -0.139 0.000 1.049 215 K CA 0.778 57.015 56.287 -0.083 0.000 0.939 215 K CB -0.400 32.050 32.500 -0.085 0.000 0.717 215 K HN 0.327 nan 8.250 nan 0.000 0.438 216 M N -0.171 119.304 119.600 -0.208 0.000 2.435 216 M HA 0.055 4.535 4.480 0.001 0.000 0.265 216 M C 0.681 176.801 176.300 -0.300 0.000 1.104 216 M CA 0.633 55.679 55.300 -0.423 0.000 1.140 216 M CB 0.238 32.387 32.600 -0.752 0.000 1.372 216 M HN 0.331 nan 8.290 nan 0.000 0.456 217 G N 0.891 109.659 108.800 -0.053 0.000 2.498 217 G HA2 -0.095 3.866 3.960 0.001 0.000 0.651 217 G HA3 -0.095 3.866 3.960 0.001 0.000 0.651 217 G C -3.089 171.967 174.900 0.261 0.000 1.284 217 G CA -1.245 43.914 45.100 0.100 0.000 0.950 217 G HN 0.070 nan 8.290 nan 0.000 0.511 218 P HA 0.411 nan 4.420 nan 0.000 0.271 218 P C 1.034 178.473 177.300 0.232 0.000 1.218 218 P CA 1.759 64.983 63.100 0.206 0.000 0.780 218 P CB 0.924 32.694 31.700 0.118 0.000 0.901 219 G N 0.709 109.648 108.800 0.231 0.000 2.175 219 G HA2 -0.215 3.746 3.960 0.001 0.000 0.244 219 G HA3 -0.215 3.746 3.960 0.001 0.000 0.244 219 G C -0.322 174.466 174.900 -0.187 0.000 0.982 219 G CA -0.380 44.789 45.100 0.115 0.000 0.641 219 G HN 0.429 nan 8.290 nan 0.000 0.527 220 F N 0.208 120.170 119.950 0.020 0.000 2.522 220 F HA 0.781 5.309 4.527 0.001 0.000 0.324 220 F C 0.476 175.990 175.800 -0.477 0.000 1.077 220 F CA -0.252 57.587 58.000 -0.270 0.000 0.944 220 F CB 2.503 41.366 39.000 -0.229 0.000 1.175 220 F HN 0.039 nan 8.300 nan 0.000 0.468 221 T N 0.642 114.942 114.554 -0.423 0.000 2.906 221 T HA 0.352 4.702 4.350 0.001 0.000 0.295 221 T C 0.336 174.896 174.700 -0.233 0.000 1.061 221 T CA -0.574 61.242 62.100 -0.472 0.000 1.000 221 T CB 1.593 69.952 68.868 -0.848 0.000 1.103 221 T HN 0.721 nan 8.240 nan 0.000 0.486 222 K N 1.552 121.845 120.400 -0.177 0.000 2.334 222 K HA 0.346 4.667 4.320 0.001 0.000 0.195 222 K C 0.902 177.400 176.600 -0.169 0.000 1.045 222 K CA 0.074 56.277 56.287 -0.139 0.000 1.004 222 K CB 0.388 32.830 32.500 -0.096 0.000 0.837 222 K HN 0.584 nan 8.250 nan 0.000 0.510 223 A N 1.810 124.494 122.820 -0.228 0.000 2.981 223 A HA 0.088 4.409 4.320 0.001 0.000 0.280 223 A C 0.756 178.130 177.584 -0.350 0.000 1.743 223 A CA -0.009 51.872 52.037 -0.260 0.000 1.430 223 A CB -0.390 18.444 19.000 -0.277 0.000 1.085 223 A HN 0.113 nan 8.150 nan 0.000 0.597 224 L N 1.596 122.694 121.223 -0.207 0.000 2.456 224 L HA -0.026 4.314 4.340 0.001 0.000 0.224 224 L C 2.447 179.315 176.870 -0.004 0.000 1.148 224 L CA 1.862 56.639 54.840 -0.105 0.000 0.825 224 L CB -0.588 41.447 42.059 -0.039 0.000 0.937 224 L HN 0.638 nan 8.230 nan 0.000 0.450 225 G N -2.346 106.416 108.800 -0.063 0.000 2.448 225 G HA2 -0.182 3.779 3.960 0.001 0.000 0.218 225 G HA3 -0.182 3.779 3.960 0.001 0.000 0.218 225 G C 0.291 175.235 174.900 0.074 0.000 1.135 225 G CA 0.072 45.177 45.100 0.009 0.000 0.784 225 G HN 0.579 nan 8.290 nan 0.000 0.543 226 H N 0.004 119.049 119.070 -0.042 0.000 2.740 226 H HA -0.127 4.430 4.556 0.001 0.000 0.327 226 H C 1.116 176.399 175.328 -0.076 0.000 1.077 226 H CA 1.213 57.231 56.048 -0.050 0.000 1.088 226 H CB -1.384 28.349 29.762 -0.049 0.000 1.619 226 H HN 1.093 nan 8.280 nan 0.000 0.386 227 G N -1.035 107.744 108.800 -0.034 0.000 2.270 227 G HA2 -0.060 3.901 3.960 0.001 0.000 0.268 227 G HA3 -0.060 3.901 3.960 0.001 0.000 0.268 227 G C -0.540 174.369 174.900 0.015 0.000 1.312 227 G CA -0.442 44.597 45.100 -0.101 0.000 1.050 227 G HN 0.413 nan 8.290 nan 0.000 0.474 228 V N 2.431 122.364 119.914 0.031 0.000 2.229 228 V HA 0.297 4.418 4.120 0.001 0.000 0.245 228 V C 0.812 176.952 176.094 0.075 0.000 1.243 228 V CA 1.084 63.416 62.300 0.054 0.000 1.176 228 V CB 0.262 32.185 31.823 0.167 0.000 1.323 228 V HN 0.795 nan 8.190 nan 0.000 0.499 229 D N 3.407 123.829 120.400 0.038 0.000 2.407 229 D HA 0.033 4.674 4.640 0.001 0.000 0.208 229 D C 0.914 177.295 176.300 0.136 0.000 1.083 229 D CA -0.285 53.766 54.000 0.085 0.000 0.844 229 D CB 0.166 41.000 40.800 0.057 0.000 0.967 229 D HN 0.415 nan 8.370 nan 0.000 0.506 230 L N 0.277 121.555 121.223 0.092 0.000 3.717 230 L HA -0.161 4.180 4.340 0.001 0.000 0.411 230 L C 1.375 178.341 176.870 0.161 0.000 1.233 230 L CA 0.191 55.130 54.840 0.165 0.000 0.917 230 L CB -2.005 40.133 42.059 0.133 0.000 1.902 230 L HN 0.286 nan 8.230 nan 0.000 0.894 231 G N -0.399 108.450 108.800 0.080 0.000 2.776 231 G HA2 -0.128 3.833 3.960 0.001 0.000 0.209 231 G HA3 -0.128 3.833 3.960 0.001 0.000 0.209 231 G C 1.184 176.043 174.900 -0.069 0.000 1.145 231 G CA 0.717 45.819 45.100 0.003 0.000 0.791 231 G HN 0.839 nan 8.290 nan 0.000 0.530 232 H N -1.084 117.783 119.070 -0.338 0.000 2.586 232 H HA 0.321 4.877 4.556 0.001 0.000 0.273 232 H C 1.593 176.723 175.328 -0.329 0.000 0.997 232 H CA -0.401 55.376 56.048 -0.452 0.000 1.177 232 H CB -0.097 29.344 29.762 -0.536 0.000 1.471 232 H HN 0.428 nan 8.280 nan 0.000 0.538 233 I N -0.908 119.345 120.570 -0.529 0.000 3.565 233 I HA 0.013 4.184 4.170 0.001 0.000 0.287 233 I C 0.925 176.711 176.117 -0.552 0.000 1.193 233 I CA 0.127 61.036 61.300 -0.653 0.000 1.402 233 I CB 0.252 37.656 38.000 -0.994 0.000 1.284 233 I HN -0.042 nan 8.210 nan 0.000 0.454 234 Y N 1.275 121.546 120.300 -0.047 0.000 2.442 234 Y HA 0.547 5.098 4.550 0.001 0.000 0.250 234 Y C 1.113 176.994 175.900 -0.032 0.000 1.113 234 Y CA -0.107 57.999 58.100 0.010 0.000 1.273 234 Y CB 0.239 38.768 38.460 0.115 0.000 1.138 234 Y HN 0.108 nan 8.280 nan 0.000 0.522 235 G N 1.105 109.921 108.800 0.027 0.000 2.629 235 G HA2 -0.198 3.762 3.960 0.001 0.000 0.686 235 G HA3 -0.198 3.762 3.960 0.001 0.000 0.686 235 G C -0.296 174.582 174.900 -0.036 0.000 1.232 235 G CA -0.316 44.762 45.100 -0.036 0.000 0.803 235 G HN 0.336 nan 8.290 nan 0.000 0.638 236 D N -0.396 119.959 120.400 -0.076 0.000 2.347 236 D HA 0.077 4.717 4.640 0.001 0.000 0.213 236 D C 0.877 177.137 176.300 -0.068 0.000 0.985 236 D CA 1.092 55.044 54.000 -0.079 0.000 0.879 236 D CB 0.088 40.826 40.800 -0.104 0.000 0.919 236 D HN 0.746 nan 8.370 nan 0.000 0.526 237 N N -0.259 118.400 118.700 -0.070 0.000 2.455 237 N HA 0.103 4.844 4.740 0.001 0.000 0.278 237 N C 0.096 175.533 175.510 -0.122 0.000 1.291 237 N CA -0.790 52.212 53.050 -0.081 0.000 0.780 237 N CB 1.961 40.405 38.487 -0.072 0.000 1.520 237 N HN -0.020 nan 8.380 nan 0.000 0.486 238 L N 0.962 122.085 121.223 -0.166 0.000 2.109 238 L HA 0.018 4.359 4.340 0.001 0.000 0.207 238 L C 2.715 179.334 176.870 -0.418 0.000 1.086 238 L CA 2.640 57.275 54.840 -0.341 0.000 0.760 238 L CB -0.997 40.872 42.059 -0.317 0.000 0.910 238 L HN 0.863 nan 8.230 nan 0.000 0.437 239 E N -0.092 119.996 120.200 -0.187 0.000 2.118 239 E HA -0.303 4.048 4.350 0.001 0.000 0.195 239 E C 2.404 178.980 176.600 -0.040 0.000 0.992 239 E CA 1.630 57.989 56.400 -0.068 0.000 0.804 239 E CB -0.769 28.919 29.700 -0.020 0.000 0.741 239 E HN 0.608 nan 8.360 nan 0.000 0.458 240 R N -0.597 119.862 120.500 -0.068 0.000 2.093 240 R HA -0.090 4.251 4.340 0.001 0.000 0.224 240 R C 2.693 178.974 176.300 -0.031 0.000 1.101 240 R CA 1.260 57.337 56.100 -0.037 0.000 0.979 240 R CB -0.175 30.096 30.300 -0.049 0.000 0.877 240 R HN 0.548 nan 8.270 nan 0.000 0.441 241 Q N -0.270 119.469 119.800 -0.102 0.000 2.045 241 Q HA -0.236 4.104 4.340 0.001 0.000 0.206 241 Q C 1.522 177.506 176.000 -0.027 0.000 0.991 241 Q CA 1.886 57.633 55.803 -0.094 0.000 0.851 241 Q CB -0.197 28.416 28.738 -0.208 0.000 0.911 241 Q HN 0.411 nan 8.270 nan 0.000 0.418 242 Y N 0.507 120.820 120.300 0.021 0.000 2.256 242 Y HA -0.195 4.356 4.550 0.001 0.000 0.288 242 Y C 2.395 178.419 175.900 0.206 0.000 1.155 242 Y CA 1.292 59.486 58.100 0.158 0.000 1.203 242 Y CB -0.664 37.951 38.460 0.259 0.000 0.980 242 Y HN 0.263 nan 8.280 nan 0.000 0.530 243 Q N -0.442 119.504 119.800 0.243 0.000 2.167 243 Q HA -0.074 4.266 4.340 0.001 0.000 0.202 243 Q C 1.897 177.972 176.000 0.125 0.000 0.970 243 Q CA 0.945 56.844 55.803 0.159 0.000 0.855 243 Q CB -0.242 28.549 28.738 0.088 0.000 0.911 243 Q HN 0.280 nan 8.270 nan 0.000 0.438 244 L N 0.145 121.425 121.223 0.095 0.000 2.313 244 L HA 0.062 4.403 4.340 0.001 0.000 0.214 244 L C 0.364 177.271 176.870 0.062 0.000 1.119 244 L CA 1.016 55.900 54.840 0.074 0.000 0.809 244 L CB -0.586 41.511 42.059 0.064 0.000 0.933 244 L HN 0.166 nan 8.230 nan 0.000 0.449 245 R N 0.006 120.510 120.500 0.006 0.000 2.441 245 R HA 0.065 4.406 4.340 0.001 0.000 0.284 245 R C 1.092 177.396 176.300 0.007 0.000 1.070 245 R CA -0.410 55.591 56.100 -0.165 0.000 1.047 245 R CB 1.146 31.008 30.300 -0.730 0.000 1.016 245 R HN -0.094 nan 8.270 nan 0.000 0.477 246 L N 2.990 124.230 121.223 0.027 0.000 2.217 246 L HA 0.027 4.368 4.340 0.001 0.000 0.211 246 L C 0.195 177.205 176.870 0.234 0.000 1.107 246 L CA 1.315 56.237 54.840 0.137 0.000 0.783 246 L CB -0.269 41.881 42.059 0.151 0.000 0.919 246 L HN 0.770 nan 8.230 nan 0.000 0.442 247 F N -1.154 118.812 119.950 0.027 0.000 3.043 247 F HA -0.186 4.342 4.527 0.001 0.000 0.290 247 F C 0.501 176.321 175.800 0.033 0.000 0.844 247 F CA 0.975 58.974 58.000 -0.001 0.000 1.184 247 F CB -2.286 36.683 39.000 -0.051 0.000 1.246 247 F HN 0.233 nan 8.300 nan 0.000 0.536 248 K N -0.200 120.299 120.400 0.165 0.000 2.615 248 K HA 0.615 4.935 4.320 0.001 0.000 0.249 248 K C 0.282 176.971 176.600 0.149 0.000 0.977 248 K CA -0.186 56.190 56.287 0.148 0.000 0.833 248 K CB 1.008 33.587 32.500 0.133 0.000 1.208 248 K HN 0.162 nan 8.250 nan 0.000 0.443 249 D N 1.303 121.792 120.400 0.148 0.000 3.041 249 D HA -0.186 4.455 4.640 0.001 0.000 0.220 249 D C 1.059 177.475 176.300 0.192 0.000 1.157 249 D CA 2.776 56.872 54.000 0.160 0.000 0.876 249 D CB -1.438 39.446 40.800 0.140 0.000 1.107 249 D HN 2.108 nan 8.370 nan 0.000 0.422 250 G N -0.535 108.385 108.800 0.200 0.000 2.189 250 G HA2 -0.404 3.556 3.960 0.001 0.000 0.267 250 G HA3 -0.404 3.556 3.960 0.001 0.000 0.267 250 G C 0.386 175.542 174.900 0.426 0.000 0.975 250 G CA 1.009 46.285 45.100 0.293 0.000 0.644 250 G HN 0.509 nan 8.290 nan 0.000 0.537 251 K N -0.296 120.292 120.400 0.313 0.000 2.168 251 K HA 0.578 4.898 4.320 0.001 0.000 0.258 251 K C 0.685 177.454 176.600 0.282 0.000 1.010 251 K CA -0.623 55.885 56.287 0.369 0.000 0.929 251 K CB 0.705 33.378 32.500 0.288 0.000 0.998 251 K HN 0.184 nan 8.250 nan 0.000 0.479 252 L N 1.358 122.745 121.223 0.273 0.000 2.439 252 L HA 0.301 4.641 4.340 0.001 0.000 0.259 252 L C 0.382 177.399 176.870 0.246 0.000 1.129 252 L CA -0.529 54.414 54.840 0.172 0.000 0.803 252 L CB 0.106 42.239 42.059 0.123 0.000 1.161 252 L HN 0.349 nan 8.230 nan 0.000 0.462 253 K N 0.655 121.165 120.400 0.184 0.000 2.380 253 K HA 0.326 4.646 4.320 0.001 0.000 0.267 253 K C -1.181 175.581 176.600 0.270 0.000 0.990 253 K CA 0.216 56.608 56.287 0.174 0.000 0.946 253 K CB 0.411 32.965 32.500 0.089 0.000 0.937 253 K HN 0.622 nan 8.250 nan 0.000 0.491 254 Y N -1.919 118.426 120.300 0.074 0.000 2.592 254 Y HA 0.248 4.798 4.550 0.001 0.000 0.334 254 Y C -1.462 174.483 175.900 0.074 0.000 1.136 254 Y CA -1.377 56.769 58.100 0.077 0.000 1.042 254 Y CB 1.047 39.550 38.460 0.072 0.000 1.325 254 Y HN 0.570 nan 8.280 nan 0.000 0.457 255 Q N 3.215 123.111 119.800 0.159 0.000 2.345 255 Q HA 0.707 5.048 4.340 0.001 0.000 0.268 255 Q C -1.408 174.734 176.000 0.236 0.000 1.054 255 Q CA -1.174 54.684 55.803 0.092 0.000 0.835 255 Q CB 3.032 31.811 28.738 0.067 0.000 1.339 255 Q HN 0.821 nan 8.270 nan 0.000 0.447 256 M N 2.951 122.659 119.600 0.180 0.000 2.114 256 M HA 0.398 4.879 4.480 0.001 0.000 0.332 256 M C -1.548 174.861 176.300 0.182 0.000 1.014 256 M CA -0.742 54.692 55.300 0.224 0.000 0.956 256 M CB 1.271 33.987 32.600 0.194 0.000 1.551 256 M HN 0.565 nan 8.290 nan 0.000 0.427 257 L N 4.445 125.829 121.223 0.268 0.000 2.362 257 L HA 0.473 4.813 4.340 0.001 0.000 0.275 257 L C 0.516 177.498 176.870 0.187 0.000 0.998 257 L CA -0.062 54.871 54.840 0.156 0.000 0.820 257 L CB 1.539 43.609 42.059 0.017 0.000 1.270 257 L HN 0.710 nan 8.230 nan 0.000 0.415 258 N N 2.632 121.390 118.700 0.096 0.000 2.778 258 N HA -0.239 4.501 4.740 0.001 0.000 0.249 258 N C 0.997 176.558 175.510 0.084 0.000 1.069 258 N CA 1.365 54.463 53.050 0.079 0.000 0.831 258 N CB -1.009 37.524 38.487 0.076 0.000 1.142 258 N HN 1.129 nan 8.380 nan 0.000 0.573 259 G N -1.202 107.654 108.800 0.094 0.000 2.213 259 G HA2 -0.276 3.684 3.960 0.001 0.000 0.236 259 G HA3 -0.276 3.684 3.960 0.001 0.000 0.236 259 G C -0.245 174.690 174.900 0.058 0.000 0.991 259 G CA 0.453 45.594 45.100 0.068 0.000 0.629 259 G HN 0.419 nan 8.290 nan 0.000 0.517 260 E N 0.244 120.496 120.200 0.087 0.000 2.248 260 E HA 0.529 4.879 4.350 0.001 0.000 0.272 260 E C 0.221 176.746 176.600 -0.124 0.000 1.008 260 E CA -0.615 55.753 56.400 -0.054 0.000 0.856 260 E CB 2.291 31.929 29.700 -0.103 0.000 1.120 260 E HN 0.143 nan 8.360 nan 0.000 0.397 261 V N 3.135 122.876 119.914 -0.289 0.000 2.530 261 V HA 0.171 4.292 4.120 0.001 0.000 0.282 261 V C -0.682 175.143 176.094 -0.448 0.000 1.048 261 V CA 0.090 62.270 62.300 -0.199 0.000 0.997 261 V CB -0.316 31.371 31.823 -0.226 0.000 0.987 261 V HN 0.502 nan 8.190 nan 0.000 0.477 262 Y N 3.949 124.317 120.300 0.114 0.000 2.581 262 Y HA 0.495 5.045 4.550 0.001 0.000 0.345 262 Y C -2.439 173.538 175.900 0.129 0.000 1.036 262 Y CA -2.767 55.387 58.100 0.090 0.000 1.042 262 Y CB 1.999 40.496 38.460 0.062 0.000 1.289 262 Y HN 0.413 nan 8.280 nan 0.000 0.471 263 P HA 0.034 nan 4.420 nan 0.000 0.266 263 P C -2.527 174.878 177.300 0.174 0.000 1.195 263 P CA -0.717 62.506 63.100 0.205 0.000 0.768 263 P CB -0.008 31.798 31.700 0.177 0.000 0.838 264 P HA 0.013 nan 4.420 nan 0.000 0.272 264 P C -0.299 177.032 177.300 0.051 0.000 1.240 264 P CA -0.052 63.099 63.100 0.085 0.000 0.791 264 P CB 0.386 32.125 31.700 0.066 0.000 0.978 265 S N -0.206 115.503 115.700 0.016 0.000 2.603 265 S HA 0.101 4.572 4.470 0.001 0.000 0.268 265 S C 1.468 176.058 174.600 -0.016 0.000 1.317 265 S CA -0.669 57.520 58.200 -0.017 0.000 1.012 265 S CB -0.001 63.176 63.200 -0.038 0.000 0.926 265 S HN 0.243 nan 8.310 nan 0.000 0.539 266 V N 1.163 121.053 119.914 -0.040 0.000 2.594 266 V HA -0.135 3.986 4.120 0.001 0.000 0.253 266 V C 2.602 178.681 176.094 -0.026 0.000 1.069 266 V CA 2.112 64.394 62.300 -0.030 0.000 1.082 266 V CB -1.398 30.394 31.823 -0.051 0.000 0.680 266 V HN 1.012 nan 8.190 nan 0.000 0.469 267 E N 0.002 120.182 120.200 -0.035 0.000 2.153 267 E HA -0.241 4.110 4.350 0.001 0.000 0.194 267 E C 2.302 178.891 176.600 -0.018 0.000 0.988 267 E CA 1.344 57.727 56.400 -0.029 0.000 0.811 267 E CB 0.056 29.735 29.700 -0.035 0.000 0.746 267 E HN 0.716 nan 8.360 nan 0.000 0.466 268 E N -0.894 119.298 120.200 -0.013 0.000 2.166 268 E HA 0.069 4.420 4.350 0.001 0.000 0.192 268 E C -0.249 176.358 176.600 0.011 0.000 0.967 268 E CA 0.448 56.845 56.400 -0.005 0.000 0.840 268 E CB 0.420 30.114 29.700 -0.010 0.000 0.795 268 E HN 0.126 nan 8.360 nan 0.000 0.470 269 A N 2.624 125.453 122.820 0.016 0.000 2.802 269 A HA 0.327 4.648 4.320 0.001 0.000 0.344 269 A C -2.515 175.081 177.584 0.020 0.000 1.215 269 A CA -1.406 50.649 52.037 0.030 0.000 0.821 269 A CB 0.488 19.515 19.000 0.045 0.000 1.099 269 A HN 0.014 nan 8.150 nan 0.000 0.479 270 P HA 0.190 nan 4.420 nan 0.000 0.264 270 P C -0.123 177.179 177.300 0.004 0.000 1.537 270 P CA 0.493 63.595 63.100 0.004 0.000 1.189 270 P CB 0.075 31.775 31.700 0.001 0.000 1.687 271 V N 1.557 121.472 119.914 0.002 0.000 2.769 271 V HA 0.442 4.563 4.120 0.001 0.000 0.312 271 V C 0.015 176.095 176.094 -0.025 0.000 1.061 271 V CA -1.658 60.635 62.300 -0.011 0.000 0.931 271 V CB 2.096 33.912 31.823 -0.012 0.000 1.010 271 V HN 0.186 nan 8.190 nan 0.000 0.433 272 L N 4.597 125.791 121.223 -0.048 0.000 2.500 272 L HA 0.443 4.783 4.340 0.001 0.000 0.272 272 L C -0.167 176.612 176.870 -0.151 0.000 1.149 272 L CA 0.725 55.519 54.840 -0.076 0.000 0.897 272 L CB 0.155 42.167 42.059 -0.078 0.000 1.178 272 L HN 0.783 nan 8.230 nan 0.000 0.473 273 M N 3.813 123.338 119.600 -0.124 0.000 2.550 273 M HA 0.304 4.784 4.480 0.001 0.000 0.292 273 M C -0.541 175.683 176.300 -0.127 0.000 1.221 273 M CA -0.820 54.369 55.300 -0.185 0.000 0.873 273 M CB 2.017 34.648 32.600 0.051 0.000 1.727 273 M HN 0.422 nan 8.290 nan 0.000 0.459 274 H N 0.852 119.936 119.070 0.024 0.000 2.770 274 H HA 0.180 4.737 4.556 0.001 0.000 0.315 274 H C -0.979 174.354 175.328 0.008 0.000 1.127 274 H CA 0.072 56.130 56.048 0.016 0.000 1.155 274 H CB -1.018 28.743 29.762 -0.001 0.000 1.397 274 H HN 0.374 nan 8.280 nan 0.000 0.538 275 Y N 2.667 123.026 120.300 0.099 0.000 2.497 275 Y HA 0.044 4.594 4.550 0.001 0.000 0.334 275 Y C -1.251 174.667 175.900 0.031 0.000 1.199 275 Y CA -1.740 56.401 58.100 0.068 0.000 1.425 275 Y CB 0.245 38.724 38.460 0.032 0.000 1.291 275 Y HN 0.229 nan 8.280 nan 0.000 0.562 276 P HA 0.101 nan 4.420 nan 0.000 0.265 276 P C -0.433 176.892 177.300 0.041 0.000 1.193 276 P CA -0.189 62.918 63.100 0.012 0.000 0.765 276 P CB 0.333 31.960 31.700 -0.121 0.000 0.823 277 R N 1.716 122.224 120.500 0.013 0.000 2.458 277 R HA 0.401 4.741 4.340 0.001 0.000 0.303 277 R C 1.358 177.655 176.300 -0.005 0.000 1.013 277 R CA 0.353 56.459 56.100 0.009 0.000 1.026 277 R CB -1.424 28.877 30.300 0.002 0.000 0.948 277 R HN 0.923 nan 8.270 nan 0.000 0.417 278 G N 1.023 109.819 108.800 -0.006 0.000 2.367 278 G HA2 -0.096 3.865 3.960 0.001 0.000 0.181 278 G HA3 -0.096 3.865 3.960 0.001 0.000 0.181 278 G C 0.049 174.935 174.900 -0.023 0.000 1.000 278 G CA -0.115 44.976 45.100 -0.015 0.000 0.693 278 G HN 0.616 nan 8.290 nan 0.000 0.480 279 I N 3.401 123.957 120.570 -0.023 0.000 2.556 279 I HA 0.276 4.447 4.170 0.001 0.000 0.284 279 I C -1.484 174.575 176.117 -0.097 0.000 1.114 279 I CA -2.602 58.666 61.300 -0.053 0.000 1.418 279 I CB 0.075 38.047 38.000 -0.047 0.000 1.394 279 I HN -0.028 nan 8.210 nan 0.000 0.552 280 P HA 0.067 nan 4.420 nan 0.000 0.265 280 P C -2.014 175.200 177.300 -0.144 0.000 1.187 280 P CA -0.951 62.090 63.100 -0.098 0.000 0.766 280 P CB -0.120 31.532 31.700 -0.080 0.000 0.820 281 P HA -0.129 nan 4.420 nan 0.000 0.223 281 P C 1.126 178.352 177.300 -0.125 0.000 1.151 281 P CA 1.376 64.398 63.100 -0.131 0.000 0.787 281 P CB 0.285 31.933 31.700 -0.085 0.000 0.788 282 Q N 0.704 120.444 119.800 -0.101 0.000 2.046 282 Q HA -0.096 4.245 4.340 0.001 0.000 0.200 282 Q C 2.495 178.433 176.000 -0.104 0.000 0.975 282 Q CA 2.272 58.024 55.803 -0.085 0.000 0.836 282 Q CB -1.034 27.665 28.738 -0.066 0.000 0.896 282 Q HN 0.351 nan 8.270 nan 0.000 0.428 283 S N -0.285 115.340 115.700 -0.124 0.000 2.453 283 S HA -0.063 4.408 4.470 0.001 0.000 0.231 283 S C 0.786 175.272 174.600 -0.190 0.000 1.005 283 S CA -0.003 58.119 58.200 -0.131 0.000 0.949 283 S CB -0.081 63.056 63.200 -0.106 0.000 0.774 283 S HN 0.245 nan 8.310 nan 0.000 0.510 284 Q N 0.772 120.381 119.800 -0.318 0.000 2.337 284 Q HA 0.376 4.717 4.340 0.001 0.000 0.270 284 Q C -0.735 175.140 176.000 -0.209 0.000 1.002 284 Q CA 0.578 56.049 55.803 -0.553 0.000 0.888 284 Q CB 0.533 28.892 28.738 -0.632 0.000 1.222 284 Q HN 0.485 nan 8.270 nan 0.000 0.400 285 M N 1.709 121.290 119.600 -0.031 0.000 2.259 285 M HA 0.468 4.949 4.480 0.001 0.000 0.304 285 M C -1.015 175.383 176.300 0.163 0.000 1.019 285 M CA -0.703 54.651 55.300 0.090 0.000 0.922 285 M CB 2.122 34.796 32.600 0.123 0.000 1.600 285 M HN 0.596 nan 8.290 nan 0.000 0.433 286 A N 3.436 126.321 122.820 0.107 0.000 2.289 286 A HA 0.796 5.117 4.320 0.001 0.000 0.298 286 A C -0.268 177.372 177.584 0.093 0.000 1.208 286 A CA -0.498 51.597 52.037 0.096 0.000 0.845 286 A CB 0.356 19.391 19.000 0.058 0.000 1.125 286 A HN 0.772 nan 8.150 nan 0.000 0.517 287 V N -0.251 119.706 119.914 0.071 0.000 3.103 287 V HA 0.853 4.973 4.120 0.001 0.000 0.311 287 V C 1.103 177.168 176.094 -0.049 0.000 1.322 287 V CA -0.058 62.268 62.300 0.043 0.000 1.063 287 V CB 0.929 32.829 31.823 0.129 0.000 1.090 287 V HN 0.979 nan 8.190 nan 0.000 0.462 288 G N -1.110 107.622 108.800 -0.115 0.000 2.408 288 G HA2 -0.019 3.942 3.960 0.001 0.000 0.217 288 G HA3 -0.019 3.942 3.960 0.001 0.000 0.217 288 G C 0.671 175.404 174.900 -0.279 0.000 1.150 288 G CA 0.628 45.621 45.100 -0.179 0.000 0.776 288 G HN 0.611 nan 8.290 nan 0.000 0.542 289 Q N 0.388 119.889 119.800 -0.499 0.000 2.290 289 Q HA 0.138 4.479 4.340 0.001 0.000 0.259 289 Q C 1.115 176.813 176.000 -0.503 0.000 0.941 289 Q CA -0.402 54.963 55.803 -0.730 0.000 0.912 289 Q CB 1.647 29.362 28.738 -1.705 0.000 1.244 289 Q HN 0.545 nan 8.270 nan 0.000 0.441 290 E N 2.449 122.456 120.200 -0.321 0.000 2.274 290 E HA -0.083 4.267 4.350 0.001 0.000 0.194 290 E C 1.185 177.702 176.600 -0.139 0.000 0.996 290 E CA 0.799 57.049 56.400 -0.251 0.000 0.840 290 E CB 0.031 29.486 29.700 -0.408 0.000 0.772 290 E HN 0.323 nan 8.360 nan 0.000 0.491 291 V N 0.818 120.703 119.914 -0.047 0.000 2.719 291 V HA -0.126 3.995 4.120 0.001 0.000 0.252 291 V C 1.880 178.046 176.094 0.119 0.000 1.065 291 V CA 0.772 63.127 62.300 0.090 0.000 1.086 291 V CB -0.808 31.088 31.823 0.122 0.000 0.700 291 V HN 0.046 nan 8.190 nan 0.000 0.467 292 F N 1.934 121.822 119.950 -0.102 0.000 2.346 292 F HA -0.078 4.450 4.527 0.001 0.000 0.301 292 F C 2.231 177.942 175.800 -0.148 0.000 1.070 292 F CA 1.027 58.967 58.000 -0.099 0.000 1.407 292 F CB -1.395 37.586 39.000 -0.031 0.000 1.072 292 F HN 0.275 nan 8.300 nan 0.000 0.543 293 G N -1.274 107.472 108.800 -0.091 0.000 2.920 293 G HA2 0.034 3.995 3.960 0.001 0.000 0.208 293 G HA3 0.034 3.995 3.960 0.001 0.000 0.208 293 G C 1.492 176.140 174.900 -0.420 0.000 1.159 293 G CA 0.124 44.979 45.100 -0.408 0.000 0.784 293 G HN 0.248 nan 8.290 nan 0.000 0.535 294 L N -0.580 120.503 121.223 -0.232 0.000 2.354 294 L HA 0.447 4.788 4.340 0.001 0.000 0.212 294 L C 0.695 177.354 176.870 -0.352 0.000 1.091 294 L CA 0.785 55.519 54.840 -0.177 0.000 0.828 294 L CB 0.109 42.123 42.059 -0.075 0.000 0.973 294 L HN 0.037 nan 8.230 nan 0.000 0.461 295 L N -0.745 120.281 121.223 -0.328 0.000 2.385 295 L HA 0.340 4.680 4.340 0.001 0.000 0.273 295 L C -1.694 174.887 176.870 -0.481 0.000 0.990 295 L CA -1.508 53.044 54.840 -0.479 0.000 0.821 295 L CB 1.938 43.812 42.059 -0.309 0.000 1.279 295 L HN -0.237 nan 8.230 nan 0.000 0.412 296 P HA -0.099 nan 4.420 nan 0.000 0.220 296 P C 1.408 178.475 177.300 -0.387 0.000 1.148 296 P CA 0.906 63.725 63.100 -0.469 0.000 0.803 296 P CB 0.336 31.714 31.700 -0.537 0.000 0.782 297 G N -0.229 108.182 108.800 -0.650 0.000 2.402 297 G HA2 -0.185 3.776 3.960 0.001 0.000 0.216 297 G HA3 -0.185 3.776 3.960 0.001 0.000 0.216 297 G C 1.442 176.040 174.900 -0.503 0.000 1.162 297 G CA 0.412 44.822 45.100 -1.151 0.000 0.777 297 G HN 0.227 nan 8.290 nan 0.000 0.539 298 L N -0.646 120.361 121.223 -0.360 0.000 2.109 298 L HA 0.063 4.404 4.340 0.001 0.000 0.207 298 L C 2.740 179.398 176.870 -0.353 0.000 1.086 298 L CA 0.813 55.416 54.840 -0.396 0.000 0.760 298 L CB -0.277 41.463 42.059 -0.531 0.000 0.910 298 L HN 0.219 nan 8.230 nan 0.000 0.437 299 M N -0.116 119.354 119.600 -0.216 0.000 2.319 299 M HA -0.109 4.371 4.480 0.001 0.000 0.265 299 M C 1.867 178.141 176.300 -0.043 0.000 1.068 299 M CA 1.437 56.696 55.300 -0.070 0.000 1.118 299 M CB -0.304 32.272 32.600 -0.039 0.000 1.395 299 M HN 0.130 nan 8.290 nan 0.000 0.435 300 L N -0.620 120.538 121.223 -0.108 0.000 1.976 300 L HA -0.188 4.153 4.340 0.001 0.000 0.209 300 L C 1.855 178.630 176.870 -0.158 0.000 1.071 300 L CA 2.066 56.838 54.840 -0.114 0.000 0.746 300 L CB -1.194 40.775 42.059 -0.150 0.000 0.890 300 L HN 0.337 nan 8.230 nan 0.000 0.432 301 Y N -0.016 120.158 120.300 -0.209 0.000 2.256 301 Y HA -0.197 4.354 4.550 0.001 0.000 0.288 301 Y C 2.544 178.360 175.900 -0.140 0.000 1.155 301 Y CA 1.474 59.396 58.100 -0.297 0.000 1.203 301 Y CB -0.926 37.087 38.460 -0.745 0.000 0.980 301 Y HN 0.367 nan 8.280 nan 0.000 0.530 302 A N -0.752 122.108 122.820 0.067 0.000 1.972 302 A HA -0.196 4.125 4.320 0.001 0.000 0.219 302 A C 2.246 179.928 177.584 0.164 0.000 1.169 302 A CA 2.233 54.402 52.037 0.219 0.000 0.635 302 A CB -1.054 18.097 19.000 0.252 0.000 0.810 302 A HN 0.426 nan 8.150 nan 0.000 0.446 303 T N 0.384 114.992 114.554 0.089 0.000 2.857 303 T HA -0.020 4.331 4.350 0.001 0.000 0.266 303 T C 1.797 176.483 174.700 -0.024 0.000 1.048 303 T CA 1.134 63.261 62.100 0.046 0.000 1.139 303 T CB -0.228 68.665 68.868 0.042 0.000 0.874 303 T HN 0.354 nan 8.240 nan 0.000 0.455 304 I N -0.041 120.485 120.570 -0.073 0.000 2.142 304 I HA -0.136 4.035 4.170 0.001 0.000 0.240 304 I C 2.155 178.183 176.117 -0.149 0.000 1.078 304 I CA 1.427 62.612 61.300 -0.191 0.000 1.343 304 I CB -1.282 36.512 38.000 -0.343 0.000 1.046 304 I HN 0.377 nan 8.210 nan 0.000 0.405 305 W N 0.415 121.734 121.300 0.031 0.000 2.465 305 W HA -0.112 4.548 4.660 0.001 0.000 0.268 305 W C 2.454 179.003 176.519 0.051 0.000 1.242 305 W CA 0.017 57.396 57.345 0.057 0.000 1.248 305 W CB -0.313 29.174 29.460 0.044 0.000 1.118 305 W HN 0.076 nan 8.180 nan 0.000 0.587 306 L N 1.044 122.389 121.223 0.204 0.000 2.005 306 L HA -0.114 4.227 4.340 0.001 0.000 0.207 306 L C 2.226 179.160 176.870 0.106 0.000 1.072 306 L CA 1.972 56.895 54.840 0.139 0.000 0.744 306 L CB -1.111 41.005 42.059 0.097 0.000 0.895 306 L HN 0.020 nan 8.230 nan 0.000 0.433 307 R N -0.396 120.111 120.500 0.012 0.000 2.096 307 R HA -0.227 4.114 4.340 0.001 0.000 0.235 307 R C 2.050 178.347 176.300 -0.006 0.000 1.127 307 R CA 1.493 57.559 56.100 -0.055 0.000 0.968 307 R CB -0.182 30.044 30.300 -0.123 0.000 0.861 307 R HN 0.351 nan 8.270 nan 0.000 0.440 308 E N 0.180 120.395 120.200 0.025 0.000 2.051 308 E HA -0.231 4.119 4.350 0.001 0.000 0.192 308 E C 1.769 178.457 176.600 0.146 0.000 0.991 308 E CA 1.727 58.157 56.400 0.050 0.000 0.799 308 E CB -0.186 29.526 29.700 0.019 0.000 0.748 308 E HN 0.422 nan 8.360 nan 0.000 0.449 309 H N -0.334 118.831 119.070 0.158 0.000 2.290 309 H HA -0.091 4.466 4.556 0.001 0.000 0.298 309 H C 1.639 177.047 175.328 0.133 0.000 1.087 309 H CA 2.311 58.476 56.048 0.194 0.000 1.291 309 H CB -0.102 29.827 29.762 0.278 0.000 1.369 309 H HN 0.152 nan 8.280 nan 0.000 0.492 310 N N -0.005 118.848 118.700 0.256 0.000 2.244 310 N HA -0.115 4.626 4.740 0.001 0.000 0.183 310 N C 1.918 177.446 175.510 0.031 0.000 1.016 310 N CA 0.905 54.035 53.050 0.133 0.000 0.866 310 N CB -0.283 38.220 38.487 0.027 0.000 0.980 310 N HN 0.373 nan 8.380 nan 0.000 0.430 311 R N 0.525 121.031 120.500 0.009 0.000 2.075 311 R HA -0.007 4.334 4.340 0.001 0.000 0.232 311 R C 1.575 177.869 176.300 -0.010 0.000 1.126 311 R CA 0.890 56.980 56.100 -0.016 0.000 0.963 311 R CB -0.165 30.119 30.300 -0.028 0.000 0.858 311 R HN 0.003 nan 8.270 nan 0.000 0.435 312 V N 0.240 120.151 119.914 -0.006 0.000 2.407 312 V HA -0.309 3.812 4.120 0.001 0.000 0.248 312 V C 2.460 178.542 176.094 -0.020 0.000 1.055 312 V CA 1.646 63.938 62.300 -0.013 0.000 1.049 312 V CB -0.412 31.402 31.823 -0.014 0.000 0.662 312 V HN 0.533 nan 8.190 nan 0.000 0.455 313 C N -0.001 119.282 119.300 -0.030 0.000 2.425 313 C HA -0.156 4.304 4.460 0.001 0.000 0.277 313 C C 2.482 177.490 174.990 0.030 0.000 1.280 313 C CA 0.812 59.843 59.018 0.020 0.000 1.744 313 C CB -1.066 26.715 27.740 0.068 0.000 1.989 313 C HN 0.598 nan 8.230 nan 0.000 0.491 314 D N 0.682 121.089 120.400 0.012 0.000 2.117 314 D HA -0.073 4.567 4.640 0.001 0.000 0.198 314 D C 1.941 178.223 176.300 -0.030 0.000 0.982 314 D CA 1.108 55.107 54.000 -0.001 0.000 0.828 314 D CB -0.328 40.467 40.800 -0.008 0.000 0.967 314 D HN 0.294 nan 8.370 nan 0.000 0.464 315 L N 0.086 121.286 121.223 -0.038 0.000 2.156 315 L HA -0.103 4.238 4.340 0.001 0.000 0.208 315 L C 2.218 179.017 176.870 -0.119 0.000 1.095 315 L CA 0.718 55.517 54.840 -0.067 0.000 0.770 315 L CB -0.356 41.674 42.059 -0.048 0.000 0.914 315 L HN 0.016 nan 8.230 nan 0.000 0.439 316 L N -0.076 121.092 121.223 -0.092 0.000 2.109 316 L HA -0.148 4.193 4.340 0.001 0.000 0.207 316 L C 2.842 179.577 176.870 -0.226 0.000 1.086 316 L CA 2.142 56.889 54.840 -0.156 0.000 0.760 316 L CB -1.282 40.786 42.059 0.016 0.000 0.910 316 L HN 0.256 nan 8.230 nan 0.000 0.437 317 K N -0.302 120.046 120.400 -0.087 0.000 2.147 317 K HA -0.008 4.312 4.320 0.001 0.000 0.205 317 K C 2.219 178.743 176.600 -0.128 0.000 1.049 317 K CA 1.410 57.663 56.287 -0.058 0.000 0.936 317 K CB -1.386 31.124 32.500 0.016 0.000 0.722 317 K HN 0.433 nan 8.250 nan 0.000 0.446 318 A N 1.499 124.228 122.820 -0.152 0.000 1.902 318 A HA -0.166 4.154 4.320 0.001 0.000 0.217 318 A C 2.212 179.650 177.584 -0.242 0.000 1.181 318 A CA 1.613 53.557 52.037 -0.156 0.000 0.623 318 A CB -0.139 18.785 19.000 -0.127 0.000 0.818 318 A HN 0.578 nan 8.150 nan 0.000 0.443 319 E N -0.131 119.813 120.200 -0.428 0.000 2.076 319 E HA -0.056 4.294 4.350 0.001 0.000 0.190 319 E C -0.143 176.036 176.600 -0.701 0.000 0.979 319 E CA 0.821 56.842 56.400 -0.632 0.000 0.807 319 E CB -0.248 28.881 29.700 -0.952 0.000 0.761 319 E HN 0.888 nan 8.360 nan 0.000 0.454 320 H N -0.113 118.711 119.070 -0.412 0.000 2.645 320 H HA 0.217 4.774 4.556 0.001 0.000 0.257 320 H C -2.019 173.170 175.328 -0.232 0.000 1.269 320 H CA -1.819 53.938 56.048 -0.485 0.000 1.409 320 H CB 1.202 30.183 29.762 -1.302 0.000 1.434 320 H HN -0.061 nan 8.280 nan 0.000 0.505 321 P HA -0.094 nan 4.420 nan 0.000 0.226 321 P C 1.055 178.419 177.300 0.106 0.000 1.153 321 P CA 0.933 64.053 63.100 0.034 0.000 0.777 321 P CB 0.394 32.103 31.700 0.014 0.000 0.794 322 T N -3.451 111.192 114.554 0.148 0.000 3.067 322 T HA -0.038 4.313 4.350 0.001 0.000 0.261 322 T C 0.265 175.150 174.700 0.308 0.000 1.110 322 T CA 0.048 62.265 62.100 0.195 0.000 1.113 322 T CB -0.433 68.545 68.868 0.184 0.000 0.917 322 T HN 0.015 nan 8.240 nan 0.000 0.499 323 W N 2.966 124.307 121.300 0.067 0.000 2.264 323 W HA 0.525 5.186 4.660 0.001 0.000 0.331 323 W C 1.152 177.703 176.519 0.053 0.000 1.364 323 W CA -0.987 56.389 57.345 0.050 0.000 1.253 323 W CB -0.293 29.212 29.460 0.075 0.000 1.215 323 W HN 0.138 nan 8.180 nan 0.000 0.561 324 G N 1.859 110.759 108.800 0.168 0.000 2.588 324 G HA2 -0.001 3.960 3.960 0.001 0.000 0.278 324 G HA3 -0.001 3.960 3.960 0.001 0.000 0.278 324 G C 0.431 175.409 174.900 0.130 0.000 1.307 324 G CA -0.019 45.149 45.100 0.114 0.000 1.016 324 G HN 0.492 nan 8.290 nan 0.000 0.503 325 D N -1.175 119.294 120.400 0.115 0.000 2.097 325 D HA -0.125 4.515 4.640 0.001 0.000 0.195 325 D C 2.177 178.546 176.300 0.114 0.000 0.989 325 D CA 1.371 55.447 54.000 0.126 0.000 0.827 325 D CB 0.145 41.020 40.800 0.125 0.000 0.966 325 D HN 0.329 nan 8.370 nan 0.000 0.456 326 E N 0.199 120.439 120.200 0.067 0.000 2.038 326 E HA -0.240 4.111 4.350 0.001 0.000 0.195 326 E C 2.086 178.706 176.600 0.034 0.000 1.000 326 E CA 0.909 57.346 56.400 0.062 0.000 0.803 326 E CB -0.401 29.314 29.700 0.025 0.000 0.750 326 E HN 0.514 nan 8.360 nan 0.000 0.448 327 Q N 0.255 119.980 119.800 -0.124 0.000 2.124 327 Q HA -0.106 4.235 4.340 0.001 0.000 0.202 327 Q C 2.435 178.330 176.000 -0.175 0.000 0.977 327 Q CA 0.818 56.389 55.803 -0.387 0.000 0.850 327 Q CB -0.029 28.158 28.738 -0.919 0.000 0.901 327 Q HN 0.214 nan 8.270 nan 0.000 0.429 328 L N -0.390 120.927 121.223 0.157 0.000 2.083 328 L HA -0.157 4.183 4.340 0.001 0.000 0.209 328 L C 2.194 179.209 176.870 0.241 0.000 1.083 328 L CA 1.022 56.086 54.840 0.373 0.000 0.752 328 L CB -0.365 41.910 42.059 0.360 0.000 0.899 328 L HN 0.313 nan 8.230 nan 0.000 0.433 329 F N 0.210 120.204 119.950 0.073 0.000 2.098 329 F HA -0.183 4.344 4.527 0.001 0.000 0.294 329 F C 2.702 178.517 175.800 0.025 0.000 1.107 329 F CA 1.302 59.349 58.000 0.078 0.000 1.234 329 F CB -0.187 38.831 39.000 0.030 0.000 1.002 329 F HN -0.025 nan 8.300 nan 0.000 0.472 330 Q N 0.221 120.014 119.800 -0.012 0.000 2.096 330 Q HA -0.167 4.173 4.340 0.001 0.000 0.204 330 Q C 2.206 178.089 176.000 -0.194 0.000 0.982 330 Q CA 2.367 58.077 55.803 -0.154 0.000 0.850 330 Q CB -1.288 27.420 28.738 -0.050 0.000 0.901 330 Q HN 0.439 nan 8.270 nan 0.000 0.422 331 T N 1.315 115.812 114.554 -0.096 0.000 2.777 331 T HA -0.067 4.284 4.350 0.001 0.000 0.266 331 T C 1.908 176.624 174.700 0.027 0.000 1.040 331 T CA 1.382 63.486 62.100 0.007 0.000 1.141 331 T CB -0.282 68.720 68.868 0.222 0.000 0.868 331 T HN 0.416 nan 8.240 nan 0.000 0.444 332 A N 1.668 124.445 122.820 -0.072 0.000 1.972 332 A HA -0.105 4.216 4.320 0.001 0.000 0.219 332 A C 2.296 179.798 177.584 -0.137 0.000 1.169 332 A CA 1.771 53.699 52.037 -0.183 0.000 0.635 332 A CB -0.590 18.093 19.000 -0.528 0.000 0.810 332 A HN 0.445 nan 8.150 nan 0.000 0.446 333 R N -0.325 120.022 120.500 -0.254 0.000 2.073 333 R HA -0.056 4.284 4.340 0.001 0.000 0.234 333 R C 1.913 178.262 176.300 0.080 0.000 1.134 333 R CA 1.630 57.623 56.100 -0.178 0.000 0.952 333 R CB -0.443 29.471 30.300 -0.644 0.000 0.850 333 R HN 0.476 nan 8.270 nan 0.000 0.433 334 L N 0.420 121.688 121.223 0.076 0.000 2.083 334 L HA -0.171 4.169 4.340 0.001 0.000 0.209 334 L C 2.385 179.575 176.870 0.533 0.000 1.083 334 L CA 1.185 56.173 54.840 0.247 0.000 0.752 334 L CB -0.306 41.785 42.059 0.054 0.000 0.899 334 L HN 0.263 nan 8.230 nan 0.000 0.433 335 I N -0.903 119.950 120.570 0.472 0.000 2.252 335 I HA -0.282 3.889 4.170 0.001 0.000 0.245 335 I C 2.232 178.550 176.117 0.335 0.000 1.102 335 I CA 1.076 62.629 61.300 0.421 0.000 1.385 335 I CB -0.144 38.036 38.000 0.301 0.000 1.064 335 I HN 0.155 nan 8.210 nan 0.000 0.414 336 L N 0.134 121.563 121.223 0.342 0.000 2.201 336 L HA -0.133 4.207 4.340 0.001 0.000 0.212 336 L C 2.245 179.326 176.870 0.352 0.000 1.105 336 L CA 1.620 56.716 54.840 0.427 0.000 0.775 336 L CB -0.432 41.925 42.059 0.497 0.000 0.913 336 L HN 0.168 nan 8.230 nan 0.000 0.440 337 I N -1.163 119.599 120.570 0.319 0.000 2.252 337 I HA -0.205 3.965 4.170 0.001 0.000 0.245 337 I C 2.471 178.766 176.117 0.296 0.000 1.102 337 I CA 1.394 62.863 61.300 0.281 0.000 1.385 337 I CB -0.872 37.306 38.000 0.297 0.000 1.064 337 I HN 0.317 nan 8.210 nan 0.000 0.414 338 G N 0.106 109.129 108.800 0.372 0.000 2.402 338 G HA2 -0.198 3.763 3.960 0.001 0.000 0.216 338 G HA3 -0.198 3.763 3.960 0.001 0.000 0.216 338 G C 1.527 176.554 174.900 0.211 0.000 1.162 338 G CA 0.428 45.729 45.100 0.334 0.000 0.777 338 G HN 0.378 nan 8.290 nan 0.000 0.539 339 E N -0.005 120.352 120.200 0.262 0.000 2.085 339 E HA -0.117 4.234 4.350 0.001 0.000 0.194 339 E C 2.787 179.584 176.600 0.328 0.000 0.994 339 E CA 1.495 58.066 56.400 0.284 0.000 0.801 339 E CB -0.173 29.748 29.700 0.367 0.000 0.743 339 E HN 0.380 nan 8.360 nan 0.000 0.453 340 T N 1.468 116.247 114.554 0.375 0.000 2.708 340 T HA -0.125 4.225 4.350 0.001 0.000 0.266 340 T C 1.999 176.777 174.700 0.129 0.000 1.037 340 T CA 1.033 63.343 62.100 0.349 0.000 1.146 340 T CB -0.230 68.757 68.868 0.198 0.000 0.865 340 T HN 0.132 nan 8.240 nan 0.000 0.435 341 I N 0.566 121.124 120.570 -0.019 0.000 2.614 341 I HA -0.100 4.071 4.170 0.001 0.000 0.258 341 I C 2.660 178.433 176.117 -0.573 0.000 1.189 341 I CA 0.851 61.977 61.300 -0.290 0.000 1.462 341 I CB -0.315 37.447 38.000 -0.398 0.000 1.092 341 I HN 0.054 nan 8.210 nan 0.000 0.442 342 K N 1.669 121.824 120.400 -0.408 0.000 2.007 342 K HA -0.040 4.280 4.320 0.001 0.000 0.206 342 K C 2.067 178.664 176.600 -0.005 0.000 1.047 342 K CA 1.505 57.678 56.287 -0.190 0.000 0.937 342 K CB -0.248 32.290 32.500 0.063 0.000 0.718 342 K HN 0.245 nan 8.250 nan 0.000 0.438 343 I N 0.862 121.476 120.570 0.074 0.000 2.163 343 I HA -0.284 3.887 4.170 0.001 0.000 0.243 343 I C 2.352 178.513 176.117 0.073 0.000 1.085 343 I CA 0.895 62.269 61.300 0.124 0.000 1.347 343 I CB -0.298 37.831 38.000 0.214 0.000 1.044 343 I HN -0.130 nan 8.210 nan 0.000 0.408 344 V N 1.055 120.954 119.914 -0.025 0.000 2.287 344 V HA -0.300 3.820 4.120 0.001 0.000 0.248 344 V C 2.264 178.372 176.094 0.023 0.000 1.053 344 V CA 2.027 64.233 62.300 -0.156 0.000 1.027 344 V CB -0.429 31.138 31.823 -0.428 0.000 0.646 344 V HN 0.328 nan 8.190 nan 0.000 0.447 345 I N -0.535 120.047 120.570 0.020 0.000 2.162 345 I HA -0.180 3.991 4.170 0.001 0.000 0.238 345 I C 2.493 178.676 176.117 0.110 0.000 1.076 345 I CA 1.590 62.943 61.300 0.088 0.000 1.353 345 I CB -0.361 37.696 38.000 0.095 0.000 1.063 345 I HN 0.285 nan 8.210 nan 0.000 0.408 346 E N -0.006 120.260 120.200 0.110 0.000 2.347 346 E HA -0.136 4.215 4.350 0.001 0.000 0.196 346 E C 1.501 178.173 176.600 0.121 0.000 1.008 346 E CA 0.753 57.222 56.400 0.115 0.000 0.852 346 E CB 0.273 30.046 29.700 0.120 0.000 0.783 346 E HN 0.539 nan 8.360 nan 0.000 0.505 347 E N -1.315 118.982 120.200 0.161 0.000 2.564 347 E HA -0.014 4.337 4.350 0.001 0.000 0.203 347 E C 1.352 178.081 176.600 0.215 0.000 0.867 347 E CA -0.144 56.410 56.400 0.258 0.000 1.250 347 E CB -0.052 29.877 29.700 0.383 0.000 1.215 347 E HN 0.095 nan 8.360 nan 0.000 0.566 348 Y N 1.987 122.189 120.300 -0.164 0.000 2.109 348 Y HA -0.202 4.348 4.550 0.001 0.000 0.285 348 Y C 2.120 177.972 175.900 -0.082 0.000 1.131 348 Y CA 1.581 59.348 58.100 -0.555 0.000 1.121 348 Y CB -0.111 37.910 38.460 -0.732 0.000 0.987 348 Y HN -0.196 nan 8.280 nan 0.000 0.495 349 V N 0.580 120.598 119.914 0.173 0.000 2.548 349 V HA -0.253 3.867 4.120 0.001 0.000 0.249 349 V C 2.226 178.292 176.094 -0.046 0.000 1.055 349 V CA 1.886 64.254 62.300 0.113 0.000 1.065 349 V CB -0.774 31.171 31.823 0.204 0.000 0.681 349 V HN 0.395 nan 8.190 nan 0.000 0.462 350 Q N 0.673 120.458 119.800 -0.024 0.000 2.030 350 Q HA -0.279 4.062 4.340 0.001 0.000 0.204 350 Q C 2.251 178.146 176.000 -0.175 0.000 0.986 350 Q CA 2.454 58.209 55.803 -0.080 0.000 0.843 350 Q CB -0.417 28.318 28.738 -0.005 0.000 0.904 350 Q HN 0.660 nan 8.270 nan 0.000 0.420 351 Q N -0.432 119.286 119.800 -0.136 0.000 2.050 351 Q HA -0.151 4.189 4.340 0.001 0.000 0.202 351 Q C 1.856 177.622 176.000 -0.391 0.000 0.980 351 Q CA 1.707 57.381 55.803 -0.216 0.000 0.840 351 Q CB -0.664 28.012 28.738 -0.103 0.000 0.898 351 Q HN 0.468 nan 8.270 nan 0.000 0.424 352 L N 0.232 121.210 121.223 -0.409 0.000 2.046 352 L HA -0.134 4.207 4.340 0.001 0.000 0.208 352 L C 2.341 178.917 176.870 -0.490 0.000 1.077 352 L CA 2.373 56.920 54.840 -0.489 0.000 0.747 352 L CB -0.904 40.997 42.059 -0.263 0.000 0.896 352 L HN 0.498 nan 8.230 nan 0.000 0.432 353 S N -1.190 114.230 115.700 -0.466 0.000 2.395 353 S HA 0.109 4.579 4.470 0.001 0.000 0.225 353 S C 1.692 175.877 174.600 -0.691 0.000 1.027 353 S CA 0.504 58.279 58.200 -0.709 0.000 0.965 353 S CB -0.737 61.792 63.200 -1.119 0.000 0.812 353 S HN 0.751 nan 8.310 nan 0.000 0.482 354 G N 0.445 108.914 108.800 -0.553 0.000 2.160 354 G HA2 -0.275 3.685 3.960 0.001 0.000 0.251 354 G HA3 -0.275 3.685 3.960 0.001 0.000 0.251 354 G C -0.070 174.519 174.900 -0.517 0.000 1.008 354 G CA 0.270 45.067 45.100 -0.505 0.000 0.724 354 G HN 0.676 nan 8.290 nan 0.000 0.514 355 Y N -1.127 118.896 120.300 -0.462 0.000 2.411 355 Y HA 0.378 4.929 4.550 0.002 0.000 0.333 355 Y C 1.570 177.091 175.900 -0.632 0.000 1.186 355 Y CA -1.026 56.750 58.100 -0.539 0.000 1.381 355 Y CB 0.411 38.639 38.460 -0.386 0.000 1.273 355 Y HN 0.028 nan 8.280 nan 0.000 0.546 356 F N 1.461 121.113 119.950 -0.497 0.000 2.558 356 F HA -0.039 4.489 4.527 0.001 0.000 0.298 356 F C 0.797 176.298 175.800 -0.500 0.000 1.119 356 F CA 0.107 57.797 58.000 -0.517 0.000 1.451 356 F CB -0.118 38.514 39.000 -0.612 0.000 1.091 356 F HN 0.308 nan 8.300 nan 0.000 0.563 357 L N 1.340 122.200 121.223 -0.604 0.000 2.410 357 L HA 0.098 4.439 4.340 0.001 0.000 0.273 357 L C 0.316 177.141 176.870 -0.076 0.000 1.144 357 L CA 0.085 54.738 54.840 -0.311 0.000 0.863 357 L CB 0.349 42.134 42.059 -0.457 0.000 1.140 357 L HN 0.037 nan 8.230 nan 0.000 0.463 358 Q N 5.620 125.433 119.800 0.022 0.000 2.324 358 Q HA 0.223 4.564 4.340 0.001 0.000 0.257 358 Q C -0.738 175.295 176.000 0.054 0.000 1.080 358 Q CA -0.167 55.660 55.803 0.040 0.000 0.907 358 Q CB 0.497 29.270 28.738 0.057 0.000 1.274 358 Q HN 0.637 nan 8.270 nan 0.000 0.434 359 L N 3.238 124.497 121.223 0.061 0.000 2.490 359 L HA 0.126 4.466 4.340 0.001 0.000 0.274 359 L C 0.395 177.320 176.870 0.092 0.000 1.201 359 L CA 0.627 55.519 54.840 0.086 0.000 0.869 359 L CB 0.110 42.229 42.059 0.101 0.000 1.123 359 L HN 0.384 nan 8.230 nan 0.000 0.484 360 K N 3.464 123.921 120.400 0.094 0.000 2.471 360 K HA 0.282 4.603 4.320 0.001 0.000 0.252 360 K C -1.329 175.343 176.600 0.119 0.000 0.938 360 K CA -0.710 55.633 56.287 0.092 0.000 0.796 360 K CB 1.447 33.975 32.500 0.047 0.000 1.161 360 K HN 0.325 nan 8.250 nan 0.000 0.425 361 F N 4.700 124.644 119.950 -0.010 0.000 2.405 361 F HA 0.273 4.801 4.527 0.001 0.000 0.358 361 F C -0.860 174.876 175.800 -0.107 0.000 1.151 361 F CA -0.436 57.533 58.000 -0.052 0.000 1.161 361 F CB 0.398 39.387 39.000 -0.018 0.000 1.245 361 F HN 0.483 nan 8.300 nan 0.000 0.545 362 D N 8.012 128.054 120.400 -0.596 0.000 2.479 362 D HA 0.365 5.005 4.640 0.001 0.000 0.246 362 D C -2.274 173.545 176.300 -0.801 0.000 1.336 362 D CA -2.124 51.439 54.000 -0.728 0.000 0.967 362 D CB 2.193 42.779 40.800 -0.357 0.000 1.275 362 D HN 0.165 nan 8.370 nan 0.000 0.577 363 P HA -0.057 nan 4.420 nan 0.000 0.222 363 P C 0.676 177.435 177.300 -0.901 0.000 1.147 363 P CA 0.777 63.336 63.100 -0.902 0.000 0.790 363 P CB 0.346 31.327 31.700 -1.197 0.000 0.780 364 E N -0.733 118.818 120.200 -1.081 0.000 2.409 364 E HA -0.086 4.265 4.350 0.001 0.000 0.198 364 E C 1.696 177.959 176.600 -0.562 0.000 1.024 364 E CA 0.419 56.059 56.400 -1.267 0.000 0.861 364 E CB -0.493 28.790 29.700 -0.696 0.000 0.788 364 E HN 0.315 nan 8.360 nan 0.000 0.521 365 L N 0.153 121.154 121.223 -0.370 0.000 2.093 365 L HA -0.147 4.194 4.340 0.001 0.000 0.208 365 L C 1.983 178.806 176.870 -0.079 0.000 1.085 365 L CA 0.858 55.597 54.840 -0.167 0.000 0.755 365 L CB -0.092 41.881 42.059 -0.143 0.000 0.904 365 L HN 0.174 nan 8.230 nan 0.000 0.435 366 L N -1.442 119.728 121.223 -0.089 0.000 2.612 366 L HA -0.001 4.340 4.340 0.001 0.000 0.230 366 L C 1.513 178.564 176.870 0.302 0.000 1.140 366 L CA -0.302 54.548 54.840 0.017 0.000 0.896 366 L CB -0.122 41.804 42.059 -0.221 0.000 1.065 366 L HN 0.144 nan 8.230 nan 0.000 0.447 367 F N 0.289 120.256 119.950 0.029 0.000 2.604 367 F HA 0.061 4.589 4.527 0.001 0.000 0.298 367 F C 2.100 177.940 175.800 0.066 0.000 1.131 367 F CA 0.491 58.535 58.000 0.075 0.000 1.457 367 F CB -0.922 38.119 39.000 0.069 0.000 1.095 367 F HN 0.030 nan 8.300 nan 0.000 0.574 368 G N -0.792 108.144 108.800 0.226 0.000 2.497 368 G HA2 0.280 4.241 3.960 0.001 0.000 0.210 368 G HA3 0.280 4.241 3.960 0.001 0.000 0.210 368 G C 0.951 175.916 174.900 0.108 0.000 1.177 368 G CA 0.628 45.810 45.100 0.138 0.000 0.822 368 G HN 0.380 nan 8.290 nan 0.000 0.550 369 A N -0.315 122.570 122.820 0.107 0.000 2.274 369 A HA 0.670 4.990 4.320 0.001 0.000 0.297 369 A C -0.128 177.524 177.584 0.113 0.000 1.191 369 A CA -0.441 51.650 52.037 0.091 0.000 0.889 369 A CB 0.331 19.381 19.000 0.083 0.000 1.294 369 A HN 0.329 nan 8.150 nan 0.000 0.506 370 Q N -0.567 119.287 119.800 0.091 0.000 2.296 370 Q HA 0.538 4.879 4.340 0.001 0.000 0.257 370 Q C -1.745 174.323 176.000 0.113 0.000 0.942 370 Q CA 0.368 56.218 55.803 0.079 0.000 0.939 370 Q CB 1.224 29.975 28.738 0.023 0.000 1.198 370 Q HN 0.488 nan 8.270 nan 0.000 0.429 371 F N 1.373 121.262 119.950 -0.102 0.000 2.581 371 F HA 0.235 4.763 4.527 0.001 0.000 0.311 371 F C -1.089 174.521 175.800 -0.316 0.000 1.113 371 F CA -0.830 57.031 58.000 -0.233 0.000 0.935 371 F CB 1.972 40.772 39.000 -0.334 0.000 1.232 371 F HN 0.304 nan 8.300 nan 0.000 0.445 372 Q N 5.102 124.504 119.800 -0.662 0.000 2.331 372 Q HA 0.189 4.530 4.340 0.001 0.000 0.257 372 Q C -1.310 174.480 176.000 -0.350 0.000 0.957 372 Q CA -0.344 55.234 55.803 -0.374 0.000 0.923 372 Q CB 1.176 29.735 28.738 -0.298 0.000 1.212 372 Q HN 0.640 nan 8.270 nan 0.000 0.443 373 Y N 2.199 122.561 120.300 0.104 0.000 2.735 373 Y HA 0.224 4.775 4.550 0.001 0.000 0.354 373 Y C 0.728 176.654 175.900 0.043 0.000 1.288 373 Y CA -0.125 58.064 58.100 0.147 0.000 1.836 373 Y CB 0.300 38.831 38.460 0.120 0.000 1.920 373 Y HN 0.259 nan 8.280 nan 0.000 0.438 374 R N 2.070 122.617 120.500 0.079 0.000 2.536 374 R HA 0.390 4.730 4.340 0.001 0.000 0.269 374 R C -2.083 174.207 176.300 -0.017 0.000 1.113 374 R CA -0.631 55.484 56.100 0.025 0.000 0.948 374 R CB 1.262 31.564 30.300 0.005 0.000 1.237 374 R HN 0.458 nan 8.270 nan 0.000 0.441 375 N N 1.558 120.250 118.700 -0.014 0.000 2.235 375 N HA 0.493 5.234 4.740 0.001 0.000 0.293 375 N C -1.932 173.535 175.510 -0.071 0.000 1.083 375 N CA -0.717 52.319 53.050 -0.024 0.000 0.801 375 N CB 1.883 40.378 38.487 0.013 0.000 1.559 375 N HN 0.544 nan 8.380 nan 0.000 0.472 376 R N 2.860 123.313 120.500 -0.078 0.000 2.515 376 R HA 0.511 4.852 4.340 0.001 0.000 0.291 376 R C -1.454 174.897 176.300 0.085 0.000 1.046 376 R CA -0.540 55.455 56.100 -0.175 0.000 0.914 376 R CB 0.500 30.627 30.300 -0.288 0.000 1.191 376 R HN 0.566 nan 8.270 nan 0.000 0.435 377 I N 3.302 124.088 120.570 0.360 0.000 2.618 377 I HA 0.261 4.431 4.170 0.001 0.000 0.284 377 I C 0.512 176.832 176.117 0.337 0.000 1.146 377 I CA 0.646 62.147 61.300 0.335 0.000 1.425 377 I CB 1.250 39.460 38.000 0.351 0.000 1.383 377 I HN 0.725 nan 8.210 nan 0.000 0.562 378 A N 7.274 130.187 122.820 0.155 0.000 2.316 378 A HA 0.453 4.774 4.320 0.001 0.000 0.284 378 A C 1.216 178.758 177.584 -0.070 0.000 1.115 378 A CA -0.624 51.453 52.037 0.066 0.000 0.812 378 A CB 0.418 19.413 19.000 -0.008 0.000 1.064 378 A HN 0.884 nan 8.150 nan 0.000 0.489 379 M N 1.095 120.633 119.600 -0.102 0.000 2.279 379 M HA -0.115 4.366 4.480 0.001 0.000 0.264 379 M C 1.352 177.505 176.300 -0.246 0.000 1.062 379 M CA 2.098 57.220 55.300 -0.296 0.000 1.099 379 M CB -0.591 31.928 32.600 -0.134 0.000 1.394 379 M HN 0.763 nan 8.290 nan 0.000 0.426 380 E N 0.369 120.461 120.200 -0.180 0.000 2.208 380 E HA -0.150 4.201 4.350 0.001 0.000 0.193 380 E C 1.821 178.381 176.600 -0.066 0.000 0.988 380 E CA 0.992 57.236 56.400 -0.260 0.000 0.828 380 E CB -0.845 28.636 29.700 -0.366 0.000 0.763 380 E HN 0.575 nan 8.360 nan 0.000 0.478 381 F N 3.144 122.815 119.950 -0.465 0.000 2.259 381 F HA -0.043 4.485 4.527 0.001 0.000 0.298 381 F C 1.929 177.644 175.800 -0.141 0.000 1.088 381 F CA 0.738 58.506 58.000 -0.386 0.000 1.358 381 F CB -0.414 38.181 39.000 -0.675 0.000 1.040 381 F HN -0.025 nan 8.300 nan 0.000 0.505 382 N N 0.358 118.837 118.700 -0.368 0.000 2.058 382 N HA -0.177 4.564 4.740 0.001 0.000 0.191 382 N C 1.793 177.053 175.510 -0.417 0.000 1.037 382 N CA 1.428 53.928 53.050 -0.917 0.000 0.848 382 N CB -0.212 37.808 38.487 -0.779 0.000 1.021 382 N HN 0.378 nan 8.380 nan 0.000 0.422 383 Q N 0.698 120.424 119.800 -0.124 0.000 2.124 383 Q HA -0.140 4.201 4.340 0.001 0.000 0.202 383 Q C 2.283 178.455 176.000 0.286 0.000 0.977 383 Q CA 0.727 56.568 55.803 0.062 0.000 0.850 383 Q CB -0.391 28.449 28.738 0.171 0.000 0.901 383 Q HN 0.439 nan 8.270 nan 0.000 0.429 384 L N -0.645 120.748 121.223 0.283 0.000 2.093 384 L HA -0.167 4.174 4.340 0.001 0.000 0.208 384 L C 1.912 178.867 176.870 0.142 0.000 1.085 384 L CA 1.204 56.213 54.840 0.282 0.000 0.755 384 L CB -0.172 42.118 42.059 0.386 0.000 0.904 384 L HN 0.089 nan 8.230 nan 0.000 0.435 385 Y N -0.697 119.426 120.300 -0.295 0.000 2.529 385 Y HA -0.019 4.531 4.550 0.001 0.000 0.290 385 Y C 0.536 175.930 175.900 -0.842 0.000 1.177 385 Y CA 0.102 57.684 58.100 -0.863 0.000 1.305 385 Y CB -0.289 37.630 38.460 -0.901 0.000 1.047 385 Y HN 0.249 nan 8.280 nan 0.000 0.522 386 H N -0.306 118.681 119.070 -0.138 0.000 3.792 386 H HA -0.060 4.497 4.556 0.001 0.000 0.229 386 H C -0.661 174.937 175.328 0.450 0.000 1.632 386 H CA 0.030 56.171 56.048 0.155 0.000 1.522 386 H CB -0.783 29.086 29.762 0.179 0.000 1.822 386 H HN 0.199 nan 8.280 nan 0.000 0.672 387 W N 2.447 123.860 121.300 0.189 0.000 1.603 387 W HA 0.138 4.799 4.660 0.001 0.000 0.392 387 W C 0.572 177.156 176.519 0.108 0.000 0.661 387 W CA -0.695 56.737 57.345 0.146 0.000 2.021 387 W CB -0.747 28.778 29.460 0.109 0.000 1.759 387 W HN 0.708 nan 8.180 nan 0.000 0.334 388 H N 0.372 119.648 119.070 0.344 0.000 2.495 388 H HA -0.036 4.521 4.556 0.001 0.000 0.287 388 H C -0.670 174.785 175.328 0.211 0.000 1.033 388 H CA 0.866 57.065 56.048 0.250 0.000 1.307 388 H CB -0.941 28.947 29.762 0.210 0.000 1.401 388 H HN 0.075 nan 8.280 nan 0.000 0.555 389 P HA -0.111 nan 4.420 nan 0.000 0.223 389 P C 1.561 178.961 177.300 0.166 0.000 1.144 389 P CA 0.750 63.963 63.100 0.189 0.000 0.783 389 P CB -0.213 31.556 31.700 0.115 0.000 0.771 390 L N -2.382 118.951 121.223 0.183 0.000 2.131 390 L HA -0.097 4.244 4.340 0.001 0.000 0.210 390 L C 1.350 178.292 176.870 0.121 0.000 1.092 390 L CA 0.787 55.716 54.840 0.148 0.000 0.759 390 L CB -0.569 41.609 42.059 0.199 0.000 0.903 390 L HN 0.068 nan 8.230 nan 0.000 0.435 391 M N 0.949 120.630 119.600 0.135 0.000 2.217 391 M HA 0.213 4.694 4.480 0.001 0.000 0.354 391 M C -2.069 174.273 176.300 0.070 0.000 1.225 391 M CA -1.679 53.673 55.300 0.086 0.000 1.137 391 M CB 0.231 32.973 32.600 0.236 0.000 1.576 391 M HN -0.197 nan 8.290 nan 0.000 0.461 392 P HA 0.216 nan 4.420 nan 0.000 0.282 392 P C -0.066 177.078 177.300 -0.261 0.000 1.287 392 P CA -0.266 62.615 63.100 -0.364 0.000 0.792 392 P CB 0.958 32.265 31.700 -0.656 0.000 1.163 393 D N -1.352 118.854 120.400 -0.322 0.000 2.183 393 D HA -0.029 4.611 4.640 0.001 0.000 0.203 393 D C 0.830 177.151 176.300 0.034 0.000 0.969 393 D CA 1.454 55.435 54.000 -0.032 0.000 0.842 393 D CB 0.088 40.840 40.800 -0.079 0.000 0.957 393 D HN 0.478 nan 8.370 nan 0.000 0.484 394 S N -1.298 114.235 115.700 -0.280 0.000 2.638 394 S HA 0.594 5.065 4.470 0.001 0.000 0.274 394 S C -1.117 173.150 174.600 -0.554 0.000 1.157 394 S CA -0.984 57.063 58.200 -0.256 0.000 0.826 394 S CB 1.174 64.340 63.200 -0.057 0.000 1.139 394 S HN -0.092 nan 8.310 nan 0.000 0.474 395 F N 0.999 120.832 119.950 -0.194 0.000 2.402 395 F HA 0.583 5.110 4.527 0.001 0.000 0.355 395 F C 0.654 176.427 175.800 -0.045 0.000 1.123 395 F CA -0.632 57.238 58.000 -0.216 0.000 1.021 395 F CB 1.581 40.228 39.000 -0.588 0.000 1.160 395 F HN 0.573 nan 8.300 nan 0.000 0.451 396 R N 2.784 123.332 120.500 0.081 0.000 2.294 396 R HA 0.680 5.020 4.340 0.001 0.000 0.319 396 R C -1.564 174.743 176.300 0.011 0.000 0.984 396 R CA -0.421 55.699 56.100 0.034 0.000 0.861 396 R CB 1.149 31.430 30.300 -0.032 0.000 1.104 396 R HN 0.538 nan 8.270 nan 0.000 0.451 397 V N 5.963 125.872 119.914 -0.009 0.000 2.276 397 V HA 0.388 4.508 4.120 0.001 0.000 0.268 397 V C 0.968 176.984 176.094 -0.130 0.000 1.032 397 V CA 0.188 62.388 62.300 -0.167 0.000 0.810 397 V CB 0.221 31.837 31.823 -0.346 0.000 1.060 397 V HN 1.181 nan 8.190 nan 0.000 0.446 398 G N 6.614 115.350 108.800 -0.107 0.000 2.561 398 G HA2 -0.218 3.742 3.960 0.001 0.000 0.289 398 G HA3 -0.218 3.742 3.960 0.001 0.000 0.289 398 G C -0.953 173.923 174.900 -0.040 0.000 1.169 398 G CA 0.347 45.410 45.100 -0.061 0.000 0.980 398 G HN 0.557 nan 8.290 nan 0.000 0.550 399 P HA 0.189 nan 4.420 nan 0.000 0.245 399 P C 0.539 177.815 177.300 -0.040 0.000 1.212 399 P CA 1.026 64.113 63.100 -0.022 0.000 0.774 399 P CB 0.389 32.086 31.700 -0.005 0.000 0.999 400 Q N 0.944 120.715 119.800 -0.049 0.000 2.274 400 Q HA 0.441 4.781 4.340 0.001 0.000 0.260 400 Q C -1.390 174.482 176.000 -0.212 0.000 0.974 400 Q CA -0.419 55.297 55.803 -0.145 0.000 0.876 400 Q CB 1.215 29.880 28.738 -0.121 0.000 1.297 400 Q HN -0.170 nan 8.270 nan 0.000 0.446 401 D N 1.612 121.825 120.400 -0.313 0.000 2.502 401 D HA 0.358 4.999 4.640 0.001 0.000 0.249 401 D C -1.673 174.436 176.300 -0.319 0.000 1.092 401 D CA -0.326 53.547 54.000 -0.212 0.000 0.839 401 D CB 0.616 41.353 40.800 -0.105 0.000 1.264 401 D HN 0.428 nan 8.370 nan 0.000 0.511 402 Y N 1.882 122.243 120.300 0.101 0.000 2.341 402 Y HA 0.384 4.934 4.550 0.001 0.000 0.338 402 Y C 0.719 176.727 175.900 0.180 0.000 0.965 402 Y CA -0.812 57.382 58.100 0.155 0.000 1.108 402 Y CB 1.956 40.543 38.460 0.212 0.000 1.180 402 Y HN 0.288 nan 8.280 nan 0.000 0.458 403 S N 1.677 117.565 115.700 0.313 0.000 2.634 403 S HA 0.094 4.565 4.470 0.001 0.000 0.261 403 S C 1.069 175.852 174.600 0.304 0.000 1.271 403 S CA -0.220 58.151 58.200 0.284 0.000 0.985 403 S CB 0.439 63.782 63.200 0.239 0.000 0.968 403 S HN 0.674 nan 8.310 nan 0.000 0.568 404 Y N 0.875 121.245 120.300 0.117 0.000 2.207 404 Y HA -0.134 4.416 4.550 0.001 0.000 0.287 404 Y C 2.368 178.296 175.900 0.047 0.000 1.156 404 Y CA 1.910 60.026 58.100 0.027 0.000 1.182 404 Y CB -0.167 37.990 38.460 -0.505 0.000 0.979 404 Y HN 0.675 nan 8.280 nan 0.000 0.521 405 E N -0.220 120.108 120.200 0.213 0.000 2.106 405 E HA -0.200 4.151 4.350 0.001 0.000 0.192 405 E C 2.036 178.756 176.600 0.200 0.000 0.984 405 E CA 1.475 58.000 56.400 0.209 0.000 0.806 405 E CB -0.204 29.614 29.700 0.196 0.000 0.750 405 E HN 0.565 nan 8.360 nan 0.000 0.458 406 Q N -0.844 119.088 119.800 0.220 0.000 2.062 406 Q HA -0.036 4.305 4.340 0.001 0.000 0.196 406 Q C 1.890 177.975 176.000 0.141 0.000 0.967 406 Q CA 0.985 56.922 55.803 0.223 0.000 0.832 406 Q CB -0.168 28.789 28.738 0.365 0.000 0.899 406 Q HN 0.259 nan 8.270 nan 0.000 0.442 407 F N 1.187 121.117 119.950 -0.033 0.000 2.128 407 F HA -0.016 4.512 4.527 0.001 0.000 0.295 407 F C 0.400 176.025 175.800 -0.291 0.000 1.100 407 F CA 0.328 58.185 58.000 -0.238 0.000 1.260 407 F CB 0.023 38.758 39.000 -0.442 0.000 1.009 407 F HN -0.063 nan 8.300 nan 0.000 0.476 408 L N 1.299 122.353 121.223 -0.281 0.000 2.490 408 L HA 0.024 4.365 4.340 0.001 0.000 0.274 408 L C -0.010 176.642 176.870 -0.362 0.000 1.201 408 L CA 0.754 55.271 54.840 -0.538 0.000 0.869 408 L CB -0.548 41.208 42.059 -0.504 0.000 1.123 408 L HN 0.389 nan 8.230 nan 0.000 0.484 409 F N -0.124 119.707 119.950 -0.198 0.000 2.825 409 F HA -0.288 4.240 4.527 0.001 0.000 0.358 409 F C 0.948 176.685 175.800 -0.106 0.000 0.639 409 F CA 0.478 58.407 58.000 -0.119 0.000 1.153 409 F CB -1.862 37.115 39.000 -0.038 0.000 1.610 409 F HN 0.672 nan 8.300 nan 0.000 0.305 410 N N 1.475 120.128 118.700 -0.079 0.000 2.497 410 N HA 0.190 4.931 4.740 0.001 0.000 0.268 410 N C 1.172 176.640 175.510 -0.071 0.000 1.171 410 N CA 1.005 54.011 53.050 -0.074 0.000 0.948 410 N CB 1.249 39.648 38.487 -0.146 0.000 1.069 410 N HN 0.314 nan 8.380 nan 0.000 0.460 411 T N -0.565 113.984 114.554 -0.008 0.000 3.039 411 T HA -0.010 4.340 4.350 0.001 0.000 0.250 411 T C 1.703 176.364 174.700 -0.064 0.000 1.052 411 T CA 0.493 62.594 62.100 0.001 0.000 1.125 411 T CB -0.196 68.691 68.868 0.032 0.000 0.908 411 T HN 0.339 nan 8.240 nan 0.000 0.473 412 S N 0.602 116.259 115.700 -0.072 0.000 2.436 412 S HA 0.105 4.575 4.470 0.001 0.000 0.228 412 S C 2.001 176.536 174.600 -0.109 0.000 1.014 412 S CA 0.794 58.937 58.200 -0.095 0.000 0.950 412 S CB -0.599 62.556 63.200 -0.076 0.000 0.784 412 S HN 0.528 nan 8.310 nan 0.000 0.504 413 M N 1.488 121.025 119.600 -0.105 0.000 2.080 413 M HA -0.118 4.363 4.480 0.001 0.000 0.260 413 M C 1.928 178.227 176.300 -0.002 0.000 1.068 413 M CA 1.825 57.079 55.300 -0.076 0.000 1.109 413 M CB -0.350 32.158 32.600 -0.152 0.000 1.342 413 M HN 0.538 nan 8.290 nan 0.000 0.405 414 L N -1.688 119.504 121.223 -0.053 0.000 2.291 414 L HA 0.028 4.369 4.340 0.001 0.000 0.214 414 L C 1.483 178.329 176.870 -0.040 0.000 1.120 414 L CA 0.647 55.480 54.840 -0.013 0.000 0.799 414 L CB -0.555 41.487 42.059 -0.028 0.000 0.925 414 L HN 0.156 nan 8.230 nan 0.000 0.446 415 V N -0.525 119.291 119.914 -0.163 0.000 3.174 415 V HA -0.013 4.108 4.120 0.001 0.000 0.254 415 V C 1.941 177.953 176.094 -0.135 0.000 1.120 415 V CA 0.947 63.087 62.300 -0.267 0.000 1.114 415 V CB -0.480 31.107 31.823 -0.394 0.000 0.756 415 V HN 0.337 nan 8.190 nan 0.000 0.467 416 D N 0.086 120.403 120.400 -0.138 0.000 2.097 416 D HA -0.134 4.507 4.640 0.001 0.000 0.197 416 D C 1.988 178.126 176.300 -0.271 0.000 0.984 416 D CA 1.808 55.667 54.000 -0.234 0.000 0.826 416 D CB -0.069 40.521 40.800 -0.349 0.000 0.973 416 D HN 0.560 nan 8.370 nan 0.000 0.460 417 Y N 0.037 120.319 120.300 -0.030 0.000 2.441 417 Y HA 0.287 4.838 4.550 0.001 0.000 0.288 417 Y C 1.690 177.590 175.900 -0.000 0.000 1.118 417 Y CA 0.541 58.629 58.100 -0.019 0.000 1.215 417 Y CB 0.429 38.863 38.460 -0.043 0.000 1.118 417 Y HN 0.027 nan 8.280 nan 0.000 0.547 418 G N -0.162 108.745 108.800 0.177 0.000 2.631 418 G HA2 -0.220 3.740 3.960 0.001 0.000 0.504 418 G HA3 -0.220 3.740 3.960 0.001 0.000 0.504 418 G C 0.346 175.322 174.900 0.126 0.000 1.306 418 G CA -0.422 44.791 45.100 0.189 0.000 0.897 418 G HN -0.046 nan 8.290 nan 0.000 0.520 419 V N 0.370 120.330 119.914 0.076 0.000 2.323 419 V HA -0.046 4.074 4.120 0.001 0.000 0.244 419 V C 2.719 178.779 176.094 -0.057 0.000 1.041 419 V CA 3.076 65.365 62.300 -0.019 0.000 1.025 419 V CB -0.796 30.973 31.823 -0.090 0.000 0.656 419 V HN 0.789 nan 8.190 nan 0.000 0.451 420 E N 0.973 121.147 120.200 -0.043 0.000 2.033 420 E HA -0.245 4.106 4.350 0.001 0.000 0.199 420 E C 2.254 178.820 176.600 -0.056 0.000 1.011 420 E CA 1.907 58.277 56.400 -0.050 0.000 0.815 420 E CB -0.673 29.010 29.700 -0.029 0.000 0.755 420 E HN 0.562 nan 8.360 nan 0.000 0.451 421 A N 0.128 122.930 122.820 -0.030 0.000 1.930 421 A HA -0.127 4.193 4.320 0.001 0.000 0.217 421 A C 2.109 179.575 177.584 -0.195 0.000 1.175 421 A CA 1.062 53.064 52.037 -0.058 0.000 0.627 421 A CB -0.475 18.555 19.000 0.052 0.000 0.815 421 A HN 0.165 nan 8.150 nan 0.000 0.443 422 L N -0.589 120.505 121.223 -0.216 0.000 2.093 422 L HA -0.077 4.264 4.340 0.001 0.000 0.208 422 L C 2.526 179.135 176.870 -0.435 0.000 1.085 422 L CA 1.220 55.798 54.840 -0.437 0.000 0.755 422 L CB -0.492 41.413 42.059 -0.256 0.000 0.904 422 L HN 0.196 nan 8.230 nan 0.000 0.435 423 V N -0.487 119.310 119.914 -0.194 0.000 2.343 423 V HA -0.306 3.814 4.120 0.001 0.000 0.247 423 V C 2.347 178.401 176.094 -0.067 0.000 1.051 423 V CA 1.998 64.237 62.300 -0.101 0.000 1.036 423 V CB -0.536 31.217 31.823 -0.117 0.000 0.654 423 V HN 0.537 nan 8.190 nan 0.000 0.451 424 D N 0.001 120.346 120.400 -0.091 0.000 2.144 424 D HA -0.154 4.487 4.640 0.001 0.000 0.199 424 D C 2.152 178.412 176.300 -0.066 0.000 0.984 424 D CA 1.562 55.542 54.000 -0.033 0.000 0.834 424 D CB 0.261 41.035 40.800 -0.043 0.000 0.955 424 D HN 0.418 nan 8.370 nan 0.000 0.465 425 A N 0.135 122.816 122.820 -0.231 0.000 1.873 425 A HA -0.133 4.188 4.320 0.001 0.000 0.215 425 A C 1.915 179.423 177.584 -0.126 0.000 1.186 425 A CA 0.990 52.852 52.037 -0.292 0.000 0.616 425 A CB -0.931 17.729 19.000 -0.566 0.000 0.823 425 A HN 0.219 nan 8.150 nan 0.000 0.442 426 F N 0.646 120.656 119.950 0.100 0.000 2.456 426 F HA 0.028 4.555 4.527 0.001 0.000 0.298 426 F C 2.453 178.373 175.800 0.199 0.000 1.104 426 F CA 0.871 58.993 58.000 0.205 0.000 1.435 426 F CB -0.655 38.551 39.000 0.342 0.000 1.078 426 F HN 0.092 nan 8.300 nan 0.000 0.546 427 S N -0.444 115.441 115.700 0.309 0.000 2.527 427 S HA 0.009 4.480 4.470 0.001 0.000 0.222 427 S C 1.893 176.650 174.600 0.262 0.000 0.985 427 S CA 0.432 58.816 58.200 0.307 0.000 0.921 427 S CB -0.063 63.322 63.200 0.309 0.000 0.772 427 S HN 0.377 nan 8.310 nan 0.000 0.529 428 R N 0.423 121.004 120.500 0.136 0.000 2.254 428 R HA 0.228 4.569 4.340 0.001 0.000 0.193 428 R C 0.855 177.178 176.300 0.038 0.000 0.929 428 R CA 0.044 56.150 56.100 0.011 0.000 1.038 428 R CB 0.259 30.521 30.300 -0.064 0.000 1.009 428 R HN 0.312 nan 8.270 nan 0.000 0.512 429 Q N 2.312 122.169 119.800 0.094 0.000 2.279 429 Q HA 0.220 4.560 4.340 0.001 0.000 0.256 429 Q C -2.446 173.618 176.000 0.108 0.000 0.937 429 Q CA -2.323 53.528 55.803 0.079 0.000 0.933 429 Q CB 1.332 30.121 28.738 0.084 0.000 1.189 429 Q HN -0.126 nan 8.270 nan 0.000 0.417 430 P HA 0.104 nan 4.420 nan 0.000 0.276 430 P C -1.296 176.116 177.300 0.187 0.000 1.230 430 P CA -0.059 63.122 63.100 0.134 0.000 0.776 430 P CB 1.076 32.866 31.700 0.149 0.000 0.888 431 A N 3.278 126.181 122.820 0.138 0.000 2.272 431 A HA 0.645 4.965 4.320 0.001 0.000 0.275 431 A C 0.669 178.329 177.584 0.126 0.000 1.096 431 A CA -0.048 52.069 52.037 0.134 0.000 0.822 431 A CB -0.190 18.858 19.000 0.080 0.000 1.088 431 A HN 0.562 nan 8.150 nan 0.000 0.495 432 G N -0.503 108.367 108.800 0.117 0.000 2.389 432 G HA2 0.489 4.450 3.960 0.001 0.000 0.317 432 G HA3 0.489 4.450 3.960 0.001 0.000 0.317 432 G C 0.121 174.956 174.900 -0.108 0.000 1.137 432 G CA -0.721 44.357 45.100 -0.038 0.000 0.870 432 G HN 0.909 nan 8.290 nan 0.000 0.496 433 R N 1.986 122.369 120.500 -0.195 0.000 2.484 433 R HA 0.079 4.420 4.340 0.001 0.000 0.293 433 R C 0.594 176.824 176.300 -0.117 0.000 1.023 433 R CA -0.329 55.659 56.100 -0.188 0.000 1.037 433 R CB 0.213 30.389 30.300 -0.206 0.000 0.951 433 R HN 0.457 nan 8.270 nan 0.000 0.418 434 I N 3.819 124.327 120.570 -0.104 0.000 2.233 434 I HA -0.060 4.111 4.170 0.001 0.000 0.243 434 I C 1.705 177.791 176.117 -0.052 0.000 1.093 434 I CA 1.701 62.970 61.300 -0.051 0.000 1.380 434 I CB -0.422 37.505 38.000 -0.123 0.000 1.067 434 I HN 0.841 nan 8.210 nan 0.000 0.413 435 G N -1.281 107.497 108.800 -0.035 0.000 2.494 435 G HA2 0.406 4.367 3.960 0.001 0.000 0.270 435 G HA3 0.406 4.367 3.960 0.001 0.000 0.270 435 G C 1.024 175.872 174.900 -0.086 0.000 1.423 435 G CA 0.145 45.210 45.100 -0.057 0.000 1.055 435 G HN 0.533 nan 8.290 nan 0.000 0.536 436 G N -1.542 107.203 108.800 -0.092 0.000 4.148 436 G HA2 0.308 4.269 3.960 0.001 0.000 0.221 436 G HA3 0.308 4.269 3.960 0.001 0.000 0.221 436 G C 1.244 176.093 174.900 -0.086 0.000 1.373 436 G CA 1.257 46.304 45.100 -0.088 0.000 0.940 436 G HN 2.812 nan 8.290 nan 0.000 0.610 437 G N -1.606 107.148 108.800 -0.077 0.000 2.362 437 G HA2 0.528 4.488 3.960 0.001 0.000 0.656 437 G HA3 0.528 4.488 3.960 0.001 0.000 0.656 437 G C -0.010 174.869 174.900 -0.034 0.000 1.376 437 G CA 0.271 45.340 45.100 -0.052 0.000 0.971 437 G HN 1.674 nan 8.290 nan 0.000 0.636 438 R N -0.693 119.800 120.500 -0.012 0.000 3.146 438 R HA -0.203 4.138 4.340 0.001 0.000 0.250 438 R C 0.373 176.667 176.300 -0.010 0.000 0.912 438 R CA 1.048 57.141 56.100 -0.011 0.000 0.633 438 R CB -1.162 29.127 30.300 -0.020 0.000 1.180 438 R HN 0.672 nan 8.270 nan 0.000 0.464 439 N N -0.063 118.642 118.700 0.009 0.000 1.986 439 N HA 0.149 4.890 4.740 0.001 0.000 0.227 439 N C -0.471 175.092 175.510 0.087 0.000 1.387 439 N CA -0.304 52.762 53.050 0.026 0.000 0.810 439 N CB 0.766 39.235 38.487 -0.031 0.000 1.140 439 N HN 0.450 nan 8.380 nan 0.000 0.504 440 I N 0.850 121.475 120.570 0.090 0.000 2.325 440 I HA 0.265 4.436 4.170 0.001 0.000 0.291 440 I C -0.229 175.951 176.117 0.105 0.000 1.019 440 I CA -0.517 60.859 61.300 0.127 0.000 1.302 440 I CB 0.541 38.622 38.000 0.136 0.000 1.401 440 I HN 0.041 nan 8.210 nan 0.000 0.485 441 D N 4.846 125.317 120.400 0.117 0.000 2.423 441 D HA -0.078 4.562 4.640 0.001 0.000 0.238 441 D C 1.300 177.569 176.300 -0.051 0.000 1.142 441 D CA 0.496 54.522 54.000 0.044 0.000 0.884 441 D CB 0.763 41.573 40.800 0.018 0.000 1.199 441 D HN 0.704 nan 8.370 nan 0.000 0.438 442 H N 0.690 119.687 119.070 -0.122 0.000 2.456 442 H HA -0.078 4.479 4.556 0.001 0.000 0.296 442 H C 1.292 176.514 175.328 -0.177 0.000 1.079 442 H CA 1.710 57.659 56.048 -0.166 0.000 1.322 442 H CB -0.320 29.306 29.762 -0.227 0.000 1.388 442 H HN 0.585 nan 8.280 nan 0.000 0.538 443 H N 0.463 119.125 119.070 -0.679 0.000 2.353 443 H HA 0.024 4.581 4.556 0.001 0.000 0.300 443 H C 1.362 176.672 175.328 -0.029 0.000 1.090 443 H CA 1.799 57.589 56.048 -0.430 0.000 1.327 443 H CB 0.118 29.383 29.762 -0.829 0.000 1.383 443 H HN 0.468 nan 8.280 nan 0.000 0.508 444 I N 0.434 121.042 120.570 0.064 0.000 3.928 444 I HA -0.028 4.143 4.170 0.001 0.000 0.335 444 I C 1.535 177.587 176.117 -0.108 0.000 1.325 444 I CA 0.013 61.351 61.300 0.064 0.000 1.107 444 I CB 0.346 38.474 38.000 0.213 0.000 1.014 444 I HN 0.241 nan 8.210 nan 0.000 0.400 445 L N 2.861 124.080 121.223 -0.006 0.000 2.265 445 L HA -0.185 4.155 4.340 0.001 0.000 0.215 445 L C 2.785 179.631 176.870 -0.040 0.000 1.117 445 L CA 1.949 56.780 54.840 -0.015 0.000 0.782 445 L CB -0.812 41.270 42.059 0.039 0.000 0.914 445 L HN 0.585 nan 8.230 nan 0.000 0.441 446 H N -1.797 117.269 119.070 -0.007 0.000 2.491 446 H HA -0.060 4.496 4.556 0.001 0.000 0.290 446 H C 1.985 177.288 175.328 -0.043 0.000 1.050 446 H CA 1.262 57.305 56.048 -0.008 0.000 1.309 446 H CB -0.879 28.894 29.762 0.018 0.000 1.392 446 H HN 0.247 nan 8.280 nan 0.000 0.554 447 V N 2.016 121.588 119.914 -0.571 0.000 2.270 447 V HA -0.212 3.908 4.120 0.001 0.000 0.245 447 V C 3.260 179.146 176.094 -0.347 0.000 1.043 447 V CA 1.680 63.708 62.300 -0.454 0.000 1.014 447 V CB -1.205 30.246 31.823 -0.621 0.000 0.645 447 V HN 0.625 nan 8.190 nan 0.000 0.447 448 A N 0.213 122.855 122.820 -0.297 0.000 1.917 448 A HA -0.204 4.117 4.320 0.001 0.000 0.219 448 A C 2.377 179.898 177.584 -0.105 0.000 1.182 448 A CA 2.415 54.365 52.037 -0.146 0.000 0.633 448 A CB -0.815 18.205 19.000 0.035 0.000 0.819 448 A HN 0.385 nan 8.150 nan 0.000 0.448 449 V N 0.320 120.195 119.914 -0.064 0.000 2.295 449 V HA -0.268 3.852 4.120 0.001 0.000 0.246 449 V C 2.129 178.187 176.094 -0.059 0.000 1.049 449 V CA 2.392 64.680 62.300 -0.020 0.000 1.024 449 V CB -1.064 30.772 31.823 0.021 0.000 0.648 449 V HN 0.501 nan 8.190 nan 0.000 0.447 450 D N 0.193 120.538 120.400 -0.092 0.000 2.144 450 D HA -0.124 4.516 4.640 0.001 0.000 0.199 450 D C 2.109 178.299 176.300 -0.184 0.000 0.984 450 D CA 1.150 55.091 54.000 -0.098 0.000 0.834 450 D CB -0.319 40.439 40.800 -0.069 0.000 0.955 450 D HN 0.286 nan 8.370 nan 0.000 0.465 451 V N 0.710 120.416 119.914 -0.348 0.000 2.295 451 V HA -0.235 3.886 4.120 0.001 0.000 0.246 451 V C 2.333 178.224 176.094 -0.338 0.000 1.049 451 V CA 1.285 63.254 62.300 -0.551 0.000 1.024 451 V CB -0.442 30.691 31.823 -1.150 0.000 0.648 451 V HN 0.235 nan 8.190 nan 0.000 0.447 452 I N -0.510 119.940 120.570 -0.199 0.000 2.179 452 I HA -0.233 3.938 4.170 0.001 0.000 0.242 452 I C 2.575 178.690 176.117 -0.004 0.000 1.088 452 I CA 1.609 62.899 61.300 -0.017 0.000 1.357 452 I CB -0.456 37.591 38.000 0.078 0.000 1.051 452 I HN 0.233 nan 8.210 nan 0.000 0.409 453 K N 0.406 120.792 120.400 -0.023 0.000 2.057 453 K HA -0.239 4.082 4.320 0.001 0.000 0.207 453 K C 2.117 178.711 176.600 -0.009 0.000 1.049 453 K CA 1.496 57.781 56.287 -0.004 0.000 0.931 453 K CB -0.179 32.318 32.500 -0.004 0.000 0.714 453 K HN 0.347 nan 8.250 nan 0.000 0.440 454 E N 0.553 120.727 120.200 -0.044 0.000 2.107 454 E HA -0.161 4.190 4.350 0.001 0.000 0.191 454 E C 2.068 178.654 176.600 -0.023 0.000 0.982 454 E CA 0.818 57.196 56.400 -0.037 0.000 0.809 454 E CB 0.062 29.717 29.700 -0.075 0.000 0.756 454 E HN 0.117 nan 8.360 nan 0.000 0.459 455 S N 0.370 116.051 115.700 -0.031 0.000 2.365 455 S HA -0.211 4.260 4.470 0.001 0.000 0.225 455 S C 1.965 176.593 174.600 0.046 0.000 1.039 455 S CA 1.548 59.755 58.200 0.011 0.000 1.033 455 S CB -0.159 63.074 63.200 0.055 0.000 0.887 455 S HN 0.267 nan 8.310 nan 0.000 0.447 456 R N -0.080 120.452 120.500 0.052 0.000 2.115 456 R HA 0.010 4.350 4.340 0.001 0.000 0.230 456 R C 2.268 178.598 176.300 0.050 0.000 1.111 456 R CA 1.400 57.538 56.100 0.063 0.000 0.976 456 R CB -0.452 29.885 30.300 0.062 0.000 0.870 456 R HN 0.339 nan 8.270 nan 0.000 0.445 457 V N 1.318 121.255 119.914 0.039 0.000 2.358 457 V HA -0.183 3.938 4.120 0.001 0.000 0.246 457 V C 2.093 178.213 176.094 0.042 0.000 1.047 457 V CA 1.542 63.866 62.300 0.040 0.000 1.035 457 V CB -0.344 31.502 31.823 0.038 0.000 0.658 457 V HN 0.279 nan 8.190 nan 0.000 0.452 458 L N -0.655 120.590 121.223 0.036 0.000 2.376 458 L HA 0.064 4.405 4.340 0.001 0.000 0.219 458 L C 1.097 177.993 176.870 0.043 0.000 1.133 458 L CA 0.450 55.311 54.840 0.034 0.000 0.816 458 L CB -0.449 41.619 42.059 0.016 0.000 0.933 458 L HN 0.313 nan 8.230 nan 0.000 0.449 459 R N 0.320 120.852 120.500 0.055 0.000 3.336 459 R HA -0.153 4.187 4.340 0.001 0.000 0.260 459 R C -0.362 175.993 176.300 0.092 0.000 1.032 459 R CA 0.170 56.313 56.100 0.071 0.000 0.693 459 R CB -2.390 27.945 30.300 0.058 0.000 1.134 459 R HN 0.326 nan 8.270 nan 0.000 0.433 460 L N 1.293 122.577 121.223 0.101 0.000 2.456 460 L HA 0.041 4.381 4.340 0.001 0.000 0.272 460 L C 1.456 178.453 176.870 0.211 0.000 1.189 460 L CA 0.362 55.291 54.840 0.147 0.000 0.846 460 L CB 0.368 42.467 42.059 0.067 0.000 1.111 460 L HN 0.192 nan 8.230 nan 0.000 0.475 461 Q N 3.711 123.668 119.800 0.262 0.000 2.421 461 Q HA 0.143 4.484 4.340 0.001 0.000 0.255 461 Q C -2.020 174.141 176.000 0.268 0.000 1.013 461 Q CA -1.639 54.253 55.803 0.148 0.000 0.895 461 Q CB 0.344 29.000 28.738 -0.137 0.000 1.271 461 Q HN 0.353 nan 8.270 nan 0.000 0.460 462 P HA -0.158 nan 4.420 nan 0.000 0.267 462 P C 0.096 177.589 177.300 0.322 0.000 1.201 462 P CA 0.259 63.481 63.100 0.202 0.000 0.775 462 P CB 0.410 32.166 31.700 0.093 0.000 0.854 463 F N 2.679 122.736 119.950 0.177 0.000 2.120 463 F HA -0.265 4.263 4.527 0.001 0.000 0.300 463 F C 1.807 177.722 175.800 0.192 0.000 1.095 463 F CA 1.938 60.059 58.000 0.202 0.000 1.249 463 F CB -0.701 38.313 39.000 0.024 0.000 0.995 463 F HN 0.235 nan 8.300 nan 0.000 0.480 464 N N 0.304 119.031 118.700 0.045 0.000 2.309 464 N HA -0.133 4.608 4.740 0.001 0.000 0.182 464 N C 1.732 177.175 175.510 -0.112 0.000 1.018 464 N CA 1.063 54.062 53.050 -0.085 0.000 0.876 464 N CB -0.335 38.139 38.487 -0.022 0.000 0.972 464 N HN 0.407 nan 8.380 nan 0.000 0.434 465 E N -0.116 120.025 120.200 -0.098 0.000 2.152 465 E HA -0.078 4.272 4.350 0.001 0.000 0.192 465 E C 1.464 177.972 176.600 -0.152 0.000 0.983 465 E CA 0.579 56.856 56.400 -0.205 0.000 0.818 465 E CB -0.240 29.207 29.700 -0.421 0.000 0.758 465 E HN 0.486 nan 8.360 nan 0.000 0.467 466 Y N 0.771 121.052 120.300 -0.032 0.000 2.373 466 Y HA -0.035 4.515 4.550 0.001 0.000 0.293 466 Y C 2.476 178.440 175.900 0.106 0.000 1.129 466 Y CA 0.906 59.082 58.100 0.127 0.000 1.226 466 Y CB 0.136 38.791 38.460 0.325 0.000 1.000 466 Y HN -0.054 nan 8.280 nan 0.000 0.549 467 R N 0.080 120.571 120.500 -0.016 0.000 2.062 467 R HA -0.122 4.219 4.340 0.001 0.000 0.229 467 R C 2.095 178.379 176.300 -0.028 0.000 1.128 467 R CA 1.344 57.382 56.100 -0.103 0.000 0.960 467 R CB -0.152 29.961 30.300 -0.312 0.000 0.855 467 R HN 0.263 nan 8.270 nan 0.000 0.432 468 K N 0.105 120.455 120.400 -0.083 0.000 2.063 468 K HA -0.204 4.116 4.320 0.001 0.000 0.208 468 K C 2.139 178.688 176.600 -0.085 0.000 1.048 468 K CA 1.410 57.630 56.287 -0.111 0.000 0.928 468 K CB -0.143 32.254 32.500 -0.171 0.000 0.713 468 K HN -0.086 nan 8.250 nan 0.000 0.442 469 R N 0.662 121.115 120.500 -0.079 0.000 2.120 469 R HA -0.069 4.271 4.340 0.001 0.000 0.234 469 R C 0.928 177.084 176.300 -0.239 0.000 1.123 469 R CA 1.378 57.379 56.100 -0.165 0.000 0.975 469 R CB -0.264 29.898 30.300 -0.230 0.000 0.866 469 R HN 0.082 nan 8.270 nan 0.000 0.446 470 F N -0.040 119.894 119.950 -0.028 0.000 2.713 470 F HA 0.316 4.843 4.527 0.001 0.000 0.294 470 F C 1.252 177.047 175.800 -0.009 0.000 1.152 470 F CA 0.373 58.365 58.000 -0.012 0.000 1.385 470 F CB 0.543 39.553 39.000 0.016 0.000 0.981 470 F HN 0.277 nan 8.300 nan 0.000 0.514 471 G N 0.885 109.733 108.800 0.079 0.000 2.176 471 G HA2 -0.313 3.648 3.960 0.001 0.000 0.252 471 G HA3 -0.313 3.648 3.960 0.001 0.000 0.252 471 G C 0.022 174.954 174.900 0.053 0.000 1.024 471 G CA 0.105 45.247 45.100 0.070 0.000 0.755 471 G HN 0.349 nan 8.290 nan 0.000 0.507 472 M N -1.100 118.511 119.600 0.018 0.000 2.761 472 M HA 0.509 4.990 4.480 0.001 0.000 0.305 472 M C 0.405 176.646 176.300 -0.098 0.000 1.235 472 M CA -0.860 54.417 55.300 -0.039 0.000 0.850 472 M CB 1.732 34.294 32.600 -0.063 0.000 1.744 472 M HN -0.005 nan 8.290 nan 0.000 0.480 473 K N 2.083 122.395 120.400 -0.146 0.000 2.218 473 K HA 0.385 4.706 4.320 0.001 0.000 0.276 473 K C -2.379 174.066 176.600 -0.258 0.000 1.022 473 K CA -1.542 54.642 56.287 -0.172 0.000 0.946 473 K CB 0.413 32.819 32.500 -0.156 0.000 1.000 473 K HN 0.278 nan 8.250 nan 0.000 0.468 474 P HA -0.035 nan 4.420 nan 0.000 0.271 474 P C -0.996 176.199 177.300 -0.174 0.000 1.216 474 P CA 0.044 63.041 63.100 -0.172 0.000 0.776 474 P CB 0.321 31.961 31.700 -0.099 0.000 0.881 475 Y N 0.940 121.203 120.300 -0.063 0.000 2.465 475 Y HA -0.008 4.543 4.550 0.001 0.000 0.331 475 Y C 2.292 178.137 175.900 -0.091 0.000 1.102 475 Y CA 0.773 58.834 58.100 -0.064 0.000 1.358 475 Y CB 0.142 38.565 38.460 -0.061 0.000 1.213 475 Y HN 0.423 nan 8.280 nan 0.000 0.525 476 T N -1.834 112.777 114.554 0.095 0.000 2.985 476 T HA 0.046 4.397 4.350 0.001 0.000 0.266 476 T C 0.554 175.258 174.700 0.006 0.000 1.076 476 T CA 0.812 62.932 62.100 0.033 0.000 1.135 476 T CB -0.151 68.737 68.868 0.033 0.000 0.890 476 T HN 0.520 nan 8.240 nan 0.000 0.480 477 S N -1.147 114.556 115.700 0.005 0.000 2.671 477 S HA 0.617 5.088 4.470 0.001 0.000 0.277 477 S C -0.065 174.451 174.600 -0.141 0.000 1.165 477 S CA -0.973 57.201 58.200 -0.043 0.000 0.822 477 S CB 0.493 63.721 63.200 0.048 0.000 1.150 477 S HN -0.047 nan 8.310 nan 0.000 0.479 478 F N 1.145 121.073 119.950 -0.037 0.000 2.325 478 F HA 0.084 4.612 4.527 0.001 0.000 0.299 478 F C 2.777 178.501 175.800 -0.126 0.000 1.090 478 F CA 1.087 59.021 58.000 -0.109 0.000 1.392 478 F CB -0.320 38.625 39.000 -0.092 0.000 1.053 478 F HN 0.597 nan 8.300 nan 0.000 0.521 479 Q N -0.129 119.729 119.800 0.096 0.000 2.119 479 Q HA -0.218 4.123 4.340 0.001 0.000 0.201 479 Q C 2.119 178.115 176.000 -0.006 0.000 0.972 479 Q CA 1.359 57.185 55.803 0.039 0.000 0.847 479 Q CB -0.303 28.466 28.738 0.051 0.000 0.903 479 Q HN 0.505 nan 8.270 nan 0.000 0.433 480 E N 0.702 120.903 120.200 0.000 0.000 2.150 480 E HA -0.173 4.177 4.350 0.001 0.000 0.193 480 E C 1.973 178.488 176.600 -0.142 0.000 0.985 480 E CA 0.375 56.804 56.400 0.048 0.000 0.814 480 E CB 0.101 29.928 29.700 0.211 0.000 0.752 480 E HN 0.197 nan 8.360 nan 0.000 0.466 481 L N 0.440 121.365 121.223 -0.498 0.000 2.093 481 L HA -0.116 4.225 4.340 0.001 0.000 0.208 481 L C 2.376 179.000 176.870 -0.410 0.000 1.085 481 L CA 2.267 56.556 54.840 -0.918 0.000 0.755 481 L CB -0.283 41.299 42.059 -0.795 0.000 0.904 481 L HN 0.190 nan 8.230 nan 0.000 0.435 482 T N -4.726 109.696 114.554 -0.220 0.000 3.023 482 T HA 0.282 4.632 4.350 0.001 0.000 0.249 482 T C 1.448 176.104 174.700 -0.074 0.000 1.050 482 T CA 0.296 62.315 62.100 -0.135 0.000 1.088 482 T CB -0.234 68.574 68.868 -0.101 0.000 0.946 482 T HN 0.546 nan 8.240 nan 0.000 0.480 483 G N 1.562 110.334 108.800 -0.048 0.000 2.273 483 G HA2 -0.188 3.773 3.960 0.001 0.000 0.280 483 G HA3 -0.188 3.773 3.960 0.001 0.000 0.280 483 G C -0.249 174.643 174.900 -0.013 0.000 1.047 483 G CA 0.512 45.603 45.100 -0.015 0.000 0.869 483 G HN 0.874 nan 8.290 nan 0.000 0.502 484 E N -1.707 118.485 120.200 -0.014 0.000 2.390 484 E HA 0.655 5.005 4.350 0.001 0.000 0.280 484 E C 0.729 177.329 176.600 0.001 0.000 0.992 484 E CA 0.194 56.588 56.400 -0.009 0.000 0.790 484 E CB 0.879 30.569 29.700 -0.017 0.000 1.248 484 E HN 0.470 nan 8.360 nan 0.000 0.447 485 K N 1.697 122.101 120.400 0.007 0.000 2.108 485 K HA 0.126 4.446 4.320 0.001 0.000 0.204 485 K C 2.022 178.632 176.600 0.017 0.000 1.036 485 K CA 1.673 57.968 56.287 0.013 0.000 0.965 485 K CB -1.189 31.319 32.500 0.012 0.000 0.804 485 K HN 0.599 nan 8.250 nan 0.000 0.454 486 E N 0.090 120.302 120.200 0.020 0.000 2.031 486 E HA 0.022 4.373 4.350 0.001 0.000 0.193 486 E C 2.517 179.152 176.600 0.058 0.000 0.994 486 E CA 2.909 59.328 56.400 0.032 0.000 0.800 486 E CB -1.234 28.482 29.700 0.027 0.000 0.752 486 E HN 0.817 nan 8.360 nan 0.000 0.447 487 M N 0.571 120.217 119.600 0.075 0.000 2.319 487 M HA 0.570 5.051 4.480 0.001 0.000 0.265 487 M C 2.756 179.054 176.300 -0.002 0.000 1.068 487 M CA 2.152 57.541 55.300 0.148 0.000 1.118 487 M CB -1.242 31.458 32.600 0.167 0.000 1.395 487 M HN 0.796 nan 8.290 nan 0.000 0.435 488 A N 0.444 123.246 122.820 -0.030 0.000 1.930 488 A HA 0.301 4.622 4.320 0.001 0.000 0.217 488 A C 2.673 180.201 177.584 -0.094 0.000 1.175 488 A CA 2.029 54.032 52.037 -0.057 0.000 0.627 488 A CB -1.113 17.895 19.000 0.015 0.000 0.815 488 A HN 1.207 nan 8.150 nan 0.000 0.443 489 A N -0.404 122.395 122.820 -0.035 0.000 1.902 489 A HA -0.170 4.150 4.320 0.001 0.000 0.217 489 A C 2.010 179.560 177.584 -0.057 0.000 1.181 489 A CA 1.757 53.775 52.037 -0.032 0.000 0.623 489 A CB -0.458 18.546 19.000 0.006 0.000 0.818 489 A HN 0.637 nan 8.150 nan 0.000 0.443 490 E N -0.843 119.356 120.200 -0.001 0.000 2.152 490 E HA -0.114 4.237 4.350 0.001 0.000 0.192 490 E C 1.761 178.336 176.600 -0.041 0.000 0.983 490 E CA 0.588 57.033 56.400 0.075 0.000 0.818 490 E CB -0.097 29.780 29.700 0.295 0.000 0.758 490 E HN 0.409 nan 8.360 nan 0.000 0.467 491 L N 1.403 122.456 121.223 -0.283 0.000 2.083 491 L HA -0.180 4.161 4.340 0.001 0.000 0.209 491 L C 2.254 178.596 176.870 -0.881 0.000 1.083 491 L CA 1.728 56.215 54.840 -0.588 0.000 0.752 491 L CB -0.392 41.203 42.059 -0.773 0.000 0.899 491 L HN 0.180 nan 8.230 nan 0.000 0.433 492 E N -0.667 118.983 120.200 -0.917 0.000 2.152 492 E HA -0.215 4.135 4.350 0.001 0.000 0.192 492 E C 2.117 178.606 176.600 -0.186 0.000 0.983 492 E CA 1.115 57.158 56.400 -0.597 0.000 0.818 492 E CB 0.237 29.816 29.700 -0.203 0.000 0.758 492 E HN 0.631 nan 8.360 nan 0.000 0.467 493 E N 0.834 120.952 120.200 -0.136 0.000 2.106 493 E HA -0.132 4.219 4.350 0.001 0.000 0.192 493 E C 1.928 178.502 176.600 -0.043 0.000 0.984 493 E CA 0.798 57.169 56.400 -0.048 0.000 0.806 493 E CB -0.418 29.271 29.700 -0.017 0.000 0.750 493 E HN 0.099 nan 8.360 nan 0.000 0.458 494 L N -1.343 119.841 121.223 -0.065 0.000 2.068 494 L HA 0.017 4.358 4.340 0.001 0.000 0.204 494 L C 2.488 179.263 176.870 -0.158 0.000 1.076 494 L CA 1.707 56.487 54.840 -0.099 0.000 0.753 494 L CB -0.855 41.157 42.059 -0.079 0.000 0.910 494 L HN 0.423 nan 8.230 nan 0.000 0.439 495 Y N -0.700 119.564 120.300 -0.060 0.000 2.301 495 Y HA 0.177 4.728 4.550 0.001 0.000 0.295 495 Y C 2.115 178.074 175.900 0.098 0.000 1.126 495 Y CA 1.112 59.247 58.100 0.058 0.000 1.154 495 Y CB -0.116 38.461 38.460 0.194 0.000 1.075 495 Y HN 0.301 nan 8.280 nan 0.000 0.534 496 G N -0.864 108.085 108.800 0.248 0.000 2.956 496 G HA2 -0.249 3.712 3.960 0.001 0.000 0.210 496 G HA3 -0.249 3.712 3.960 0.001 0.000 0.210 496 G C -0.056 175.023 174.900 0.298 0.000 1.316 496 G CA 0.158 45.382 45.100 0.206 0.000 0.819 496 G HN 0.320 nan 8.290 nan 0.000 0.544 497 D N -0.020 120.584 120.400 0.340 0.000 2.342 497 D HA 0.566 5.207 4.640 0.001 0.000 0.243 497 D C 1.237 177.665 176.300 0.213 0.000 1.019 497 D CA -0.393 53.764 54.000 0.262 0.000 0.864 497 D CB 2.117 43.009 40.800 0.153 0.000 1.315 497 D HN 0.154 nan 8.370 nan 0.000 0.468 498 I N 2.001 122.493 120.570 -0.130 0.000 2.394 498 I HA -0.162 4.009 4.170 0.001 0.000 0.251 498 I C 1.195 177.155 176.117 -0.263 0.000 1.136 498 I CA 1.341 62.253 61.300 -0.647 0.000 1.425 498 I CB 0.000 37.579 38.000 -0.702 0.000 1.079 498 I HN 0.326 nan 8.210 nan 0.000 0.425 499 D N 0.760 121.113 120.400 -0.079 0.000 2.378 499 D HA 0.033 4.674 4.640 0.001 0.000 0.227 499 D C 1.707 178.037 176.300 0.051 0.000 1.012 499 D CA 0.972 54.972 54.000 -0.000 0.000 0.905 499 D CB 0.198 41.022 40.800 0.039 0.000 0.895 499 D HN 0.530 nan 8.370 nan 0.000 0.532 500 A N 0.138 122.994 122.820 0.060 0.000 2.343 500 A HA 0.131 4.452 4.320 0.001 0.000 0.223 500 A C 0.864 178.476 177.584 0.046 0.000 1.214 500 A CA -0.361 51.762 52.037 0.144 0.000 0.900 500 A CB 0.207 19.363 19.000 0.261 0.000 0.942 500 A HN 0.168 nan 8.150 nan 0.000 0.507 501 L N 1.521 122.611 121.223 -0.221 0.000 2.499 501 L HA 0.175 4.516 4.340 0.001 0.000 0.273 501 L C 0.217 176.998 176.870 -0.148 0.000 1.195 501 L CA 0.276 54.768 54.840 -0.581 0.000 0.882 501 L CB 0.158 41.944 42.059 -0.456 0.000 1.133 501 L HN 0.381 nan 8.230 nan 0.000 0.483 502 E N 3.355 123.499 120.200 -0.093 0.000 2.371 502 E HA 0.010 4.361 4.350 0.001 0.000 0.257 502 E C 0.316 177.016 176.600 0.167 0.000 1.134 502 E CA -0.134 56.363 56.400 0.162 0.000 0.919 502 E CB 0.627 30.483 29.700 0.259 0.000 1.025 502 E HN 0.686 nan 8.360 nan 0.000 0.438 503 F N 1.131 121.155 119.950 0.123 0.000 2.075 503 F HA -0.260 4.267 4.527 0.001 0.000 0.297 503 F C 2.012 177.848 175.800 0.061 0.000 1.113 503 F CA 1.589 59.673 58.000 0.139 0.000 1.218 503 F CB -0.181 38.801 39.000 -0.031 0.000 0.984 503 F HN 0.601 nan 8.300 nan 0.000 0.472 504 Y N 1.259 121.543 120.300 -0.027 0.000 2.184 504 Y HA 0.027 4.578 4.550 0.001 0.000 0.290 504 Y C -0.837 174.932 175.900 -0.218 0.000 1.129 504 Y CA 1.182 59.191 58.100 -0.151 0.000 1.144 504 Y CB -1.819 36.620 38.460 -0.035 0.000 0.995 504 Y HN 0.025 nan 8.280 nan 0.000 0.513 505 P HA -0.081 nan 4.420 nan 0.000 0.218 505 P C 1.668 178.672 177.300 -0.494 0.000 1.149 505 P CA 2.172 65.098 63.100 -0.291 0.000 0.817 505 P CB -0.397 31.269 31.700 -0.057 0.000 0.785 506 G N -0.343 108.050 108.800 -0.677 0.000 2.432 506 G HA2 -0.203 3.758 3.960 0.001 0.000 0.219 506 G HA3 -0.203 3.758 3.960 0.001 0.000 0.219 506 G C 1.473 175.582 174.900 -1.318 0.000 1.135 506 G CA 0.453 44.799 45.100 -1.257 0.000 0.767 506 G HN 0.229 nan 8.290 nan 0.000 0.550 507 L N -0.283 120.363 121.223 -0.961 0.000 2.072 507 L HA 0.117 4.458 4.340 0.001 0.000 0.205 507 L C 2.724 179.329 176.870 -0.441 0.000 1.079 507 L CA 0.557 55.052 54.840 -0.574 0.000 0.752 507 L CB -0.189 41.572 42.059 -0.497 0.000 0.906 507 L HN 0.168 nan 8.230 nan 0.000 0.436 508 L N -0.902 120.023 121.223 -0.496 0.000 2.341 508 L HA -0.055 4.286 4.340 0.001 0.000 0.214 508 L C 1.567 178.269 176.870 -0.279 0.000 1.115 508 L CA 0.520 55.141 54.840 -0.364 0.000 0.820 508 L CB 0.014 41.820 42.059 -0.422 0.000 0.944 508 L HN 0.256 nan 8.230 nan 0.000 0.452 509 L N -0.314 120.711 121.223 -0.331 0.000 2.791 509 L HA 0.176 4.517 4.340 0.001 0.000 0.239 509 L C 0.687 177.395 176.870 -0.270 0.000 1.203 509 L CA -0.032 54.646 54.840 -0.269 0.000 1.002 509 L CB 0.109 41.991 42.059 -0.295 0.000 1.295 509 L HN 0.154 nan 8.230 nan 0.000 0.504 510 E N 2.046 122.091 120.200 -0.258 0.000 2.266 510 E HA 0.157 4.508 4.350 0.001 0.000 0.277 510 E C -0.225 176.303 176.600 -0.120 0.000 1.018 510 E CA -0.769 55.509 56.400 -0.204 0.000 0.840 510 E CB 0.911 30.534 29.700 -0.128 0.000 1.082 510 E HN 0.143 nan 8.360 nan 0.000 0.395 511 K N 2.278 122.620 120.400 -0.097 0.000 2.466 511 K HA 0.032 4.353 4.320 0.001 0.000 0.278 511 K C -0.708 175.878 176.600 -0.023 0.000 1.048 511 K CA -0.263 55.994 56.287 -0.050 0.000 1.088 511 K CB -0.159 32.327 32.500 -0.023 0.000 0.884 511 K HN 0.249 nan 8.250 nan 0.000 0.478 512 C N 2.981 122.259 119.300 -0.037 0.000 2.527 512 C HA 0.261 4.722 4.460 0.001 0.000 0.396 512 C C 1.116 176.094 174.990 -0.021 0.000 1.289 512 C CA -0.201 58.794 59.018 -0.038 0.000 2.047 512 C CB -0.750 26.948 27.740 -0.070 0.000 2.568 512 C HN 0.902 nan 8.230 nan 0.000 0.573 513 H N 3.747 122.810 119.070 -0.011 0.000 2.848 513 H HA 0.357 4.914 4.556 0.001 0.000 0.341 513 H C -2.192 173.144 175.328 0.014 0.000 1.060 513 H CA -1.648 54.420 56.048 0.033 0.000 1.444 513 H CB -0.615 29.202 29.762 0.091 0.000 1.446 513 H HN 0.694 nan 8.280 nan 0.000 0.583 514 P HA -0.026 nan 4.420 nan 0.000 0.266 514 P C -0.049 177.242 177.300 -0.014 0.000 1.195 514 P CA 0.590 63.693 63.100 0.004 0.000 0.768 514 P CB 0.504 32.221 31.700 0.028 0.000 0.838 515 N N -1.868 116.795 118.700 -0.062 0.000 2.967 515 N HA -0.172 4.568 4.740 0.001 0.000 0.218 515 N C 0.093 175.509 175.510 -0.157 0.000 0.870 515 N CA 1.898 54.886 53.050 -0.103 0.000 1.030 515 N CB -2.076 36.355 38.487 -0.092 0.000 1.027 515 N HN 0.659 nan 8.380 nan 0.000 0.603 516 S N -0.452 115.159 115.700 -0.149 0.000 2.672 516 S HA 0.570 5.041 4.470 0.001 0.000 0.276 516 S C 1.228 175.621 174.600 -0.343 0.000 1.207 516 S CA -0.496 57.562 58.200 -0.237 0.000 1.002 516 S CB 1.859 64.966 63.200 -0.155 0.000 0.998 516 S HN 0.265 nan 8.310 nan 0.000 0.542 517 I N -0.074 120.150 120.570 -0.575 0.000 2.584 517 I HA 0.213 4.384 4.170 0.001 0.000 0.255 517 I C -0.586 175.159 176.117 -0.619 0.000 1.145 517 I CA 0.504 61.386 61.300 -0.696 0.000 1.462 517 I CB 0.004 37.429 38.000 -0.957 0.000 1.102 517 I HN 0.715 nan 8.210 nan 0.000 0.433 518 F N -1.232 118.552 119.950 -0.277 0.000 2.789 518 F HA 0.718 5.245 4.527 0.001 0.000 0.319 518 F C 0.252 175.937 175.800 -0.192 0.000 1.168 518 F CA -1.179 56.671 58.000 -0.250 0.000 0.934 518 F CB -0.401 38.410 39.000 -0.314 0.000 1.375 518 F HN -0.262 nan 8.300 nan 0.000 0.480 519 G N -0.279 108.607 108.800 0.143 0.000 2.606 519 G HA2 0.365 4.326 3.960 0.001 0.000 0.252 519 G HA3 0.365 4.326 3.960 0.001 0.000 0.252 519 G C 0.494 175.447 174.900 0.089 0.000 1.206 519 G CA 0.022 45.161 45.100 0.065 0.000 0.861 519 G HN 1.008 nan 8.290 nan 0.000 0.561 520 E N 0.097 120.320 120.200 0.040 0.000 2.130 520 E HA -0.194 4.156 4.350 0.001 0.000 0.196 520 E C 2.263 178.891 176.600 0.046 0.000 0.998 520 E CA 1.677 58.083 56.400 0.011 0.000 0.806 520 E CB -0.311 29.395 29.700 0.011 0.000 0.738 520 E HN 0.278 nan 8.360 nan 0.000 0.459 521 S N 0.527 116.274 115.700 0.079 0.000 2.383 521 S HA -0.176 4.295 4.470 0.001 0.000 0.229 521 S C 1.832 176.417 174.600 -0.025 0.000 1.030 521 S CA 1.584 59.819 58.200 0.057 0.000 1.002 521 S CB -0.275 63.056 63.200 0.219 0.000 0.829 521 S HN 0.335 nan 8.310 nan 0.000 0.467 522 M N 0.591 120.144 119.600 -0.078 0.000 2.175 522 M HA -0.021 4.460 4.480 0.001 0.000 0.264 522 M C 1.507 177.739 176.300 -0.115 0.000 1.063 522 M CA 1.308 56.466 55.300 -0.237 0.000 1.119 522 M CB -0.222 31.935 32.600 -0.738 0.000 1.377 522 M HN 0.210 nan 8.290 nan 0.000 0.415 523 I N 0.117 120.714 120.570 0.045 0.000 2.163 523 I HA -0.235 3.936 4.170 0.001 0.000 0.240 523 I C 2.233 178.410 176.117 0.100 0.000 1.081 523 I CA 1.226 62.611 61.300 0.142 0.000 1.353 523 I CB -0.627 37.466 38.000 0.156 0.000 1.054 523 I HN 0.210 nan 8.210 nan 0.000 0.407 524 E N 0.039 120.273 120.200 0.057 0.000 2.268 524 E HA -0.122 4.228 4.350 0.001 0.000 0.195 524 E C 2.130 178.699 176.600 -0.051 0.000 0.995 524 E CA 1.220 57.655 56.400 0.058 0.000 0.836 524 E CB -0.084 29.654 29.700 0.063 0.000 0.763 524 E HN 0.557 nan 8.360 nan 0.000 0.491 525 M N -1.248 118.220 119.600 -0.220 0.000 2.657 525 M HA 0.133 4.613 4.480 0.001 0.000 0.262 525 M C 2.173 178.391 176.300 -0.137 0.000 1.213 525 M CA 0.789 55.701 55.300 -0.647 0.000 1.182 525 M CB 0.222 32.458 32.600 -0.607 0.000 1.303 525 M HN 0.040 nan 8.290 nan 0.000 0.501 526 G N 0.298 109.165 108.800 0.111 0.000 2.394 526 G HA2 -0.058 3.903 3.960 0.001 0.000 0.214 526 G HA3 -0.058 3.903 3.960 0.001 0.000 0.214 526 G C 1.619 176.711 174.900 0.320 0.000 1.176 526 G CA 0.858 46.177 45.100 0.364 0.000 0.786 526 G HN 0.460 nan 8.290 nan 0.000 0.533 527 A N 1.657 124.616 122.820 0.230 0.000 1.940 527 A HA 0.041 4.362 4.320 0.001 0.000 0.219 527 A C 0.731 178.407 177.584 0.153 0.000 1.176 527 A CA 2.024 54.192 52.037 0.218 0.000 0.631 527 A CB -1.185 17.939 19.000 0.207 0.000 0.814 527 A HN 0.375 nan 8.150 nan 0.000 0.446 528 P HA -0.141 nan 4.420 nan 0.000 0.214 528 P C 1.071 178.323 177.300 -0.080 0.000 1.163 528 P CA 1.099 64.202 63.100 0.004 0.000 0.883 528 P CB -0.208 31.496 31.700 0.007 0.000 0.788 529 F N -0.597 119.292 119.950 -0.101 0.000 2.134 529 F HA -0.119 4.409 4.527 0.001 0.000 0.299 529 F C 2.741 178.263 175.800 -0.463 0.000 1.097 529 F CA 1.461 59.160 58.000 -0.502 0.000 1.264 529 F CB -1.441 36.801 39.000 -1.263 0.000 1.001 529 F HN -0.079 nan 8.300 nan 0.000 0.479 530 S N 0.026 115.749 115.700 0.038 0.000 2.345 530 S HA -0.098 4.372 4.470 0.001 0.000 0.220 530 S C 2.126 176.842 174.600 0.193 0.000 1.031 530 S CA 1.037 59.390 58.200 0.255 0.000 0.996 530 S CB -0.434 63.044 63.200 0.464 0.000 0.882 530 S HN 0.274 nan 8.310 nan 0.000 0.445 531 L N 0.912 122.241 121.223 0.177 0.000 2.217 531 L HA -0.012 4.328 4.340 0.001 0.000 0.211 531 L C 2.483 179.461 176.870 0.180 0.000 1.107 531 L CA 1.082 56.026 54.840 0.174 0.000 0.783 531 L CB -0.394 41.766 42.059 0.169 0.000 0.919 531 L HN 0.256 nan 8.230 nan 0.000 0.442 532 K N 0.943 121.429 120.400 0.144 0.000 2.057 532 K HA -0.075 4.245 4.320 0.001 0.000 0.206 532 K C 1.933 178.614 176.600 0.134 0.000 1.050 532 K CA 1.535 57.915 56.287 0.155 0.000 0.935 532 K CB -0.588 31.935 32.500 0.038 0.000 0.715 532 K HN 0.150 nan 8.250 nan 0.000 0.439 533 G N 0.126 108.961 108.800 0.059 0.000 2.484 533 G HA2 -0.093 3.868 3.960 0.001 0.000 0.218 533 G HA3 -0.093 3.868 3.960 0.001 0.000 0.218 533 G C 1.398 176.342 174.900 0.074 0.000 1.130 533 G CA 0.672 45.775 45.100 0.004 0.000 0.784 533 G HN 0.258 nan 8.290 nan 0.000 0.543 534 L N -0.246 121.058 121.223 0.135 0.000 2.071 534 L HA 0.158 4.498 4.340 0.001 0.000 0.201 534 L C 2.498 179.483 176.870 0.191 0.000 1.076 534 L CA 0.226 55.161 54.840 0.158 0.000 0.755 534 L CB -0.233 41.915 42.059 0.148 0.000 0.915 534 L HN 0.044 nan 8.230 nan 0.000 0.445 535 L N -0.172 121.174 121.223 0.205 0.000 2.313 535 L HA 0.035 4.376 4.340 0.001 0.000 0.214 535 L C 2.397 179.459 176.870 0.319 0.000 1.119 535 L CA 1.402 56.354 54.840 0.188 0.000 0.809 535 L CB -1.765 40.273 42.059 -0.035 0.000 0.933 535 L HN 0.279 nan 8.230 nan 0.000 0.449 536 G N -0.463 108.578 108.800 0.402 0.000 2.776 536 G HA2 -0.182 3.778 3.960 0.001 0.000 0.209 536 G HA3 -0.182 3.778 3.960 0.001 0.000 0.209 536 G C 0.897 176.012 174.900 0.358 0.000 1.145 536 G CA -0.198 45.165 45.100 0.438 0.000 0.791 536 G HN 0.324 nan 8.290 nan 0.000 0.530 537 N N 1.151 120.038 118.700 0.311 0.000 2.483 537 N HA 0.065 4.806 4.740 0.001 0.000 0.264 537 N C -1.162 174.501 175.510 0.255 0.000 1.197 537 N CA -1.367 51.834 53.050 0.251 0.000 0.927 537 N CB 1.977 40.606 38.487 0.237 0.000 1.065 537 N HN -0.056 nan 8.380 nan 0.000 0.461 538 P HA -0.151 nan 4.420 nan 0.000 0.221 538 P C 1.422 178.621 177.300 -0.168 0.000 1.145 538 P CA 1.080 64.074 63.100 -0.176 0.000 0.795 538 P CB -0.093 31.379 31.700 -0.381 0.000 0.775 539 I N -3.605 117.113 120.570 0.246 0.000 2.830 539 I HA -0.056 4.115 4.170 0.001 0.000 0.263 539 I C 1.526 177.994 176.117 0.585 0.000 1.230 539 I CA 1.155 62.788 61.300 0.554 0.000 1.480 539 I CB -1.077 37.328 38.000 0.676 0.000 1.095 539 I HN -0.188 nan 8.210 nan 0.000 0.455 540 C N 1.600 121.102 119.300 0.337 0.000 2.626 540 C HA 0.228 4.688 4.460 0.001 0.000 0.266 540 C C 1.679 176.689 174.990 0.033 0.000 1.317 540 C CA 0.129 59.266 59.018 0.199 0.000 1.716 540 C CB -2.043 25.850 27.740 0.255 0.000 1.819 540 C HN 0.698 nan 8.230 nan 0.000 0.578 541 S N 1.380 116.892 115.700 -0.314 0.000 2.601 541 S HA 0.290 4.760 4.470 0.001 0.000 0.271 541 S C -1.715 172.792 174.600 -0.154 0.000 1.305 541 S CA -0.720 56.966 58.200 -0.857 0.000 1.022 541 S CB 1.020 63.586 63.200 -1.056 0.000 0.940 541 S HN 0.003 nan 8.310 nan 0.000 0.525 542 P HA -0.135 nan 4.420 nan 0.000 0.216 542 P C 1.443 178.725 177.300 -0.030 0.000 1.153 542 P CA 1.211 64.095 63.100 -0.360 0.000 0.858 542 P CB 0.056 31.399 31.700 -0.595 0.000 0.789 543 E N -1.887 118.304 120.200 -0.015 0.000 2.110 543 E HA -0.170 4.180 4.350 0.001 0.000 0.193 543 E C 1.872 178.632 176.600 0.268 0.000 0.988 543 E CA 1.350 57.822 56.400 0.119 0.000 0.804 543 E CB -0.490 29.300 29.700 0.150 0.000 0.745 543 E HN 0.387 nan 8.360 nan 0.000 0.458 544 Y N -0.944 119.366 120.300 0.016 0.000 2.396 544 Y HA 0.022 4.573 4.550 0.001 0.000 0.292 544 Y C 1.239 177.225 175.900 0.142 0.000 1.128 544 Y CA -0.497 57.626 58.100 0.037 0.000 1.194 544 Y CB -0.421 38.078 38.460 0.065 0.000 1.124 544 Y HN 0.129 nan 8.280 nan 0.000 0.543 545 W N 4.416 125.888 121.300 0.286 0.000 1.872 545 W HA 0.174 4.834 4.660 0.001 0.000 0.503 545 W C -0.752 175.901 176.519 0.222 0.000 0.794 545 W CA 0.652 58.223 57.345 0.377 0.000 1.972 545 W CB -0.668 29.064 29.460 0.454 0.000 1.730 545 W HN 0.040 nan 8.180 nan 0.000 0.253 546 K N 1.440 121.674 120.400 -0.276 0.000 2.480 546 K HA 0.452 4.773 4.320 0.001 0.000 0.258 546 K C 0.622 176.617 176.600 -1.007 0.000 0.990 546 K CA -0.395 55.589 56.287 -0.504 0.000 0.857 546 K CB 1.686 34.044 32.500 -0.236 0.000 1.384 546 K HN 0.009 nan 8.250 nan 0.000 0.446 547 A N 0.601 122.875 122.820 -0.912 0.000 1.933 547 A HA -0.163 4.157 4.320 0.001 0.000 0.218 547 A C 1.932 179.332 177.584 -0.307 0.000 1.175 547 A CA 2.265 53.869 52.037 -0.722 0.000 0.628 547 A CB -0.812 18.040 19.000 -0.247 0.000 0.814 547 A HN 0.754 nan 8.150 nan 0.000 0.444 548 S N -0.685 114.872 115.700 -0.238 0.000 2.399 548 S HA -0.146 4.324 4.470 0.001 0.000 0.231 548 S C 1.758 176.250 174.600 -0.181 0.000 1.022 548 S CA 1.819 59.936 58.200 -0.138 0.000 0.983 548 S CB -1.207 61.922 63.200 -0.118 0.000 0.803 548 S HN 0.501 nan 8.310 nan 0.000 0.480 549 T N 1.425 115.766 114.554 -0.354 0.000 2.833 549 T HA 0.046 4.397 4.350 0.001 0.000 0.269 549 T C 0.470 174.808 174.700 -0.603 0.000 1.054 549 T CA 1.095 62.852 62.100 -0.571 0.000 1.135 549 T CB -0.467 67.895 68.868 -0.843 0.000 0.869 549 T HN 0.564 nan 8.240 nan 0.000 0.466 550 F N 0.662 120.557 119.950 -0.092 0.000 2.837 550 F HA 0.494 5.022 4.527 0.001 0.000 0.298 550 F C 1.539 177.397 175.800 0.096 0.000 1.161 550 F CA -0.845 57.173 58.000 0.030 0.000 1.353 550 F CB -0.292 38.747 39.000 0.066 0.000 0.951 550 F HN 0.180 nan 8.300 nan 0.000 0.508 551 G N 0.398 109.336 108.800 0.231 0.000 2.249 551 G HA2 0.087 4.047 3.960 0.001 0.000 0.273 551 G HA3 0.087 4.047 3.960 0.001 0.000 0.273 551 G C 0.710 175.744 174.900 0.222 0.000 1.036 551 G CA 0.256 45.534 45.100 0.295 0.000 0.824 551 G HN 1.240 nan 8.290 nan 0.000 0.504 552 G N -1.459 107.424 108.800 0.138 0.000 2.428 552 G HA2 0.096 4.057 3.960 0.001 0.000 0.202 552 G HA3 0.096 4.057 3.960 0.001 0.000 0.202 552 G C 0.460 175.434 174.900 0.124 0.000 1.247 552 G CA 0.570 45.732 45.100 0.102 0.000 1.020 552 G HN 0.475 nan 8.290 nan 0.000 0.529 553 E N -0.383 119.880 120.200 0.105 0.000 2.107 553 E HA -0.027 4.324 4.350 0.001 0.000 0.191 553 E C 2.913 179.579 176.600 0.111 0.000 0.982 553 E CA 1.482 57.962 56.400 0.132 0.000 0.809 553 E CB -0.317 29.431 29.700 0.079 0.000 0.756 553 E HN 0.420 nan 8.360 nan 0.000 0.459 554 V N 0.883 120.834 119.914 0.061 0.000 2.287 554 V HA -0.202 3.918 4.120 0.001 0.000 0.248 554 V C 2.421 178.552 176.094 0.062 0.000 1.053 554 V CA 2.102 64.420 62.300 0.030 0.000 1.027 554 V CB -1.073 30.736 31.823 -0.024 0.000 0.646 554 V HN 0.319 nan 8.190 nan 0.000 0.447 555 G N -1.453 107.417 108.800 0.116 0.000 2.421 555 G HA2 -0.218 3.742 3.960 0.001 0.000 0.217 555 G HA3 -0.218 3.742 3.960 0.001 0.000 0.217 555 G C 1.492 176.490 174.900 0.163 0.000 1.143 555 G CA 0.442 45.641 45.100 0.164 0.000 0.784 555 G HN 0.414 nan 8.290 nan 0.000 0.541 556 F N 2.241 122.171 119.950 -0.033 0.000 2.234 556 F HA 0.041 4.568 4.527 0.001 0.000 0.299 556 F C 2.195 177.886 175.800 -0.182 0.000 1.087 556 F CA 0.667 58.545 58.000 -0.203 0.000 1.340 556 F CB -0.145 38.779 39.000 -0.126 0.000 1.031 556 F HN 0.065 nan 8.300 nan 0.000 0.500 557 N N 0.169 118.844 118.700 -0.041 0.000 2.300 557 N HA -0.107 4.634 4.740 0.001 0.000 0.179 557 N C 1.942 177.415 175.510 -0.062 0.000 1.016 557 N CA 0.693 53.683 53.050 -0.101 0.000 0.876 557 N CB -0.516 37.945 38.487 -0.043 0.000 0.979 557 N HN 0.235 nan 8.380 nan 0.000 0.432 558 L N 0.920 122.131 121.223 -0.020 0.000 2.042 558 L HA -0.120 4.220 4.340 0.001 0.000 0.210 558 L C 2.255 179.133 176.870 0.013 0.000 1.076 558 L CA 1.029 55.872 54.840 0.006 0.000 0.749 558 L CB -0.665 41.415 42.059 0.035 0.000 0.893 558 L HN -0.059 nan 8.230 nan 0.000 0.432 559 V N -0.853 119.041 119.914 -0.033 0.000 2.295 559 V HA -0.303 3.818 4.120 0.001 0.000 0.246 559 V C 2.403 178.548 176.094 0.085 0.000 1.049 559 V CA 1.764 64.070 62.300 0.010 0.000 1.024 559 V CB -0.522 31.207 31.823 -0.156 0.000 0.648 559 V HN 0.434 nan 8.190 nan 0.000 0.447 560 K N -0.162 120.226 120.400 -0.021 0.000 2.217 560 K HA -0.049 4.272 4.320 0.001 0.000 0.202 560 K C 1.494 178.116 176.600 0.035 0.000 1.051 560 K CA 1.518 57.812 56.287 0.012 0.000 0.952 560 K CB -0.117 32.293 32.500 -0.151 0.000 0.736 560 K HN 0.496 nan 8.250 nan 0.000 0.453 561 T N 0.262 114.824 114.554 0.013 0.000 3.176 561 T HA 0.280 4.631 4.350 0.001 0.000 0.263 561 T C 0.082 174.800 174.700 0.030 0.000 1.021 561 T CA -0.398 61.712 62.100 0.017 0.000 0.905 561 T CB 0.538 69.403 68.868 -0.004 0.000 1.057 561 T HN 0.091 nan 8.240 nan 0.000 0.558 562 A N 2.513 125.368 122.820 0.058 0.000 2.454 562 A HA 0.569 4.890 4.320 0.001 0.000 0.260 562 A C 0.839 178.458 177.584 0.059 0.000 1.106 562 A CA -0.323 51.754 52.037 0.065 0.000 0.780 562 A CB -0.055 19.013 19.000 0.112 0.000 1.044 562 A HN 0.448 nan 8.150 nan 0.000 0.498 563 T N -0.092 114.476 114.554 0.024 0.000 2.865 563 T HA 0.464 4.815 4.350 0.001 0.000 0.294 563 T C 0.629 175.306 174.700 -0.039 0.000 1.119 563 T CA -0.511 61.592 62.100 0.005 0.000 1.007 563 T CB 0.779 69.637 68.868 -0.018 0.000 1.225 563 T HN 0.459 nan 8.240 nan 0.000 0.515 564 L N 0.808 121.978 121.223 -0.090 0.000 2.093 564 L HA 0.242 4.582 4.340 0.001 0.000 0.208 564 L C 2.564 179.319 176.870 -0.192 0.000 1.085 564 L CA 1.796 56.527 54.840 -0.180 0.000 0.755 564 L CB -0.735 41.069 42.059 -0.425 0.000 0.904 564 L HN 0.859 nan 8.230 nan 0.000 0.435 565 K N -0.628 119.666 120.400 -0.177 0.000 2.026 565 K HA -0.195 4.126 4.320 0.001 0.000 0.208 565 K C 2.173 178.694 176.600 -0.130 0.000 1.048 565 K CA 1.515 57.703 56.287 -0.164 0.000 0.929 565 K CB -0.021 32.394 32.500 -0.141 0.000 0.713 565 K HN 0.247 nan 8.250 nan 0.000 0.439 566 K N 0.406 120.745 120.400 -0.102 0.000 2.057 566 K HA -0.151 4.170 4.320 0.001 0.000 0.207 566 K C 2.073 178.604 176.600 -0.115 0.000 1.049 566 K CA 0.999 57.233 56.287 -0.088 0.000 0.931 566 K CB -0.175 32.290 32.500 -0.058 0.000 0.714 566 K HN 0.088 nan 8.250 nan 0.000 0.440 567 L N 0.821 121.957 121.223 -0.144 0.000 2.127 567 L HA -0.183 4.157 4.340 0.001 0.000 0.211 567 L C 1.829 178.563 176.870 -0.227 0.000 1.089 567 L CA 1.437 56.144 54.840 -0.222 0.000 0.757 567 L CB -0.012 41.869 42.059 -0.295 0.000 0.899 567 L HN -0.082 nan 8.230 nan 0.000 0.434 568 V N -2.437 117.363 119.914 -0.190 0.000 2.391 568 V HA -0.181 3.939 4.120 0.001 0.000 0.237 568 V C 2.414 178.421 176.094 -0.144 0.000 1.046 568 V CA 1.298 63.490 62.300 -0.181 0.000 1.053 568 V CB -0.444 31.270 31.823 -0.181 0.000 0.704 568 V HN 0.475 nan 8.190 nan 0.000 0.475 569 c N 0.391 118.916 118.600 -0.124 0.000 2.401 569 c HA -0.167 4.404 4.570 0.001 0.000 0.276 569 c C 2.626 176.663 174.090 -0.089 0.000 1.233 569 c CA 0.749 57.019 56.329 -0.098 0.000 1.753 569 c CB -1.222 41.237 42.510 -0.085 0.000 2.029 569 c HN 0.480 nan 8.230 nan 0.000 0.478 570 L N 1.195 122.363 121.223 -0.091 0.000 2.201 570 L HA -0.023 4.318 4.340 0.001 0.000 0.212 570 L C 1.903 178.720 176.870 -0.088 0.000 1.105 570 L CA 1.650 56.442 54.840 -0.080 0.000 0.775 570 L CB -0.728 41.287 42.059 -0.073 0.000 0.913 570 L HN 0.390 nan 8.230 nan 0.000 0.440 571 N N -1.303 117.331 118.700 -0.110 0.000 2.280 571 N HA 0.060 4.801 4.740 0.001 0.000 0.192 571 N C 0.432 175.868 175.510 -0.124 0.000 1.109 571 N CA 0.467 53.444 53.050 -0.122 0.000 0.855 571 N CB 0.318 38.717 38.487 -0.147 0.000 0.974 571 N HN 0.397 nan 8.380 nan 0.000 0.482 572 T N -4.065 110.424 114.554 -0.108 0.000 2.942 572 T HA 0.580 4.930 4.350 0.001 0.000 0.289 572 T C 1.242 175.898 174.700 -0.073 0.000 1.044 572 T CA -0.544 61.498 62.100 -0.096 0.000 1.023 572 T CB 1.948 70.760 68.868 -0.093 0.000 1.123 572 T HN -0.012 nan 8.240 nan 0.000 0.512 573 K N 0.508 120.871 120.400 -0.060 0.000 2.044 573 K HA 0.264 4.585 4.320 0.001 0.000 0.204 573 K C 1.428 178.005 176.600 -0.038 0.000 1.049 573 K CA 1.480 57.740 56.287 -0.044 0.000 0.945 573 K CB -1.101 31.379 32.500 -0.034 0.000 0.724 573 K HN 1.115 nan 8.250 nan 0.000 0.440 574 T N -3.356 111.176 114.554 -0.038 0.000 2.887 574 T HA 0.491 4.841 4.350 0.001 0.000 0.288 574 T C -0.536 174.139 174.700 -0.042 0.000 1.021 574 T CA -0.817 61.264 62.100 -0.033 0.000 1.000 574 T CB 1.363 70.218 68.868 -0.022 0.000 1.034 574 T HN 0.250 nan 8.240 nan 0.000 0.467 575 c N 4.991 123.566 118.600 -0.041 0.000 2.303 575 c HA 0.781 5.352 4.570 0.001 0.000 0.326 575 c C -1.697 172.371 174.090 -0.037 0.000 1.285 575 c CA -1.122 55.176 56.329 -0.052 0.000 1.675 575 c CB 0.048 42.521 42.510 -0.062 0.000 2.289 575 c HN 0.944 nan 8.230 nan 0.000 0.512 576 P HA 0.227 nan 4.420 nan 0.000 0.321 576 P C -1.311 175.994 177.300 0.009 0.000 1.304 576 P CA -0.531 62.565 63.100 -0.006 0.000 0.759 576 P CB 0.329 32.020 31.700 -0.016 0.000 1.385 577 Y N 0.274 120.530 120.300 -0.073 0.000 2.569 577 Y HA 0.302 4.853 4.550 0.001 0.000 0.332 577 Y C -0.654 175.187 175.900 -0.099 0.000 1.120 577 Y CA 0.260 58.311 58.100 -0.083 0.000 1.416 577 Y CB -0.019 38.395 38.460 -0.077 0.000 1.210 577 Y HN -0.051 nan 8.280 nan 0.000 0.528 578 V N 7.021 126.551 119.914 -0.640 0.000 2.409 578 V HA 0.573 4.694 4.120 0.001 0.000 0.290 578 V C -0.806 174.859 176.094 -0.715 0.000 1.017 578 V CA -0.071 61.914 62.300 -0.526 0.000 0.841 578 V CB 0.929 32.557 31.823 -0.325 0.000 1.003 578 V HN 0.862 nan 8.190 nan 0.000 0.426 579 S N 3.516 118.818 115.700 -0.663 0.000 2.615 579 S HA 0.597 5.068 4.470 0.001 0.000 0.268 579 S C -0.472 173.938 174.600 -0.317 0.000 1.146 579 S CA -0.551 57.310 58.200 -0.564 0.000 0.818 579 S CB 1.108 63.872 63.200 -0.727 0.000 1.111 579 S HN 0.169 nan 8.310 nan 0.000 0.465 580 F N 1.542 121.512 119.950 0.032 0.000 2.811 580 F HA 0.277 4.805 4.527 0.001 0.000 0.301 580 F C 1.101 177.010 175.800 0.182 0.000 1.151 580 F CA 0.363 58.481 58.000 0.197 0.000 1.412 580 F CB -0.596 38.579 39.000 0.292 0.000 1.113 580 F HN 0.816 nan 8.300 nan 0.000 0.579 581 H N -3.566 115.634 119.070 0.217 0.000 2.821 581 H HA 0.641 5.198 4.556 0.001 0.000 0.373 581 H C -0.654 174.814 175.328 0.235 0.000 1.165 581 H CA -1.462 54.678 56.048 0.153 0.000 1.154 581 H CB 0.606 30.410 29.762 0.071 0.000 1.765 581 H HN -0.259 nan 8.280 nan 0.000 0.549 582 V N 3.192 123.241 119.914 0.225 0.000 2.763 582 V HA 0.127 4.248 4.120 0.001 0.000 0.306 582 V C -1.772 174.388 176.094 0.109 0.000 1.059 582 V CA -1.121 61.257 62.300 0.131 0.000 1.138 582 V CB 0.193 32.062 31.823 0.078 0.000 0.940 582 V HN 0.821 nan 8.190 nan 0.000 0.489 583 P HA 0.324 nan 4.420 nan 0.000 0.271 583 P C -0.797 176.461 177.300 -0.070 0.000 1.216 583 P CA 0.112 63.054 63.100 -0.264 0.000 0.776 583 P CB 1.209 32.447 31.700 -0.770 0.000 0.881 584 D N 0.000 120.410 120.400 0.016 0.000 6.856 584 D HA 0.000 4.641 4.640 0.001 0.000 0.175 584 D CA 0.000 54.008 54.000 0.013 0.000 0.868 584 D CB 0.000 40.819 40.800 0.033 0.000 0.688 584 D HN 0.000 nan 8.370 nan 0.000 0.683