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 2ivf_1_A DATA FIRST_RESID 65 DATA SEQUENCE EDIYRKEWKW DKVNWGSHLN ICWPQGSCKF YVYVRNGIVW REEQAAQTPA DATA SEQUENCE CNVDYVDYNP LGCQKGSAFN NNLYGDERVK YPLKRVGKRG EGKWKRVSWD DATA SEQUENCE EAAGDIADSI IDSFEAQGSD GFILDAPHVH AGSIAWGAGF RMTYLMDGVS DATA SEQUENCE PDINVDIGDT YMGAFHTFGK MHMGYSADNL LDAELIFMTC SNWSYTYPSS DATA SEQUENCE YHFLSEARYK GAEVVVIAPD FNPTTPAADL HVPVRVGSDA AFWLGLSQVM DATA SEQUENCE IDEKLFDRQF VCEQTDLPLL VRMDTGKFLS AEDVDGGEAK QFYFFDEKAG DATA SEQUENCE SVRKASRGTL KLDFMPALEG TFSARLKNGK TIQVRTVFEG LREHLKDYTP DATA SEQUENCE EKASAKCGVP VSLIRELGRK VAKKRTCSYI GFSSAKSYHG DLMERSLFLA DATA SEQUENCE MALSGNWGKP GTGAFAWAYS DDNMVYLGVM SKPTAQGGMD ELHQMAEGFN DATA SEQUENCE KRTLEADPTS TDEMGNIEFM KVVTSAVGLV PPAMWLYYHV GYDQLWNNKA DATA SEQUENCE WTDPALKKSF GAYLDEAKEK GWWTNDHIRP APDKTPQVYM LLSQNPMRRK DATA SEQUENCE RSGAKMFPDV LFPKLKMIFA LETRMSSSAM YADIVLPCAW YYEKHEMTTP DATA SEQUENCE CSGNPFFTFV DRSVAPPGEC REEWDAIALI LKKVGERAAA RGLTEFNDHN DATA SEQUENCE GRKRRYDELY KKFTMDGHLL TNEDCLKEMV DINRAVGVFA KDYTYEKFKK DATA SEQUENCE EGQTRFLSMG TGVSRYAHAN EVDVTKPIYP MRWHFDDKKV FPTHTRRAQF DATA SEQUENCE YLDHDWYLEA GESLPTHKDT PMVGGDHPFK ITGGHPRVSI HSTHLTNSHL DATA SEQUENCE SRLHRGQPVV HMNSKDAAEL GIKDGDMAKL FNDFADCEIM VRTAPNVQPK DATA SEQUENCE QCIVYFWDAH QYKGWKPYDI LLIGMPKPLH LAGGYEQFRY YFMNGSPAPV DATA SEQUENCE TDRGVRVSIK KA 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 65 E HA 0.000 nan 4.350 nan 0.000 0.291 65 E C 0.000 176.644 176.600 0.073 0.000 1.382 65 E CA 0.000 56.447 56.400 0.077 0.000 0.976 65 E CB 0.000 29.747 29.700 0.078 0.000 0.812 66 D N 0.791 121.208 120.400 0.027 0.000 2.312 66 D HA -0.026 4.617 4.640 0.006 0.000 0.211 66 D C 1.575 177.868 176.300 -0.011 0.000 0.964 66 D CA 0.653 54.664 54.000 0.019 0.000 0.877 66 D CB 0.253 41.054 40.800 0.001 0.000 0.924 66 D HN 0.147 nan 8.370 nan 0.000 0.515 67 I N 0.142 120.664 120.570 -0.080 0.000 2.493 67 I HA -0.231 3.942 4.170 0.006 0.000 0.254 67 I C 1.608 177.598 176.117 -0.212 0.000 1.160 67 I CA 0.980 62.170 61.300 -0.184 0.000 1.445 67 I CB -0.332 37.486 38.000 -0.303 0.000 1.086 67 I HN 0.024 nan 8.210 nan 0.000 0.433 68 Y N -0.141 120.186 120.300 0.045 0.000 2.347 68 Y HA 0.061 4.614 4.550 0.006 0.000 0.294 68 Y C 2.525 178.490 175.900 0.107 0.000 1.117 68 Y CA 0.541 58.683 58.100 0.070 0.000 1.184 68 Y CB -0.541 37.951 38.460 0.054 0.000 1.047 68 Y HN -0.023 nan 8.280 nan 0.000 0.546 69 R N 0.577 121.216 120.500 0.233 0.000 2.117 69 R HA -0.203 4.140 4.340 0.006 0.000 0.243 69 R C 2.064 178.455 176.300 0.151 0.000 1.143 69 R CA 1.540 57.757 56.100 0.196 0.000 0.968 69 R CB -0.296 30.080 30.300 0.127 0.000 0.863 69 R HN 0.319 nan 8.270 nan 0.000 0.444 70 K N 0.404 120.849 120.400 0.076 0.000 2.127 70 K HA -0.190 4.133 4.320 0.006 0.000 0.208 70 K C 1.824 178.434 176.600 0.017 0.000 1.047 70 K CA 1.297 57.592 56.287 0.014 0.000 0.927 70 K CB 0.021 32.507 32.500 -0.025 0.000 0.716 70 K HN 0.215 nan 8.250 nan 0.000 0.450 71 E N -0.630 119.641 120.200 0.120 0.000 2.299 71 E HA -0.119 4.234 4.350 0.006 0.000 0.193 71 E C 0.516 177.251 176.600 0.224 0.000 0.998 71 E CA 0.299 56.779 56.400 0.134 0.000 0.851 71 E CB 0.078 29.950 29.700 0.288 0.000 0.795 71 E HN 0.424 nan 8.360 nan 0.000 0.492 72 W N 2.320 123.694 121.300 0.124 0.000 1.611 72 W HA 0.202 4.866 4.660 0.006 0.000 0.395 72 W C -0.636 175.943 176.519 0.099 0.000 0.698 72 W CA -0.021 57.486 57.345 0.271 0.000 1.845 72 W CB -0.282 29.324 29.460 0.243 0.000 1.818 72 W HN -0.214 nan 8.180 nan 0.000 0.270 73 K N 2.565 122.816 120.400 -0.250 0.000 2.551 73 K HA 0.400 4.724 4.320 0.006 0.000 0.269 73 K C -1.512 174.902 176.600 -0.311 0.000 0.949 73 K CA -0.530 55.447 56.287 -0.517 0.000 0.849 73 K CB 2.322 34.603 32.500 -0.364 0.000 1.411 73 K HN 0.232 nan 8.250 nan 0.000 0.432 74 W N 0.149 121.283 121.300 -0.276 0.000 2.926 74 W HA 0.424 5.088 4.660 0.006 0.000 0.361 74 W C -0.704 175.757 176.519 -0.097 0.000 1.195 74 W CA -0.682 56.569 57.345 -0.157 0.000 1.177 74 W CB 0.048 29.564 29.460 0.094 0.000 1.453 74 W HN 0.351 nan 8.180 nan 0.000 0.571 75 D N 0.280 120.812 120.400 0.220 0.000 2.338 75 D HA 0.078 4.721 4.640 0.006 0.000 0.224 75 D C 0.103 176.505 176.300 0.170 0.000 0.967 75 D CA 1.160 55.214 54.000 0.090 0.000 0.896 75 D CB 0.468 41.306 40.800 0.062 0.000 1.028 75 D HN 0.423 nan 8.370 nan 0.000 0.493 76 K N -1.053 119.514 120.400 0.279 0.000 2.548 76 K HA 0.622 4.946 4.320 0.006 0.000 0.282 76 K C -1.552 175.080 176.600 0.053 0.000 1.006 76 K CA -0.905 55.482 56.287 0.166 0.000 0.892 76 K CB 2.174 34.707 32.500 0.055 0.000 1.499 76 K HN -0.252 nan 8.250 nan 0.000 0.433 77 V N 1.057 120.895 119.914 -0.126 0.000 2.686 77 V HA 0.428 4.552 4.120 0.006 0.000 0.306 77 V C -1.284 174.614 176.094 -0.328 0.000 1.065 77 V CA -0.768 61.308 62.300 -0.373 0.000 0.894 77 V CB 1.704 33.133 31.823 -0.658 0.000 1.004 77 V HN 0.888 nan 8.190 nan 0.000 0.424 78 N N 1.571 120.085 118.700 -0.310 0.000 2.469 78 N HA 0.608 5.352 4.740 0.006 0.000 0.286 78 N C -1.317 174.047 175.510 -0.244 0.000 1.275 78 N CA -0.743 52.141 53.050 -0.276 0.000 0.790 78 N CB 1.409 39.815 38.487 -0.135 0.000 1.446 78 N HN 0.636 nan 8.380 nan 0.000 0.501 79 W N 0.012 121.288 121.300 -0.039 0.000 2.238 79 W HA 0.553 5.216 4.660 0.006 0.000 0.321 79 W C 0.729 177.121 176.519 -0.212 0.000 1.293 79 W CA -0.415 56.881 57.345 -0.081 0.000 1.204 79 W CB 0.937 30.423 29.460 0.042 0.000 1.167 79 W HN 0.419 nan 8.180 nan 0.000 0.553 80 G N 0.936 109.791 108.800 0.092 0.000 2.672 80 G HA2 0.618 4.582 3.960 0.006 0.000 0.292 80 G HA3 0.618 4.582 3.960 0.006 0.000 0.292 80 G C -1.674 173.213 174.900 -0.021 0.000 1.375 80 G CA -0.488 44.574 45.100 -0.065 0.000 0.890 80 G HN 0.459 nan 8.290 nan 0.000 0.476 81 S N -1.616 114.009 115.700 -0.125 0.000 2.757 81 S HA 0.670 5.143 4.470 0.006 0.000 0.285 81 S C -1.744 172.396 174.600 -0.767 0.000 1.196 81 S CA -0.685 57.233 58.200 -0.469 0.000 0.856 81 S CB 0.885 63.980 63.200 -0.175 0.000 1.212 81 S HN 0.735 nan 8.310 nan 0.000 0.516 82 H N 1.127 120.018 119.070 -0.298 0.000 2.538 82 H HA 0.492 5.051 4.556 0.006 0.000 0.353 82 H C 0.057 174.939 175.328 -0.742 0.000 1.109 82 H CA -0.907 54.673 56.048 -0.781 0.000 1.192 82 H CB 1.015 30.407 29.762 -0.618 0.000 1.555 82 H HN 0.211 nan 8.280 nan 0.000 0.518 83 L N 1.238 121.772 121.223 -1.148 0.000 2.529 83 L HA 0.033 4.377 4.340 0.006 0.000 0.223 83 L C 0.587 177.364 176.870 -0.156 0.000 1.113 83 L CA 0.346 54.920 54.840 -0.443 0.000 0.861 83 L CB -1.146 40.793 42.059 -0.200 0.000 1.012 83 L HN 0.765 nan 8.230 nan 0.000 0.461 84 N N 1.125 119.719 118.700 -0.177 0.000 2.293 84 N HA -0.129 4.615 4.740 0.006 0.000 0.253 84 N C -0.062 175.615 175.510 0.279 0.000 1.248 84 N CA -0.254 52.953 53.050 0.261 0.000 0.845 84 N CB 0.873 39.548 38.487 0.314 0.000 1.073 84 N HN -0.042 nan 8.380 nan 0.000 0.464 85 I N 3.041 123.903 120.570 0.486 0.000 2.268 85 I HA 0.011 4.184 4.170 0.006 0.000 0.298 85 I C 0.908 177.296 176.117 0.451 0.000 1.185 85 I CA -0.886 60.617 61.300 0.338 0.000 1.548 85 I CB -1.803 36.217 38.000 0.033 0.000 1.492 85 I HN 0.622 nan 8.210 nan 0.000 0.711 86 C N 4.203 123.683 119.300 0.299 0.000 2.727 86 C HA 0.329 4.793 4.460 0.006 0.000 0.401 86 C C 0.112 175.293 174.990 0.319 0.000 1.294 86 C CA -0.883 58.282 59.018 0.245 0.000 2.134 86 C CB 0.580 28.401 27.740 0.134 0.000 2.724 86 C HN 0.847 nan 8.230 nan 0.000 0.677 87 W N 1.871 123.197 121.300 0.043 0.000 3.259 87 W HA 0.361 5.025 4.660 0.006 0.000 0.331 87 W C -2.867 173.522 176.519 -0.216 0.000 1.144 87 W CA -1.987 55.364 57.345 0.010 0.000 1.227 87 W CB 1.712 31.283 29.460 0.185 0.000 1.371 87 W HN 0.541 nan 8.180 nan 0.000 0.491 88 P HA -0.125 nan 4.420 nan 0.000 0.264 88 P C -0.086 176.715 177.300 -0.832 0.000 1.179 88 P CA 0.714 62.938 63.100 -1.460 0.000 0.763 88 P CB 0.475 31.436 31.700 -1.232 0.000 0.806 89 Q N 1.887 121.191 119.800 -0.827 0.000 2.263 89 Q HA -0.007 4.337 4.340 0.006 0.000 0.289 89 Q C 1.655 177.529 176.000 -0.210 0.000 1.061 89 Q CA 0.902 56.521 55.803 -0.307 0.000 0.927 89 Q CB 0.632 29.224 28.738 -0.243 0.000 1.154 89 Q HN 0.686 nan 8.270 nan 0.000 0.378 90 G N 1.881 110.664 108.800 -0.028 0.000 2.422 90 G HA2 -0.184 3.779 3.960 0.006 0.000 0.218 90 G HA3 -0.184 3.779 3.960 0.006 0.000 0.218 90 G C 0.582 175.545 174.900 0.105 0.000 1.140 90 G CA 0.527 45.679 45.100 0.087 0.000 0.775 90 G HN 0.757 nan 8.290 nan 0.000 0.545 91 S N -1.123 114.614 115.700 0.062 0.000 3.549 91 S HA -0.207 4.267 4.470 0.006 0.000 0.366 91 S C 0.575 175.328 174.600 0.255 0.000 1.012 91 S CA 0.512 58.780 58.200 0.114 0.000 1.141 91 S CB -2.222 61.002 63.200 0.040 0.000 0.910 91 S HN 0.607 nan 8.310 nan 0.000 0.471 92 C N 2.103 121.541 119.300 0.230 0.000 2.482 92 C HA 0.371 4.835 4.460 0.006 0.000 0.378 92 C C 0.990 176.094 174.990 0.190 0.000 1.284 92 C CA -0.739 58.419 59.018 0.233 0.000 1.826 92 C CB -0.097 27.879 27.740 0.393 0.000 2.473 92 C HN 0.583 nan 8.230 nan 0.000 0.562 93 K N 2.591 122.978 120.400 -0.021 0.000 2.312 93 K HA 0.459 4.783 4.320 0.006 0.000 0.287 93 K C -1.082 175.436 176.600 -0.137 0.000 1.062 93 K CA -0.054 56.169 56.287 -0.108 0.000 0.934 93 K CB 0.320 32.602 32.500 -0.363 0.000 1.027 93 K HN 0.551 nan 8.250 nan 0.000 0.478 94 F N 2.977 122.868 119.950 -0.099 0.000 2.538 94 F HA 0.323 4.853 4.527 0.006 0.000 0.325 94 F C -0.458 175.318 175.800 -0.039 0.000 1.066 94 F CA -0.717 57.241 58.000 -0.070 0.000 0.946 94 F CB 0.940 39.944 39.000 0.006 0.000 1.199 94 F HN 0.380 nan 8.300 nan 0.000 0.473 95 Y N 1.506 121.904 120.300 0.162 0.000 2.359 95 Y HA 0.443 4.997 4.550 0.006 0.000 0.334 95 Y C -0.024 175.738 175.900 -0.229 0.000 1.058 95 Y CA -0.879 57.109 58.100 -0.187 0.000 1.244 95 Y CB 0.636 38.825 38.460 -0.450 0.000 1.187 95 Y HN 0.107 nan 8.280 nan 0.000 0.510 96 V N 5.543 125.329 119.914 -0.212 0.000 2.347 96 V HA 0.225 4.348 4.120 0.006 0.000 0.280 96 V C -0.898 175.032 176.094 -0.273 0.000 1.021 96 V CA -1.120 61.015 62.300 -0.275 0.000 0.847 96 V CB 0.026 31.538 31.823 -0.518 0.000 0.990 96 V HN 0.495 nan 8.190 nan 0.000 0.444 97 Y N 3.652 123.864 120.300 -0.147 0.000 2.367 97 Y HA 0.542 5.095 4.550 0.006 0.000 0.342 97 Y C 0.205 176.174 175.900 0.115 0.000 0.979 97 Y CA -0.634 57.391 58.100 -0.125 0.000 1.161 97 Y CB 1.573 39.909 38.460 -0.208 0.000 1.155 97 Y HN 0.367 nan 8.280 nan 0.000 0.503 98 V N 5.685 125.749 119.914 0.250 0.000 2.435 98 V HA 0.661 4.784 4.120 0.006 0.000 0.290 98 V C -0.353 175.896 176.094 0.258 0.000 1.030 98 V CA -0.926 61.517 62.300 0.239 0.000 0.881 98 V CB 1.586 33.496 31.823 0.144 0.000 0.983 98 V HN 0.822 nan 8.190 nan 0.000 0.445 99 R N 2.819 123.440 120.500 0.202 0.000 2.668 99 R HA 0.524 4.867 4.340 0.006 0.000 0.272 99 R C -0.488 175.832 176.300 0.033 0.000 1.019 99 R CA -0.859 55.297 56.100 0.094 0.000 0.894 99 R CB 1.034 31.343 30.300 0.016 0.000 1.228 99 R HN 0.508 nan 8.270 nan 0.000 0.460 100 N N 0.604 119.306 118.700 0.005 0.000 2.721 100 N HA -0.210 4.533 4.740 0.006 0.000 0.249 100 N C 0.695 176.218 175.510 0.022 0.000 1.072 100 N CA 1.737 54.784 53.050 -0.005 0.000 0.710 100 N CB -1.195 37.270 38.487 -0.037 0.000 0.993 100 N HN 1.199 nan 8.380 nan 0.000 0.547 101 G N -1.648 107.182 108.800 0.051 0.000 2.168 101 G HA2 -0.303 3.660 3.960 0.006 0.000 0.257 101 G HA3 -0.303 3.660 3.960 0.006 0.000 0.257 101 G C -0.073 174.891 174.900 0.108 0.000 0.997 101 G CA 0.640 45.786 45.100 0.076 0.000 0.708 101 G HN 0.461 nan 8.290 nan 0.000 0.520 102 I N 0.001 120.632 120.570 0.102 0.000 2.730 102 I HA 0.369 4.542 4.170 0.006 0.000 0.298 102 I C 0.637 176.878 176.117 0.207 0.000 1.089 102 I CA -1.511 59.855 61.300 0.110 0.000 1.041 102 I CB 1.966 39.890 38.000 -0.127 0.000 1.235 102 I HN -0.145 nan 8.210 nan 0.000 0.423 103 V N 5.109 125.250 119.914 0.378 0.000 2.403 103 V HA -0.075 4.048 4.120 0.006 0.000 0.265 103 V C 0.757 177.070 176.094 0.365 0.000 1.034 103 V CA 0.073 62.613 62.300 0.400 0.000 1.036 103 V CB 0.226 32.362 31.823 0.520 0.000 1.032 103 V HN 0.938 nan 8.190 nan 0.000 0.478 104 W N 7.656 129.031 121.300 0.124 0.000 2.444 104 W HA 0.102 4.765 4.660 0.006 0.000 0.308 104 W C 1.067 177.643 176.519 0.095 0.000 1.183 104 W CA 0.904 58.291 57.345 0.070 0.000 1.340 104 W CB 0.236 29.736 29.460 0.066 0.000 1.138 104 W HN 0.615 nan 8.180 nan 0.000 0.510 105 R N 0.274 120.647 120.500 -0.212 0.000 2.756 105 R HA 0.338 4.682 4.340 0.006 0.000 0.273 105 R C -1.124 175.168 176.300 -0.013 0.000 1.030 105 R CA -0.725 55.154 56.100 -0.369 0.000 0.887 105 R CB 1.167 30.862 30.300 -1.009 0.000 1.274 105 R HN 0.089 nan 8.270 nan 0.000 0.461 106 E N 0.937 121.186 120.200 0.082 0.000 2.416 106 E HA 0.521 4.875 4.350 0.006 0.000 0.273 106 E C -1.362 175.506 176.600 0.447 0.000 0.935 106 E CA -0.918 55.686 56.400 0.340 0.000 0.784 106 E CB 2.863 32.748 29.700 0.308 0.000 1.301 106 E HN 0.682 nan 8.360 nan 0.000 0.454 107 E N 0.756 121.342 120.200 0.643 0.000 2.375 107 E HA 0.198 4.552 4.350 0.006 0.000 0.280 107 E C -1.340 175.277 176.600 0.029 0.000 0.972 107 E CA -0.516 56.133 56.400 0.414 0.000 0.782 107 E CB 1.862 31.785 29.700 0.373 0.000 1.229 107 E HN 0.379 nan 8.360 nan 0.000 0.439 108 Q N 1.333 120.869 119.800 -0.438 0.000 2.330 108 Q HA 0.222 4.565 4.340 0.006 0.000 0.279 108 Q C 0.632 176.383 176.000 -0.415 0.000 1.024 108 Q CA 0.816 56.141 55.803 -0.797 0.000 0.900 108 Q CB 1.193 29.579 28.738 -0.586 0.000 1.221 108 Q HN 0.640 nan 8.270 nan 0.000 0.396 109 A N 3.303 125.783 122.820 -0.566 0.000 1.968 109 A HA 0.253 4.576 4.320 0.006 0.000 0.217 109 A C 1.065 178.515 177.584 -0.223 0.000 1.169 109 A CA 0.727 52.424 52.037 -0.567 0.000 0.638 109 A CB -0.577 18.040 19.000 -0.639 0.000 0.812 109 A HN 1.284 nan 8.150 nan 0.000 0.446 110 A N -1.029 121.647 122.820 -0.241 0.000 2.578 110 A HA -0.188 4.136 4.320 0.006 0.000 0.298 110 A C 0.228 177.741 177.584 -0.118 0.000 1.472 110 A CA 1.117 53.060 52.037 -0.157 0.000 0.734 110 A CB -2.278 16.662 19.000 -0.100 0.000 1.091 110 A HN 0.671 nan 8.150 nan 0.000 0.426 111 Q N -0.473 119.224 119.800 -0.171 0.000 2.215 111 Q HA 0.219 4.563 4.340 0.006 0.000 0.337 111 Q C -0.500 175.370 176.000 -0.216 0.000 0.887 111 Q CA 0.152 55.868 55.803 -0.146 0.000 1.134 111 Q CB 0.951 29.613 28.738 -0.127 0.000 1.303 111 Q HN 0.583 nan 8.270 nan 0.000 0.421 112 T N 1.894 116.317 114.554 -0.220 0.000 3.053 112 T HA 0.332 4.686 4.350 0.006 0.000 0.363 112 T C -2.535 172.116 174.700 -0.080 0.000 1.239 112 T CA -1.473 60.446 62.100 -0.302 0.000 1.071 112 T CB 1.007 69.540 68.868 -0.558 0.000 1.089 112 T HN 0.025 nan 8.240 nan 0.000 0.527 113 P HA 0.342 nan 4.420 nan 0.000 0.273 113 P C -0.167 177.235 177.300 0.169 0.000 1.250 113 P CA -0.475 62.655 63.100 0.049 0.000 0.793 113 P CB 0.473 32.182 31.700 0.016 0.000 1.011 114 A N 0.714 123.649 122.820 0.192 0.000 2.386 114 A HA 0.082 4.405 4.320 0.006 0.000 0.246 114 A C 1.836 179.526 177.584 0.177 0.000 1.089 114 A CA 0.166 52.354 52.037 0.252 0.000 0.790 114 A CB -0.735 18.409 19.000 0.240 0.000 1.042 114 A HN 0.865 nan 8.150 nan 0.000 0.497 115 C N 0.594 119.982 119.300 0.146 0.000 2.425 115 C HA 0.073 4.536 4.460 0.006 0.000 0.277 115 C C 0.835 175.860 174.990 0.058 0.000 1.280 115 C CA 0.574 59.614 59.018 0.038 0.000 1.744 115 C CB -1.642 26.030 27.740 -0.113 0.000 1.989 115 C HN 0.928 nan 8.230 nan 0.000 0.491 116 N N -1.398 117.386 118.700 0.140 0.000 3.106 116 N HA 0.112 4.855 4.740 0.006 0.000 0.253 116 N C 0.048 175.688 175.510 0.216 0.000 1.506 116 N CA -0.111 53.041 53.050 0.171 0.000 0.876 116 N CB 1.886 40.476 38.487 0.171 0.000 1.452 116 N HN -0.079 nan 8.380 nan 0.000 0.542 117 V N 0.509 120.514 119.914 0.153 0.000 2.568 117 V HA -0.190 3.934 4.120 0.006 0.000 0.253 117 V C 1.020 177.176 176.094 0.102 0.000 1.072 117 V CA 2.033 64.399 62.300 0.111 0.000 1.084 117 V CB -0.791 31.076 31.823 0.072 0.000 0.676 117 V HN 0.589 nan 8.190 nan 0.000 0.469 118 D N -1.878 118.593 120.400 0.117 0.000 2.347 118 D HA 0.024 4.668 4.640 0.006 0.000 0.213 118 D C 0.195 176.419 176.300 -0.126 0.000 0.985 118 D CA 0.558 54.542 54.000 -0.026 0.000 0.879 118 D CB 0.077 40.808 40.800 -0.114 0.000 0.919 118 D HN 0.512 nan 8.370 nan 0.000 0.526 119 Y N -0.151 120.195 120.300 0.076 0.000 2.567 119 Y HA 0.323 4.876 4.550 0.006 0.000 0.333 119 Y C 0.528 176.501 175.900 0.123 0.000 1.106 119 Y CA -1.072 57.090 58.100 0.104 0.000 1.157 119 Y CB 1.199 39.726 38.460 0.112 0.000 1.277 119 Y HN -0.397 nan 8.280 nan 0.000 0.490 120 V N 2.400 122.520 119.914 0.343 0.000 2.649 120 V HA 0.095 4.218 4.120 0.006 0.000 0.292 120 V C -0.191 176.078 176.094 0.292 0.000 1.055 120 V CA -0.762 61.686 62.300 0.246 0.000 1.023 120 V CB 0.714 32.651 31.823 0.192 0.000 0.992 120 V HN 0.817 nan 8.190 nan 0.000 0.480 121 D N 2.531 123.029 120.400 0.164 0.000 2.393 121 D HA 0.030 4.673 4.640 0.006 0.000 0.246 121 D C 0.110 176.519 176.300 0.182 0.000 1.275 121 D CA -0.006 54.116 54.000 0.204 0.000 0.979 121 D CB 0.394 41.264 40.800 0.117 0.000 1.101 121 D HN 0.453 nan 8.370 nan 0.000 0.505 122 Y N -1.330 119.077 120.300 0.178 0.000 2.457 122 Y HA 0.196 4.750 4.550 0.006 0.000 0.263 122 Y C 0.312 176.210 175.900 -0.004 0.000 1.164 122 Y CA -0.474 57.778 58.100 0.254 0.000 1.274 122 Y CB -0.174 38.466 38.460 0.301 0.000 1.097 122 Y HN 0.175 nan 8.280 nan 0.000 0.523 123 N N 1.741 120.433 118.700 -0.012 0.000 2.503 123 N HA 0.061 4.805 4.740 0.006 0.000 0.267 123 N C -1.641 173.736 175.510 -0.222 0.000 1.214 123 N CA -0.940 52.047 53.050 -0.104 0.000 0.959 123 N CB 0.587 39.016 38.487 -0.097 0.000 1.142 123 N HN 0.052 nan 8.380 nan 0.000 0.455 124 P HA 0.162 nan 4.420 nan 0.000 0.255 124 P C 0.151 177.378 177.300 -0.123 0.000 1.248 124 P CA 0.165 63.182 63.100 -0.138 0.000 0.807 124 P CB 0.738 32.356 31.700 -0.136 0.000 1.150 125 L N -2.581 118.616 121.223 -0.043 0.000 5.621 125 L HA -0.170 4.174 4.340 0.006 0.000 0.281 125 L C 0.714 177.598 176.870 0.023 0.000 1.106 125 L CA 0.982 55.849 54.840 0.044 0.000 1.259 125 L CB -2.132 39.973 42.059 0.076 0.000 2.049 125 L HN 0.483 nan 8.230 nan 0.000 0.852 126 G N -1.907 106.975 108.800 0.137 0.000 2.707 126 G HA2 0.280 4.244 3.960 0.006 0.000 0.686 126 G HA3 0.280 4.244 3.960 0.006 0.000 0.686 126 G C -0.616 174.403 174.900 0.198 0.000 1.315 126 G CA -0.353 44.910 45.100 0.271 0.000 0.832 126 G HN 2.308 nan 8.290 nan 0.000 0.573 127 C N -0.914 118.518 119.300 0.221 0.000 3.314 127 C HA 0.837 5.301 4.460 0.006 0.000 0.344 127 C C 1.349 176.365 174.990 0.043 0.000 1.461 127 C CA 0.607 59.672 59.018 0.079 0.000 1.249 127 C CB 1.347 29.102 27.740 0.026 0.000 1.632 127 C HN 1.577 nan 8.230 nan 0.000 0.452 128 Q N 1.481 121.260 119.800 -0.035 0.000 2.245 128 Q HA -0.056 4.288 4.340 0.006 0.000 0.201 128 Q C 1.270 177.207 176.000 -0.105 0.000 0.955 128 Q CA 1.804 57.581 55.803 -0.043 0.000 0.870 128 Q CB -0.403 28.300 28.738 -0.058 0.000 0.945 128 Q HN 0.856 nan 8.270 nan 0.000 0.461 129 K N 1.200 121.461 120.400 -0.230 0.000 2.031 129 K HA 0.044 4.368 4.320 0.006 0.000 0.205 129 K C 2.248 178.643 176.600 -0.341 0.000 1.049 129 K CA 1.473 57.492 56.287 -0.448 0.000 0.939 129 K CB -0.897 31.076 32.500 -0.878 0.000 0.717 129 K HN 0.401 nan 8.250 nan 0.000 0.438 130 G N -0.069 108.498 108.800 -0.389 0.000 2.440 130 G HA2 -0.227 3.737 3.960 0.006 0.000 0.218 130 G HA3 -0.227 3.737 3.960 0.006 0.000 0.218 130 G C 1.403 176.061 174.900 -0.402 0.000 1.154 130 G CA 1.074 45.711 45.100 -0.771 0.000 0.767 130 G HN 0.265 nan 8.290 nan 0.000 0.552 131 S N 0.285 115.951 115.700 -0.057 0.000 2.607 131 S HA 0.322 4.795 4.470 0.006 0.000 0.224 131 S C 1.705 176.339 174.600 0.057 0.000 0.969 131 S CA 0.642 58.927 58.200 0.143 0.000 0.927 131 S CB 0.187 63.533 63.200 0.244 0.000 0.772 131 S HN 0.597 nan 8.310 nan 0.000 0.533 132 A N -0.568 122.246 122.820 -0.010 0.000 2.609 132 A HA 0.442 4.766 4.320 0.006 0.000 0.286 132 A C 0.905 178.431 177.584 -0.096 0.000 1.138 132 A CA -0.481 51.521 52.037 -0.059 0.000 0.960 132 A CB -0.385 18.619 19.000 0.007 0.000 1.208 132 A HN 0.395 nan 8.150 nan 0.000 0.541 133 F N 2.629 122.470 119.950 -0.183 0.000 2.333 133 F HA -0.193 4.338 4.527 0.006 0.000 0.300 133 F C 2.310 177.991 175.800 -0.197 0.000 1.083 133 F CA 1.749 59.596 58.000 -0.256 0.000 1.395 133 F CB -0.015 38.742 39.000 -0.405 0.000 1.056 133 F HN 0.594 nan 8.300 nan 0.000 0.529 134 N N 0.151 118.835 118.700 -0.026 0.000 2.258 134 N HA -0.272 4.471 4.740 0.006 0.000 0.187 134 N C 1.163 176.631 175.510 -0.071 0.000 1.012 134 N CA 1.654 54.734 53.050 0.050 0.000 0.870 134 N CB -0.937 37.647 38.487 0.161 0.000 0.977 134 N HN 0.394 nan 8.380 nan 0.000 0.434 135 N N 1.158 119.718 118.700 -0.232 0.000 2.270 135 N HA -0.063 4.681 4.740 0.006 0.000 0.181 135 N C 0.988 176.328 175.510 -0.282 0.000 1.016 135 N CA 0.808 53.742 53.050 -0.195 0.000 0.870 135 N CB -0.351 37.970 38.487 -0.276 0.000 0.979 135 N HN 0.410 nan 8.380 nan 0.000 0.431 136 N N 1.258 119.574 118.700 -0.640 0.000 2.120 136 N HA -0.007 4.737 4.740 0.006 0.000 0.188 136 N C 1.781 176.902 175.510 -0.650 0.000 1.024 136 N CA 0.608 53.155 53.050 -0.839 0.000 0.852 136 N CB -0.276 37.066 38.487 -1.909 0.000 1.003 136 N HN 0.186 nan 8.380 nan 0.000 0.424 137 L N -0.923 119.796 121.223 -0.840 0.000 2.265 137 L HA -0.122 4.222 4.340 0.006 0.000 0.215 137 L C 0.514 176.784 176.870 -1.000 0.000 1.117 137 L CA 1.018 55.374 54.840 -0.807 0.000 0.782 137 L CB -0.219 41.276 42.059 -0.940 0.000 0.914 137 L HN 0.316 nan 8.230 nan 0.000 0.441 138 Y N -0.833 119.435 120.300 -0.053 0.000 2.660 138 Y HA 0.376 4.930 4.550 0.006 0.000 0.254 138 Y C 1.194 177.099 175.900 0.009 0.000 1.176 138 Y CA -0.765 57.338 58.100 0.004 0.000 1.195 138 Y CB 0.010 38.479 38.460 0.016 0.000 1.190 138 Y HN -0.085 nan 8.280 nan 0.000 0.535 139 G N -0.315 108.505 108.800 0.032 0.000 2.451 139 G HA2 0.133 4.097 3.960 0.006 0.000 0.303 139 G HA3 0.133 4.097 3.960 0.006 0.000 0.303 139 G C 0.162 175.098 174.900 0.060 0.000 1.166 139 G CA -0.386 44.746 45.100 0.053 0.000 0.884 139 G HN 0.095 nan 8.290 nan 0.000 0.514 140 D N -0.012 120.422 120.400 0.058 0.000 2.378 140 D HA -0.070 4.574 4.640 0.006 0.000 0.227 140 D C 2.138 178.458 176.300 0.034 0.000 1.012 140 D CA 0.392 54.421 54.000 0.048 0.000 0.905 140 D CB 0.356 41.184 40.800 0.047 0.000 0.895 140 D HN 0.738 nan 8.370 nan 0.000 0.532 141 E N 0.593 120.817 120.200 0.041 0.000 2.482 141 E HA -0.083 4.271 4.350 0.006 0.000 0.196 141 E C 0.454 177.041 176.600 -0.022 0.000 1.047 141 E CA 0.140 56.557 56.400 0.029 0.000 0.869 141 E CB 0.075 29.818 29.700 0.071 0.000 0.836 141 E HN 0.197 nan 8.360 nan 0.000 0.520 142 R N 1.459 121.945 120.500 -0.023 0.000 2.390 142 R HA 0.250 4.594 4.340 0.006 0.000 0.291 142 R C 0.044 176.273 176.300 -0.118 0.000 1.070 142 R CA -0.259 55.778 56.100 -0.105 0.000 1.014 142 R CB 1.603 31.867 30.300 -0.061 0.000 1.007 142 R HN 0.017 nan 8.270 nan 0.000 0.466 143 V N 0.331 120.133 119.914 -0.187 0.000 2.383 143 V HA 0.302 4.426 4.120 0.006 0.000 0.275 143 V C 0.354 176.335 176.094 -0.187 0.000 1.036 143 V CA -0.430 61.760 62.300 -0.183 0.000 0.889 143 V CB 1.452 33.132 31.823 -0.238 0.000 0.985 143 V HN 0.799 nan 8.190 nan 0.000 0.459 144 K N 2.853 123.143 120.400 -0.184 0.000 2.412 144 K HA 0.363 4.686 4.320 0.006 0.000 0.202 144 K C -0.932 175.262 176.600 -0.676 0.000 1.102 144 K CA 0.090 56.157 56.287 -0.367 0.000 1.027 144 K CB 0.714 32.992 32.500 -0.369 0.000 0.931 144 K HN 0.769 nan 8.250 nan 0.000 0.557 145 Y N 0.288 120.542 120.300 -0.078 0.000 2.524 145 Y HA 0.308 4.861 4.550 0.006 0.000 0.347 145 Y C -2.636 173.123 175.900 -0.235 0.000 1.005 145 Y CA -3.105 54.933 58.100 -0.103 0.000 1.025 145 Y CB 1.241 39.662 38.460 -0.066 0.000 1.275 145 Y HN -0.177 nan 8.280 nan 0.000 0.460 146 P HA 0.162 nan 4.420 nan 0.000 0.267 146 P C -0.965 176.219 177.300 -0.192 0.000 1.205 146 P CA 0.339 63.208 63.100 -0.384 0.000 0.765 146 P CB 0.490 31.826 31.700 -0.606 0.000 0.828 147 L N 3.134 124.232 121.223 -0.208 0.000 2.346 147 L HA 0.566 4.910 4.340 0.006 0.000 0.274 147 L C 0.419 177.321 176.870 0.054 0.000 1.007 147 L CA -0.792 53.985 54.840 -0.106 0.000 0.818 147 L CB 2.030 43.856 42.059 -0.388 0.000 1.284 147 L HN 0.251 nan 8.230 nan 0.000 0.424 148 K N 2.727 123.255 120.400 0.213 0.000 2.345 148 K HA 0.413 4.736 4.320 0.006 0.000 0.255 148 K C -0.499 176.308 176.600 0.346 0.000 0.934 148 K CA -0.826 55.609 56.287 0.247 0.000 0.801 148 K CB 1.889 34.447 32.500 0.097 0.000 1.137 148 K HN 0.508 nan 8.250 nan 0.000 0.424 149 R N 3.091 123.732 120.500 0.234 0.000 2.570 149 R HA 0.026 4.370 4.340 0.006 0.000 0.277 149 R C -0.089 176.145 176.300 -0.110 0.000 1.039 149 R CA 0.073 56.090 56.100 -0.138 0.000 1.065 149 R CB 0.578 30.750 30.300 -0.214 0.000 0.964 149 R HN 0.557 nan 8.270 nan 0.000 0.428 150 V N 3.719 123.515 119.914 -0.195 0.000 2.908 150 V HA 0.188 4.312 4.120 0.006 0.000 0.240 150 V C 1.236 177.238 176.094 -0.153 0.000 1.117 150 V CA 1.313 63.537 62.300 -0.127 0.000 1.133 150 V CB 0.366 32.139 31.823 -0.084 0.000 0.857 150 V HN 0.972 nan 8.190 nan 0.000 0.478 151 G N -0.163 108.500 108.800 -0.227 0.000 2.714 151 G HA2 0.297 4.261 3.960 0.006 0.000 0.197 151 G HA3 0.297 4.261 3.960 0.006 0.000 0.197 151 G C -0.295 174.490 174.900 -0.192 0.000 1.449 151 G CA -0.384 44.602 45.100 -0.191 0.000 1.065 151 G HN 0.099 nan 8.290 nan 0.000 0.575 152 K N 0.335 120.629 120.400 -0.177 0.000 2.138 152 K HA 0.229 4.552 4.320 0.006 0.000 0.251 152 K C 0.344 176.823 176.600 -0.201 0.000 1.015 152 K CA -0.293 55.906 56.287 -0.147 0.000 0.917 152 K CB 0.672 33.106 32.500 -0.110 0.000 1.021 152 K HN 0.352 nan 8.250 nan 0.000 0.485 153 R N -0.105 120.316 120.500 -0.132 0.000 2.502 153 R HA 0.061 4.404 4.340 0.006 0.000 0.292 153 R C 1.035 177.201 176.300 -0.223 0.000 0.998 153 R CA 1.204 57.224 56.100 -0.133 0.000 1.056 153 R CB -0.251 30.059 30.300 0.018 0.000 0.939 153 R HN 0.953 nan 8.270 nan 0.000 0.411 154 G N 2.133 110.646 108.800 -0.478 0.000 2.176 154 G HA2 -0.347 3.616 3.960 0.006 0.000 0.253 154 G HA3 -0.347 3.616 3.960 0.006 0.000 0.253 154 G C 0.704 175.288 174.900 -0.527 0.000 0.979 154 G CA 0.417 45.045 45.100 -0.788 0.000 0.641 154 G HN 0.704 nan 8.290 nan 0.000 0.530 155 E N 0.251 120.211 120.200 -0.399 0.000 2.358 155 E HA 0.323 4.677 4.350 0.006 0.000 0.195 155 E C 1.905 178.352 176.600 -0.255 0.000 1.010 155 E CA 0.980 57.195 56.400 -0.309 0.000 0.856 155 E CB -0.435 29.110 29.700 -0.258 0.000 0.795 155 E HN 1.592 nan 8.360 nan 0.000 0.504 156 G N 1.544 110.160 108.800 -0.306 0.000 2.171 156 G HA2 -0.268 3.695 3.960 0.006 0.000 0.238 156 G HA3 -0.268 3.695 3.960 0.006 0.000 0.238 156 G C -0.338 174.433 174.900 -0.214 0.000 1.039 156 G CA 0.310 45.323 45.100 -0.145 0.000 0.759 156 G HN 0.165 nan 8.290 nan 0.000 0.501 157 K N -0.455 119.659 120.400 -0.477 0.000 2.425 157 K HA 0.551 4.874 4.320 0.006 0.000 0.259 157 K C -0.722 175.612 176.600 -0.442 0.000 0.978 157 K CA -0.559 55.541 56.287 -0.311 0.000 0.883 157 K CB 1.277 33.646 32.500 -0.218 0.000 1.110 157 K HN 0.268 nan 8.250 nan 0.000 0.436 158 W N 2.453 123.749 121.300 -0.006 0.000 2.950 158 W HA 0.380 5.043 4.660 0.006 0.000 0.340 158 W C -0.388 176.122 176.519 -0.014 0.000 1.139 158 W CA -0.894 56.446 57.345 -0.009 0.000 1.188 158 W CB 1.669 31.130 29.460 0.001 0.000 1.426 158 W HN 0.358 nan 8.180 nan 0.000 0.531 159 K N 1.392 121.953 120.400 0.269 0.000 2.426 159 K HA 0.648 4.971 4.320 0.006 0.000 0.251 159 K C -0.753 175.904 176.600 0.095 0.000 0.941 159 K CA -1.140 55.227 56.287 0.132 0.000 0.808 159 K CB 2.474 35.017 32.500 0.072 0.000 1.265 159 K HN 0.539 nan 8.250 nan 0.000 0.432 160 R N 1.978 122.497 120.500 0.032 0.000 2.491 160 R HA 0.225 4.569 4.340 0.006 0.000 0.283 160 R C -0.256 176.037 176.300 -0.012 0.000 1.072 160 R CA -0.328 55.767 56.100 -0.009 0.000 1.048 160 R CB 0.646 30.902 30.300 -0.072 0.000 0.983 160 R HN 0.623 nan 8.270 nan 0.000 0.450 161 V N 0.182 120.081 119.914 -0.026 0.000 3.167 161 V HA 0.592 4.716 4.120 0.006 0.000 0.310 161 V C -0.299 175.776 176.094 -0.032 0.000 1.207 161 V CA -0.897 61.387 62.300 -0.026 0.000 1.059 161 V CB 1.665 33.470 31.823 -0.029 0.000 1.079 161 V HN 0.924 nan 8.190 nan 0.000 0.446 162 S N -0.673 115.026 115.700 -0.001 0.000 2.603 162 S HA 0.268 4.741 4.470 0.006 0.000 0.268 162 S C 0.345 174.965 174.600 0.033 0.000 1.317 162 S CA -0.057 58.175 58.200 0.054 0.000 1.012 162 S CB 0.508 63.759 63.200 0.085 0.000 0.926 162 S HN 0.880 nan 8.310 nan 0.000 0.539 163 W N 0.973 122.289 121.300 0.026 0.000 2.342 163 W HA -0.089 4.575 4.660 0.006 0.000 0.297 163 W C 2.115 178.623 176.519 -0.019 0.000 1.213 163 W CA 1.663 59.012 57.345 0.006 0.000 1.251 163 W CB -0.474 28.992 29.460 0.011 0.000 1.136 163 W HN 0.918 nan 8.180 nan 0.000 0.526 164 D N -0.192 120.339 120.400 0.218 0.000 2.097 164 D HA -0.259 4.385 4.640 0.006 0.000 0.195 164 D C 1.979 178.304 176.300 0.040 0.000 0.989 164 D CA 1.904 55.965 54.000 0.103 0.000 0.827 164 D CB -0.167 40.674 40.800 0.068 0.000 0.966 164 D HN 0.252 nan 8.370 nan 0.000 0.456 165 E N -0.397 119.817 120.200 0.024 0.000 2.051 165 E HA -0.193 4.160 4.350 0.006 0.000 0.192 165 E C 1.964 178.543 176.600 -0.036 0.000 0.991 165 E CA 1.158 57.550 56.400 -0.012 0.000 0.799 165 E CB -0.195 29.497 29.700 -0.013 0.000 0.748 165 E HN 0.289 nan 8.360 nan 0.000 0.449 166 A N 1.237 124.026 122.820 -0.053 0.000 1.877 166 A HA -0.062 4.262 4.320 0.006 0.000 0.216 166 A C 2.452 179.977 177.584 -0.099 0.000 1.186 166 A CA 1.893 53.870 52.037 -0.101 0.000 0.620 166 A CB -0.956 17.920 19.000 -0.206 0.000 0.822 166 A HN 0.438 nan 8.150 nan 0.000 0.443 167 A N -0.554 122.250 122.820 -0.027 0.000 1.933 167 A HA 0.146 4.470 4.320 0.006 0.000 0.218 167 A C 2.372 179.890 177.584 -0.109 0.000 1.175 167 A CA 1.865 53.877 52.037 -0.042 0.000 0.628 167 A CB -1.313 17.735 19.000 0.079 0.000 0.814 167 A HN 0.719 nan 8.150 nan 0.000 0.444 168 G N -0.107 108.646 108.800 -0.078 0.000 2.418 168 G HA2 -0.236 3.727 3.960 0.006 0.000 0.217 168 G HA3 -0.236 3.727 3.960 0.006 0.000 0.217 168 G C 1.128 175.956 174.900 -0.120 0.000 1.158 168 G CA 1.218 46.260 45.100 -0.097 0.000 0.771 168 G HN 0.455 nan 8.290 nan 0.000 0.545 169 D N 0.572 120.906 120.400 -0.110 0.000 2.117 169 D HA -0.052 4.591 4.640 0.006 0.000 0.198 169 D C 2.543 178.749 176.300 -0.156 0.000 0.982 169 D CA 0.409 54.344 54.000 -0.108 0.000 0.828 169 D CB -0.181 40.573 40.800 -0.077 0.000 0.967 169 D HN 0.376 nan 8.370 nan 0.000 0.464 170 I N 1.112 121.542 120.570 -0.232 0.000 2.179 170 I HA -0.261 3.912 4.170 0.006 0.000 0.242 170 I C 2.458 178.378 176.117 -0.327 0.000 1.088 170 I CA 1.118 62.188 61.300 -0.382 0.000 1.357 170 I CB -0.217 37.366 38.000 -0.695 0.000 1.051 170 I HN -0.070 nan 8.210 nan 0.000 0.409 171 A N 0.327 122.977 122.820 -0.283 0.000 1.902 171 A HA -0.241 4.082 4.320 0.006 0.000 0.217 171 A C 2.003 179.429 177.584 -0.264 0.000 1.181 171 A CA 2.022 53.892 52.037 -0.278 0.000 0.623 171 A CB -0.607 18.253 19.000 -0.232 0.000 0.818 171 A HN 0.334 nan 8.150 nan 0.000 0.443 172 D N 0.005 120.282 120.400 -0.206 0.000 2.123 172 D HA -0.142 4.502 4.640 0.006 0.000 0.196 172 D C 2.510 178.714 176.300 -0.160 0.000 0.992 172 D CA 1.857 55.752 54.000 -0.176 0.000 0.833 172 D CB -0.273 40.452 40.800 -0.126 0.000 0.954 172 D HN 0.584 nan 8.370 nan 0.000 0.455 173 S N 0.105 115.720 115.700 -0.142 0.000 2.383 173 S HA -0.097 4.376 4.470 0.006 0.000 0.227 173 S C 2.283 176.808 174.600 -0.124 0.000 1.026 173 S CA 0.468 58.615 58.200 -0.089 0.000 0.981 173 S CB -0.564 62.613 63.200 -0.038 0.000 0.818 173 S HN 0.249 nan 8.310 nan 0.000 0.472 174 I N 1.511 121.936 120.570 -0.240 0.000 2.142 174 I HA -0.167 4.007 4.170 0.006 0.000 0.240 174 I C 2.488 178.219 176.117 -0.645 0.000 1.078 174 I CA 1.560 62.559 61.300 -0.502 0.000 1.343 174 I CB -0.469 37.142 38.000 -0.649 0.000 1.046 174 I HN 0.295 nan 8.210 nan 0.000 0.405 175 I N 0.629 120.937 120.570 -0.436 0.000 2.163 175 I HA -0.335 3.839 4.170 0.006 0.000 0.243 175 I C 2.170 178.238 176.117 -0.080 0.000 1.085 175 I CA 1.480 62.613 61.300 -0.280 0.000 1.347 175 I CB -0.580 37.206 38.000 -0.358 0.000 1.044 175 I HN 0.252 nan 8.210 nan 0.000 0.408 176 D N 0.200 120.551 120.400 -0.080 0.000 2.116 176 D HA -0.206 4.438 4.640 0.006 0.000 0.193 176 D C 2.305 178.651 176.300 0.077 0.000 0.998 176 D CA 1.791 55.791 54.000 0.001 0.000 0.836 176 D CB -0.265 40.529 40.800 -0.010 0.000 0.951 176 D HN 0.204 nan 8.370 nan 0.000 0.449 177 S N -0.851 114.902 115.700 0.089 0.000 2.387 177 S HA -0.095 4.378 4.470 0.006 0.000 0.226 177 S C 1.847 176.663 174.600 0.359 0.000 1.026 177 S CA 0.396 58.715 58.200 0.198 0.000 0.972 177 S CB -0.258 63.071 63.200 0.214 0.000 0.814 177 S HN 0.024 nan 8.310 nan 0.000 0.477 178 F N 2.358 122.343 119.950 0.059 0.000 2.134 178 F HA 0.063 4.594 4.527 0.006 0.000 0.299 178 F C 2.635 178.522 175.800 0.145 0.000 1.097 178 F CA 0.826 58.874 58.000 0.080 0.000 1.264 178 F CB -1.063 37.934 39.000 -0.005 0.000 1.001 178 F HN 0.256 nan 8.300 nan 0.000 0.479 179 E N 0.069 120.479 120.200 0.350 0.000 2.077 179 E HA -0.149 4.205 4.350 0.006 0.000 0.193 179 E C 2.449 179.150 176.600 0.169 0.000 0.989 179 E CA 1.209 57.754 56.400 0.241 0.000 0.800 179 E CB -0.635 29.172 29.700 0.178 0.000 0.746 179 E HN 0.303 nan 8.360 nan 0.000 0.452 180 A N 1.028 123.939 122.820 0.153 0.000 1.930 180 A HA -0.180 4.144 4.320 0.006 0.000 0.217 180 A C 1.799 179.450 177.584 0.111 0.000 1.175 180 A CA 1.949 54.056 52.037 0.116 0.000 0.627 180 A CB -0.136 18.926 19.000 0.104 0.000 0.815 180 A HN 0.364 nan 8.150 nan 0.000 0.443 181 Q N -3.340 116.539 119.800 0.131 0.000 1.870 181 Q HA 0.433 4.776 4.340 0.006 0.000 0.182 181 Q C 0.469 176.519 176.000 0.084 0.000 0.779 181 Q CA 0.167 56.032 55.803 0.103 0.000 0.912 181 Q CB -0.582 28.217 28.738 0.102 0.000 1.234 181 Q HN 1.299 nan 8.270 nan 0.000 0.404 182 G N 1.943 110.795 108.800 0.085 0.000 2.698 182 G HA2 -0.383 3.580 3.960 0.006 0.000 0.233 182 G HA3 -0.383 3.580 3.960 0.006 0.000 0.233 182 G C 0.496 175.281 174.900 -0.191 0.000 1.352 182 G CA 0.206 45.297 45.100 -0.016 0.000 0.879 182 G HN 0.754 nan 8.290 nan 0.000 0.567 183 S N -0.980 114.511 115.700 -0.348 0.000 2.522 183 S HA 0.040 4.514 4.470 0.006 0.000 0.227 183 S C 1.456 175.965 174.600 -0.151 0.000 0.986 183 S CA 1.598 59.415 58.200 -0.639 0.000 0.929 183 S CB 0.168 63.088 63.200 -0.467 0.000 0.769 183 S HN 0.568 nan 8.310 nan 0.000 0.529 184 D N 2.142 122.527 120.400 -0.025 0.000 2.351 184 D HA 0.050 4.694 4.640 0.006 0.000 0.216 184 D C 1.821 178.160 176.300 0.065 0.000 0.968 184 D CA 1.015 55.034 54.000 0.031 0.000 0.899 184 D CB -0.675 40.154 40.800 0.048 0.000 0.907 184 D HN 0.613 nan 8.370 nan 0.000 0.514 185 G N -0.831 108.054 108.800 0.143 0.000 2.650 185 G HA2 -0.097 3.867 3.960 0.006 0.000 0.214 185 G HA3 -0.097 3.867 3.960 0.006 0.000 0.214 185 G C 0.263 175.309 174.900 0.243 0.000 1.136 185 G CA -0.264 44.949 45.100 0.187 0.000 0.789 185 G HN 0.204 nan 8.290 nan 0.000 0.536 186 F N 1.104 121.149 119.950 0.158 0.000 2.415 186 F HA 0.674 5.205 4.527 0.006 0.000 0.348 186 F C -0.628 175.165 175.800 -0.012 0.000 1.119 186 F CA -1.539 56.541 58.000 0.134 0.000 1.069 186 F CB 1.137 40.299 39.000 0.271 0.000 1.124 186 F HN -0.196 nan 8.300 nan 0.000 0.472 187 I N 7.848 127.992 120.570 -0.710 0.000 2.468 187 I HA 0.232 4.406 4.170 0.006 0.000 0.285 187 I C -1.443 174.083 176.117 -0.984 0.000 1.039 187 I CA -1.031 59.860 61.300 -0.682 0.000 1.074 187 I CB 1.861 39.494 38.000 -0.611 0.000 1.228 187 I HN 0.407 nan 8.210 nan 0.000 0.436 188 L N 6.433 127.249 121.223 -0.679 0.000 2.270 188 L HA 0.401 4.744 4.340 0.006 0.000 0.286 188 L C -0.241 176.372 176.870 -0.429 0.000 1.059 188 L CA 0.062 54.580 54.840 -0.536 0.000 0.839 188 L CB 0.459 42.407 42.059 -0.185 0.000 1.221 188 L HN 0.412 nan 8.230 nan 0.000 0.431 189 D N 5.670 125.745 120.400 -0.543 0.000 2.374 189 D HA 0.369 5.012 4.640 0.006 0.000 0.240 189 D C 0.749 176.991 176.300 -0.096 0.000 1.229 189 D CA 0.770 54.587 54.000 -0.306 0.000 0.895 189 D CB 0.549 41.219 40.800 -0.216 0.000 1.046 189 D HN 0.894 nan 8.370 nan 0.000 0.498 190 A N 4.118 126.923 122.820 -0.025 0.000 2.560 190 A HA -0.137 4.187 4.320 0.006 0.000 0.299 190 A C -2.139 175.485 177.584 0.067 0.000 1.484 190 A CA 0.133 52.207 52.037 0.062 0.000 0.749 190 A CB -1.644 17.414 19.000 0.096 0.000 1.072 190 A HN 0.519 nan 8.150 nan 0.000 0.426 191 P HA 0.217 nan 4.420 nan 0.000 0.271 191 P C 0.290 177.748 177.300 0.263 0.000 1.216 191 P CA 0.293 63.463 63.100 0.118 0.000 0.771 191 P CB 0.691 32.401 31.700 0.017 0.000 0.864 192 H N 1.753 120.880 119.070 0.095 0.000 2.417 192 H HA 0.241 4.801 4.556 0.006 0.000 0.325 192 H C 0.733 176.063 175.328 0.004 0.000 1.549 192 H CA -0.435 55.556 56.048 -0.093 0.000 1.476 192 H CB 0.936 30.373 29.762 -0.542 0.000 1.732 192 H HN 0.010 nan 8.280 nan 0.000 0.695 193 V N 1.756 121.760 119.914 0.150 0.000 3.483 193 V HA -0.008 4.116 4.120 0.006 0.000 0.301 193 V C 1.697 177.849 176.094 0.097 0.000 1.389 193 V CA -0.024 62.367 62.300 0.152 0.000 1.101 193 V CB -0.716 31.138 31.823 0.051 0.000 0.971 193 V HN 0.629 nan 8.190 nan 0.000 0.434 194 H N 1.493 120.685 119.070 0.202 0.000 2.421 194 H HA -0.017 4.543 4.556 0.006 0.000 0.298 194 H C 2.313 177.844 175.328 0.338 0.000 1.087 194 H CA 1.596 57.766 56.048 0.204 0.000 1.330 194 H CB -0.150 29.736 29.762 0.206 0.000 1.388 194 H HN 0.506 nan 8.280 nan 0.000 0.526 195 A N 0.625 123.701 122.820 0.428 0.000 2.167 195 A HA 0.336 4.660 4.320 0.006 0.000 0.214 195 A C 1.231 179.048 177.584 0.388 0.000 1.151 195 A CA 0.929 53.213 52.037 0.411 0.000 0.735 195 A CB -0.194 18.988 19.000 0.304 0.000 0.802 195 A HN 0.592 nan 8.150 nan 0.000 0.467 196 G N -1.697 107.303 108.800 0.333 0.000 2.528 196 G HA2 0.189 4.152 3.960 0.006 0.000 0.681 196 G HA3 0.189 4.152 3.960 0.006 0.000 0.681 196 G C 0.519 175.612 174.900 0.321 0.000 1.340 196 G CA 0.239 45.513 45.100 0.289 0.000 0.855 196 G HN 1.090 nan 8.290 nan 0.000 0.649 197 S N 0.207 116.075 115.700 0.280 0.000 2.387 197 S HA -0.144 4.329 4.470 0.006 0.000 0.230 197 S C 2.267 177.101 174.600 0.390 0.000 1.035 197 S CA 1.897 60.282 58.200 0.308 0.000 1.014 197 S CB -0.305 63.039 63.200 0.240 0.000 0.836 197 S HN 0.739 nan 8.310 nan 0.000 0.466 198 I N 2.040 122.818 120.570 0.346 0.000 2.333 198 I HA -0.017 4.156 4.170 0.006 0.000 0.246 198 I C 3.054 179.466 176.117 0.492 0.000 1.106 198 I CA 0.902 62.421 61.300 0.365 0.000 1.411 198 I CB -0.645 37.506 38.000 0.252 0.000 1.082 198 I HN 0.404 nan 8.210 nan 0.000 0.420 199 A N 0.236 123.315 122.820 0.431 0.000 1.902 199 A HA -0.268 4.056 4.320 0.006 0.000 0.217 199 A C 2.118 179.924 177.584 0.370 0.000 1.181 199 A CA 1.446 53.721 52.037 0.397 0.000 0.623 199 A CB -1.146 18.056 19.000 0.337 0.000 0.818 199 A HN 0.643 nan 8.150 nan 0.000 0.443 200 W N 0.536 121.992 121.300 0.260 0.000 2.354 200 W HA -0.054 4.610 4.660 0.006 0.000 0.315 200 W C 2.324 179.025 176.519 0.302 0.000 1.206 200 W CA 2.221 59.704 57.345 0.229 0.000 1.290 200 W CB -0.605 28.957 29.460 0.169 0.000 1.152 200 W HN 0.295 nan 8.180 nan 0.000 0.489 201 G N 0.445 109.645 108.800 0.668 0.000 2.529 201 G HA2 -0.378 3.585 3.960 0.006 0.000 0.219 201 G HA3 -0.378 3.585 3.960 0.006 0.000 0.219 201 G C 1.587 176.725 174.900 0.395 0.000 1.177 201 G CA 2.127 47.572 45.100 0.575 0.000 0.773 201 G HN 0.534 nan 8.290 nan 0.000 0.573 202 A N 0.782 123.876 122.820 0.457 0.000 1.865 202 A HA 0.092 4.416 4.320 0.006 0.000 0.217 202 A C 2.773 180.456 177.584 0.164 0.000 1.191 202 A CA 2.412 54.619 52.037 0.284 0.000 0.623 202 A CB -1.247 17.981 19.000 0.379 0.000 0.826 202 A HN 0.675 nan 8.150 nan 0.000 0.444 203 G N -1.523 107.309 108.800 0.054 0.000 2.418 203 G HA2 -0.189 3.775 3.960 0.006 0.000 0.217 203 G HA3 -0.189 3.775 3.960 0.006 0.000 0.217 203 G C 1.458 176.312 174.900 -0.077 0.000 1.158 203 G CA 1.177 46.253 45.100 -0.039 0.000 0.771 203 G HN 0.490 nan 8.290 nan 0.000 0.545 204 F N 1.592 121.278 119.950 -0.439 0.000 2.146 204 F HA 0.062 4.593 4.527 0.006 0.000 0.298 204 F C 2.578 178.325 175.800 -0.087 0.000 1.096 204 F CA 1.500 59.234 58.000 -0.444 0.000 1.275 204 F CB -0.364 38.085 39.000 -0.918 0.000 1.008 204 F HN 0.102 nan 8.300 nan 0.000 0.480 205 R N 0.143 120.526 120.500 -0.196 0.000 2.081 205 R HA -0.205 4.139 4.340 0.006 0.000 0.235 205 R C 2.508 178.813 176.300 0.008 0.000 1.131 205 R CA 1.866 57.882 56.100 -0.140 0.000 0.960 205 R CB -0.512 29.751 30.300 -0.061 0.000 0.856 205 R HN 0.449 nan 8.270 nan 0.000 0.436 206 M N 0.160 119.814 119.600 0.090 0.000 2.065 206 M HA -0.175 4.308 4.480 0.006 0.000 0.259 206 M C 1.562 177.815 176.300 -0.078 0.000 1.069 206 M CA 2.337 57.616 55.300 -0.034 0.000 1.110 206 M CB -0.195 32.319 32.600 -0.145 0.000 1.328 206 M HN 0.191 nan 8.290 nan 0.000 0.405 207 T N -0.189 114.356 114.554 -0.015 0.000 2.708 207 T HA -0.201 4.153 4.350 0.006 0.000 0.266 207 T C 1.498 176.222 174.700 0.040 0.000 1.037 207 T CA 1.625 63.761 62.100 0.060 0.000 1.146 207 T CB -0.710 68.266 68.868 0.180 0.000 0.865 207 T HN 0.528 nan 8.240 nan 0.000 0.435 208 Y N 2.071 122.242 120.300 -0.216 0.000 2.128 208 Y HA -0.076 4.478 4.550 0.006 0.000 0.284 208 Y C 1.980 177.808 175.900 -0.121 0.000 1.154 208 Y CA 0.842 58.797 58.100 -0.241 0.000 1.149 208 Y CB -0.803 37.319 38.460 -0.564 0.000 0.976 208 Y HN 0.140 nan 8.280 nan 0.000 0.505 209 L N -0.558 120.505 121.223 -0.267 0.000 2.131 209 L HA -0.256 4.088 4.340 0.006 0.000 0.210 209 L C 2.317 179.136 176.870 -0.085 0.000 1.092 209 L CA 1.554 56.235 54.840 -0.266 0.000 0.759 209 L CB -0.423 41.571 42.059 -0.109 0.000 0.903 209 L HN 0.307 nan 8.230 nan 0.000 0.435 210 M N -1.276 118.307 119.600 -0.029 0.000 2.502 210 M HA -0.009 4.474 4.480 0.006 0.000 0.243 210 M C 0.254 176.601 176.300 0.077 0.000 1.130 210 M CA 0.224 55.571 55.300 0.078 0.000 1.055 210 M CB -0.052 32.515 32.600 -0.055 0.000 1.457 210 M HN 0.060 nan 8.290 nan 0.000 0.488 211 D N 1.610 122.032 120.400 0.038 0.000 2.708 211 D HA -0.115 4.528 4.640 0.006 0.000 0.236 211 D C 0.314 176.644 176.300 0.049 0.000 1.146 211 D CA 0.871 54.912 54.000 0.068 0.000 0.662 211 D CB -0.709 40.153 40.800 0.103 0.000 1.059 211 D HN 0.516 nan 8.370 nan 0.000 0.428 212 G N -1.118 107.741 108.800 0.098 0.000 2.588 212 G HA2 0.498 4.461 3.960 0.006 0.000 0.278 212 G HA3 0.498 4.461 3.960 0.006 0.000 0.278 212 G C -0.137 174.839 174.900 0.126 0.000 1.307 212 G CA -0.170 45.064 45.100 0.224 0.000 1.016 212 G HN 0.357 nan 8.290 nan 0.000 0.503 213 V N 0.183 120.146 119.914 0.083 0.000 2.398 213 V HA 0.469 4.592 4.120 0.006 0.000 0.286 213 V C -0.202 175.834 176.094 -0.096 0.000 1.026 213 V CA -0.542 61.729 62.300 -0.049 0.000 0.868 213 V CB 1.539 33.282 31.823 -0.135 0.000 0.982 213 V HN 0.632 nan 8.190 nan 0.000 0.443 214 S N 6.299 121.970 115.700 -0.048 0.000 2.399 214 S HA 0.396 4.870 4.470 0.006 0.000 0.215 214 S C -2.687 171.904 174.600 -0.015 0.000 1.456 214 S CA -1.117 57.052 58.200 -0.052 0.000 1.199 214 S CB 1.068 64.286 63.200 0.031 0.000 1.063 214 S HN 0.532 nan 8.310 nan 0.000 0.476 215 P HA -0.064 nan 4.420 nan 0.000 0.263 215 P C -0.107 177.278 177.300 0.142 0.000 1.175 215 P CA 0.116 63.237 63.100 0.035 0.000 0.761 215 P CB 0.364 32.076 31.700 0.020 0.000 0.794 216 D N 3.068 123.597 120.400 0.215 0.000 2.412 216 D HA -0.076 4.568 4.640 0.006 0.000 0.257 216 D C 1.241 177.653 176.300 0.186 0.000 1.217 216 D CA 0.026 54.212 54.000 0.309 0.000 0.897 216 D CB 0.381 41.393 40.800 0.355 0.000 1.132 216 D HN 0.173 nan 8.370 nan 0.000 0.493 217 I N 5.249 125.939 120.570 0.200 0.000 2.127 217 I HA -0.296 3.878 4.170 0.006 0.000 0.241 217 I C 1.486 177.529 176.117 -0.123 0.000 1.075 217 I CA 1.740 63.050 61.300 0.017 0.000 1.334 217 I CB -0.324 37.665 38.000 -0.019 0.000 1.040 217 I HN 0.385 nan 8.210 nan 0.000 0.405 218 N N -0.353 118.244 118.700 -0.172 0.000 2.188 218 N HA -0.104 4.639 4.740 0.006 0.000 0.184 218 N C 1.762 177.165 175.510 -0.178 0.000 1.018 218 N CA 1.593 54.508 53.050 -0.225 0.000 0.858 218 N CB -0.159 38.187 38.487 -0.235 0.000 0.989 218 N HN 0.301 nan 8.380 nan 0.000 0.426 219 V N 0.326 120.178 119.914 -0.104 0.000 2.515 219 V HA -0.170 3.954 4.120 0.006 0.000 0.250 219 V C 1.685 177.722 176.094 -0.095 0.000 1.058 219 V CA 1.663 63.904 62.300 -0.099 0.000 1.064 219 V CB -0.474 31.322 31.823 -0.044 0.000 0.675 219 V HN 0.315 nan 8.190 nan 0.000 0.461 220 D N 0.440 120.811 120.400 -0.049 0.000 2.123 220 D HA -0.123 4.521 4.640 0.006 0.000 0.200 220 D C 2.010 178.272 176.300 -0.064 0.000 0.976 220 D CA 1.514 55.502 54.000 -0.021 0.000 0.831 220 D CB -0.078 40.756 40.800 0.056 0.000 0.974 220 D HN 0.560 nan 8.370 nan 0.000 0.469 221 I N -3.631 116.882 120.570 -0.094 0.000 2.406 221 I HA 0.232 4.405 4.170 0.006 0.000 0.249 221 I C 1.411 177.464 176.117 -0.108 0.000 1.122 221 I CA 0.977 62.225 61.300 -0.086 0.000 1.431 221 I CB -0.406 37.548 38.000 -0.077 0.000 1.087 221 I HN 0.157 nan 8.210 nan 0.000 0.424 222 G N 2.075 110.773 108.800 -0.171 0.000 2.215 222 G HA2 -0.168 3.796 3.960 0.006 0.000 0.198 222 G HA3 -0.168 3.796 3.960 0.006 0.000 0.198 222 G C -0.800 173.928 174.900 -0.287 0.000 1.047 222 G CA -0.071 44.916 45.100 -0.189 0.000 0.747 222 G HN 0.469 nan 8.290 nan 0.000 0.495 223 D N 0.829 120.942 120.400 -0.479 0.000 2.477 223 D HA 0.623 5.267 4.640 0.006 0.000 0.239 223 D C 0.164 176.014 176.300 -0.751 0.000 1.102 223 D CA 0.527 53.938 54.000 -0.982 0.000 0.901 223 D CB 1.482 41.352 40.800 -1.549 0.000 1.026 223 D HN 0.225 nan 8.370 nan 0.000 0.515 224 T N 0.883 115.048 114.554 -0.649 0.000 2.802 224 T HA 0.434 4.788 4.350 0.006 0.000 0.311 224 T C -1.883 172.327 174.700 -0.816 0.000 1.405 224 T CA -0.454 61.286 62.100 -0.600 0.000 1.016 224 T CB 0.715 69.353 68.868 -0.383 0.000 1.352 224 T HN 0.083 nan 8.240 nan 0.000 0.498 225 Y N 3.394 123.483 120.300 -0.353 0.000 2.705 225 Y HA 0.369 4.923 4.550 0.006 0.000 0.355 225 Y C 1.262 177.085 175.900 -0.128 0.000 1.039 225 Y CA -0.865 57.085 58.100 -0.250 0.000 1.233 225 Y CB 0.901 39.125 38.460 -0.393 0.000 1.103 225 Y HN 0.488 nan 8.280 nan 0.000 0.624 226 M N -0.115 119.443 119.600 -0.069 0.000 2.374 226 M HA -0.041 4.442 4.480 0.006 0.000 0.264 226 M C 2.029 178.212 176.300 -0.196 0.000 1.067 226 M CA 1.141 56.289 55.300 -0.253 0.000 1.103 226 M CB -0.830 31.537 32.600 -0.388 0.000 1.402 226 M HN 0.813 nan 8.290 nan 0.000 0.444 227 G N -0.174 108.674 108.800 0.080 0.000 2.403 227 G HA2 0.006 3.970 3.960 0.006 0.000 0.216 227 G HA3 0.006 3.970 3.960 0.006 0.000 0.216 227 G C 1.668 176.703 174.900 0.226 0.000 1.154 227 G CA 0.910 46.124 45.100 0.191 0.000 0.784 227 G HN 0.512 nan 8.290 nan 0.000 0.538 228 A N 0.538 123.582 122.820 0.375 0.000 1.873 228 A HA 0.078 4.402 4.320 0.006 0.000 0.215 228 A C 2.147 179.853 177.584 0.203 0.000 1.186 228 A CA 1.435 53.638 52.037 0.278 0.000 0.616 228 A CB -0.609 18.719 19.000 0.547 0.000 0.823 228 A HN 0.298 nan 8.150 nan 0.000 0.442 229 F N 0.604 120.562 119.950 0.012 0.000 2.126 229 F HA -0.213 4.318 4.527 0.006 0.000 0.299 229 F C 2.266 178.101 175.800 0.057 0.000 1.096 229 F CA 2.100 60.090 58.000 -0.016 0.000 1.255 229 F CB -0.615 38.272 39.000 -0.188 0.000 0.997 229 F HN 0.474 nan 8.300 nan 0.000 0.479 230 H N -2.522 116.579 119.070 0.052 0.000 2.512 230 H HA -0.023 4.536 4.556 0.006 0.000 0.279 230 H C 1.921 177.106 175.328 -0.237 0.000 0.999 230 H CA 1.054 57.074 56.048 -0.046 0.000 1.283 230 H CB 0.155 29.968 29.762 0.085 0.000 1.421 230 H HN 0.186 nan 8.280 nan 0.000 0.554 231 T N -0.017 114.355 114.554 -0.303 0.000 2.901 231 T HA -0.037 4.317 4.350 0.006 0.000 0.252 231 T C 1.005 175.159 174.700 -0.910 0.000 1.035 231 T CA 0.868 62.478 62.100 -0.818 0.000 1.142 231 T CB -0.031 68.057 68.868 -1.299 0.000 0.869 231 T HN 0.183 nan 8.240 nan 0.000 0.442 232 F N 0.421 120.125 119.950 -0.410 0.000 2.731 232 F HA 0.447 4.978 4.527 0.006 0.000 0.298 232 F C 1.973 177.700 175.800 -0.122 0.000 1.106 232 F CA -0.185 57.592 58.000 -0.372 0.000 1.329 232 F CB -0.315 38.483 39.000 -0.337 0.000 1.100 232 F HN 0.305 nan 8.300 nan 0.000 0.592 233 G N 0.813 109.596 108.800 -0.028 0.000 2.159 233 G HA2 -0.252 3.711 3.960 0.006 0.000 0.256 233 G HA3 -0.252 3.711 3.960 0.006 0.000 0.256 233 G C 0.181 175.073 174.900 -0.013 0.000 0.977 233 G CA 0.570 45.594 45.100 -0.126 0.000 0.652 233 G HN 0.415 nan 8.290 nan 0.000 0.531 234 K N -1.126 119.403 120.400 0.215 0.000 2.607 234 K HA 0.656 4.980 4.320 0.006 0.000 0.287 234 K C 0.343 177.204 176.600 0.435 0.000 0.996 234 K CA -0.514 56.021 56.287 0.414 0.000 0.876 234 K CB 0.396 33.097 32.500 0.335 0.000 1.496 234 K HN 0.730 nan 8.250 nan 0.000 0.415 235 M N -1.114 118.715 119.600 0.381 0.000 2.231 235 M HA 0.310 4.794 4.480 0.006 0.000 0.347 235 M C -0.470 176.045 176.300 0.358 0.000 0.901 235 M CA -0.325 55.174 55.300 0.332 0.000 1.064 235 M CB 0.421 33.135 32.600 0.189 0.000 1.861 235 M HN 0.441 nan 8.290 nan 0.000 0.638 236 H N 2.832 122.104 119.070 0.337 0.000 2.799 236 H HA 0.538 5.097 4.556 0.006 0.000 0.225 236 H C -0.943 174.530 175.328 0.240 0.000 1.904 236 H CA 0.452 56.599 56.048 0.165 0.000 1.344 236 H CB -0.399 29.297 29.762 -0.108 0.000 1.744 236 H HN 0.458 nan 8.280 nan 0.000 0.542 237 M N -0.012 119.913 119.600 0.542 0.000 2.530 237 M HA 0.559 5.043 4.480 0.006 0.000 0.307 237 M C 0.492 177.129 176.300 0.561 0.000 1.161 237 M CA -0.762 54.805 55.300 0.446 0.000 0.903 237 M CB 3.085 35.801 32.600 0.193 0.000 1.711 237 M HN 0.384 nan 8.290 nan 0.000 0.451 238 G N 1.028 110.151 108.800 0.538 0.000 2.645 238 G HA2 0.740 4.704 3.960 0.006 0.000 0.292 238 G HA3 0.740 4.704 3.960 0.006 0.000 0.292 238 G C -2.341 172.822 174.900 0.438 0.000 1.415 238 G CA -0.589 44.760 45.100 0.415 0.000 0.785 238 G HN 0.755 nan 8.290 nan 0.000 0.483 239 Y N -0.869 119.613 120.300 0.303 0.000 2.605 239 Y HA 0.819 5.373 4.550 0.006 0.000 0.343 239 Y C 0.253 176.278 175.900 0.208 0.000 1.036 239 Y CA -1.128 57.124 58.100 0.254 0.000 1.065 239 Y CB 1.392 39.991 38.460 0.231 0.000 1.288 239 Y HN 0.722 nan 8.280 nan 0.000 0.481 240 S N 0.284 116.182 115.700 0.331 0.000 2.616 240 S HA 0.603 5.077 4.470 0.006 0.000 0.277 240 S C 0.951 175.680 174.600 0.215 0.000 1.234 240 S CA -0.351 57.961 58.200 0.187 0.000 1.028 240 S CB 1.479 64.744 63.200 0.107 0.000 0.988 240 S HN 1.220 nan 8.310 nan 0.000 0.522 241 A N 1.410 124.247 122.820 0.029 0.000 2.019 241 A HA -0.126 4.197 4.320 0.006 0.000 0.219 241 A C 1.717 178.902 177.584 -0.664 0.000 1.164 241 A CA 1.662 53.608 52.037 -0.151 0.000 0.644 241 A CB -1.052 17.776 19.000 -0.287 0.000 0.805 241 A HN 0.970 nan 8.150 nan 0.000 0.449 242 D N -0.227 119.541 120.400 -1.053 0.000 2.348 242 D HA -0.139 4.504 4.640 0.006 0.000 0.216 242 D C 1.276 177.474 176.300 -0.170 0.000 0.970 242 D CA 1.001 54.486 54.000 -0.859 0.000 0.889 242 D CB -0.843 39.574 40.800 -0.639 0.000 0.912 242 D HN 0.411 nan 8.370 nan 0.000 0.524 243 N N 0.518 119.179 118.700 -0.065 0.000 2.272 243 N HA -0.110 4.634 4.740 0.006 0.000 0.185 243 N C 1.723 177.207 175.510 -0.044 0.000 1.014 243 N CA 0.680 53.735 53.050 0.008 0.000 0.870 243 N CB -0.292 38.219 38.487 0.042 0.000 0.975 243 N HN 0.232 nan 8.380 nan 0.000 0.433 244 L N -0.100 121.105 121.223 -0.031 0.000 2.191 244 L HA -0.126 4.218 4.340 0.006 0.000 0.212 244 L C 1.772 178.653 176.870 0.018 0.000 1.103 244 L CA 0.644 55.472 54.840 -0.019 0.000 0.769 244 L CB -0.387 41.710 42.059 0.065 0.000 0.908 244 L HN 0.287 nan 8.230 nan 0.000 0.438 245 L N -0.646 120.627 121.223 0.083 0.000 2.465 245 L HA -0.135 4.209 4.340 0.006 0.000 0.224 245 L C 1.288 178.181 176.870 0.040 0.000 1.145 245 L CA 0.586 55.482 54.840 0.093 0.000 0.834 245 L CB -0.312 41.853 42.059 0.176 0.000 0.944 245 L HN 0.242 nan 8.230 nan 0.000 0.451 246 D N 0.068 120.499 120.400 0.051 0.000 2.349 246 D HA 0.181 4.825 4.640 0.006 0.000 0.214 246 D C 0.783 177.050 176.300 -0.055 0.000 1.063 246 D CA 0.186 54.189 54.000 0.004 0.000 0.847 246 D CB 0.527 41.348 40.800 0.035 0.000 0.933 246 D HN 0.168 nan 8.370 nan 0.000 0.513 247 A N 0.463 123.244 122.820 -0.066 0.000 2.304 247 A HA 0.348 4.672 4.320 0.006 0.000 0.301 247 A C 0.861 178.401 177.584 -0.073 0.000 1.132 247 A CA -0.353 51.632 52.037 -0.086 0.000 0.819 247 A CB 1.087 20.023 19.000 -0.107 0.000 1.094 247 A HN -0.080 nan 8.150 nan 0.000 0.492 248 E N -0.203 119.952 120.200 -0.074 0.000 2.431 248 E HA 0.172 4.526 4.350 0.006 0.000 0.200 248 E C -0.831 175.715 176.600 -0.089 0.000 0.995 248 E CA 0.171 56.529 56.400 -0.069 0.000 0.915 248 E CB 0.537 30.202 29.700 -0.058 0.000 0.930 248 E HN 0.410 nan 8.360 nan 0.000 0.496 249 L N 1.148 122.307 121.223 -0.106 0.000 2.505 249 L HA 0.446 4.789 4.340 0.006 0.000 0.266 249 L C -1.808 174.937 176.870 -0.208 0.000 0.954 249 L CA -0.498 54.236 54.840 -0.177 0.000 0.852 249 L CB 1.641 43.615 42.059 -0.141 0.000 1.282 249 L HN -0.127 nan 8.230 nan 0.000 0.403 250 I N 5.077 125.462 120.570 -0.308 0.000 2.436 250 I HA 0.404 4.578 4.170 0.006 0.000 0.289 250 I C -1.186 174.725 176.117 -0.344 0.000 1.010 250 I CA -0.307 60.855 61.300 -0.231 0.000 1.098 250 I CB 1.612 39.502 38.000 -0.185 0.000 1.266 250 I HN 0.419 nan 8.210 nan 0.000 0.434 251 F N 6.296 126.262 119.950 0.028 0.000 2.361 251 F HA 0.459 4.990 4.527 0.006 0.000 0.364 251 F C 0.102 175.917 175.800 0.024 0.000 1.117 251 F CA -0.607 57.439 58.000 0.077 0.000 1.071 251 F CB 1.202 40.356 39.000 0.257 0.000 1.188 251 F HN 0.196 nan 8.300 nan 0.000 0.464 252 M N 3.387 123.047 119.600 0.100 0.000 2.080 252 M HA 0.297 4.781 4.480 0.006 0.000 0.350 252 M C -0.051 176.317 176.300 0.112 0.000 1.173 252 M CA 0.103 55.404 55.300 0.001 0.000 1.052 252 M CB 1.092 33.579 32.600 -0.188 0.000 1.577 252 M HN 0.571 nan 8.290 nan 0.000 0.455 253 T N 1.223 115.873 114.554 0.159 0.000 2.916 253 T HA 0.327 4.681 4.350 0.006 0.000 0.305 253 T C 0.175 174.965 174.700 0.150 0.000 1.119 253 T CA -0.109 62.091 62.100 0.167 0.000 1.008 253 T CB 0.917 69.925 68.868 0.233 0.000 1.129 253 T HN 0.788 nan 8.240 nan 0.000 0.480 254 C N 3.324 122.704 119.300 0.132 0.000 4.165 254 C HA -0.014 4.449 4.460 0.006 0.000 0.299 254 C C 0.772 175.855 174.990 0.155 0.000 1.445 254 C CA 1.161 60.255 59.018 0.127 0.000 2.029 254 C CB -3.238 24.569 27.740 0.113 0.000 1.288 254 C HN 1.163 nan 8.230 nan 0.000 0.752 255 S N -1.416 114.387 115.700 0.172 0.000 2.615 255 S HA 0.743 5.217 4.470 0.006 0.000 0.269 255 S C -0.982 173.732 174.600 0.190 0.000 1.161 255 S CA -0.269 58.082 58.200 0.252 0.000 0.817 255 S CB 1.884 65.330 63.200 0.410 0.000 1.131 255 S HN 0.412 nan 8.310 nan 0.000 0.467 256 N N -0.187 118.670 118.700 0.262 0.000 2.679 256 N HA 0.243 4.987 4.740 0.006 0.000 0.240 256 N C -0.458 175.270 175.510 0.363 0.000 1.537 256 N CA -0.442 52.721 53.050 0.188 0.000 0.793 256 N CB -0.243 38.267 38.487 0.037 0.000 1.391 256 N HN 0.657 nan 8.380 nan 0.000 0.524 257 W N 0.691 122.084 121.300 0.154 0.000 2.313 257 W HA -0.140 4.523 4.660 0.005 0.000 0.293 257 W C 2.397 179.124 176.519 0.345 0.000 1.216 257 W CA 1.297 58.788 57.345 0.243 0.000 1.223 257 W CB -1.050 28.534 29.460 0.207 0.000 1.138 257 W HN 0.452 nan 8.180 nan 0.000 0.535 258 S N -0.885 115.146 115.700 0.552 0.000 2.365 258 S HA -0.270 4.204 4.470 0.006 0.000 0.225 258 S C 1.863 176.611 174.600 0.247 0.000 1.039 258 S CA 1.821 60.166 58.200 0.242 0.000 1.033 258 S CB -0.587 62.723 63.200 0.184 0.000 0.887 258 S HN 0.203 nan 8.310 nan 0.000 0.447 259 Y N 1.514 121.828 120.300 0.022 0.000 2.243 259 Y HA 0.066 4.619 4.550 0.005 0.000 0.293 259 Y C 3.080 178.983 175.900 0.004 0.000 1.124 259 Y CA 1.408 59.474 58.100 -0.058 0.000 1.159 259 Y CB -1.174 37.210 38.460 -0.127 0.000 1.008 259 Y HN 0.573 nan 8.280 nan 0.000 0.527 260 T N -4.240 110.484 114.554 0.283 0.000 3.040 260 T HA 0.042 4.395 4.350 0.006 0.000 0.250 260 T C 0.094 174.874 174.700 0.134 0.000 1.058 260 T CA 0.356 62.580 62.100 0.208 0.000 0.988 260 T CB -0.164 68.859 68.868 0.257 0.000 0.993 260 T HN 0.141 nan 8.240 nan 0.000 0.519 261 Y N 1.744 121.996 120.300 -0.079 0.000 2.712 261 Y HA 0.369 4.923 4.550 0.006 0.000 0.287 261 Y C -2.532 173.290 175.900 -0.129 0.000 0.944 261 Y CA -3.312 54.608 58.100 -0.299 0.000 1.122 261 Y CB 1.365 39.218 38.460 -1.013 0.000 1.182 261 Y HN 0.008 nan 8.280 nan 0.000 0.632 262 P HA -0.128 nan 4.420 nan 0.000 0.220 262 P C 1.480 178.790 177.300 0.016 0.000 1.148 262 P CA 1.670 64.784 63.100 0.023 0.000 0.803 262 P CB 0.156 31.848 31.700 -0.013 0.000 0.782 263 S N -1.177 114.545 115.700 0.036 0.000 2.423 263 S HA -0.006 4.467 4.470 0.006 0.000 0.231 263 S C 1.706 176.312 174.600 0.009 0.000 1.014 263 S CA 1.106 59.347 58.200 0.068 0.000 0.965 263 S CB -0.847 62.450 63.200 0.162 0.000 0.785 263 S HN 0.063 nan 8.310 nan 0.000 0.495 264 S N -0.560 114.912 115.700 -0.379 0.000 2.847 264 S HA 0.297 4.770 4.470 0.006 0.000 0.254 264 S C 0.613 174.887 174.600 -0.542 0.000 1.039 264 S CA -0.490 57.387 58.200 -0.539 0.000 1.113 264 S CB -0.226 62.514 63.200 -0.766 0.000 1.092 264 S HN 0.542 nan 8.310 nan 0.000 0.620 265 Y N 3.556 123.598 120.300 -0.429 0.000 2.181 265 Y HA -0.387 4.166 4.550 0.006 0.000 0.284 265 Y C 2.215 178.114 175.900 -0.001 0.000 1.179 265 Y CA 2.701 60.773 58.100 -0.047 0.000 1.179 265 Y CB -0.577 37.910 38.460 0.045 0.000 0.973 265 Y HN 0.652 nan 8.280 nan 0.000 0.519 266 H N -2.778 116.359 119.070 0.112 0.000 2.426 266 H HA -0.238 4.321 4.556 0.006 0.000 0.298 266 H C 1.696 176.954 175.328 -0.116 0.000 1.107 266 H CA 1.982 58.010 56.048 -0.034 0.000 1.298 266 H CB -1.481 28.165 29.762 -0.194 0.000 1.377 266 H HN 0.329 nan 8.280 nan 0.000 0.519 267 F N 0.101 119.717 119.950 -0.556 0.000 2.171 267 F HA -0.087 4.443 4.527 0.006 0.000 0.300 267 F C 2.381 178.115 175.800 -0.109 0.000 1.090 267 F CA 1.064 58.880 58.000 -0.307 0.000 1.293 267 F CB -0.530 38.266 39.000 -0.341 0.000 1.013 267 F HN 0.260 nan 8.300 nan 0.000 0.486 268 L N 0.199 121.462 121.223 0.068 0.000 2.005 268 L HA -0.195 4.149 4.340 0.006 0.000 0.207 268 L C 2.660 179.430 176.870 -0.166 0.000 1.072 268 L CA 2.219 57.003 54.840 -0.092 0.000 0.744 268 L CB -1.139 40.769 42.059 -0.252 0.000 0.895 268 L HN 0.185 nan 8.230 nan 0.000 0.433 269 S N -1.451 114.132 115.700 -0.195 0.000 2.399 269 S HA -0.190 4.284 4.470 0.006 0.000 0.231 269 S C 1.770 176.283 174.600 -0.146 0.000 1.022 269 S CA 1.258 59.348 58.200 -0.184 0.000 0.983 269 S CB -0.687 62.461 63.200 -0.085 0.000 0.803 269 S HN 0.635 nan 8.310 nan 0.000 0.480 270 E N 1.724 121.928 120.200 0.006 0.000 2.107 270 E HA 0.124 4.478 4.350 0.006 0.000 0.191 270 E C 2.417 179.073 176.600 0.094 0.000 0.982 270 E CA 0.794 57.263 56.400 0.114 0.000 0.809 270 E CB -0.407 29.370 29.700 0.129 0.000 0.756 270 E HN 0.686 nan 8.360 nan 0.000 0.459 271 A N 1.681 124.532 122.820 0.051 0.000 1.933 271 A HA -0.235 4.089 4.320 0.006 0.000 0.218 271 A C 2.099 179.678 177.584 -0.009 0.000 1.175 271 A CA 1.563 53.617 52.037 0.028 0.000 0.628 271 A CB -0.467 18.537 19.000 0.006 0.000 0.814 271 A HN 0.091 nan 8.150 nan 0.000 0.444 272 R N -1.774 118.687 120.500 -0.067 0.000 2.080 272 R HA -0.205 4.139 4.340 0.006 0.000 0.236 272 R C 1.907 178.201 176.300 -0.010 0.000 1.137 272 R CA 2.082 58.120 56.100 -0.103 0.000 0.943 272 R CB -0.498 29.672 30.300 -0.215 0.000 0.846 272 R HN 0.522 nan 8.270 nan 0.000 0.431 273 Y N 0.830 121.121 120.300 -0.014 0.000 2.333 273 Y HA -0.161 4.393 4.550 0.006 0.000 0.290 273 Y C 2.240 178.130 175.900 -0.017 0.000 1.144 273 Y CA 1.241 59.334 58.100 -0.012 0.000 1.228 273 Y CB -0.299 38.158 38.460 -0.005 0.000 0.985 273 Y HN 0.114 nan 8.280 nan 0.000 0.542 274 K N -0.907 119.577 120.400 0.140 0.000 2.365 274 K HA 0.035 4.358 4.320 0.006 0.000 0.199 274 K C 1.215 177.832 176.600 0.029 0.000 1.045 274 K CA 1.001 57.322 56.287 0.058 0.000 0.962 274 K CB -0.097 32.423 32.500 0.033 0.000 0.759 274 K HN 0.437 nan 8.250 nan 0.000 0.469 275 G N -0.698 108.119 108.800 0.029 0.000 2.318 275 G HA2 -0.156 3.807 3.960 0.006 0.000 0.172 275 G HA3 -0.156 3.807 3.960 0.006 0.000 0.172 275 G C -0.014 174.872 174.900 -0.023 0.000 1.002 275 G CA -0.120 44.982 45.100 0.005 0.000 0.697 275 G HN 0.439 nan 8.290 nan 0.000 0.483 276 A N 0.524 123.323 122.820 -0.034 0.000 2.540 276 A HA 0.508 4.832 4.320 0.006 0.000 0.239 276 A C 0.442 177.974 177.584 -0.086 0.000 1.061 276 A CA 1.066 53.064 52.037 -0.065 0.000 0.758 276 A CB 0.239 19.196 19.000 -0.071 0.000 0.991 276 A HN 0.727 nan 8.150 nan 0.000 0.502 277 E N 2.216 122.351 120.200 -0.109 0.000 2.194 277 E HA 0.451 4.805 4.350 0.006 0.000 0.284 277 E C -1.159 175.327 176.600 -0.189 0.000 1.035 277 E CA -0.437 55.885 56.400 -0.129 0.000 0.836 277 E CB 0.789 30.414 29.700 -0.125 0.000 1.070 277 E HN 0.371 nan 8.360 nan 0.000 0.401 278 V N 5.582 125.393 119.914 -0.171 0.000 2.370 278 V HA 0.311 4.435 4.120 0.006 0.000 0.283 278 V C -0.424 175.560 176.094 -0.183 0.000 1.023 278 V CA -0.761 61.419 62.300 -0.199 0.000 0.857 278 V CB 1.541 33.256 31.823 -0.180 0.000 0.985 278 V HN 0.520 nan 8.190 nan 0.000 0.443 279 V N 5.566 125.339 119.914 -0.235 0.000 2.448 279 V HA 0.491 4.614 4.120 0.006 0.000 0.295 279 V C -0.262 175.808 176.094 -0.039 0.000 1.025 279 V CA -0.678 61.532 62.300 -0.150 0.000 0.859 279 V CB 2.041 33.709 31.823 -0.258 0.000 0.988 279 V HN 0.569 nan 8.190 nan 0.000 0.431 280 V N 6.235 126.162 119.914 0.021 0.000 2.357 280 V HA 0.464 4.588 4.120 0.006 0.000 0.284 280 V C -0.097 176.070 176.094 0.122 0.000 1.018 280 V CA -0.314 62.016 62.300 0.051 0.000 0.841 280 V CB 1.545 33.360 31.823 -0.013 0.000 0.991 280 V HN 0.694 nan 8.190 nan 0.000 0.437 281 I N 5.050 125.676 120.570 0.094 0.000 2.291 281 I HA 0.737 4.910 4.170 0.006 0.000 0.290 281 I C 0.327 176.484 176.117 0.067 0.000 1.050 281 I CA 0.041 61.341 61.300 -0.000 0.000 1.245 281 I CB 1.035 38.986 38.000 -0.081 0.000 1.405 281 I HN 0.701 nan 8.210 nan 0.000 0.478 282 A N 8.031 130.927 122.820 0.126 0.000 2.589 282 A HA 0.684 5.007 4.320 0.006 0.000 0.296 282 A C -2.440 175.277 177.584 0.222 0.000 1.062 282 A CA -1.069 51.060 52.037 0.154 0.000 0.686 282 A CB 1.587 20.659 19.000 0.119 0.000 1.282 282 A HN 0.382 nan 8.150 nan 0.000 0.404 283 P HA -0.020 nan 4.420 nan 0.000 0.216 283 P C -0.038 177.388 177.300 0.210 0.000 1.153 283 P CA 1.238 64.417 63.100 0.132 0.000 0.844 283 P CB -0.253 31.498 31.700 0.084 0.000 0.787 284 D N -0.531 119.973 120.400 0.173 0.000 2.253 284 D HA 0.031 4.674 4.640 0.006 0.000 0.249 284 D C -0.584 175.745 176.300 0.047 0.000 1.049 284 D CA -0.976 53.114 54.000 0.149 0.000 0.929 284 D CB 0.818 41.666 40.800 0.079 0.000 1.176 284 D HN -0.099 nan 8.370 nan 0.000 0.437 285 F N 2.869 122.690 119.950 -0.215 0.000 2.662 285 F HA 0.059 4.589 4.527 0.005 0.000 0.343 285 F C 0.476 176.124 175.800 -0.253 0.000 1.302 285 F CA -0.828 56.848 58.000 -0.539 0.000 1.142 285 F CB -0.830 38.002 39.000 -0.279 0.000 1.524 285 F HN 0.289 nan 8.300 nan 0.000 0.668 286 N N 5.407 123.881 118.700 -0.376 0.000 2.379 286 N HA 0.248 4.992 4.740 0.006 0.000 0.260 286 N C -2.306 173.038 175.510 -0.276 0.000 1.254 286 N CA -2.109 50.807 53.050 -0.224 0.000 0.958 286 N CB 0.165 38.570 38.487 -0.137 0.000 1.208 286 N HN 0.138 nan 8.380 nan 0.000 0.532 287 P HA -0.018 nan 4.420 nan 0.000 0.226 287 P C 0.382 177.646 177.300 -0.060 0.000 1.146 287 P CA 1.303 64.325 63.100 -0.130 0.000 0.773 287 P CB 0.068 31.660 31.700 -0.179 0.000 0.772 288 T N -2.187 112.328 114.554 -0.063 0.000 3.081 288 T HA -0.046 4.307 4.350 0.006 0.000 0.255 288 T C 1.629 176.289 174.700 -0.067 0.000 1.113 288 T CA 1.320 63.463 62.100 0.072 0.000 1.082 288 T CB -0.736 68.185 68.868 0.089 0.000 0.939 288 T HN 0.291 nan 8.240 nan 0.000 0.506 289 T N 0.378 114.754 114.554 -0.297 0.000 2.977 289 T HA -0.019 4.335 4.350 0.006 0.000 0.271 289 T C -0.869 173.671 174.700 -0.267 0.000 1.105 289 T CA 0.397 62.222 62.100 -0.458 0.000 1.116 289 T CB -1.343 66.766 68.868 -1.266 0.000 0.878 289 T HN 0.278 nan 8.240 nan 0.000 0.509 290 P HA 0.153 nan 4.420 nan 0.000 0.222 290 P C 1.309 178.613 177.300 0.007 0.000 1.147 290 P CA 1.047 64.137 63.100 -0.018 0.000 0.790 290 P CB -0.290 31.430 31.700 0.035 0.000 0.780 291 A N -1.382 121.444 122.820 0.010 0.000 2.251 291 A HA 0.479 4.803 4.320 0.006 0.000 0.209 291 A C 1.064 178.573 177.584 -0.124 0.000 1.187 291 A CA 0.164 52.152 52.037 -0.081 0.000 0.823 291 A CB -0.599 18.282 19.000 -0.197 0.000 0.846 291 A HN 0.201 nan 8.150 nan 0.000 0.486 292 A N -0.345 122.419 122.820 -0.092 0.000 2.312 292 A HA 0.527 4.851 4.320 0.006 0.000 0.326 292 A C 0.273 177.842 177.584 -0.025 0.000 1.172 292 A CA -0.450 51.541 52.037 -0.076 0.000 0.821 292 A CB 0.603 19.564 19.000 -0.066 0.000 1.166 292 A HN 0.213 nan 8.150 nan 0.000 0.493 293 D N 0.771 121.149 120.400 -0.038 0.000 2.194 293 D HA 0.068 4.711 4.640 0.006 0.000 0.204 293 D C 0.042 176.360 176.300 0.030 0.000 0.964 293 D CA 1.428 55.422 54.000 -0.010 0.000 0.846 293 D CB 0.177 40.953 40.800 -0.040 0.000 0.962 293 D HN 0.429 nan 8.370 nan 0.000 0.490 294 L N -0.149 121.096 121.223 0.036 0.000 2.455 294 L HA 0.264 4.608 4.340 0.006 0.000 0.264 294 L C -0.513 176.444 176.870 0.146 0.000 0.968 294 L CA -0.665 54.219 54.840 0.073 0.000 0.827 294 L CB 3.413 45.481 42.059 0.016 0.000 1.317 294 L HN -0.001 nan 8.230 nan 0.000 0.407 295 H N 2.918 122.040 119.070 0.087 0.000 2.476 295 H HA 0.508 5.068 4.556 0.006 0.000 0.328 295 H C -1.461 173.871 175.328 0.006 0.000 1.073 295 H CA -0.770 55.335 56.048 0.095 0.000 1.229 295 H CB 1.922 31.866 29.762 0.302 0.000 1.432 295 H HN 0.295 nan 8.280 nan 0.000 0.477 296 V N 8.628 128.399 119.914 -0.239 0.000 2.304 296 V HA 0.180 4.304 4.120 0.006 0.000 0.269 296 V C -2.022 173.705 176.094 -0.611 0.000 1.036 296 V CA -1.465 60.565 62.300 -0.451 0.000 0.840 296 V CB 1.101 32.582 31.823 -0.570 0.000 1.036 296 V HN 0.755 nan 8.190 nan 0.000 0.466 297 P HA 0.137 nan 4.420 nan 0.000 0.214 297 P C 0.036 177.201 177.300 -0.225 0.000 1.826 297 P CA -0.113 62.669 63.100 -0.530 0.000 0.977 297 P CB 0.427 31.866 31.700 -0.434 0.000 1.930 298 V N 0.068 119.860 119.914 -0.203 0.000 2.788 298 V HA 0.131 4.255 4.120 0.006 0.000 0.307 298 V C 0.822 176.893 176.094 -0.039 0.000 1.069 298 V CA -0.578 61.648 62.300 -0.124 0.000 1.173 298 V CB -0.164 31.587 31.823 -0.120 0.000 0.925 298 V HN 0.205 nan 8.190 nan 0.000 0.492 299 R N 2.742 123.228 120.500 -0.023 0.000 2.640 299 R HA 0.261 4.605 4.340 0.006 0.000 0.270 299 R C -0.244 176.084 176.300 0.046 0.000 1.024 299 R CA -0.408 55.701 56.100 0.015 0.000 1.085 299 R CB 0.541 30.852 30.300 0.018 0.000 0.963 299 R HN 0.749 nan 8.270 nan 0.000 0.426 300 V N 3.082 123.033 119.914 0.061 0.000 2.625 300 V HA -0.063 4.061 4.120 0.006 0.000 0.305 300 V C 1.576 177.735 176.094 0.108 0.000 1.055 300 V CA 1.873 64.221 62.300 0.079 0.000 1.209 300 V CB 0.395 32.264 31.823 0.076 0.000 0.877 300 V HN 1.164 nan 8.190 nan 0.000 0.489 301 G N 4.118 112.995 108.800 0.128 0.000 2.179 301 G HA2 -0.289 3.675 3.960 0.006 0.000 0.260 301 G HA3 -0.289 3.675 3.960 0.006 0.000 0.260 301 G C 0.813 175.866 174.900 0.254 0.000 0.977 301 G CA 0.688 45.897 45.100 0.181 0.000 0.641 301 G HN 1.373 nan 8.290 nan 0.000 0.533 302 S N -0.326 115.487 115.700 0.188 0.000 2.577 302 S HA 0.259 4.733 4.470 0.006 0.000 0.219 302 S C 1.278 175.918 174.600 0.067 0.000 0.962 302 S CA 0.926 59.196 58.200 0.117 0.000 0.921 302 S CB 0.266 63.435 63.200 -0.051 0.000 0.789 302 S HN 0.235 nan 8.310 nan 0.000 0.497 303 D N 3.160 123.657 120.400 0.161 0.000 2.190 303 D HA -0.065 4.578 4.640 0.006 0.000 0.200 303 D C 2.144 178.640 176.300 0.326 0.000 0.992 303 D CA 1.479 55.613 54.000 0.224 0.000 0.854 303 D CB -0.452 40.526 40.800 0.295 0.000 0.936 303 D HN 0.587 nan 8.370 nan 0.000 0.462 304 A N 0.892 123.888 122.820 0.295 0.000 1.892 304 A HA -0.143 4.181 4.320 0.006 0.000 0.218 304 A C 2.315 179.974 177.584 0.126 0.000 1.188 304 A CA 2.359 54.544 52.037 0.248 0.000 0.631 304 A CB -1.007 18.142 19.000 0.249 0.000 0.822 304 A HN 0.266 nan 8.150 nan 0.000 0.447 305 A N -1.301 121.556 122.820 0.063 0.000 1.933 305 A HA -0.035 4.288 4.320 0.006 0.000 0.218 305 A C 2.050 179.653 177.584 0.032 0.000 1.175 305 A CA 1.646 53.717 52.037 0.056 0.000 0.628 305 A CB -0.712 18.209 19.000 -0.131 0.000 0.814 305 A HN 0.780 nan 8.150 nan 0.000 0.444 306 F N -0.860 119.011 119.950 -0.131 0.000 2.075 306 F HA -0.177 4.353 4.527 0.006 0.000 0.297 306 F C 1.949 177.576 175.800 -0.289 0.000 1.113 306 F CA 1.803 59.643 58.000 -0.266 0.000 1.218 306 F CB -0.524 38.226 39.000 -0.416 0.000 0.984 306 F HN 0.370 nan 8.300 nan 0.000 0.472 307 W N 0.432 121.604 121.300 -0.214 0.000 2.436 307 W HA -0.016 4.648 4.660 0.006 0.000 0.284 307 W C 2.215 178.546 176.519 -0.314 0.000 1.225 307 W CA 0.721 57.864 57.345 -0.337 0.000 1.271 307 W CB -0.395 28.972 29.460 -0.154 0.000 1.114 307 W HN 0.020 nan 8.180 nan 0.000 0.559 308 L N -0.350 120.827 121.223 -0.077 0.000 2.093 308 L HA -0.034 4.310 4.340 0.006 0.000 0.208 308 L C 2.690 179.469 176.870 -0.152 0.000 1.085 308 L CA 1.308 56.022 54.840 -0.211 0.000 0.755 308 L CB -1.382 40.316 42.059 -0.601 0.000 0.904 308 L HN 0.109 nan 8.230 nan 0.000 0.435 309 G N 0.245 108.958 108.800 -0.144 0.000 2.440 309 G HA2 -0.254 3.709 3.960 0.006 0.000 0.218 309 G HA3 -0.254 3.709 3.960 0.006 0.000 0.218 309 G C 1.518 176.291 174.900 -0.211 0.000 1.154 309 G CA 0.565 45.580 45.100 -0.140 0.000 0.767 309 G HN 0.119 nan 8.290 nan 0.000 0.552 310 L N 1.218 122.228 121.223 -0.355 0.000 2.046 310 L HA -0.025 4.319 4.340 0.006 0.000 0.208 310 L C 3.149 179.945 176.870 -0.124 0.000 1.077 310 L CA 1.815 56.481 54.840 -0.289 0.000 0.747 310 L CB -0.704 41.119 42.059 -0.393 0.000 0.896 310 L HN 0.171 nan 8.230 nan 0.000 0.432 311 S N -1.301 114.338 115.700 -0.102 0.000 2.383 311 S HA -0.209 4.264 4.470 0.006 0.000 0.227 311 S C 1.882 176.433 174.600 -0.081 0.000 1.026 311 S CA 0.835 58.987 58.200 -0.080 0.000 0.981 311 S CB -0.266 62.869 63.200 -0.110 0.000 0.818 311 S HN 0.454 nan 8.310 nan 0.000 0.472 312 Q N 1.264 121.013 119.800 -0.084 0.000 2.124 312 Q HA -0.098 4.245 4.340 0.006 0.000 0.202 312 Q C 2.197 178.177 176.000 -0.033 0.000 0.977 312 Q CA 1.307 57.072 55.803 -0.062 0.000 0.850 312 Q CB -0.441 28.275 28.738 -0.037 0.000 0.901 312 Q HN 0.420 nan 8.270 nan 0.000 0.429 313 V N 1.058 120.949 119.914 -0.038 0.000 2.255 313 V HA -0.311 3.813 4.120 0.006 0.000 0.247 313 V C 2.557 178.669 176.094 0.030 0.000 1.051 313 V CA 2.092 64.383 62.300 -0.015 0.000 1.018 313 V CB -0.571 31.229 31.823 -0.039 0.000 0.641 313 V HN 0.383 nan 8.190 nan 0.000 0.445 314 M N -1.074 118.552 119.600 0.044 0.000 2.159 314 M HA -0.133 4.350 4.480 0.006 0.000 0.263 314 M C 2.133 178.581 176.300 0.248 0.000 1.063 314 M CA 1.921 57.295 55.300 0.124 0.000 1.110 314 M CB -0.434 32.240 32.600 0.124 0.000 1.374 314 M HN 0.288 nan 8.290 nan 0.000 0.411 315 I N -0.048 120.615 120.570 0.154 0.000 2.193 315 I HA -0.256 3.917 4.170 0.006 0.000 0.240 315 I C 2.117 178.365 176.117 0.218 0.000 1.084 315 I CA 1.300 62.717 61.300 0.195 0.000 1.365 315 I CB -0.426 37.515 38.000 -0.099 0.000 1.064 315 I HN 0.228 nan 8.210 nan 0.000 0.410 316 D N 1.033 121.492 120.400 0.099 0.000 2.144 316 D HA -0.201 4.442 4.640 0.006 0.000 0.199 316 D C 1.811 178.165 176.300 0.091 0.000 0.984 316 D CA 1.342 55.388 54.000 0.078 0.000 0.834 316 D CB 0.071 40.889 40.800 0.030 0.000 0.955 316 D HN 0.319 nan 8.370 nan 0.000 0.465 317 E N -0.182 120.072 120.200 0.090 0.000 2.489 317 E HA 0.040 4.393 4.350 0.006 0.000 0.193 317 E C -0.121 176.524 176.600 0.076 0.000 1.057 317 E CA -0.031 56.408 56.400 0.066 0.000 0.866 317 E CB 0.186 29.911 29.700 0.042 0.000 0.916 317 E HN 0.248 nan 8.360 nan 0.000 0.500 318 K N 0.434 120.923 120.400 0.148 0.000 3.150 318 K HA -0.194 4.130 4.320 0.006 0.000 0.267 318 K C 0.458 177.014 176.600 -0.074 0.000 1.028 318 K CA 0.201 56.532 56.287 0.072 0.000 0.753 318 K CB -1.671 30.834 32.500 0.009 0.000 1.288 318 K HN 0.259 nan 8.250 nan 0.000 0.473 319 L N -0.042 121.202 121.223 0.034 0.000 2.616 319 L HA 0.173 4.517 4.340 0.006 0.000 0.229 319 L C 1.026 177.888 176.870 -0.014 0.000 1.110 319 L CA -0.447 54.386 54.840 -0.011 0.000 0.884 319 L CB -0.122 41.960 42.059 0.039 0.000 1.115 319 L HN 0.238 nan 8.230 nan 0.000 0.481 320 F N -1.151 118.808 119.950 0.014 0.000 2.444 320 F HA 0.283 4.814 4.527 0.006 0.000 0.331 320 F C 0.524 176.315 175.800 -0.015 0.000 1.167 320 F CA -1.198 56.805 58.000 0.004 0.000 1.262 320 F CB 0.075 39.110 39.000 0.059 0.000 1.196 320 F HN -0.190 nan 8.300 nan 0.000 0.583 321 D N 2.457 122.918 120.400 0.101 0.000 2.453 321 D HA 0.079 4.723 4.640 0.006 0.000 0.223 321 D C 1.260 177.654 176.300 0.157 0.000 1.183 321 D CA -0.029 53.987 54.000 0.027 0.000 0.933 321 D CB 0.378 41.160 40.800 -0.031 0.000 1.038 321 D HN 0.792 nan 8.370 nan 0.000 0.513 322 R N 2.922 123.430 120.500 0.013 0.000 2.091 322 R HA -0.200 4.144 4.340 0.006 0.000 0.238 322 R C 1.884 178.236 176.300 0.086 0.000 1.136 322 R CA 1.554 57.709 56.100 0.093 0.000 0.959 322 R CB 0.093 30.341 30.300 -0.087 0.000 0.856 322 R HN 0.474 nan 8.270 nan 0.000 0.437 323 Q N -0.640 119.194 119.800 0.058 0.000 2.050 323 Q HA -0.209 4.134 4.340 0.006 0.000 0.202 323 Q C 1.845 177.911 176.000 0.112 0.000 0.980 323 Q CA 1.981 57.813 55.803 0.049 0.000 0.840 323 Q CB -0.214 28.555 28.738 0.052 0.000 0.898 323 Q HN 0.396 nan 8.270 nan 0.000 0.424 324 F N -0.250 119.719 119.950 0.031 0.000 2.102 324 F HA -0.203 4.328 4.527 0.006 0.000 0.298 324 F C 1.939 177.761 175.800 0.038 0.000 1.105 324 F CA 1.239 59.265 58.000 0.043 0.000 1.239 324 F CB -0.335 38.640 39.000 -0.041 0.000 0.991 324 F HN -0.089 nan 8.300 nan 0.000 0.474 325 V N -0.717 119.387 119.914 0.317 0.000 2.287 325 V HA -0.368 3.755 4.120 0.006 0.000 0.248 325 V C 2.577 178.741 176.094 0.117 0.000 1.053 325 V CA 2.021 64.458 62.300 0.228 0.000 1.027 325 V CB -0.831 31.120 31.823 0.213 0.000 0.646 325 V HN 0.584 nan 8.190 nan 0.000 0.447 326 C N -0.501 118.822 119.300 0.038 0.000 2.432 326 C HA -0.113 4.351 4.460 0.006 0.000 0.280 326 C C 2.661 177.607 174.990 -0.074 0.000 1.353 326 C CA 1.343 60.320 59.018 -0.068 0.000 1.766 326 C CB -0.818 26.813 27.740 -0.182 0.000 1.924 326 C HN 0.726 nan 8.230 nan 0.000 0.509 327 E N -0.312 119.861 120.200 -0.045 0.000 2.102 327 E HA -0.106 4.247 4.350 0.006 0.000 0.190 327 E C 1.985 178.625 176.600 0.067 0.000 0.971 327 E CA 0.667 57.053 56.400 -0.023 0.000 0.821 327 E CB -0.030 29.635 29.700 -0.059 0.000 0.777 327 E HN 0.517 nan 8.360 nan 0.000 0.460 328 Q N 0.327 120.134 119.800 0.013 0.000 2.402 328 Q HA 0.056 4.399 4.340 0.006 0.000 0.206 328 Q C 0.854 177.009 176.000 0.257 0.000 0.919 328 Q CA 0.989 56.878 55.803 0.143 0.000 0.923 328 Q CB 1.283 29.925 28.738 -0.159 0.000 1.048 328 Q HN 0.329 nan 8.270 nan 0.000 0.515 329 T N -2.128 112.567 114.554 0.236 0.000 2.864 329 T HA 0.224 4.578 4.350 0.006 0.000 0.289 329 T C 0.282 175.133 174.700 0.252 0.000 1.082 329 T CA -0.481 61.787 62.100 0.280 0.000 1.009 329 T CB 1.616 70.772 68.868 0.479 0.000 1.234 329 T HN -0.050 nan 8.240 nan 0.000 0.526 330 D N 0.225 120.782 120.400 0.261 0.000 2.340 330 D HA 0.025 4.669 4.640 0.006 0.000 0.220 330 D C 1.785 178.295 176.300 0.350 0.000 1.039 330 D CA 0.034 54.190 54.000 0.260 0.000 0.866 330 D CB -0.414 40.529 40.800 0.238 0.000 0.913 330 D HN 0.523 nan 8.370 nan 0.000 0.523 331 L N 0.486 121.921 121.223 0.354 0.000 2.079 331 L HA -0.089 4.255 4.340 0.006 0.000 0.210 331 L C -0.410 176.645 176.870 0.309 0.000 1.081 331 L CA 1.398 56.438 54.840 0.333 0.000 0.752 331 L CB -1.749 40.505 42.059 0.325 0.000 0.896 331 L HN 0.155 nan 8.230 nan 0.000 0.433 332 P HA 0.030 nan 4.420 nan 0.000 0.255 332 P C 0.430 177.999 177.300 0.448 0.000 1.248 332 P CA 0.396 63.691 63.100 0.326 0.000 0.807 332 P CB 0.204 32.050 31.700 0.243 0.000 1.150 333 L N 0.428 121.886 121.223 0.392 0.000 2.417 333 L HA 0.215 4.558 4.340 0.006 0.000 0.268 333 L C 0.938 178.026 176.870 0.363 0.000 1.158 333 L CA -0.766 54.275 54.840 0.335 0.000 0.819 333 L CB 0.467 42.644 42.059 0.197 0.000 1.112 333 L HN -0.148 nan 8.230 nan 0.000 0.458 334 L N 3.126 124.562 121.223 0.356 0.000 2.326 334 L HA 0.433 4.777 4.340 0.006 0.000 0.278 334 L C -0.367 176.659 176.870 0.261 0.000 1.092 334 L CA -0.481 54.539 54.840 0.300 0.000 0.810 334 L CB 1.519 43.763 42.059 0.308 0.000 1.153 334 L HN 0.286 nan 8.230 nan 0.000 0.439 335 V N 3.154 123.133 119.914 0.109 0.000 2.680 335 V HA 0.419 4.543 4.120 0.006 0.000 0.309 335 V C -0.010 176.104 176.094 0.034 0.000 1.052 335 V CA -0.873 61.421 62.300 -0.011 0.000 0.908 335 V CB 2.067 33.723 31.823 -0.279 0.000 1.001 335 V HN 0.678 nan 8.190 nan 0.000 0.431 336 R N 3.748 124.281 120.500 0.055 0.000 2.389 336 R HA 0.310 4.653 4.340 0.006 0.000 0.295 336 R C 0.714 177.035 176.300 0.036 0.000 1.075 336 R CA -0.468 55.669 56.100 0.062 0.000 1.005 336 R CB 0.604 30.953 30.300 0.082 0.000 0.987 336 R HN 0.581 nan 8.270 nan 0.000 0.452 337 M N 2.223 121.842 119.600 0.031 0.000 2.562 337 M HA -0.083 4.401 4.480 0.006 0.000 0.257 337 M C 0.956 177.272 176.300 0.027 0.000 1.099 337 M CA 1.152 56.463 55.300 0.019 0.000 1.099 337 M CB -0.541 32.066 32.600 0.011 0.000 1.427 337 M HN 0.608 nan 8.290 nan 0.000 0.489 338 D N -0.900 119.522 120.400 0.036 0.000 2.201 338 D HA -0.075 4.569 4.640 0.006 0.000 0.209 338 D C 1.709 178.037 176.300 0.046 0.000 0.961 338 D CA 1.822 55.846 54.000 0.038 0.000 0.861 338 D CB -0.722 40.102 40.800 0.039 0.000 0.997 338 D HN 0.340 nan 8.370 nan 0.000 0.486 339 T N -4.627 109.960 114.554 0.056 0.000 3.014 339 T HA 0.400 4.754 4.350 0.006 0.000 0.250 339 T C 1.773 176.514 174.700 0.069 0.000 1.060 339 T CA 0.632 62.770 62.100 0.063 0.000 1.040 339 T CB 0.200 69.113 68.868 0.075 0.000 0.971 339 T HN 0.421 nan 8.240 nan 0.000 0.497 340 G N 1.271 110.112 108.800 0.069 0.000 2.143 340 G HA2 -0.234 3.730 3.960 0.006 0.000 0.249 340 G HA3 -0.234 3.730 3.960 0.006 0.000 0.249 340 G C -0.110 174.859 174.900 0.113 0.000 0.981 340 G CA 0.303 45.461 45.100 0.096 0.000 0.665 340 G HN 0.698 nan 8.290 nan 0.000 0.528 341 K N -0.698 119.751 120.400 0.082 0.000 2.156 341 K HA 0.643 4.966 4.320 0.006 0.000 0.254 341 K C 0.197 176.852 176.600 0.093 0.000 0.950 341 K CA -1.077 55.260 56.287 0.083 0.000 0.849 341 K CB 0.865 33.446 32.500 0.136 0.000 1.100 341 K HN 0.006 nan 8.250 nan 0.000 0.434 342 F N 2.011 122.044 119.950 0.137 0.000 2.635 342 F HA -0.084 4.446 4.527 0.006 0.000 0.379 342 F C 0.742 176.642 175.800 0.168 0.000 1.094 342 F CA -0.057 57.951 58.000 0.014 0.000 1.300 342 F CB 0.055 38.748 39.000 -0.512 0.000 1.035 342 F HN 0.279 nan 8.300 nan 0.000 0.581 343 L N 4.578 126.038 121.223 0.395 0.000 2.534 343 L HA 0.188 4.532 4.340 0.006 0.000 0.271 343 L C 0.240 177.467 176.870 0.595 0.000 1.178 343 L CA 0.303 55.369 54.840 0.377 0.000 0.907 343 L CB -0.170 42.053 42.059 0.272 0.000 1.164 343 L HN 0.645 nan 8.230 nan 0.000 0.482 344 S N 3.670 119.657 115.700 0.478 0.000 2.648 344 S HA 0.775 5.249 4.470 0.006 0.000 0.305 344 S C 0.914 175.746 174.600 0.387 0.000 1.094 344 S CA -0.309 58.152 58.200 0.436 0.000 0.983 344 S CB 1.580 64.959 63.200 0.298 0.000 1.101 344 S HN 0.866 nan 8.310 nan 0.000 0.514 345 A N 0.669 123.653 122.820 0.274 0.000 2.015 345 A HA -0.018 4.306 4.320 0.006 0.000 0.219 345 A C 1.995 179.656 177.584 0.128 0.000 1.163 345 A CA 1.557 53.741 52.037 0.244 0.000 0.646 345 A CB -1.085 17.945 19.000 0.050 0.000 0.806 345 A HN 0.998 nan 8.150 nan 0.000 0.448 346 E N 0.156 120.406 120.200 0.083 0.000 2.058 346 E HA -0.257 4.097 4.350 0.006 0.000 0.194 346 E C 1.214 177.862 176.600 0.079 0.000 0.997 346 E CA 1.566 58.005 56.400 0.064 0.000 0.801 346 E CB -0.133 29.601 29.700 0.057 0.000 0.746 346 E HN 0.590 nan 8.360 nan 0.000 0.450 347 D N -0.165 120.299 120.400 0.107 0.000 2.117 347 D HA -0.142 4.501 4.640 0.006 0.000 0.197 347 D C 2.074 178.410 176.300 0.060 0.000 0.987 347 D CA 1.126 55.179 54.000 0.089 0.000 0.829 347 D CB -0.150 40.716 40.800 0.111 0.000 0.961 347 D HN 0.159 nan 8.370 nan 0.000 0.460 348 V N 1.273 121.224 119.914 0.062 0.000 2.379 348 V HA -0.122 4.002 4.120 0.006 0.000 0.243 348 V C 1.096 177.208 176.094 0.030 0.000 1.035 348 V CA 1.857 64.164 62.300 0.012 0.000 1.035 348 V CB -0.308 31.471 31.823 -0.075 0.000 0.673 348 V HN 0.200 nan 8.190 nan 0.000 0.457 349 D N -1.643 118.790 120.400 0.056 0.000 2.594 349 D HA 0.281 4.924 4.640 0.006 0.000 0.256 349 D C 1.135 177.455 176.300 0.034 0.000 1.393 349 D CA 0.363 54.388 54.000 0.041 0.000 0.797 349 D CB 0.109 40.936 40.800 0.045 0.000 1.110 349 D HN 0.395 nan 8.370 nan 0.000 0.495 350 G N -0.363 108.459 108.800 0.037 0.000 2.176 350 G HA2 -0.114 3.850 3.960 0.006 0.000 0.252 350 G HA3 -0.114 3.850 3.960 0.006 0.000 0.252 350 G C 0.685 175.594 174.900 0.014 0.000 1.024 350 G CA 0.164 45.279 45.100 0.026 0.000 0.755 350 G HN 0.796 nan 8.290 nan 0.000 0.507 351 G N -0.803 108.007 108.800 0.017 0.000 2.714 351 G HA2 0.574 4.538 3.960 0.006 0.000 0.197 351 G HA3 0.574 4.538 3.960 0.006 0.000 0.197 351 G C 0.122 175.002 174.900 -0.034 0.000 1.449 351 G CA -0.247 44.846 45.100 -0.012 0.000 1.065 351 G HN 0.503 nan 8.290 nan 0.000 0.575 352 E N -0.221 119.930 120.200 -0.081 0.000 2.373 352 E HA 0.343 4.696 4.350 0.006 0.000 0.267 352 E C 1.184 177.701 176.600 -0.139 0.000 1.032 352 E CA 0.068 56.394 56.400 -0.124 0.000 0.889 352 E CB 1.448 31.035 29.700 -0.189 0.000 0.984 352 E HN 0.404 nan 8.360 nan 0.000 0.425 353 A N 3.763 126.513 122.820 -0.118 0.000 2.015 353 A HA -0.135 4.188 4.320 0.006 0.000 0.219 353 A C 1.310 178.763 177.584 -0.217 0.000 1.163 353 A CA 1.178 53.172 52.037 -0.070 0.000 0.646 353 A CB 0.086 19.083 19.000 -0.005 0.000 0.806 353 A HN 0.432 nan 8.150 nan 0.000 0.448 354 K N -0.538 119.582 120.400 -0.467 0.000 2.440 354 K HA 0.114 4.438 4.320 0.006 0.000 0.206 354 K C 0.064 175.831 176.600 -1.387 0.000 1.025 354 K CA -0.166 55.526 56.287 -0.992 0.000 1.135 354 K CB 0.446 32.561 32.500 -0.641 0.000 0.856 354 K HN 0.413 nan 8.250 nan 0.000 0.502 355 Q N 0.927 120.168 119.800 -0.931 0.000 2.296 355 Q HA 0.234 4.577 4.340 0.006 0.000 0.257 355 Q C -1.053 174.478 176.000 -0.781 0.000 0.942 355 Q CA -0.018 55.319 55.803 -0.777 0.000 0.939 355 Q CB 0.273 28.740 28.738 -0.452 0.000 1.198 355 Q HN -0.106 nan 8.270 nan 0.000 0.429 356 F N 2.530 122.236 119.950 -0.407 0.000 2.585 356 F HA 0.573 5.104 4.527 0.006 0.000 0.350 356 F C -0.662 174.799 175.800 -0.566 0.000 1.074 356 F CA -0.948 56.861 58.000 -0.319 0.000 1.032 356 F CB 0.979 39.803 39.000 -0.293 0.000 1.330 356 F HN 0.403 nan 8.300 nan 0.000 0.495 357 Y N -0.295 120.051 120.300 0.077 0.000 2.477 357 Y HA 0.546 5.100 4.550 0.006 0.000 0.347 357 Y C -0.792 175.104 175.900 -0.006 0.000 0.981 357 Y CA -1.059 57.037 58.100 -0.008 0.000 1.033 357 Y CB 1.483 40.004 38.460 0.102 0.000 1.245 357 Y HN 0.214 nan 8.280 nan 0.000 0.455 358 F N 1.655 121.791 119.950 0.311 0.000 2.380 358 F HA 0.427 4.957 4.527 0.006 0.000 0.319 358 F C -0.372 175.590 175.800 0.271 0.000 1.113 358 F CA -1.369 56.802 58.000 0.286 0.000 1.056 358 F CB 0.576 39.771 39.000 0.324 0.000 1.289 358 F HN 0.286 nan 8.300 nan 0.000 0.515 359 F N 1.226 121.336 119.950 0.267 0.000 2.458 359 F HA 0.309 4.840 4.527 0.006 0.000 0.336 359 F C -0.405 175.438 175.800 0.072 0.000 1.114 359 F CA -0.785 57.190 58.000 -0.042 0.000 0.987 359 F CB 0.823 39.448 39.000 -0.625 0.000 1.130 359 F HN 0.301 nan 8.300 nan 0.000 0.458 360 D N 4.855 124.984 120.400 -0.451 0.000 2.412 360 D HA 0.160 4.804 4.640 0.006 0.000 0.224 360 D C 0.599 176.742 176.300 -0.262 0.000 1.093 360 D CA 0.026 53.876 54.000 -0.250 0.000 0.850 360 D CB 1.077 41.507 40.800 -0.617 0.000 1.046 360 D HN 0.718 nan 8.370 nan 0.000 0.507 361 E N 2.290 122.575 120.200 0.140 0.000 2.072 361 E HA -0.134 4.220 4.350 0.006 0.000 0.191 361 E C 1.571 178.257 176.600 0.144 0.000 0.985 361 E CA 0.749 57.328 56.400 0.299 0.000 0.801 361 E CB 0.391 30.284 29.700 0.322 0.000 0.750 361 E HN 0.354 nan 8.360 nan 0.000 0.452 362 K N 0.627 121.068 120.400 0.068 0.000 2.032 362 K HA -0.115 4.209 4.320 0.006 0.000 0.209 362 K C 2.144 178.724 176.600 -0.033 0.000 1.048 362 K CA 1.314 57.615 56.287 0.024 0.000 0.927 362 K CB -0.447 32.060 32.500 0.012 0.000 0.712 362 K HN 0.098 nan 8.250 nan 0.000 0.441 363 A N 0.280 123.024 122.820 -0.127 0.000 2.067 363 A HA 0.087 4.411 4.320 0.006 0.000 0.219 363 A C 1.502 178.996 177.584 -0.150 0.000 1.158 363 A CA 1.482 53.416 52.037 -0.171 0.000 0.661 363 A CB -0.525 18.305 19.000 -0.283 0.000 0.801 363 A HN 0.456 nan 8.150 nan 0.000 0.452 364 G N -1.480 107.237 108.800 -0.138 0.000 2.176 364 G HA2 -0.111 3.852 3.960 0.006 0.000 0.252 364 G HA3 -0.111 3.852 3.960 0.006 0.000 0.252 364 G C 0.144 174.931 174.900 -0.188 0.000 1.024 364 G CA 0.807 45.900 45.100 -0.010 0.000 0.755 364 G HN 1.442 nan 8.290 nan 0.000 0.507 365 S N -2.171 113.091 115.700 -0.729 0.000 2.570 365 S HA 0.643 5.116 4.470 0.006 0.000 0.270 365 S C 0.016 173.995 174.600 -1.035 0.000 1.149 365 S CA 0.155 57.955 58.200 -0.667 0.000 0.837 365 S CB 2.079 65.091 63.200 -0.313 0.000 1.124 365 S HN 1.295 nan 8.310 nan 0.000 0.465 366 V N 3.671 123.296 119.914 -0.481 0.000 2.673 366 V HA 0.429 4.553 4.120 0.006 0.000 0.303 366 V C -0.184 175.886 176.094 -0.039 0.000 1.046 366 V CA 0.727 62.927 62.300 -0.166 0.000 1.126 366 V CB 0.415 32.173 31.823 -0.108 0.000 0.934 366 V HN 0.814 nan 8.190 nan 0.000 0.487 367 R N 4.753 125.342 120.500 0.148 0.000 2.621 367 R HA 0.429 4.773 4.340 0.006 0.000 0.284 367 R C -0.890 175.540 176.300 0.216 0.000 0.998 367 R CA -0.978 55.215 56.100 0.156 0.000 0.895 367 R CB 1.997 32.289 30.300 -0.015 0.000 1.195 367 R HN 0.613 nan 8.270 nan 0.000 0.450 368 K N 1.527 121.929 120.400 0.004 0.000 2.472 368 K HA 0.096 4.419 4.320 0.006 0.000 0.280 368 K C -0.061 176.406 176.600 -0.221 0.000 1.028 368 K CA 0.136 56.211 56.287 -0.353 0.000 1.045 368 K CB 0.723 33.032 32.500 -0.318 0.000 0.902 368 K HN 0.576 nan 8.250 nan 0.000 0.478 369 A N 2.824 125.349 122.820 -0.492 0.000 2.362 369 A HA 0.105 4.429 4.320 0.006 0.000 0.276 369 A C 0.217 177.614 177.584 -0.313 0.000 1.153 369 A CA -0.321 51.330 52.037 -0.643 0.000 0.813 369 A CB 0.730 18.936 19.000 -1.324 0.000 1.081 369 A HN 0.654 nan 8.150 nan 0.000 0.507 370 S N 1.856 117.491 115.700 -0.108 0.000 2.533 370 S HA 0.092 4.566 4.470 0.006 0.000 0.282 370 S C 1.167 175.700 174.600 -0.112 0.000 1.304 370 S CA -0.282 57.865 58.200 -0.087 0.000 1.063 370 S CB 0.192 63.388 63.200 -0.007 0.000 0.881 370 S HN 0.673 nan 8.310 nan 0.000 0.493 371 R N 3.223 123.634 120.500 -0.147 0.000 2.275 371 R HA 0.073 4.417 4.340 0.006 0.000 0.199 371 R C 1.872 178.118 176.300 -0.090 0.000 0.989 371 R CA 0.804 56.816 56.100 -0.146 0.000 1.016 371 R CB -0.153 30.027 30.300 -0.200 0.000 0.918 371 R HN 0.754 nan 8.270 nan 0.000 0.473 372 G N -0.390 108.369 108.800 -0.068 0.000 2.784 372 G HA2 -0.025 3.938 3.960 0.006 0.000 0.208 372 G HA3 -0.025 3.938 3.960 0.006 0.000 0.208 372 G C 0.278 175.161 174.900 -0.029 0.000 1.120 372 G CA 0.216 45.284 45.100 -0.053 0.000 0.774 372 G HN 0.182 nan 8.290 nan 0.000 0.528 373 T N -0.807 113.742 114.554 -0.008 0.000 2.868 373 T HA 0.431 4.785 4.350 0.006 0.000 0.306 373 T C 0.227 174.958 174.700 0.052 0.000 1.224 373 T CA -0.629 61.479 62.100 0.013 0.000 1.012 373 T CB 1.325 70.193 68.868 0.000 0.000 1.221 373 T HN -0.110 nan 8.240 nan 0.000 0.499 374 L N 1.424 122.689 121.223 0.070 0.000 2.567 374 L HA 0.381 4.725 4.340 0.006 0.000 0.225 374 L C 1.350 178.258 176.870 0.063 0.000 1.119 374 L CA -0.020 54.883 54.840 0.105 0.000 0.871 374 L CB -0.084 42.062 42.059 0.144 0.000 1.036 374 L HN 0.477 nan 8.230 nan 0.000 0.459 375 K N 1.929 122.346 120.400 0.029 0.000 2.412 375 K HA 0.231 4.554 4.320 0.006 0.000 0.281 375 K C -0.647 175.955 176.600 0.004 0.000 1.027 375 K CA -0.036 56.250 56.287 -0.002 0.000 0.989 375 K CB 0.550 33.043 32.500 -0.012 0.000 0.935 375 K HN 0.091 nan 8.250 nan 0.000 0.475 376 L N 3.909 125.105 121.223 -0.045 0.000 2.325 376 L HA 0.229 4.573 4.340 0.006 0.000 0.278 376 L C 0.414 177.257 176.870 -0.044 0.000 1.023 376 L CA -0.579 54.201 54.840 -0.100 0.000 0.811 376 L CB 1.609 43.513 42.059 -0.258 0.000 1.249 376 L HN 0.813 nan 8.230 nan 0.000 0.431 377 D N 1.056 121.479 120.400 0.039 0.000 2.431 377 D HA 0.138 4.782 4.640 0.006 0.000 0.213 377 D C -0.299 176.126 176.300 0.208 0.000 1.130 377 D CA -0.023 54.040 54.000 0.105 0.000 0.834 377 D CB 0.240 41.112 40.800 0.120 0.000 0.985 377 D HN 0.230 nan 8.370 nan 0.000 0.504 378 F N -2.251 117.664 119.950 -0.059 0.000 2.773 378 F HA 0.531 5.062 4.527 0.006 0.000 0.314 378 F C -1.571 174.159 175.800 -0.117 0.000 1.160 378 F CA -1.477 56.481 58.000 -0.070 0.000 0.920 378 F CB 0.938 39.902 39.000 -0.060 0.000 1.323 378 F HN -0.315 nan 8.300 nan 0.000 0.457 379 M N 3.330 122.801 119.600 -0.214 0.000 2.077 379 M HA 0.380 4.863 4.480 0.006 0.000 0.348 379 M C -2.549 173.519 176.300 -0.386 0.000 1.252 379 M CA -1.949 53.138 55.300 -0.356 0.000 1.096 379 M CB 0.570 33.103 32.600 -0.112 0.000 1.568 379 M HN 0.387 nan 8.290 nan 0.000 0.456 380 P HA 0.126 nan 4.420 nan 0.000 0.269 380 P C -0.615 176.658 177.300 -0.044 0.000 1.215 380 P CA -0.256 62.614 63.100 -0.382 0.000 0.780 380 P CB 0.439 31.657 31.700 -0.803 0.000 0.898 381 A N 2.329 125.239 122.820 0.150 0.000 2.483 381 A HA 0.157 4.481 4.320 0.006 0.000 0.238 381 A C 0.859 178.531 177.584 0.146 0.000 1.070 381 A CA 0.361 52.516 52.037 0.197 0.000 0.770 381 A CB -0.577 18.584 19.000 0.269 0.000 1.008 381 A HN 0.624 nan 8.150 nan 0.000 0.497 382 L N 0.188 121.472 121.223 0.101 0.000 2.675 382 L HA 0.184 4.527 4.340 0.006 0.000 0.178 382 L C 0.430 177.421 176.870 0.201 0.000 1.135 382 L CA 0.072 54.904 54.840 -0.013 0.000 0.855 382 L CB -0.421 41.344 42.059 -0.490 0.000 1.235 382 L HN 0.688 nan 8.230 nan 0.000 0.499 383 E N 0.362 120.678 120.200 0.192 0.000 2.373 383 E HA 0.480 4.834 4.350 0.006 0.000 0.267 383 E C -0.062 176.641 176.600 0.172 0.000 1.032 383 E CA 0.663 57.207 56.400 0.240 0.000 0.889 383 E CB 0.913 30.732 29.700 0.199 0.000 0.984 383 E HN 0.353 nan 8.360 nan 0.000 0.425 384 G N 1.104 109.904 108.800 -0.000 0.000 2.334 384 G HA2 0.170 4.134 3.960 0.006 0.000 0.566 384 G HA3 0.170 4.134 3.960 0.006 0.000 0.566 384 G C -0.958 173.567 174.900 -0.625 0.000 1.413 384 G CA -0.939 43.904 45.100 -0.429 0.000 0.993 384 G HN 0.453 nan 8.290 nan 0.000 0.642 385 T N 0.765 114.806 114.554 -0.855 0.000 2.824 385 T HA 0.788 5.142 4.350 0.006 0.000 0.282 385 T C -0.737 173.449 174.700 -0.857 0.000 0.993 385 T CA -0.176 61.557 62.100 -0.612 0.000 0.967 385 T CB 1.186 69.889 68.868 -0.275 0.000 0.960 385 T HN 0.500 nan 8.240 nan 0.000 0.441 386 F N 0.438 120.278 119.950 -0.184 0.000 2.764 386 F HA 0.757 5.288 4.527 0.006 0.000 0.347 386 F C 0.450 176.187 175.800 -0.104 0.000 1.151 386 F CA -1.046 56.796 58.000 -0.264 0.000 1.021 386 F CB 1.474 40.103 39.000 -0.618 0.000 1.438 386 F HN 0.519 nan 8.300 nan 0.000 0.516 387 S N -0.131 115.675 115.700 0.177 0.000 2.570 387 S HA 0.939 5.412 4.470 0.006 0.000 0.286 387 S C -1.216 173.479 174.600 0.158 0.000 1.099 387 S CA -0.868 57.411 58.200 0.132 0.000 0.913 387 S CB 1.866 65.120 63.200 0.090 0.000 1.085 387 S HN 0.945 nan 8.310 nan 0.000 0.480 388 A N 1.561 124.441 122.820 0.099 0.000 2.422 388 A HA 0.755 5.079 4.320 0.006 0.000 0.302 388 A C -0.606 176.997 177.584 0.031 0.000 1.041 388 A CA -0.900 51.172 52.037 0.057 0.000 0.708 388 A CB 1.188 20.195 19.000 0.012 0.000 1.257 388 A HN 0.769 nan 8.150 nan 0.000 0.414 389 R N 1.717 122.227 120.500 0.017 0.000 2.265 389 R HA 0.471 4.814 4.340 0.006 0.000 0.314 389 R C -0.347 175.952 176.300 -0.001 0.000 1.053 389 R CA -0.185 55.923 56.100 0.013 0.000 0.931 389 R CB 0.568 30.877 30.300 0.014 0.000 1.024 389 R HN 0.696 nan 8.270 nan 0.000 0.457 390 L N 3.169 124.398 121.223 0.010 0.000 2.479 390 L HA 0.147 4.490 4.340 0.006 0.000 0.249 390 L C 1.731 178.610 176.870 0.015 0.000 1.178 390 L CA -0.224 54.623 54.840 0.012 0.000 0.811 390 L CB 0.546 42.621 42.059 0.026 0.000 1.187 390 L HN 0.653 nan 8.230 nan 0.000 0.480 391 K N -0.741 119.671 120.400 0.020 0.000 2.362 391 K HA -0.109 4.215 4.320 0.006 0.000 0.200 391 K C 1.168 177.780 176.600 0.020 0.000 1.046 391 K CA 1.158 57.457 56.287 0.021 0.000 0.952 391 K CB -0.158 32.357 32.500 0.026 0.000 0.753 391 K HN 0.409 nan 8.250 nan 0.000 0.466 392 N N 0.729 119.443 118.700 0.022 0.000 2.520 392 N HA -0.060 4.683 4.740 0.006 0.000 0.185 392 N C 1.144 176.666 175.510 0.019 0.000 1.068 392 N CA 1.320 54.383 53.050 0.021 0.000 0.911 392 N CB 0.360 38.862 38.487 0.024 0.000 0.961 392 N HN 0.631 nan 8.380 nan 0.000 0.446 393 G N 0.685 109.495 108.800 0.017 0.000 2.199 393 G HA2 -0.317 3.647 3.960 0.006 0.000 0.254 393 G HA3 -0.317 3.647 3.960 0.006 0.000 0.254 393 G C 0.309 175.220 174.900 0.018 0.000 0.982 393 G CA 0.409 45.519 45.100 0.016 0.000 0.632 393 G HN 0.405 nan 8.290 nan 0.000 0.529 394 K N 1.450 121.862 120.400 0.020 0.000 2.298 394 K HA 0.528 4.851 4.320 0.006 0.000 0.280 394 K C 0.085 176.700 176.600 0.024 0.000 1.032 394 K CA 0.323 56.623 56.287 0.022 0.000 0.958 394 K CB 0.426 32.941 32.500 0.024 0.000 0.978 394 K HN 0.091 nan 8.250 nan 0.000 0.472 395 T N 5.028 119.598 114.554 0.026 0.000 2.829 395 T HA 0.471 4.825 4.350 0.006 0.000 0.282 395 T C -0.130 174.589 174.700 0.032 0.000 0.990 395 T CA -0.685 61.434 62.100 0.031 0.000 1.028 395 T CB 0.274 69.162 68.868 0.033 0.000 0.951 395 T HN 0.568 nan 8.240 nan 0.000 0.460 396 I N -0.262 120.330 120.570 0.037 0.000 3.002 396 I HA 0.575 4.748 4.170 0.006 0.000 0.310 396 I C -0.478 175.665 176.117 0.044 0.000 1.087 396 I CA -1.401 59.922 61.300 0.038 0.000 1.017 396 I CB 1.839 39.864 38.000 0.041 0.000 1.226 396 I HN 0.331 nan 8.210 nan 0.000 0.443 397 Q N 2.478 122.300 119.800 0.035 0.000 2.314 397 Q HA 0.509 4.853 4.340 0.006 0.000 0.258 397 Q C -0.683 175.347 176.000 0.051 0.000 0.954 397 Q CA -0.470 55.353 55.803 0.033 0.000 0.890 397 Q CB 2.149 30.891 28.738 0.007 0.000 1.210 397 Q HN 0.622 nan 8.270 nan 0.000 0.410 398 V N 0.091 120.054 119.914 0.081 0.000 2.962 398 V HA 0.861 4.985 4.120 0.006 0.000 0.313 398 V C -0.885 175.293 176.094 0.140 0.000 1.099 398 V CA -1.100 61.266 62.300 0.109 0.000 0.971 398 V CB 2.187 34.097 31.823 0.146 0.000 1.028 398 V HN 0.950 nan 8.190 nan 0.000 0.430 399 R N 0.667 121.240 120.500 0.122 0.000 2.764 399 R HA 0.737 5.081 4.340 0.006 0.000 0.270 399 R C -0.358 176.034 176.300 0.153 0.000 1.014 399 R CA -0.067 56.122 56.100 0.148 0.000 0.904 399 R CB 1.632 31.952 30.300 0.034 0.000 1.236 399 R HN 0.953 nan 8.270 nan 0.000 0.466 400 T N -1.071 113.615 114.554 0.219 0.000 2.860 400 T HA 0.103 4.457 4.350 0.006 0.000 0.299 400 T C 1.504 176.262 174.700 0.096 0.000 1.045 400 T CA -0.650 61.582 62.100 0.219 0.000 1.071 400 T CB 1.192 70.243 68.868 0.306 0.000 0.985 400 T HN 0.363 nan 8.240 nan 0.000 0.537 401 V N 1.524 121.482 119.914 0.073 0.000 2.324 401 V HA -0.136 3.988 4.120 0.006 0.000 0.250 401 V C 2.062 178.173 176.094 0.028 0.000 1.060 401 V CA 2.188 64.452 62.300 -0.060 0.000 1.042 401 V CB -1.282 30.586 31.823 0.076 0.000 0.650 401 V HN 0.907 nan 8.190 nan 0.000 0.450 402 F N 1.316 121.268 119.950 0.004 0.000 2.120 402 F HA -0.281 4.249 4.527 0.006 0.000 0.300 402 F C 2.445 178.224 175.800 -0.035 0.000 1.095 402 F CA 2.412 60.397 58.000 -0.026 0.000 1.249 402 F CB -0.176 38.816 39.000 -0.014 0.000 0.995 402 F HN 0.214 nan 8.300 nan 0.000 0.480 403 E N 0.013 120.305 120.200 0.153 0.000 2.106 403 E HA -0.066 4.287 4.350 0.006 0.000 0.192 403 E C 2.410 178.970 176.600 -0.066 0.000 0.984 403 E CA 1.458 57.886 56.400 0.047 0.000 0.806 403 E CB -0.947 28.806 29.700 0.089 0.000 0.750 403 E HN 0.409 nan 8.360 nan 0.000 0.458 404 G N 0.680 109.427 108.800 -0.088 0.000 2.421 404 G HA2 -0.248 3.715 3.960 0.006 0.000 0.216 404 G HA3 -0.248 3.715 3.960 0.006 0.000 0.216 404 G C 1.501 176.348 174.900 -0.088 0.000 1.171 404 G CA 0.887 45.920 45.100 -0.110 0.000 0.775 404 G HN 0.349 nan 8.290 nan 0.000 0.543 405 L N 0.691 121.830 121.223 -0.141 0.000 2.042 405 L HA 0.023 4.366 4.340 0.006 0.000 0.210 405 L C 2.919 179.683 176.870 -0.176 0.000 1.076 405 L CA 1.663 56.425 54.840 -0.130 0.000 0.749 405 L CB -0.507 41.409 42.059 -0.239 0.000 0.893 405 L HN 0.150 nan 8.230 nan 0.000 0.432 406 R N -0.521 119.783 120.500 -0.328 0.000 2.096 406 R HA -0.240 4.103 4.340 0.006 0.000 0.240 406 R C 2.252 178.487 176.300 -0.107 0.000 1.139 406 R CA 1.853 57.791 56.100 -0.269 0.000 0.952 406 R CB -0.516 29.638 30.300 -0.244 0.000 0.854 406 R HN 0.580 nan 8.270 nan 0.000 0.436 407 E N 0.032 120.197 120.200 -0.057 0.000 2.051 407 E HA -0.282 4.072 4.350 0.006 0.000 0.192 407 E C 1.955 178.586 176.600 0.051 0.000 0.991 407 E CA 1.645 58.042 56.400 -0.004 0.000 0.799 407 E CB -0.108 29.594 29.700 0.003 0.000 0.748 407 E HN 0.403 nan 8.360 nan 0.000 0.449 408 H N 0.366 119.425 119.070 -0.018 0.000 2.387 408 H HA -0.029 4.530 4.556 0.006 0.000 0.299 408 H C 1.884 177.294 175.328 0.135 0.000 1.090 408 H CA 1.640 57.721 56.048 0.055 0.000 1.332 408 H CB -0.186 29.602 29.762 0.045 0.000 1.386 408 H HN 0.179 nan 8.280 nan 0.000 0.516 409 L N 0.268 121.489 121.223 -0.004 0.000 2.551 409 L HA -0.044 4.300 4.340 0.006 0.000 0.228 409 L C 2.028 178.896 176.870 -0.003 0.000 1.153 409 L CA 0.550 55.390 54.840 0.000 0.000 0.851 409 L CB -0.182 41.842 42.059 -0.058 0.000 0.959 409 L HN 0.272 nan 8.230 nan 0.000 0.451 410 K N -0.068 120.310 120.400 -0.036 0.000 2.281 410 K HA -0.155 4.169 4.320 0.006 0.000 0.203 410 K C 0.837 177.370 176.600 -0.112 0.000 1.046 410 K CA 0.940 57.193 56.287 -0.057 0.000 0.938 410 K CB -0.027 32.446 32.500 -0.046 0.000 0.737 410 K HN 0.288 nan 8.250 nan 0.000 0.458 411 D N -0.806 119.482 120.400 -0.187 0.000 2.340 411 D HA -0.022 4.621 4.640 0.006 0.000 0.220 411 D C -0.039 175.842 176.300 -0.700 0.000 1.039 411 D CA 0.713 54.464 54.000 -0.415 0.000 0.866 411 D CB 0.299 40.808 40.800 -0.486 0.000 0.913 411 D HN 0.242 nan 8.370 nan 0.000 0.523 412 Y N 0.025 120.238 120.300 -0.146 0.000 2.696 412 Y HA 0.105 4.658 4.550 0.006 0.000 0.255 412 Y C 0.775 176.606 175.900 -0.115 0.000 1.103 412 Y CA -0.786 57.234 58.100 -0.132 0.000 1.126 412 Y CB -0.084 38.281 38.460 -0.158 0.000 1.197 412 Y HN -0.229 nan 8.280 nan 0.000 0.574 413 T N -2.439 112.095 114.554 -0.034 0.000 2.855 413 T HA 0.022 4.376 4.350 0.006 0.000 0.322 413 T C -1.672 173.005 174.700 -0.037 0.000 1.088 413 T CA -1.202 60.877 62.100 -0.036 0.000 1.104 413 T CB 1.113 69.951 68.868 -0.049 0.000 0.996 413 T HN -0.028 nan 8.240 nan 0.000 0.549 414 P HA -0.086 nan 4.420 nan 0.000 0.216 414 P C 1.357 178.634 177.300 -0.040 0.000 1.153 414 P CA 1.102 64.176 63.100 -0.043 0.000 0.858 414 P CB 0.027 31.702 31.700 -0.042 0.000 0.789 415 E N -0.068 120.107 120.200 -0.041 0.000 2.058 415 E HA -0.185 4.169 4.350 0.006 0.000 0.194 415 E C 1.884 178.451 176.600 -0.056 0.000 0.997 415 E CA 1.445 57.819 56.400 -0.043 0.000 0.801 415 E CB -0.627 29.047 29.700 -0.042 0.000 0.746 415 E HN 0.288 nan 8.360 nan 0.000 0.450 416 K N 0.017 120.372 120.400 -0.075 0.000 2.062 416 K HA 0.033 4.356 4.320 0.006 0.000 0.205 416 K C 2.182 178.718 176.600 -0.106 0.000 1.051 416 K CA 0.992 57.213 56.287 -0.110 0.000 0.941 416 K CB -0.120 32.279 32.500 -0.168 0.000 0.719 416 K HN 0.106 nan 8.250 nan 0.000 0.440 417 A N 1.071 123.854 122.820 -0.063 0.000 1.902 417 A HA -0.187 4.137 4.320 0.006 0.000 0.217 417 A C 2.224 179.793 177.584 -0.025 0.000 1.181 417 A CA 1.993 54.029 52.037 -0.002 0.000 0.623 417 A CB -0.727 18.296 19.000 0.040 0.000 0.818 417 A HN 0.277 nan 8.150 nan 0.000 0.443 418 S N -0.145 115.537 115.700 -0.029 0.000 2.370 418 S HA -0.111 4.362 4.470 0.006 0.000 0.226 418 S C 2.155 176.732 174.600 -0.038 0.000 1.033 418 S CA 1.724 59.909 58.200 -0.026 0.000 1.011 418 S CB -0.507 62.677 63.200 -0.026 0.000 0.852 418 S HN 0.874 nan 8.310 nan 0.000 0.457 419 A N 0.861 123.654 122.820 -0.045 0.000 1.972 419 A HA -0.078 4.246 4.320 0.006 0.000 0.219 419 A C 2.157 179.715 177.584 -0.042 0.000 1.169 419 A CA 1.638 53.649 52.037 -0.043 0.000 0.635 419 A CB -0.429 18.542 19.000 -0.049 0.000 0.810 419 A HN 0.662 nan 8.150 nan 0.000 0.446 420 K N -1.008 119.356 120.400 -0.059 0.000 2.186 420 K HA -0.031 4.292 4.320 0.006 0.000 0.202 420 K C 1.682 178.205 176.600 -0.128 0.000 1.052 420 K CA 1.297 57.535 56.287 -0.080 0.000 0.965 420 K CB -0.113 32.320 32.500 -0.112 0.000 0.746 420 K HN 0.769 nan 8.250 nan 0.000 0.457 421 C N -1.955 117.281 119.300 -0.105 0.000 3.183 421 C HA 0.502 4.966 4.460 0.006 0.000 0.285 421 C C 1.433 176.388 174.990 -0.058 0.000 1.313 421 C CA -0.183 58.779 59.018 -0.092 0.000 1.711 421 C CB -0.206 27.492 27.740 -0.069 0.000 2.135 421 C HN 0.575 nan 8.230 nan 0.000 0.651 422 G N 1.392 110.163 108.800 -0.048 0.000 2.168 422 G HA2 -0.208 3.756 3.960 0.006 0.000 0.263 422 G HA3 -0.208 3.756 3.960 0.006 0.000 0.263 422 G C -0.072 174.792 174.900 -0.059 0.000 0.977 422 G CA 0.425 45.497 45.100 -0.047 0.000 0.659 422 G HN 0.874 nan 8.290 nan 0.000 0.533 423 V N 1.891 121.774 119.914 -0.052 0.000 2.498 423 V HA 0.419 4.542 4.120 0.006 0.000 0.279 423 V C -1.402 174.678 176.094 -0.023 0.000 1.048 423 V CA -1.550 60.718 62.300 -0.054 0.000 0.967 423 V CB 1.430 33.244 31.823 -0.014 0.000 0.988 423 V HN 0.101 nan 8.190 nan 0.000 0.473 424 P HA 0.065 nan 4.420 nan 0.000 0.266 424 P C 1.110 178.405 177.300 -0.007 0.000 1.195 424 P CA 0.047 63.134 63.100 -0.022 0.000 0.768 424 P CB 0.593 32.277 31.700 -0.027 0.000 0.838 425 V N 2.412 122.317 119.914 -0.013 0.000 2.317 425 V HA -0.323 3.801 4.120 0.006 0.000 0.251 425 V C 2.352 178.440 176.094 -0.010 0.000 1.065 425 V CA 2.844 65.135 62.300 -0.015 0.000 1.049 425 V CB -1.568 30.243 31.823 -0.020 0.000 0.651 425 V HN 0.736 nan 8.190 nan 0.000 0.450 426 S N 0.011 115.706 115.700 -0.008 0.000 2.370 426 S HA -0.208 4.265 4.470 0.006 0.000 0.226 426 S C 1.916 176.519 174.600 0.005 0.000 1.033 426 S CA 1.769 59.967 58.200 -0.005 0.000 1.011 426 S CB -0.551 62.645 63.200 -0.007 0.000 0.852 426 S HN 0.400 nan 8.310 nan 0.000 0.457 427 L N 1.495 122.727 121.223 0.014 0.000 2.131 427 L HA 0.319 4.662 4.340 0.006 0.000 0.206 427 L C 2.196 179.112 176.870 0.076 0.000 1.087 427 L CA 1.055 55.920 54.840 0.042 0.000 0.767 427 L CB -0.716 41.362 42.059 0.032 0.000 0.917 427 L HN 0.337 nan 8.230 nan 0.000 0.441 428 I N -0.721 119.882 120.570 0.055 0.000 2.163 428 I HA -0.351 3.822 4.170 0.006 0.000 0.243 428 I C 2.699 178.775 176.117 -0.069 0.000 1.085 428 I CA 1.511 62.791 61.300 -0.033 0.000 1.347 428 I CB -0.325 37.636 38.000 -0.065 0.000 1.044 428 I HN 0.265 nan 8.210 nan 0.000 0.408 429 R N 0.742 121.222 120.500 -0.034 0.000 2.075 429 R HA -0.204 4.139 4.340 0.006 0.000 0.232 429 R C 2.320 178.613 176.300 -0.011 0.000 1.126 429 R CA 1.627 57.710 56.100 -0.029 0.000 0.963 429 R CB -0.149 30.140 30.300 -0.019 0.000 0.858 429 R HN 0.341 nan 8.270 nan 0.000 0.435 430 E N 0.340 120.543 120.200 0.005 0.000 2.058 430 E HA -0.222 4.132 4.350 0.006 0.000 0.194 430 E C 1.896 178.516 176.600 0.035 0.000 0.997 430 E CA 1.403 57.814 56.400 0.017 0.000 0.801 430 E CB -0.054 29.659 29.700 0.021 0.000 0.746 430 E HN 0.358 nan 8.360 nan 0.000 0.450 431 L N -0.044 121.214 121.223 0.058 0.000 2.156 431 L HA -0.019 4.324 4.340 0.006 0.000 0.208 431 L C 2.588 179.496 176.870 0.064 0.000 1.095 431 L CA 0.780 55.689 54.840 0.115 0.000 0.770 431 L CB -0.530 41.672 42.059 0.240 0.000 0.914 431 L HN 0.300 nan 8.230 nan 0.000 0.439 432 G N 0.309 109.091 108.800 -0.029 0.000 2.476 432 G HA2 -0.278 3.686 3.960 0.006 0.000 0.218 432 G HA3 -0.278 3.686 3.960 0.006 0.000 0.218 432 G C 1.749 176.658 174.900 0.015 0.000 1.164 432 G CA 0.692 45.770 45.100 -0.037 0.000 0.768 432 G HN 0.303 nan 8.290 nan 0.000 0.560 433 R N 0.160 120.670 120.500 0.016 0.000 2.090 433 R HA 0.069 4.413 4.340 0.006 0.000 0.228 433 R C 2.650 178.968 176.300 0.028 0.000 1.110 433 R CA 1.188 57.300 56.100 0.019 0.000 0.973 433 R CB -0.164 30.142 30.300 0.010 0.000 0.869 433 R HN 0.295 nan 8.270 nan 0.000 0.440 434 K N 0.199 120.626 120.400 0.044 0.000 2.062 434 K HA -0.043 4.281 4.320 0.006 0.000 0.205 434 K C 2.046 178.690 176.600 0.073 0.000 1.051 434 K CA 1.059 57.374 56.287 0.047 0.000 0.941 434 K CB -0.031 32.496 32.500 0.046 0.000 0.719 434 K HN -0.035 nan 8.250 nan 0.000 0.440 435 V N 1.644 121.638 119.914 0.135 0.000 2.332 435 V HA -0.276 3.847 4.120 0.006 0.000 0.248 435 V C 2.313 178.449 176.094 0.069 0.000 1.055 435 V CA 2.107 64.510 62.300 0.171 0.000 1.038 435 V CB -0.682 31.283 31.823 0.237 0.000 0.651 435 V HN 0.364 nan 8.190 nan 0.000 0.450 436 A N 0.641 123.487 122.820 0.044 0.000 2.070 436 A HA -0.200 4.123 4.320 0.006 0.000 0.220 436 A C 2.146 179.719 177.584 -0.019 0.000 1.159 436 A CA 1.929 53.971 52.037 0.009 0.000 0.656 436 A CB -0.294 18.720 19.000 0.022 0.000 0.800 436 A HN 0.767 nan 8.150 nan 0.000 0.453 437 K N -1.342 119.052 120.400 -0.010 0.000 2.374 437 K HA 0.271 4.594 4.320 0.006 0.000 0.202 437 K C -0.043 176.538 176.600 -0.031 0.000 1.040 437 K CA -0.177 56.095 56.287 -0.025 0.000 1.085 437 K CB 0.378 32.868 32.500 -0.017 0.000 0.873 437 K HN 0.144 nan 8.250 nan 0.000 0.539 438 K N 1.500 121.886 120.400 -0.023 0.000 2.324 438 K HA 0.291 4.615 4.320 0.006 0.000 0.253 438 K C -1.058 175.516 176.600 -0.043 0.000 0.932 438 K CA -1.230 55.039 56.287 -0.030 0.000 0.799 438 K CB 2.067 34.555 32.500 -0.019 0.000 1.154 438 K HN -0.123 nan 8.250 nan 0.000 0.425 439 R N 1.520 121.981 120.500 -0.065 0.000 2.446 439 R HA 0.050 4.393 4.340 0.006 0.000 0.314 439 R C -0.967 175.297 176.300 -0.060 0.000 1.003 439 R CA 0.809 56.858 56.100 -0.084 0.000 1.018 439 R CB -0.027 30.213 30.300 -0.100 0.000 0.945 439 R HN 0.470 nan 8.270 nan 0.000 0.419 440 T N 4.829 119.361 114.554 -0.036 0.000 2.841 440 T HA 0.378 4.731 4.350 0.006 0.000 0.285 440 T C -1.231 173.482 174.700 0.023 0.000 0.991 440 T CA -0.460 61.662 62.100 0.037 0.000 0.966 440 T CB 1.026 69.993 68.868 0.165 0.000 0.962 440 T HN 0.666 nan 8.240 nan 0.000 0.438 441 C N 3.075 122.378 119.300 0.006 0.000 2.507 441 C HA 0.838 5.301 4.460 0.006 0.000 0.319 441 C C -0.078 174.956 174.990 0.074 0.000 1.208 441 C CA -0.194 58.788 59.018 -0.059 0.000 1.619 441 C CB 0.620 28.216 27.740 -0.240 0.000 2.230 441 C HN 0.940 nan 8.230 nan 0.000 0.492 442 S N 2.502 118.271 115.700 0.115 0.000 2.600 442 S HA 0.608 5.082 4.470 0.006 0.000 0.300 442 S C -1.639 173.136 174.600 0.293 0.000 1.087 442 S CA -0.301 58.022 58.200 0.203 0.000 0.965 442 S CB 1.455 64.731 63.200 0.126 0.000 1.089 442 S HN 0.725 nan 8.310 nan 0.000 0.496 443 Y N 1.905 122.285 120.300 0.133 0.000 2.376 443 Y HA 0.523 5.077 4.550 0.006 0.000 0.326 443 Y C -0.934 175.030 175.900 0.106 0.000 0.970 443 Y CA -0.694 57.507 58.100 0.169 0.000 1.248 443 Y CB 0.308 38.824 38.460 0.094 0.000 1.117 443 Y HN 0.543 nan 8.280 nan 0.000 0.476 444 I N 6.281 126.753 120.570 -0.164 0.000 2.337 444 I HA 0.326 4.500 4.170 0.006 0.000 0.291 444 I C 1.007 176.981 176.117 -0.238 0.000 1.046 444 I CA -0.079 61.164 61.300 -0.094 0.000 1.324 444 I CB 0.527 38.496 38.000 -0.052 0.000 1.409 444 I HN 0.759 nan 8.210 nan 0.000 0.494 445 G N 4.334 113.135 108.800 0.000 0.000 2.543 445 G HA2 0.322 4.286 3.960 0.006 0.000 0.290 445 G HA3 0.322 4.286 3.960 0.006 0.000 0.290 445 G C -0.041 174.738 174.900 -0.202 0.000 1.310 445 G CA -0.382 44.710 45.100 -0.014 0.000 1.025 445 G HN 0.506 nan 8.290 nan 0.000 0.502 446 F N -0.423 119.531 119.950 0.007 0.000 2.732 446 F HA 0.177 4.708 4.527 0.006 0.000 0.303 446 F C 2.628 178.374 175.800 -0.090 0.000 1.110 446 F CA 0.078 57.963 58.000 -0.191 0.000 1.355 446 F CB 0.483 39.295 39.000 -0.314 0.000 1.081 446 F HN 0.229 nan 8.300 nan 0.000 0.565 447 S N -0.921 114.858 115.700 0.131 0.000 2.447 447 S HA -0.174 4.300 4.470 0.006 0.000 0.233 447 S C 2.411 177.059 174.600 0.080 0.000 1.006 447 S CA 1.189 59.459 58.200 0.116 0.000 0.957 447 S CB -0.254 63.020 63.200 0.123 0.000 0.773 447 S HN 0.408 nan 8.310 nan 0.000 0.507 448 S N 1.657 117.392 115.700 0.058 0.000 2.356 448 S HA -0.053 4.421 4.470 0.006 0.000 0.223 448 S C 2.070 176.683 174.600 0.023 0.000 1.032 448 S CA 1.182 59.418 58.200 0.060 0.000 1.005 448 S CB -0.403 62.846 63.200 0.081 0.000 0.867 448 S HN 0.558 nan 8.310 nan 0.000 0.449 449 A N 0.784 123.579 122.820 -0.042 0.000 2.015 449 A HA 0.035 4.358 4.320 0.006 0.000 0.219 449 A C 1.883 179.429 177.584 -0.062 0.000 1.163 449 A CA 1.165 53.149 52.037 -0.088 0.000 0.646 449 A CB -0.344 18.545 19.000 -0.184 0.000 0.806 449 A HN 0.616 nan 8.150 nan 0.000 0.448 450 K N 0.592 120.983 120.400 -0.015 0.000 2.476 450 K HA 0.168 4.491 4.320 0.006 0.000 0.196 450 K C -0.415 176.190 176.600 0.010 0.000 1.025 450 K CA -0.042 56.240 56.287 -0.007 0.000 1.138 450 K CB 0.238 32.765 32.500 0.045 0.000 0.860 450 K HN 0.300 nan 8.250 nan 0.000 0.515 451 S N 0.127 115.839 115.700 0.020 0.000 2.475 451 S HA 0.133 4.607 4.470 0.006 0.000 0.298 451 S C 0.216 174.831 174.600 0.025 0.000 1.119 451 S CA -0.781 57.451 58.200 0.053 0.000 1.085 451 S CB 0.903 64.163 63.200 0.099 0.000 1.028 451 S HN 0.218 nan 8.310 nan 0.000 0.489 452 Y N 2.397 122.606 120.300 -0.152 0.000 2.114 452 Y HA -0.237 4.317 4.550 0.006 0.000 0.282 452 Y C 1.610 177.287 175.900 -0.372 0.000 1.165 452 Y CA 1.982 59.886 58.100 -0.327 0.000 1.148 452 Y CB 0.070 38.255 38.460 -0.459 0.000 0.972 452 Y HN 0.728 nan 8.280 nan 0.000 0.504 453 H N -0.767 118.438 119.070 0.225 0.000 2.503 453 H HA 0.275 4.835 4.556 0.006 0.000 0.296 453 H C 1.889 177.296 175.328 0.132 0.000 1.097 453 H CA 0.355 56.501 56.048 0.163 0.000 1.055 453 H CB -0.239 29.623 29.762 0.167 0.000 1.580 453 H HN 0.497 nan 8.280 nan 0.000 0.546 454 G N 1.281 110.182 108.800 0.168 0.000 2.450 454 G HA2 -0.285 3.679 3.960 0.006 0.000 0.220 454 G HA3 -0.285 3.679 3.960 0.006 0.000 0.220 454 G C 1.502 176.502 174.900 0.167 0.000 1.130 454 G CA 0.966 46.154 45.100 0.146 0.000 0.760 454 G HN 0.449 nan 8.290 nan 0.000 0.557 455 D N 1.191 121.710 120.400 0.199 0.000 2.097 455 D HA -0.149 4.494 4.640 0.006 0.000 0.195 455 D C 2.452 178.892 176.300 0.232 0.000 0.989 455 D CA 0.710 54.846 54.000 0.227 0.000 0.827 455 D CB -0.883 40.112 40.800 0.325 0.000 0.966 455 D HN 0.383 nan 8.370 nan 0.000 0.456 456 L N -0.583 120.789 121.223 0.248 0.000 2.046 456 L HA -0.113 4.230 4.340 0.006 0.000 0.208 456 L C 2.926 179.903 176.870 0.179 0.000 1.077 456 L CA 1.128 56.095 54.840 0.211 0.000 0.747 456 L CB -0.396 41.770 42.059 0.180 0.000 0.896 456 L HN -0.011 nan 8.230 nan 0.000 0.432 457 M N -0.730 118.982 119.600 0.187 0.000 2.117 457 M HA -0.226 4.257 4.480 0.006 0.000 0.262 457 M C 2.101 178.423 176.300 0.036 0.000 1.065 457 M CA 1.797 57.197 55.300 0.166 0.000 1.114 457 M CB -0.400 32.312 32.600 0.188 0.000 1.361 457 M HN 0.179 nan 8.290 nan 0.000 0.408 458 E N 0.013 120.225 120.200 0.021 0.000 2.047 458 E HA -0.144 4.209 4.350 0.006 0.000 0.191 458 E C 2.103 178.647 176.600 -0.094 0.000 0.987 458 E CA 1.002 57.324 56.400 -0.129 0.000 0.799 458 E CB -0.086 29.674 29.700 0.099 0.000 0.752 458 E HN 0.413 nan 8.360 nan 0.000 0.449 459 R N 0.460 121.047 120.500 0.145 0.000 2.117 459 R HA -0.115 4.228 4.340 0.006 0.000 0.243 459 R C 2.480 178.905 176.300 0.209 0.000 1.143 459 R CA 1.490 57.744 56.100 0.257 0.000 0.968 459 R CB -0.190 30.259 30.300 0.249 0.000 0.863 459 R HN 0.031 nan 8.270 nan 0.000 0.444 460 S N 1.114 116.853 115.700 0.065 0.000 2.371 460 S HA -0.075 4.399 4.470 0.006 0.000 0.224 460 S C 1.862 176.370 174.600 -0.154 0.000 1.029 460 S CA 0.749 58.963 58.200 0.024 0.000 0.978 460 S CB -0.153 63.101 63.200 0.090 0.000 0.833 460 S HN 0.286 nan 8.310 nan 0.000 0.466 461 L N 0.464 121.345 121.223 -0.570 0.000 2.017 461 L HA -0.103 4.240 4.340 0.006 0.000 0.208 461 L C 1.870 178.340 176.870 -0.667 0.000 1.073 461 L CA 1.617 55.672 54.840 -1.308 0.000 0.745 461 L CB -0.336 40.677 42.059 -1.743 0.000 0.894 461 L HN 0.182 nan 8.230 nan 0.000 0.432 462 F N -0.490 119.400 119.950 -0.099 0.000 2.269 462 F HA -0.201 4.330 4.527 0.006 0.000 0.301 462 F C 2.145 178.151 175.800 0.343 0.000 1.082 462 F CA 1.088 59.228 58.000 0.233 0.000 1.360 462 F CB -0.892 38.268 39.000 0.267 0.000 1.041 462 F HN 0.149 nan 8.300 nan 0.000 0.512 463 L N 0.502 121.850 121.223 0.208 0.000 2.056 463 L HA -0.049 4.295 4.340 0.006 0.000 0.207 463 L C 2.363 179.137 176.870 -0.160 0.000 1.078 463 L CA 1.912 56.524 54.840 -0.380 0.000 0.749 463 L CB -1.201 40.598 42.059 -0.432 0.000 0.901 463 L HN 0.033 nan 8.230 nan 0.000 0.433 464 A N -0.774 122.007 122.820 -0.065 0.000 1.902 464 A HA -0.176 4.148 4.320 0.006 0.000 0.217 464 A C 2.168 179.757 177.584 0.009 0.000 1.181 464 A CA 1.971 54.005 52.037 -0.005 0.000 0.623 464 A CB -0.492 18.587 19.000 0.131 0.000 0.818 464 A HN 0.474 nan 8.150 nan 0.000 0.443 465 M N -0.245 119.388 119.600 0.054 0.000 2.117 465 M HA -0.088 4.395 4.480 0.006 0.000 0.262 465 M C 2.507 178.800 176.300 -0.012 0.000 1.065 465 M CA 1.533 56.903 55.300 0.117 0.000 1.114 465 M CB -1.693 31.131 32.600 0.374 0.000 1.361 465 M HN 0.473 nan 8.290 nan 0.000 0.408 466 A N 0.576 123.480 122.820 0.140 0.000 1.883 466 A HA -0.138 4.185 4.320 0.006 0.000 0.217 466 A C 2.326 179.848 177.584 -0.104 0.000 1.186 466 A CA 1.461 53.468 52.037 -0.051 0.000 0.624 466 A CB -1.039 18.132 19.000 0.285 0.000 0.822 466 A HN 0.475 nan 8.150 nan 0.000 0.444 467 L N 0.434 121.627 121.223 -0.050 0.000 2.191 467 L HA -0.133 4.211 4.340 0.006 0.000 0.212 467 L C 2.420 179.291 176.870 0.002 0.000 1.103 467 L CA 1.442 56.297 54.840 0.026 0.000 0.769 467 L CB -0.226 41.842 42.059 0.015 0.000 0.908 467 L HN 0.589 nan 8.230 nan 0.000 0.438 468 S N -1.346 114.275 115.700 -0.131 0.000 2.556 468 S HA 0.222 4.696 4.470 0.006 0.000 0.216 468 S C 1.399 175.735 174.600 -0.441 0.000 0.970 468 S CA 0.199 58.292 58.200 -0.179 0.000 0.912 468 S CB 0.530 63.674 63.200 -0.094 0.000 0.790 468 S HN 0.447 nan 8.310 nan 0.000 0.504 469 G N 1.761 110.029 108.800 -0.886 0.000 2.249 469 G HA2 -0.297 3.667 3.960 0.006 0.000 0.273 469 G HA3 -0.297 3.667 3.960 0.006 0.000 0.273 469 G C -0.112 173.955 174.900 -1.387 0.000 1.036 469 G CA 0.198 44.139 45.100 -1.932 0.000 0.824 469 G HN 0.637 nan 8.290 nan 0.000 0.504 470 N N 0.084 118.285 118.700 -0.833 0.000 3.131 470 N HA 0.506 5.250 4.740 0.006 0.000 0.312 470 N C -0.251 175.233 175.510 -0.043 0.000 1.433 470 N CA -0.316 52.525 53.050 -0.348 0.000 1.141 470 N CB 0.180 38.586 38.487 -0.135 0.000 1.431 470 N HN 0.662 nan 8.380 nan 0.000 0.523 471 W N -1.550 119.688 121.300 -0.102 0.000 3.074 471 W HA 0.610 5.274 4.660 0.006 0.000 0.332 471 W C 0.441 177.012 176.519 0.087 0.000 1.253 471 W CA -1.179 56.203 57.345 0.062 0.000 1.180 471 W CB 0.160 29.715 29.460 0.158 0.000 1.445 471 W HN 0.003 nan 8.180 nan 0.000 0.573 472 G N 1.283 110.386 108.800 0.504 0.000 2.143 472 G HA2 -0.243 3.721 3.960 0.006 0.000 0.248 472 G HA3 -0.243 3.721 3.960 0.006 0.000 0.248 472 G C -0.236 174.850 174.900 0.310 0.000 0.991 472 G CA 0.512 45.892 45.100 0.467 0.000 0.689 472 G HN 0.568 nan 8.290 nan 0.000 0.522 473 K N -0.032 120.368 120.400 0.000 0.000 2.435 473 K HA 0.539 4.863 4.320 0.006 0.000 0.251 473 K C -2.887 173.226 176.600 -0.811 0.000 0.954 473 K CA -2.476 53.627 56.287 -0.306 0.000 0.820 473 K CB 2.492 34.802 32.500 -0.317 0.000 1.292 473 K HN -0.126 nan 8.250 nan 0.000 0.436 474 P HA -0.066 nan 4.420 nan 0.000 0.264 474 P C 0.442 177.482 177.300 -0.433 0.000 1.183 474 P CA 1.069 63.645 63.100 -0.873 0.000 0.763 474 P CB 0.381 31.848 31.700 -0.387 0.000 0.807 475 G N 1.224 109.836 108.800 -0.314 0.000 2.143 475 G HA2 -0.199 3.764 3.960 0.006 0.000 0.248 475 G HA3 -0.199 3.764 3.960 0.006 0.000 0.248 475 G C 0.269 175.041 174.900 -0.213 0.000 0.991 475 G CA 0.437 45.411 45.100 -0.208 0.000 0.689 475 G HN 0.831 nan 8.290 nan 0.000 0.522 476 T N -2.579 111.845 114.554 -0.216 0.000 2.940 476 T HA 1.010 5.364 4.350 0.006 0.000 0.288 476 T C 0.365 175.007 174.700 -0.097 0.000 1.045 476 T CA 0.054 62.080 62.100 -0.123 0.000 1.018 476 T CB 2.809 71.650 68.868 -0.045 0.000 1.151 476 T HN 2.199 nan 8.240 nan 0.000 0.529 477 G N -1.233 107.551 108.800 -0.028 0.000 2.347 477 G HA2 0.552 4.515 3.960 0.006 0.000 0.321 477 G HA3 0.552 4.515 3.960 0.006 0.000 0.321 477 G C -0.203 174.731 174.900 0.057 0.000 1.412 477 G CA -0.227 44.903 45.100 0.050 0.000 0.990 477 G HN 1.424 nan 8.290 nan 0.000 0.637 478 A N -0.856 121.933 122.820 -0.052 0.000 2.377 478 A HA 0.820 5.144 4.320 0.006 0.000 0.209 478 A C 0.219 177.605 177.584 -0.330 0.000 1.359 478 A CA 1.605 53.484 52.037 -0.262 0.000 1.026 478 A CB 0.257 19.006 19.000 -0.418 0.000 1.224 478 A HN 2.163 nan 8.150 nan 0.000 0.528 479 F N -4.383 115.557 119.950 -0.015 0.000 3.265 479 F HA 0.663 5.194 4.527 0.006 0.000 0.328 479 F C -0.537 175.176 175.800 -0.145 0.000 1.117 479 F CA -1.199 56.547 58.000 -0.423 0.000 0.850 479 F CB 0.759 39.277 39.000 -0.804 0.000 1.470 479 F HN 0.183 nan 8.300 nan 0.000 0.473 480 A N 0.300 123.396 122.820 0.460 0.000 2.978 480 A HA 0.454 4.778 4.320 0.006 0.000 0.341 480 A C -1.090 177.082 177.584 0.981 0.000 1.105 480 A CA -0.221 52.109 52.037 0.490 0.000 0.819 480 A CB -0.329 18.835 19.000 0.273 0.000 1.080 480 A HN 0.957 nan 8.150 nan 0.000 0.476 481 W N 1.872 123.569 121.300 0.661 0.000 2.467 481 W HA 0.459 5.123 4.660 0.006 0.000 0.369 481 W C 0.086 176.943 176.519 0.564 0.000 0.938 481 W CA -0.129 57.659 57.345 0.738 0.000 1.845 481 W CB 0.547 30.311 29.460 0.507 0.000 1.167 481 W HN 0.711 nan 8.180 nan 0.000 0.558 482 A N 1.822 124.916 122.820 0.458 0.000 2.274 482 A HA 0.558 4.882 4.320 0.006 0.000 0.309 482 A C -1.353 176.247 177.584 0.027 0.000 1.226 482 A CA 0.129 52.208 52.037 0.070 0.000 0.853 482 A CB 0.114 19.117 19.000 0.004 0.000 1.146 482 A HN 0.395 nan 8.150 nan 0.000 0.518 483 Y N -0.521 119.652 120.300 -0.211 0.000 2.641 483 Y HA 0.680 5.234 4.550 0.006 0.000 0.333 483 Y C -0.307 175.368 175.900 -0.375 0.000 1.174 483 Y CA -1.015 56.895 58.100 -0.316 0.000 1.057 483 Y CB 0.836 39.182 38.460 -0.189 0.000 1.322 483 Y HN 0.473 nan 8.280 nan 0.000 0.457 484 S N 1.135 116.705 115.700 -0.216 0.000 2.438 484 S HA 0.323 4.796 4.470 0.006 0.000 0.293 484 S C -0.349 174.265 174.600 0.024 0.000 1.141 484 S CA -0.278 57.831 58.200 -0.152 0.000 1.080 484 S CB 0.147 63.237 63.200 -0.183 0.000 0.978 484 S HN 0.776 nan 8.310 nan 0.000 0.479 485 D N 2.778 123.191 120.400 0.022 0.000 2.538 485 D HA 0.149 4.792 4.640 0.006 0.000 0.231 485 D C 0.328 176.659 176.300 0.051 0.000 1.229 485 D CA -0.261 53.762 54.000 0.038 0.000 0.828 485 D CB 0.059 40.862 40.800 0.005 0.000 1.035 485 D HN 0.410 nan 8.370 nan 0.000 0.495 486 D N 1.408 121.853 120.400 0.074 0.000 2.158 486 D HA -0.212 4.431 4.640 0.006 0.000 0.197 486 D C 1.963 178.411 176.300 0.247 0.000 0.995 486 D CA 1.460 55.593 54.000 0.221 0.000 0.846 486 D CB -0.157 40.760 40.800 0.194 0.000 0.941 486 D HN 0.373 nan 8.370 nan 0.000 0.456 487 N N 0.533 119.287 118.700 0.091 0.000 2.149 487 N HA -0.195 4.549 4.740 0.006 0.000 0.188 487 N C 1.636 177.245 175.510 0.164 0.000 1.019 487 N CA 1.097 54.184 53.050 0.062 0.000 0.857 487 N CB -0.475 37.998 38.487 -0.023 0.000 0.997 487 N HN 0.296 nan 8.380 nan 0.000 0.426 488 M N 0.529 120.241 119.600 0.187 0.000 2.216 488 M HA -0.014 4.469 4.480 0.006 0.000 0.264 488 M C 2.401 178.924 176.300 0.372 0.000 1.080 488 M CA 1.153 56.629 55.300 0.293 0.000 1.153 488 M CB -0.065 32.648 32.600 0.188 0.000 1.356 488 M HN 0.138 nan 8.290 nan 0.000 0.432 489 V N -2.160 117.896 119.914 0.237 0.000 2.453 489 V HA -0.197 3.927 4.120 0.006 0.000 0.247 489 V C 1.893 178.085 176.094 0.164 0.000 1.048 489 V CA 1.369 63.800 62.300 0.218 0.000 1.049 489 V CB -1.314 30.521 31.823 0.020 0.000 0.672 489 V HN 0.350 nan 8.190 nan 0.000 0.457 490 Y N 0.238 120.637 120.300 0.164 0.000 2.200 490 Y HA -0.003 4.551 4.550 0.006 0.000 0.290 490 Y C 2.385 178.361 175.900 0.127 0.000 1.137 490 Y CA 1.860 60.032 58.100 0.120 0.000 1.163 490 Y CB -0.459 38.032 38.460 0.051 0.000 0.988 490 Y HN 0.299 nan 8.280 nan 0.000 0.518 491 L N 0.066 121.468 121.223 0.297 0.000 2.079 491 L HA -0.121 4.222 4.340 0.006 0.000 0.210 491 L C 2.330 179.365 176.870 0.275 0.000 1.081 491 L CA 2.189 57.172 54.840 0.238 0.000 0.752 491 L CB -1.080 41.112 42.059 0.222 0.000 0.896 491 L HN 0.202 nan 8.230 nan 0.000 0.433 492 G N -1.579 107.429 108.800 0.346 0.000 2.448 492 G HA2 -0.119 3.845 3.960 0.006 0.000 0.218 492 G HA3 -0.119 3.845 3.960 0.006 0.000 0.218 492 G C 1.303 176.235 174.900 0.053 0.000 1.135 492 G CA 1.156 46.431 45.100 0.292 0.000 0.784 492 G HN 0.498 nan 8.290 nan 0.000 0.543 493 V N -3.547 116.435 119.914 0.113 0.000 3.562 493 V HA 0.465 4.589 4.120 0.006 0.000 0.270 493 V C 1.159 177.358 176.094 0.175 0.000 1.418 493 V CA -0.237 62.119 62.300 0.094 0.000 1.033 493 V CB -0.203 31.577 31.823 -0.072 0.000 0.820 493 V HN 0.142 nan 8.190 nan 0.000 0.441 494 M N 2.370 122.062 119.600 0.155 0.000 2.248 494 M HA 0.197 4.681 4.480 0.006 0.000 0.337 494 M C 1.523 177.876 176.300 0.089 0.000 1.121 494 M CA 0.770 56.149 55.300 0.132 0.000 1.155 494 M CB 1.522 34.200 32.600 0.129 0.000 1.514 494 M HN 0.486 nan 8.290 nan 0.000 0.452 495 S N 1.183 116.921 115.700 0.063 0.000 2.528 495 S HA 0.083 4.557 4.470 0.006 0.000 0.219 495 S C 0.215 174.813 174.600 -0.003 0.000 0.985 495 S CA 0.012 58.228 58.200 0.028 0.000 0.914 495 S CB -0.006 63.208 63.200 0.023 0.000 0.776 495 S HN 0.768 nan 8.310 nan 0.000 0.526 496 K N -0.552 119.839 120.400 -0.015 0.000 2.548 496 K HA 0.602 4.925 4.320 0.006 0.000 0.282 496 K C -3.708 172.837 176.600 -0.092 0.000 1.006 496 K CA -2.327 53.919 56.287 -0.069 0.000 0.892 496 K CB 0.362 32.819 32.500 -0.072 0.000 1.499 496 K HN -0.186 nan 8.250 nan 0.000 0.433 497 P HA 0.060 nan 4.420 nan 0.000 0.270 497 P C 0.309 177.535 177.300 -0.124 0.000 1.223 497 P CA -0.164 62.834 63.100 -0.171 0.000 0.785 497 P CB 0.478 31.995 31.700 -0.305 0.000 0.923 498 T N 1.366 115.852 114.554 -0.115 0.000 2.665 498 T HA -0.242 4.111 4.350 0.006 0.000 0.268 498 T C 1.728 176.355 174.700 -0.122 0.000 1.035 498 T CA 2.201 64.219 62.100 -0.136 0.000 1.151 498 T CB -0.853 67.919 68.868 -0.161 0.000 0.862 498 T HN 0.500 nan 8.240 nan 0.000 0.438 499 A N 0.796 123.553 122.820 -0.105 0.000 2.178 499 A HA -0.084 4.239 4.320 0.006 0.000 0.218 499 A C 1.971 179.505 177.584 -0.084 0.000 1.157 499 A CA 1.118 53.104 52.037 -0.084 0.000 0.689 499 A CB -0.415 18.546 19.000 -0.065 0.000 0.787 499 A HN 0.596 nan 8.150 nan 0.000 0.465 500 Q N -1.839 117.900 119.800 -0.101 0.000 2.247 500 Q HA 0.322 4.665 4.340 0.006 0.000 0.204 500 Q C 0.789 176.746 176.000 -0.073 0.000 0.872 500 Q CA 0.276 56.026 55.803 -0.087 0.000 0.951 500 Q CB 0.515 29.188 28.738 -0.109 0.000 1.099 500 Q HN 0.811 nan 8.270 nan 0.000 0.501 501 G N 0.030 108.782 108.800 -0.080 0.000 2.134 501 G HA2 -0.242 3.722 3.960 0.006 0.000 0.209 501 G HA3 -0.242 3.722 3.960 0.006 0.000 0.209 501 G C 0.685 175.546 174.900 -0.065 0.000 0.993 501 G CA -0.109 44.948 45.100 -0.071 0.000 0.669 501 G HN 0.483 nan 8.290 nan 0.000 0.519 502 G N 0.272 109.029 108.800 -0.072 0.000 2.462 502 G HA2 -0.046 3.917 3.960 0.006 0.000 0.220 502 G HA3 -0.046 3.917 3.960 0.006 0.000 0.220 502 G C 1.611 176.506 174.900 -0.009 0.000 1.121 502 G CA 1.399 46.478 45.100 -0.035 0.000 0.758 502 G HN 0.590 nan 8.290 nan 0.000 0.559 503 M N 0.416 119.957 119.600 -0.097 0.000 2.556 503 M HA 0.127 4.610 4.480 0.006 0.000 0.245 503 M C 1.400 177.626 176.300 -0.124 0.000 1.128 503 M CA 0.199 55.413 55.300 -0.143 0.000 1.069 503 M CB 0.160 32.434 32.600 -0.543 0.000 1.469 503 M HN -0.018 nan 8.290 nan 0.000 0.494 504 D N 1.528 121.889 120.400 -0.065 0.000 2.104 504 D HA -0.164 4.479 4.640 0.006 0.000 0.194 504 D C 1.826 178.176 176.300 0.083 0.000 0.994 504 D CA 1.370 55.370 54.000 0.002 0.000 0.830 504 D CB -0.148 40.652 40.800 -0.000 0.000 0.959 504 D HN 0.410 nan 8.370 nan 0.000 0.452 505 E N -0.007 120.246 120.200 0.088 0.000 2.077 505 E HA -0.130 4.223 4.350 0.006 0.000 0.193 505 E C 2.398 179.109 176.600 0.186 0.000 0.989 505 E CA 0.474 56.947 56.400 0.120 0.000 0.800 505 E CB -0.125 29.638 29.700 0.106 0.000 0.746 505 E HN 0.271 nan 8.360 nan 0.000 0.452 506 L N 0.176 121.534 121.223 0.225 0.000 2.056 506 L HA -0.190 4.154 4.340 0.006 0.000 0.207 506 L C 2.415 179.491 176.870 0.343 0.000 1.078 506 L CA 1.133 56.164 54.840 0.318 0.000 0.749 506 L CB -0.341 41.931 42.059 0.356 0.000 0.901 506 L HN 0.125 nan 8.230 nan 0.000 0.433 507 H N -0.183 118.958 119.070 0.119 0.000 2.423 507 H HA -0.153 4.406 4.556 0.006 0.000 0.297 507 H C 2.263 177.621 175.328 0.051 0.000 1.075 507 H CA 1.465 57.548 56.048 0.058 0.000 1.342 507 H CB -0.124 29.664 29.762 0.043 0.000 1.395 507 H HN 0.492 nan 8.280 nan 0.000 0.530 508 Q N -0.548 119.365 119.800 0.189 0.000 2.187 508 Q HA -0.095 4.248 4.340 0.006 0.000 0.199 508 Q C 2.238 178.326 176.000 0.148 0.000 0.957 508 Q CA 1.159 57.039 55.803 0.128 0.000 0.857 508 Q CB -0.186 28.612 28.738 0.100 0.000 0.929 508 Q HN 0.412 nan 8.270 nan 0.000 0.453 509 M N 1.015 120.746 119.600 0.219 0.000 2.117 509 M HA -0.117 4.367 4.480 0.006 0.000 0.262 509 M C 2.190 178.757 176.300 0.446 0.000 1.065 509 M CA 1.830 57.334 55.300 0.341 0.000 1.114 509 M CB -0.215 32.640 32.600 0.425 0.000 1.361 509 M HN 0.395 nan 8.290 nan 0.000 0.408 510 A N 0.397 123.357 122.820 0.234 0.000 1.908 510 A HA -0.230 4.094 4.320 0.006 0.000 0.218 510 A C 1.804 179.414 177.584 0.042 0.000 1.181 510 A CA 2.155 54.150 52.037 -0.070 0.000 0.627 510 A CB -0.841 17.910 19.000 -0.416 0.000 0.818 510 A HN 0.712 nan 8.150 nan 0.000 0.445 511 E N -0.766 119.461 120.200 0.044 0.000 2.047 511 E HA -0.076 4.277 4.350 0.006 0.000 0.191 511 E C 2.229 178.860 176.600 0.052 0.000 0.987 511 E CA 0.660 57.075 56.400 0.026 0.000 0.799 511 E CB -0.477 29.233 29.700 0.016 0.000 0.752 511 E HN 0.592 nan 8.360 nan 0.000 0.449 512 G N 1.086 109.931 108.800 0.075 0.000 2.574 512 G HA2 -0.302 3.661 3.960 0.006 0.000 0.220 512 G HA3 -0.302 3.661 3.960 0.006 0.000 0.220 512 G C 1.291 176.168 174.900 -0.038 0.000 1.173 512 G CA 1.086 46.186 45.100 -0.001 0.000 0.772 512 G HN 0.152 nan 8.290 nan 0.000 0.585 513 F N 1.327 121.307 119.950 0.051 0.000 2.161 513 F HA -0.068 4.462 4.527 0.006 0.000 0.300 513 F C 2.667 178.458 175.800 -0.015 0.000 1.089 513 F CA 1.482 59.510 58.000 0.046 0.000 1.282 513 F CB -0.282 38.801 39.000 0.137 0.000 1.010 513 F HN 0.068 nan 8.300 nan 0.000 0.485 514 N N 0.136 118.907 118.700 0.119 0.000 2.084 514 N HA -0.166 4.577 4.740 0.006 0.000 0.190 514 N C 1.840 177.342 175.510 -0.014 0.000 1.030 514 N CA 1.119 54.176 53.050 0.011 0.000 0.849 514 N CB -0.367 38.097 38.487 -0.038 0.000 1.012 514 N HN 0.180 nan 8.380 nan 0.000 0.423 515 K N 0.919 121.307 120.400 -0.020 0.000 2.002 515 K HA -0.060 4.264 4.320 0.006 0.000 0.209 515 K C 1.948 178.518 176.600 -0.050 0.000 1.048 515 K CA 1.169 57.433 56.287 -0.039 0.000 0.930 515 K CB 0.017 32.493 32.500 -0.041 0.000 0.714 515 K HN 0.079 nan 8.250 nan 0.000 0.438 516 R N -0.202 120.257 120.500 -0.069 0.000 2.103 516 R HA -0.113 4.230 4.340 0.006 0.000 0.242 516 R C 2.386 178.656 176.300 -0.048 0.000 1.142 516 R CA 2.090 58.140 56.100 -0.083 0.000 0.960 516 R CB -0.503 29.705 30.300 -0.154 0.000 0.858 516 R HN 0.266 nan 8.270 nan 0.000 0.439 517 T N 1.323 115.864 114.554 -0.022 0.000 2.701 517 T HA -0.079 4.274 4.350 0.006 0.000 0.263 517 T C 1.853 176.530 174.700 -0.039 0.000 1.040 517 T CA 0.994 63.085 62.100 -0.015 0.000 1.147 517 T CB -0.186 68.683 68.868 0.001 0.000 0.865 517 T HN 0.116 nan 8.240 nan 0.000 0.426 518 L N 0.692 121.888 121.223 -0.045 0.000 2.079 518 L HA -0.168 4.175 4.340 0.006 0.000 0.210 518 L C 2.757 179.596 176.870 -0.052 0.000 1.081 518 L CA 1.557 56.365 54.840 -0.053 0.000 0.752 518 L CB -0.556 41.471 42.059 -0.054 0.000 0.896 518 L HN 0.403 nan 8.230 nan 0.000 0.433 519 E N -0.153 120.018 120.200 -0.049 0.000 2.031 519 E HA -0.246 4.107 4.350 0.006 0.000 0.193 519 E C 2.282 178.853 176.600 -0.048 0.000 0.994 519 E CA 1.254 57.626 56.400 -0.048 0.000 0.800 519 E CB -0.192 29.479 29.700 -0.048 0.000 0.752 519 E HN 0.513 nan 8.360 nan 0.000 0.447 520 A N 0.913 123.706 122.820 -0.046 0.000 1.908 520 A HA -0.167 4.157 4.320 0.006 0.000 0.218 520 A C 1.085 178.636 177.584 -0.056 0.000 1.181 520 A CA 1.537 53.546 52.037 -0.046 0.000 0.627 520 A CB 0.083 19.060 19.000 -0.038 0.000 0.818 520 A HN 0.212 nan 8.150 nan 0.000 0.445 521 D N -2.910 117.454 120.400 -0.060 0.000 2.375 521 D HA 0.341 4.985 4.640 0.006 0.000 0.241 521 D C -2.700 173.557 176.300 -0.071 0.000 1.361 521 D CA -1.687 52.269 54.000 -0.073 0.000 0.995 521 D CB 1.389 42.140 40.800 -0.083 0.000 1.312 521 D HN -0.109 nan 8.370 nan 0.000 0.576 522 P HA -0.005 nan 4.420 nan 0.000 0.239 522 P C 1.039 178.297 177.300 -0.071 0.000 1.184 522 P CA 0.871 63.931 63.100 -0.066 0.000 0.760 522 P CB 0.142 31.805 31.700 -0.062 0.000 0.884 523 T N -6.101 108.406 114.554 -0.079 0.000 3.086 523 T HA 0.171 4.525 4.350 0.006 0.000 0.250 523 T C 0.884 175.537 174.700 -0.078 0.000 1.074 523 T CA -0.183 61.868 62.100 -0.081 0.000 0.988 523 T CB -0.574 68.238 68.868 -0.093 0.000 0.988 523 T HN -0.139 nan 8.240 nan 0.000 0.530 524 S N 2.972 118.626 115.700 -0.078 0.000 2.573 524 S HA 0.397 4.871 4.470 0.006 0.000 0.277 524 S C 0.769 175.321 174.600 -0.080 0.000 1.346 524 S CA -0.330 57.825 58.200 -0.076 0.000 1.034 524 S CB 0.738 63.895 63.200 -0.072 0.000 0.879 524 S HN 0.791 nan 8.310 nan 0.000 0.528 525 T N -1.051 113.454 114.554 -0.082 0.000 2.948 525 T HA 0.360 4.713 4.350 0.006 0.000 0.285 525 T C 0.797 175.412 174.700 -0.142 0.000 1.019 525 T CA -0.659 61.383 62.100 -0.097 0.000 1.013 525 T CB 0.849 69.676 68.868 -0.069 0.000 1.117 525 T HN 0.513 nan 8.240 nan 0.000 0.533 526 D N 0.177 120.473 120.400 -0.174 0.000 2.133 526 D HA -0.256 4.388 4.640 0.006 0.000 0.195 526 D C 1.557 177.522 176.300 -0.558 0.000 0.997 526 D CA 1.703 55.510 54.000 -0.320 0.000 0.840 526 D CB -0.509 40.155 40.800 -0.227 0.000 0.947 526 D HN 0.847 nan 8.370 nan 0.000 0.452 527 E N -0.205 119.788 120.200 -0.346 0.000 2.118 527 E HA -0.195 4.158 4.350 0.006 0.000 0.195 527 E C 2.100 178.574 176.600 -0.209 0.000 0.992 527 E CA 1.082 57.332 56.400 -0.250 0.000 0.804 527 E CB -0.122 29.617 29.700 0.065 0.000 0.741 527 E HN 0.341 nan 8.360 nan 0.000 0.458 528 M N -0.380 119.130 119.600 -0.151 0.000 2.200 528 M HA 0.003 4.486 4.480 0.006 0.000 0.265 528 M C 2.383 178.613 176.300 -0.117 0.000 1.066 528 M CA 1.326 56.563 55.300 -0.105 0.000 1.127 528 M CB -0.158 32.396 32.600 -0.076 0.000 1.379 528 M HN 0.232 nan 8.290 nan 0.000 0.420 529 G N 0.690 109.397 108.800 -0.154 0.000 2.418 529 G HA2 -0.265 3.699 3.960 0.006 0.000 0.217 529 G HA3 -0.265 3.699 3.960 0.006 0.000 0.217 529 G C 1.334 176.152 174.900 -0.137 0.000 1.158 529 G CA 1.110 46.148 45.100 -0.104 0.000 0.771 529 G HN 0.501 nan 8.290 nan 0.000 0.545 530 N N 0.741 119.253 118.700 -0.315 0.000 2.120 530 N HA -0.093 4.650 4.740 0.006 0.000 0.188 530 N C 2.350 177.734 175.510 -0.210 0.000 1.024 530 N CA 1.145 54.007 53.050 -0.313 0.000 0.852 530 N CB -0.182 38.002 38.487 -0.505 0.000 1.003 530 N HN 0.388 nan 8.380 nan 0.000 0.424 531 I N 1.423 121.856 120.570 -0.228 0.000 2.163 531 I HA -0.233 3.941 4.170 0.006 0.000 0.243 531 I C 2.351 178.342 176.117 -0.211 0.000 1.085 531 I CA 1.051 62.170 61.300 -0.302 0.000 1.347 531 I CB -0.257 37.654 38.000 -0.148 0.000 1.044 531 I HN 0.113 nan 8.210 nan 0.000 0.408 532 E N 0.567 120.718 120.200 -0.081 0.000 2.058 532 E HA -0.264 4.089 4.350 0.006 0.000 0.194 532 E C 2.055 178.542 176.600 -0.189 0.000 0.997 532 E CA 1.451 57.856 56.400 0.008 0.000 0.801 532 E CB -0.716 29.094 29.700 0.183 0.000 0.746 532 E HN 0.485 nan 8.360 nan 0.000 0.450 533 F N 1.268 120.861 119.950 -0.595 0.000 2.091 533 F HA -0.272 4.258 4.527 0.006 0.000 0.299 533 F C 2.236 177.637 175.800 -0.664 0.000 1.103 533 F CA 1.579 58.868 58.000 -1.184 0.000 1.228 533 F CB -0.086 38.455 39.000 -0.764 0.000 0.984 533 F HN -0.054 nan 8.300 nan 0.000 0.477 534 M N 0.541 119.972 119.600 -0.282 0.000 2.159 534 M HA -0.180 4.304 4.480 0.006 0.000 0.263 534 M C 2.042 178.206 176.300 -0.227 0.000 1.063 534 M CA 1.575 56.699 55.300 -0.294 0.000 1.110 534 M CB -1.157 31.152 32.600 -0.485 0.000 1.374 534 M HN 0.190 nan 8.290 nan 0.000 0.411 535 K N -0.318 119.989 120.400 -0.154 0.000 2.032 535 K HA -0.129 4.195 4.320 0.006 0.000 0.209 535 K C 2.049 178.639 176.600 -0.016 0.000 1.048 535 K CA 1.403 57.707 56.287 0.028 0.000 0.927 535 K CB -0.395 32.162 32.500 0.095 0.000 0.712 535 K HN 0.183 nan 8.250 nan 0.000 0.441 536 V N 1.460 121.287 119.914 -0.146 0.000 2.255 536 V HA -0.209 3.914 4.120 0.006 0.000 0.243 536 V C 2.469 178.448 176.094 -0.193 0.000 1.038 536 V CA 1.827 64.061 62.300 -0.111 0.000 1.008 536 V CB -0.559 31.234 31.823 -0.050 0.000 0.645 536 V HN 0.243 nan 8.190 nan 0.000 0.449 537 V N -1.567 118.076 119.914 -0.453 0.000 2.469 537 V HA -0.266 3.857 4.120 0.006 0.000 0.251 537 V C 2.201 178.181 176.094 -0.189 0.000 1.064 537 V CA 2.651 64.705 62.300 -0.410 0.000 1.066 537 V CB -1.650 29.732 31.823 -0.736 0.000 0.667 537 V HN 0.557 nan 8.190 nan 0.000 0.461 538 T N 0.960 115.442 114.554 -0.120 0.000 2.684 538 T HA -0.170 4.183 4.350 0.006 0.000 0.267 538 T C 2.097 176.836 174.700 0.065 0.000 1.036 538 T CA 2.278 64.372 62.100 -0.011 0.000 1.148 538 T CB -0.470 68.427 68.868 0.047 0.000 0.863 538 T HN 0.649 nan 8.240 nan 0.000 0.436 539 S N 1.028 116.780 115.700 0.086 0.000 2.428 539 S HA 0.130 4.603 4.470 0.006 0.000 0.230 539 S C 2.487 177.140 174.600 0.088 0.000 1.014 539 S CA 0.659 58.916 58.200 0.095 0.000 0.957 539 S CB -0.343 62.881 63.200 0.041 0.000 0.784 539 S HN 0.564 nan 8.310 nan 0.000 0.499 540 A N 1.218 124.073 122.820 0.058 0.000 2.015 540 A HA -0.009 4.315 4.320 0.006 0.000 0.219 540 A C 2.082 179.750 177.584 0.139 0.000 1.163 540 A CA 1.493 53.587 52.037 0.095 0.000 0.646 540 A CB -0.542 18.482 19.000 0.039 0.000 0.806 540 A HN 0.574 nan 8.150 nan 0.000 0.448 541 V N -4.223 115.732 119.914 0.068 0.000 3.542 541 V HA 0.556 4.679 4.120 0.006 0.000 0.296 541 V C 1.148 177.343 176.094 0.167 0.000 1.364 541 V CA 0.621 62.967 62.300 0.077 0.000 1.118 541 V CB -0.756 31.010 31.823 -0.096 0.000 0.972 541 V HN 1.437 nan 8.190 nan 0.000 0.430 542 G N 0.836 109.705 108.800 0.115 0.000 2.136 542 G HA2 -0.231 3.733 3.960 0.006 0.000 0.242 542 G HA3 -0.231 3.733 3.960 0.006 0.000 0.242 542 G C -0.153 174.802 174.900 0.093 0.000 0.989 542 G CA 0.353 45.491 45.100 0.062 0.000 0.682 542 G HN 0.598 nan 8.290 nan 0.000 0.522 543 L N 0.769 122.067 121.223 0.124 0.000 2.281 543 L HA 0.627 4.970 4.340 0.006 0.000 0.285 543 L C 0.749 177.813 176.870 0.323 0.000 1.074 543 L CA -0.817 54.120 54.840 0.161 0.000 0.817 543 L CB 1.455 43.537 42.059 0.040 0.000 1.168 543 L HN 0.324 nan 8.230 nan 0.000 0.434 544 V N 2.078 122.166 119.914 0.290 0.000 2.876 544 V HA 0.641 4.765 4.120 0.006 0.000 0.312 544 V C -2.621 173.549 176.094 0.127 0.000 1.085 544 V CA -2.554 59.906 62.300 0.266 0.000 0.945 544 V CB 1.858 33.789 31.823 0.181 0.000 1.017 544 V HN 0.464 nan 8.190 nan 0.000 0.428 545 P HA 0.192 nan 4.420 nan 0.000 0.262 545 P C -2.162 175.151 177.300 0.022 0.000 1.199 545 P CA -0.878 62.055 63.100 -0.278 0.000 0.763 545 P CB 0.450 31.850 31.700 -0.501 0.000 0.790 546 P HA -0.137 nan 4.420 nan 0.000 0.223 546 P C 1.288 178.731 177.300 0.238 0.000 1.151 546 P CA 1.087 64.372 63.100 0.308 0.000 0.787 546 P CB -0.190 31.655 31.700 0.242 0.000 0.788 547 A N -0.040 122.815 122.820 0.058 0.000 1.978 547 A HA -0.191 4.132 4.320 0.006 0.000 0.220 547 A C 2.202 179.931 177.584 0.241 0.000 1.170 547 A CA 1.817 53.902 52.037 0.080 0.000 0.636 547 A CB -1.158 17.757 19.000 -0.142 0.000 0.810 547 A HN 0.041 nan 8.150 nan 0.000 0.448 548 M N -0.591 119.145 119.600 0.227 0.000 2.077 548 M HA -0.099 4.385 4.480 0.006 0.000 0.261 548 M C 2.316 178.925 176.300 0.516 0.000 1.070 548 M CA 1.286 56.796 55.300 0.350 0.000 1.125 548 M CB -1.654 31.153 32.600 0.344 0.000 1.339 548 M HN 0.955 nan 8.290 nan 0.000 0.409 549 W N 1.055 122.558 121.300 0.339 0.000 2.436 549 W HA -0.041 4.623 4.660 0.007 0.000 0.284 549 W C 1.682 178.392 176.519 0.319 0.000 1.225 549 W CA 0.520 58.118 57.345 0.422 0.000 1.271 549 W CB -1.441 28.207 29.460 0.314 0.000 1.114 549 W HN 0.156 nan 8.180 nan 0.000 0.559 550 L N 0.197 121.016 121.223 -0.672 0.000 2.046 550 L HA -0.256 4.087 4.340 0.006 0.000 0.208 550 L C 2.800 179.455 176.870 -0.358 0.000 1.077 550 L CA 2.094 56.497 54.840 -0.728 0.000 0.747 550 L CB -1.273 40.373 42.059 -0.689 0.000 0.896 550 L HN -0.070 nan 8.230 nan 0.000 0.432 551 Y N -0.531 119.591 120.300 -0.296 0.000 2.163 551 Y HA -0.289 4.264 4.550 0.006 0.000 0.288 551 Y C 2.330 178.023 175.900 -0.345 0.000 1.136 551 Y CA 1.680 59.578 58.100 -0.336 0.000 1.147 551 Y CB -0.198 38.152 38.460 -0.185 0.000 0.987 551 Y HN 0.024 nan 8.280 nan 0.000 0.509 552 Y N -1.654 118.651 120.300 0.009 0.000 2.420 552 Y HA -0.054 4.500 4.550 0.006 0.000 0.292 552 Y C 2.001 177.615 175.900 -0.477 0.000 1.119 552 Y CA 1.378 59.338 58.100 -0.232 0.000 1.229 552 Y CB -0.030 38.302 38.460 -0.213 0.000 1.026 552 Y HN 0.277 nan 8.280 nan 0.000 0.554 553 H N -3.021 116.099 119.070 0.084 0.000 3.255 553 H HA 0.337 4.896 4.556 0.006 0.000 0.256 553 H C 0.983 176.222 175.328 -0.148 0.000 1.049 553 H CA 0.545 56.612 56.048 0.032 0.000 1.202 553 H CB 0.768 30.650 29.762 0.200 0.000 1.497 553 H HN 0.041 nan 8.280 nan 0.000 0.503 554 V N -0.098 119.700 119.914 -0.194 0.000 3.276 554 V HA 0.277 4.401 4.120 0.006 0.000 0.319 554 V C 1.446 177.345 176.094 -0.325 0.000 1.427 554 V CA 0.608 62.726 62.300 -0.304 0.000 1.102 554 V CB 0.476 32.030 31.823 -0.448 0.000 1.020 554 V HN 0.601 nan 8.190 nan 0.000 0.456 555 G N 0.092 108.695 108.800 -0.328 0.000 2.153 555 G HA2 -0.368 3.596 3.960 0.006 0.000 0.252 555 G HA3 -0.368 3.596 3.960 0.006 0.000 0.252 555 G C 0.406 174.978 174.900 -0.546 0.000 0.994 555 G CA 0.680 45.543 45.100 -0.395 0.000 0.698 555 G HN 0.538 nan 8.290 nan 0.000 0.521 556 Y N 1.288 121.151 120.300 -0.729 0.000 2.616 556 Y HA 0.007 4.561 4.550 0.006 0.000 0.296 556 Y C 2.560 177.856 175.900 -1.007 0.000 1.154 556 Y CA 1.217 58.650 58.100 -1.111 0.000 1.325 556 Y CB 0.115 37.413 38.460 -1.938 0.000 1.007 556 Y HN 0.542 nan 8.280 nan 0.000 0.542 557 D N -0.055 119.917 120.400 -0.713 0.000 2.218 557 D HA -0.223 4.420 4.640 0.006 0.000 0.204 557 D C 1.251 177.379 176.300 -0.286 0.000 0.976 557 D CA 1.182 54.793 54.000 -0.647 0.000 0.853 557 D CB -0.353 39.734 40.800 -1.189 0.000 0.939 557 D HN 0.418 nan 8.370 nan 0.000 0.481 558 Q N -0.646 118.962 119.800 -0.318 0.000 2.297 558 Q HA 0.013 4.356 4.340 0.006 0.000 0.204 558 Q C 1.715 177.629 176.000 -0.144 0.000 0.962 558 Q CA 0.507 56.190 55.803 -0.200 0.000 0.879 558 Q CB 0.162 28.788 28.738 -0.187 0.000 0.947 558 Q HN 0.232 nan 8.270 nan 0.000 0.462 559 L N -1.643 119.480 121.223 -0.167 0.000 2.189 559 L HA 0.003 4.346 4.340 0.006 0.000 0.199 559 L C 1.646 178.676 176.870 0.267 0.000 1.074 559 L CA 1.038 55.903 54.840 0.041 0.000 0.783 559 L CB -0.838 41.188 42.059 -0.056 0.000 0.955 559 L HN 0.297 nan 8.230 nan 0.000 0.460 560 W N 0.274 121.606 121.300 0.054 0.000 2.595 560 W HA 0.023 4.686 4.660 0.005 0.000 0.257 560 W C 1.377 177.967 176.519 0.119 0.000 1.267 560 W CA 0.217 57.578 57.345 0.026 0.000 1.300 560 W CB -1.148 28.195 29.460 -0.196 0.000 1.120 560 W HN 0.254 nan 8.180 nan 0.000 0.618 561 N N 0.518 119.405 118.700 0.311 0.000 2.268 561 N HA -0.062 4.682 4.740 0.006 0.000 0.204 561 N C 0.054 175.600 175.510 0.061 0.000 1.124 561 N CA 0.185 53.367 53.050 0.221 0.000 0.838 561 N CB -0.342 38.260 38.487 0.191 0.000 0.994 561 N HN -0.062 nan 8.380 nan 0.000 0.489 562 N N 1.659 120.348 118.700 -0.020 0.000 2.399 562 N HA 0.053 4.797 4.740 0.006 0.000 0.259 562 N C 0.775 176.204 175.510 -0.135 0.000 1.160 562 N CA 0.191 53.093 53.050 -0.247 0.000 0.946 562 N CB 0.583 38.622 38.487 -0.747 0.000 1.156 562 N HN 0.037 nan 8.380 nan 0.000 0.489 563 K N 2.329 122.671 120.400 -0.097 0.000 2.280 563 K HA -0.070 4.253 4.320 0.006 0.000 0.202 563 K C 1.540 178.122 176.600 -0.029 0.000 1.047 563 K CA 1.116 57.388 56.287 -0.025 0.000 0.942 563 K CB 0.099 32.586 32.500 -0.023 0.000 0.739 563 K HN 0.581 nan 8.250 nan 0.000 0.457 564 A N 0.516 123.261 122.820 -0.124 0.000 2.019 564 A HA -0.136 4.188 4.320 0.006 0.000 0.219 564 A C 0.898 178.592 177.584 0.184 0.000 1.164 564 A CA 0.890 52.901 52.037 -0.044 0.000 0.644 564 A CB -0.369 18.543 19.000 -0.147 0.000 0.805 564 A HN 0.383 nan 8.150 nan 0.000 0.449 565 W N 0.095 121.403 121.300 0.013 0.000 3.123 565 W HA 0.329 4.992 4.660 0.004 0.000 0.383 565 W C -0.231 176.262 176.519 -0.044 0.000 1.102 565 W CA -0.589 56.751 57.345 -0.008 0.000 1.865 565 W CB -1.171 28.305 29.460 0.026 0.000 1.111 565 W HN -0.008 nan 8.180 nan 0.000 0.621 566 T N 0.576 115.220 114.554 0.149 0.000 2.925 566 T HA 0.104 4.457 4.350 0.006 0.000 0.285 566 T C -0.478 174.194 174.700 -0.046 0.000 1.021 566 T CA -0.479 61.671 62.100 0.083 0.000 1.042 566 T CB 2.058 71.006 68.868 0.133 0.000 1.037 566 T HN -0.256 nan 8.240 nan 0.000 0.481 567 D N 2.868 123.194 120.400 -0.122 0.000 2.502 567 D HA 0.025 4.669 4.640 0.006 0.000 0.249 567 D C -1.244 175.065 176.300 0.016 0.000 1.188 567 D CA -1.632 52.328 54.000 -0.066 0.000 0.890 567 D CB 0.905 41.768 40.800 0.105 0.000 1.140 567 D HN 0.088 nan 8.370 nan 0.000 0.505 568 P HA -0.031 nan 4.420 nan 0.000 0.230 568 P C 0.702 178.012 177.300 0.016 0.000 1.158 568 P CA 0.600 63.706 63.100 0.010 0.000 0.769 568 P CB 0.097 31.797 31.700 0.000 0.000 0.807 569 A N -0.701 122.130 122.820 0.018 0.000 2.206 569 A HA 0.061 4.384 4.320 0.006 0.000 0.211 569 A C 1.149 178.755 177.584 0.038 0.000 1.158 569 A CA 0.289 52.338 52.037 0.019 0.000 0.761 569 A CB -0.842 18.161 19.000 0.006 0.000 0.801 569 A HN 0.157 nan 8.150 nan 0.000 0.473 570 L N -0.014 121.245 121.223 0.061 0.000 2.375 570 L HA 0.198 4.541 4.340 0.006 0.000 0.271 570 L C 1.505 178.422 176.870 0.079 0.000 1.107 570 L CA -0.471 54.434 54.840 0.109 0.000 0.806 570 L CB 1.234 43.390 42.059 0.162 0.000 1.146 570 L HN 0.417 nan 8.230 nan 0.000 0.447 571 K N 1.807 122.237 120.400 0.050 0.000 2.426 571 K HA 0.118 4.442 4.320 0.006 0.000 0.193 571 K C -0.012 176.522 176.600 -0.109 0.000 1.028 571 K CA 0.195 56.453 56.287 -0.048 0.000 1.047 571 K CB 0.299 32.744 32.500 -0.092 0.000 0.821 571 K HN 0.645 nan 8.250 nan 0.000 0.513 572 K N 0.247 120.583 120.400 -0.107 0.000 2.617 572 K HA 0.195 4.519 4.320 0.006 0.000 0.293 572 K C -1.046 175.577 176.600 0.039 0.000 1.034 572 K CA -0.829 55.370 56.287 -0.147 0.000 0.884 572 K CB 1.066 33.335 32.500 -0.385 0.000 1.541 572 K HN 0.018 nan 8.250 nan 0.000 0.409 573 S N -0.074 115.651 115.700 0.043 0.000 2.600 573 S HA 0.123 4.597 4.470 0.006 0.000 0.265 573 S C 1.011 175.772 174.600 0.269 0.000 1.325 573 S CA -0.595 57.708 58.200 0.172 0.000 1.002 573 S CB 0.218 63.507 63.200 0.148 0.000 0.921 573 S HN 0.621 nan 8.310 nan 0.000 0.554 574 F N 2.248 122.295 119.950 0.162 0.000 2.063 574 F HA -0.118 4.413 4.527 0.006 0.000 0.298 574 F C 2.257 178.088 175.800 0.051 0.000 1.105 574 F CA 2.412 60.468 58.000 0.093 0.000 1.215 574 F CB -1.089 37.942 39.000 0.052 0.000 0.972 574 F HN 0.745 nan 8.300 nan 0.000 0.483 575 G N -0.939 107.966 108.800 0.175 0.000 2.422 575 G HA2 -0.110 3.854 3.960 0.006 0.000 0.218 575 G HA3 -0.110 3.854 3.960 0.006 0.000 0.218 575 G C 1.744 176.613 174.900 -0.052 0.000 1.140 575 G CA 0.690 45.790 45.100 0.000 0.000 0.775 575 G HN 0.684 nan 8.290 nan 0.000 0.545 576 A N 0.228 123.031 122.820 -0.030 0.000 1.873 576 A HA 0.044 4.368 4.320 0.006 0.000 0.215 576 A C 2.181 179.650 177.584 -0.191 0.000 1.186 576 A CA 1.347 53.316 52.037 -0.114 0.000 0.616 576 A CB -0.628 18.270 19.000 -0.171 0.000 0.823 576 A HN 0.359 nan 8.150 nan 0.000 0.442 577 Y N -0.732 119.420 120.300 -0.247 0.000 2.181 577 Y HA -0.181 4.373 4.550 0.006 0.000 0.288 577 Y C 2.258 178.102 175.900 -0.093 0.000 1.146 577 Y CA 1.502 59.417 58.100 -0.308 0.000 1.164 577 Y CB -0.494 37.688 38.460 -0.463 0.000 0.982 577 Y HN 0.340 nan 8.280 nan 0.000 0.515 578 L N 0.372 121.505 121.223 -0.149 0.000 2.012 578 L HA -0.250 4.093 4.340 0.006 0.000 0.210 578 L C 1.727 178.627 176.870 0.051 0.000 1.073 578 L CA 2.071 56.813 54.840 -0.163 0.000 0.748 578 L CB -0.923 40.829 42.059 -0.512 0.000 0.891 578 L HN 0.087 nan 8.230 nan 0.000 0.431 579 D N -0.521 119.892 120.400 0.022 0.000 2.123 579 D HA -0.235 4.409 4.640 0.006 0.000 0.196 579 D C 2.127 178.475 176.300 0.079 0.000 0.992 579 D CA 1.494 55.535 54.000 0.068 0.000 0.833 579 D CB -0.056 40.769 40.800 0.042 0.000 0.954 579 D HN 0.578 nan 8.370 nan 0.000 0.455 580 E N 0.097 120.348 120.200 0.085 0.000 2.072 580 E HA -0.147 4.207 4.350 0.006 0.000 0.191 580 E C 1.972 178.637 176.600 0.108 0.000 0.985 580 E CA 0.950 57.409 56.400 0.100 0.000 0.801 580 E CB 0.014 29.802 29.700 0.147 0.000 0.750 580 E HN 0.184 nan 8.360 nan 0.000 0.452 581 A N 2.339 125.359 122.820 0.334 0.000 1.902 581 A HA -0.218 4.105 4.320 0.006 0.000 0.217 581 A C 2.096 179.817 177.584 0.228 0.000 1.181 581 A CA 2.002 54.274 52.037 0.391 0.000 0.623 581 A CB -0.524 19.009 19.000 0.888 0.000 0.818 581 A HN 0.328 nan 8.150 nan 0.000 0.443 582 K N -0.599 119.968 120.400 0.280 0.000 2.217 582 K HA -0.108 4.216 4.320 0.006 0.000 0.202 582 K C 1.567 178.214 176.600 0.078 0.000 1.051 582 K CA 1.504 57.927 56.287 0.227 0.000 0.952 582 K CB -0.174 32.480 32.500 0.257 0.000 0.736 582 K HN 0.305 nan 8.250 nan 0.000 0.453 583 E N 2.001 122.210 120.200 0.015 0.000 2.110 583 E HA -0.094 4.259 4.350 0.006 0.000 0.193 583 E C 1.266 177.790 176.600 -0.128 0.000 0.988 583 E CA 1.405 57.783 56.400 -0.037 0.000 0.804 583 E CB 0.067 29.744 29.700 -0.038 0.000 0.745 583 E HN 0.349 nan 8.360 nan 0.000 0.458 584 K N -1.474 118.739 120.400 -0.311 0.000 2.444 584 K HA 0.157 4.480 4.320 0.006 0.000 0.193 584 K C 0.809 177.172 176.600 -0.395 0.000 1.024 584 K CA 0.498 56.460 56.287 -0.542 0.000 1.077 584 K CB 0.442 32.182 32.500 -1.265 0.000 0.833 584 K HN 0.258 nan 8.250 nan 0.000 0.517 585 G N 0.671 109.381 108.800 -0.150 0.000 2.136 585 G HA2 -0.182 3.782 3.960 0.006 0.000 0.242 585 G HA3 -0.182 3.782 3.960 0.006 0.000 0.242 585 G C 0.327 175.334 174.900 0.179 0.000 0.989 585 G CA -0.033 45.096 45.100 0.048 0.000 0.682 585 G HN 0.269 nan 8.290 nan 0.000 0.522 586 W N -0.759 120.526 121.300 -0.024 0.000 2.584 586 W HA 0.433 5.097 4.660 0.006 0.000 0.264 586 W C 0.790 176.943 176.519 -0.609 0.000 1.264 586 W CA -0.100 57.064 57.345 -0.302 0.000 1.306 586 W CB -0.356 28.897 29.460 -0.346 0.000 1.110 586 W HN 0.362 nan 8.180 nan 0.000 0.606 587 W N 0.533 122.045 121.300 0.353 0.000 2.785 587 W HA 0.417 5.081 4.660 0.007 0.000 0.333 587 W C 0.407 177.144 176.519 0.364 0.000 1.062 587 W CA -0.675 56.877 57.345 0.346 0.000 1.233 587 W CB 0.927 30.525 29.460 0.230 0.000 1.413 587 W HN -0.438 nan 8.180 nan 0.000 0.489 588 T N -1.923 113.043 114.554 0.686 0.000 2.919 588 T HA 0.250 4.603 4.350 0.006 0.000 0.282 588 T C 0.699 175.579 174.700 0.300 0.000 1.020 588 T CA -0.668 61.652 62.100 0.367 0.000 0.994 588 T CB 1.398 70.407 68.868 0.235 0.000 1.180 588 T HN 0.401 nan 8.240 nan 0.000 0.566 589 N N 0.053 118.871 118.700 0.196 0.000 2.520 589 N HA -0.079 4.664 4.740 0.006 0.000 0.185 589 N C 0.589 176.201 175.510 0.170 0.000 1.068 589 N CA 0.662 53.819 53.050 0.178 0.000 0.911 589 N CB -0.463 38.115 38.487 0.151 0.000 0.961 589 N HN 0.510 nan 8.380 nan 0.000 0.446 590 D N -1.114 119.348 120.400 0.103 0.000 2.355 590 D HA -0.022 4.622 4.640 0.006 0.000 0.218 590 D C 1.261 177.554 176.300 -0.013 0.000 1.004 590 D CA 0.524 54.550 54.000 0.043 0.000 0.880 590 D CB 0.070 40.886 40.800 0.026 0.000 0.911 590 D HN 0.414 nan 8.370 nan 0.000 0.528 591 H N -0.343 118.894 119.070 0.278 0.000 2.439 591 H HA 0.237 4.797 4.556 0.006 0.000 0.299 591 H C 0.837 176.302 175.328 0.229 0.000 1.033 591 H CA 0.223 56.452 56.048 0.301 0.000 1.348 591 H CB 0.825 30.877 29.762 0.484 0.000 1.449 591 H HN 0.093 nan 8.280 nan 0.000 0.544 592 I N 2.881 123.657 120.570 0.345 0.000 2.224 592 I HA 0.148 4.322 4.170 0.006 0.000 0.293 592 I C -0.092 176.159 176.117 0.223 0.000 1.155 592 I CA 0.208 61.678 61.300 0.283 0.000 1.297 592 I CB -0.094 38.051 38.000 0.242 0.000 1.487 592 I HN -0.110 nan 8.210 nan 0.000 0.564 593 R N 4.876 125.517 120.500 0.234 0.000 2.725 593 R HA 0.508 4.851 4.340 0.006 0.000 0.277 593 R C -2.736 173.693 176.300 0.214 0.000 0.987 593 R CA -1.982 54.219 56.100 0.169 0.000 0.901 593 R CB 1.733 32.056 30.300 0.039 0.000 1.207 593 R HN 0.022 nan 8.270 nan 0.000 0.463 594 P HA -0.030 nan 4.420 nan 0.000 0.267 594 P C -0.536 176.939 177.300 0.291 0.000 1.200 594 P CA -0.031 63.138 63.100 0.114 0.000 0.772 594 P CB 0.468 32.114 31.700 -0.089 0.000 0.855 595 A N 5.189 128.124 122.820 0.192 0.000 2.555 595 A HA 0.107 4.430 4.320 0.006 0.000 0.233 595 A C -1.167 176.549 177.584 0.220 0.000 1.060 595 A CA -0.519 51.611 52.037 0.154 0.000 0.759 595 A CB -1.177 17.887 19.000 0.106 0.000 0.995 595 A HN 0.437 nan 8.150 nan 0.000 0.506 596 P HA -0.176 nan 4.420 nan 0.000 0.218 596 P C 0.378 177.716 177.300 0.063 0.000 1.146 596 P CA 1.814 64.834 63.100 -0.133 0.000 0.813 596 P CB 0.060 31.514 31.700 -0.409 0.000 0.778 597 D N -3.011 117.439 120.400 0.083 0.000 2.349 597 D HA 0.006 4.650 4.640 0.006 0.000 0.214 597 D C 0.455 176.835 176.300 0.133 0.000 1.063 597 D CA 0.342 54.400 54.000 0.097 0.000 0.847 597 D CB -0.220 40.616 40.800 0.060 0.000 0.933 597 D HN 0.010 nan 8.370 nan 0.000 0.513 598 K N 0.140 120.650 120.400 0.183 0.000 2.106 598 K HA 0.489 4.813 4.320 0.006 0.000 0.246 598 K C -0.135 176.564 176.600 0.165 0.000 0.987 598 K CA -0.385 55.988 56.287 0.144 0.000 0.904 598 K CB 1.269 33.831 32.500 0.102 0.000 1.071 598 K HN -0.078 nan 8.250 nan 0.000 0.453 599 T N 3.184 117.792 114.554 0.090 0.000 2.786 599 T HA 0.320 4.674 4.350 0.006 0.000 0.283 599 T C -2.585 172.122 174.700 0.012 0.000 0.992 599 T CA -1.776 60.365 62.100 0.068 0.000 0.954 599 T CB 1.518 70.441 68.868 0.091 0.000 0.934 599 T HN 0.237 nan 8.240 nan 0.000 0.440 600 P HA 0.154 nan 4.420 nan 0.000 0.265 600 P C 0.123 177.466 177.300 0.072 0.000 1.193 600 P CA 0.149 63.251 63.100 0.003 0.000 0.765 600 P CB 0.834 32.559 31.700 0.041 0.000 0.823 601 Q N 0.746 120.605 119.800 0.099 0.000 2.313 601 Q HA 0.183 4.526 4.340 0.006 0.000 0.263 601 Q C -0.263 175.817 176.000 0.134 0.000 0.820 601 Q CA 0.286 56.157 55.803 0.113 0.000 0.974 601 Q CB 0.929 29.737 28.738 0.117 0.000 1.156 601 Q HN 0.237 nan 8.270 nan 0.000 0.517 602 V N 1.128 121.133 119.914 0.152 0.000 2.531 602 V HA 0.380 4.504 4.120 0.006 0.000 0.301 602 V C -1.603 174.511 176.094 0.033 0.000 1.034 602 V CA -0.818 61.592 62.300 0.183 0.000 0.865 602 V CB 1.659 33.664 31.823 0.303 0.000 0.995 602 V HN 0.169 nan 8.190 nan 0.000 0.424 603 Y N 5.341 125.578 120.300 -0.106 0.000 2.346 603 Y HA 0.693 5.247 4.550 0.006 0.000 0.332 603 Y C -0.420 175.212 175.900 -0.447 0.000 0.985 603 Y CA -0.782 57.157 58.100 -0.269 0.000 1.112 603 Y CB 1.937 40.352 38.460 -0.075 0.000 1.170 603 Y HN 0.714 nan 8.280 nan 0.000 0.447 604 M N 7.878 126.877 119.600 -1.002 0.000 2.149 604 M HA 0.516 4.999 4.480 0.006 0.000 0.342 604 M C -2.035 173.790 176.300 -0.792 0.000 1.068 604 M CA -0.581 54.018 55.300 -1.168 0.000 0.991 604 M CB 0.643 32.659 32.600 -0.974 0.000 1.596 604 M HN 0.722 nan 8.290 nan 0.000 0.439 605 L N 6.392 127.313 121.223 -0.504 0.000 2.257 605 L HA 0.553 4.897 4.340 0.006 0.000 0.290 605 L C -1.173 175.609 176.870 -0.148 0.000 1.044 605 L CA -0.620 54.106 54.840 -0.190 0.000 0.810 605 L CB 1.303 43.370 42.059 0.013 0.000 1.193 605 L HN 0.644 nan 8.230 nan 0.000 0.425 606 L N 2.986 124.158 121.223 -0.084 0.000 2.528 606 L HA 0.388 4.732 4.340 0.006 0.000 0.267 606 L C 0.233 177.150 176.870 0.079 0.000 0.961 606 L CA 0.099 54.940 54.840 0.002 0.000 0.866 606 L CB 1.862 43.913 42.059 -0.012 0.000 1.248 606 L HN 0.525 nan 8.230 nan 0.000 0.404 607 S N 2.854 118.642 115.700 0.147 0.000 3.559 607 S HA -0.185 4.288 4.470 0.006 0.000 0.369 607 S C -0.108 174.642 174.600 0.250 0.000 0.987 607 S CA 1.289 59.645 58.200 0.261 0.000 1.187 607 S CB -1.373 61.985 63.200 0.263 0.000 0.914 607 S HN 0.851 nan 8.310 nan 0.000 0.480 608 Q N 0.312 120.214 119.800 0.169 0.000 2.479 608 Q HA 0.487 4.831 4.340 0.006 0.000 0.276 608 Q C -1.794 174.271 176.000 0.109 0.000 0.989 608 Q CA -0.573 55.311 55.803 0.135 0.000 0.864 608 Q CB 1.603 30.400 28.738 0.098 0.000 1.444 608 Q HN 0.255 nan 8.270 nan 0.000 0.388 609 N N 3.646 122.392 118.700 0.077 0.000 2.722 609 N HA 0.276 5.020 4.740 0.006 0.000 0.242 609 N C -2.210 173.291 175.510 -0.015 0.000 1.398 609 N CA -1.426 51.654 53.050 0.050 0.000 0.755 609 N CB 1.198 39.705 38.487 0.033 0.000 1.268 609 N HN 0.280 nan 8.380 nan 0.000 0.522 610 P HA -0.134 nan 4.420 nan 0.000 0.220 610 P C 1.540 178.634 177.300 -0.343 0.000 1.148 610 P CA 0.852 63.791 63.100 -0.268 0.000 0.803 610 P CB 0.267 31.683 31.700 -0.473 0.000 0.782 611 M N 0.029 119.524 119.600 -0.174 0.000 2.267 611 M HA -0.141 4.343 4.480 0.006 0.000 0.263 611 M C 2.148 178.382 176.300 -0.110 0.000 1.063 611 M CA 1.806 57.026 55.300 -0.132 0.000 1.090 611 M CB -1.095 31.513 32.600 0.014 0.000 1.392 611 M HN 0.138 nan 8.290 nan 0.000 0.422 612 R N -1.290 119.151 120.500 -0.098 0.000 2.250 612 R HA 0.160 4.504 4.340 0.006 0.000 0.194 612 R C 2.206 178.388 176.300 -0.196 0.000 0.927 612 R CA 0.028 56.065 56.100 -0.105 0.000 1.052 612 R CB -0.368 29.921 30.300 -0.018 0.000 1.055 612 R HN 0.147 nan 8.270 nan 0.000 0.537 613 R N 1.458 121.835 120.500 -0.205 0.000 2.062 613 R HA 0.052 4.396 4.340 0.006 0.000 0.229 613 R C -0.191 175.995 176.300 -0.190 0.000 1.128 613 R CA 0.994 56.967 56.100 -0.211 0.000 0.960 613 R CB 0.079 30.293 30.300 -0.142 0.000 0.855 613 R HN -0.057 nan 8.270 nan 0.000 0.432 614 K N 1.643 121.908 120.400 -0.225 0.000 2.412 614 K HA 0.037 4.360 4.320 0.006 0.000 0.281 614 K C -0.467 176.048 176.600 -0.143 0.000 1.027 614 K CA 0.184 56.351 56.287 -0.200 0.000 0.989 614 K CB 0.617 32.931 32.500 -0.311 0.000 0.935 614 K HN 0.002 nan 8.250 nan 0.000 0.475 615 R N 1.756 122.203 120.500 -0.089 0.000 2.449 615 R HA 0.049 4.392 4.340 0.006 0.000 0.296 615 R C 0.267 176.593 176.300 0.044 0.000 1.047 615 R CA 0.543 56.603 56.100 -0.066 0.000 1.018 615 R CB -0.224 30.043 30.300 -0.056 0.000 0.962 615 R HN 0.743 nan 8.270 nan 0.000 0.428 616 S N 1.000 116.681 115.700 -0.032 0.000 3.257 616 S HA -0.227 4.246 4.470 0.006 0.000 0.300 616 S C 1.505 176.132 174.600 0.046 0.000 1.275 616 S CA 1.286 59.497 58.200 0.019 0.000 1.023 616 S CB -1.175 61.937 63.200 -0.146 0.000 1.180 616 S HN 0.943 nan 8.310 nan 0.000 0.660 617 G N 0.897 109.702 108.800 0.008 0.000 2.450 617 G HA2 0.019 3.983 3.960 0.006 0.000 0.220 617 G HA3 0.019 3.983 3.960 0.006 0.000 0.220 617 G C 1.447 176.258 174.900 -0.149 0.000 1.130 617 G CA 1.060 46.099 45.100 -0.101 0.000 0.760 617 G HN 0.972 nan 8.290 nan 0.000 0.557 618 A N 0.233 122.981 122.820 -0.120 0.000 2.076 618 A HA 0.016 4.340 4.320 0.006 0.000 0.220 618 A C 2.159 179.695 177.584 -0.079 0.000 1.160 618 A CA 2.326 54.306 52.037 -0.094 0.000 0.653 618 A CB -0.222 18.751 19.000 -0.045 0.000 0.801 618 A HN 0.398 nan 8.150 nan 0.000 0.455 619 K N -1.504 118.870 120.400 -0.044 0.000 2.190 619 K HA 0.180 4.503 4.320 0.006 0.000 0.202 619 K C 1.770 178.303 176.600 -0.111 0.000 1.045 619 K CA 0.948 57.199 56.287 -0.061 0.000 0.976 619 K CB -0.202 32.300 32.500 0.002 0.000 0.849 619 K HN 0.222 nan 8.250 nan 0.000 0.468 620 M N -0.076 119.459 119.600 -0.107 0.000 2.288 620 M HA 0.069 4.553 4.480 0.006 0.000 0.266 620 M C 1.656 177.836 176.300 -0.200 0.000 1.072 620 M CA 1.124 56.291 55.300 -0.222 0.000 1.132 620 M CB -0.817 31.484 32.600 -0.498 0.000 1.386 620 M HN 0.014 nan 8.290 nan 0.000 0.432 621 F N 0.914 120.582 119.950 -0.471 0.000 2.031 621 F HA -0.072 4.458 4.527 0.006 0.000 0.295 621 F C -0.271 174.847 175.800 -1.138 0.000 1.133 621 F CA 1.328 58.828 58.000 -0.833 0.000 1.188 621 F CB -2.509 35.939 39.000 -0.921 0.000 0.974 621 F HN 0.124 nan 8.300 nan 0.000 0.473 622 P HA -0.119 nan 4.420 nan 0.000 0.215 622 P C 0.969 178.152 177.300 -0.194 0.000 1.153 622 P CA 1.808 64.680 63.100 -0.379 0.000 0.853 622 P CB 0.014 31.610 31.700 -0.172 0.000 0.788 623 D N -1.862 118.416 120.400 -0.204 0.000 2.194 623 D HA -0.039 4.604 4.640 0.006 0.000 0.204 623 D C 1.741 177.952 176.300 -0.149 0.000 0.964 623 D CA 0.917 54.832 54.000 -0.142 0.000 0.846 623 D CB -0.088 40.628 40.800 -0.140 0.000 0.962 623 D HN 0.041 nan 8.370 nan 0.000 0.490 624 V N -0.321 119.465 119.914 -0.214 0.000 2.996 624 V HA 0.071 4.194 4.120 0.006 0.000 0.235 624 V C 1.758 177.736 176.094 -0.193 0.000 1.205 624 V CA 0.091 62.272 62.300 -0.198 0.000 1.225 624 V CB 0.078 31.754 31.823 -0.245 0.000 0.995 624 V HN 0.048 nan 8.190 nan 0.000 0.484 625 L N -0.311 120.720 121.223 -0.321 0.000 2.034 625 L HA 0.104 4.448 4.340 0.006 0.000 0.203 625 L C 2.299 179.144 176.870 -0.042 0.000 1.074 625 L CA 2.061 56.736 54.840 -0.275 0.000 0.748 625 L CB -0.798 40.881 42.059 -0.633 0.000 0.905 625 L HN 0.206 nan 8.230 nan 0.000 0.439 626 F N 0.631 120.466 119.950 -0.190 0.000 2.115 626 F HA -0.151 4.379 4.527 0.006 0.000 0.300 626 F C -0.127 175.639 175.800 -0.057 0.000 1.092 626 F CA 1.366 59.299 58.000 -0.112 0.000 1.245 626 F CB -2.814 36.145 39.000 -0.069 0.000 0.995 626 F HN 0.215 nan 8.300 nan 0.000 0.481 627 P HA -0.167 nan 4.420 nan 0.000 0.221 627 P C 1.173 178.506 177.300 0.055 0.000 1.145 627 P CA 1.831 64.974 63.100 0.071 0.000 0.795 627 P CB -0.122 31.596 31.700 0.030 0.000 0.775 628 K N -1.503 118.931 120.400 0.056 0.000 2.361 628 K HA 0.113 4.437 4.320 0.006 0.000 0.196 628 K C 0.544 177.184 176.600 0.068 0.000 1.039 628 K CA 0.107 56.428 56.287 0.057 0.000 1.001 628 K CB 0.007 32.543 32.500 0.060 0.000 0.795 628 K HN 0.160 nan 8.250 nan 0.000 0.495 629 L N 1.937 123.206 121.223 0.077 0.000 2.319 629 L HA 0.117 4.460 4.340 0.006 0.000 0.280 629 L C 1.160 178.067 176.870 0.062 0.000 1.099 629 L CA -0.368 54.519 54.840 0.079 0.000 0.828 629 L CB 0.891 42.996 42.059 0.077 0.000 1.150 629 L HN -0.031 nan 8.230 nan 0.000 0.442 630 K N 2.597 123.038 120.400 0.068 0.000 2.186 630 K HA 0.100 4.424 4.320 0.006 0.000 0.202 630 K C 0.136 176.772 176.600 0.059 0.000 1.052 630 K CA 0.856 57.175 56.287 0.054 0.000 0.965 630 K CB 0.161 32.693 32.500 0.053 0.000 0.746 630 K HN 0.471 nan 8.250 nan 0.000 0.457 631 M N 0.573 120.230 119.600 0.095 0.000 2.271 631 M HA 0.382 4.866 4.480 0.006 0.000 0.285 631 M C -1.943 174.476 176.300 0.198 0.000 1.059 631 M CA -0.382 54.999 55.300 0.135 0.000 0.940 631 M CB 1.606 34.294 32.600 0.147 0.000 1.636 631 M HN -0.087 nan 8.290 nan 0.000 0.460 632 I N 6.693 127.366 120.570 0.171 0.000 2.418 632 I HA 0.570 4.744 4.170 0.006 0.000 0.287 632 I C -1.315 174.962 176.117 0.267 0.000 1.008 632 I CA -0.673 60.732 61.300 0.176 0.000 1.104 632 I CB 1.093 39.079 38.000 -0.023 0.000 1.264 632 I HN 0.747 nan 8.210 nan 0.000 0.438 633 F N 4.742 124.750 119.950 0.097 0.000 2.576 633 F HA 0.958 5.489 4.527 0.006 0.000 0.313 633 F C -0.743 175.097 175.800 0.066 0.000 1.078 633 F CA -1.138 56.901 58.000 0.065 0.000 0.921 633 F CB 1.435 40.458 39.000 0.037 0.000 1.232 633 F HN 0.374 nan 8.300 nan 0.000 0.459 634 A N 3.234 126.114 122.820 0.100 0.000 2.355 634 A HA 0.801 5.124 4.320 0.006 0.000 0.317 634 A C -1.771 175.845 177.584 0.053 0.000 1.094 634 A CA -0.740 51.299 52.037 0.002 0.000 0.764 634 A CB 1.336 20.348 19.000 0.020 0.000 1.230 634 A HN 0.782 nan 8.150 nan 0.000 0.448 635 L N 2.652 123.896 121.223 0.035 0.000 2.297 635 L HA 0.489 4.832 4.340 0.006 0.000 0.277 635 L C -0.016 176.861 176.870 0.013 0.000 1.040 635 L CA 0.410 55.294 54.840 0.074 0.000 0.867 635 L CB 0.770 42.907 42.059 0.129 0.000 1.244 635 L HN 0.638 nan 8.230 nan 0.000 0.433 636 E N 0.159 120.330 120.200 -0.047 0.000 2.343 636 E HA 0.426 4.780 4.350 0.006 0.000 0.270 636 E C 0.442 176.895 176.600 -0.246 0.000 0.895 636 E CA -0.064 56.255 56.400 -0.135 0.000 0.767 636 E CB 2.250 31.868 29.700 -0.136 0.000 1.248 636 E HN 0.498 nan 8.360 nan 0.000 0.440 637 T N -0.954 113.328 114.554 -0.452 0.000 3.057 637 T HA 0.209 4.562 4.350 0.006 0.000 0.254 637 T C 0.882 175.149 174.700 -0.721 0.000 1.094 637 T CA 0.151 61.797 62.100 -0.758 0.000 1.088 637 T CB 0.849 68.719 68.868 -1.663 0.000 0.934 637 T HN 0.241 nan 8.240 nan 0.000 0.497 638 R N -0.019 120.178 120.500 -0.505 0.000 2.725 638 R HA 0.568 4.912 4.340 0.006 0.000 0.277 638 R C -1.393 174.814 176.300 -0.154 0.000 0.987 638 R CA -1.041 54.861 56.100 -0.329 0.000 0.901 638 R CB 1.617 31.737 30.300 -0.299 0.000 1.207 638 R HN 0.144 nan 8.270 nan 0.000 0.463 639 M N 3.843 123.401 119.600 -0.069 0.000 3.011 639 M HA 0.139 4.622 4.480 0.006 0.000 0.292 639 M C -0.599 175.779 176.300 0.130 0.000 1.440 639 M CA 0.049 55.350 55.300 0.002 0.000 1.552 639 M CB -0.165 32.446 32.600 0.019 0.000 1.187 639 M HN 0.533 nan 8.290 nan 0.000 0.520 640 S N 1.537 117.260 115.700 0.040 0.000 2.600 640 S HA 0.217 4.690 4.470 0.006 0.000 0.265 640 S C 1.294 175.737 174.600 -0.261 0.000 1.325 640 S CA -0.122 58.061 58.200 -0.028 0.000 1.002 640 S CB 0.643 63.842 63.200 -0.003 0.000 0.921 640 S HN 0.786 nan 8.310 nan 0.000 0.554 641 S N 1.562 116.842 115.700 -0.700 0.000 2.383 641 S HA -0.141 4.332 4.470 0.006 0.000 0.229 641 S C 1.784 176.428 174.600 0.073 0.000 1.030 641 S CA 1.316 59.089 58.200 -0.712 0.000 1.002 641 S CB -1.224 61.623 63.200 -0.588 0.000 0.829 641 S HN 0.701 nan 8.310 nan 0.000 0.467 642 S N 2.406 118.177 115.700 0.118 0.000 2.387 642 S HA 0.234 4.707 4.470 0.006 0.000 0.226 642 S C 2.318 177.118 174.600 0.333 0.000 1.026 642 S CA 0.770 59.149 58.200 0.299 0.000 0.972 642 S CB -0.765 62.562 63.200 0.212 0.000 0.814 642 S HN 0.780 nan 8.310 nan 0.000 0.477 643 A N 2.001 124.944 122.820 0.205 0.000 2.024 643 A HA -0.059 4.264 4.320 0.006 0.000 0.220 643 A C 2.011 179.801 177.584 0.343 0.000 1.164 643 A CA 1.194 53.346 52.037 0.192 0.000 0.643 643 A CB -0.566 18.467 19.000 0.055 0.000 0.806 643 A HN 0.351 nan 8.150 nan 0.000 0.451 644 M N -1.663 118.164 119.600 0.378 0.000 2.358 644 M HA -0.116 4.367 4.480 0.006 0.000 0.264 644 M C 0.956 177.370 176.300 0.189 0.000 1.064 644 M CA 1.244 56.821 55.300 0.462 0.000 1.093 644 M CB -1.024 31.868 32.600 0.486 0.000 1.401 644 M HN 0.609 nan 8.290 nan 0.000 0.440 645 Y N -0.655 119.800 120.300 0.259 0.000 2.458 645 Y HA 0.424 4.977 4.550 0.005 0.000 0.256 645 Y C 1.344 177.199 175.900 -0.074 0.000 1.159 645 Y CA -0.472 57.654 58.100 0.044 0.000 1.261 645 Y CB -0.286 38.168 38.460 -0.010 0.000 1.119 645 Y HN 0.057 nan 8.280 nan 0.000 0.524 646 A N 0.179 123.146 122.820 0.245 0.000 2.332 646 A HA 0.135 4.459 4.320 0.006 0.000 0.258 646 A C 0.828 178.546 177.584 0.224 0.000 1.087 646 A CA -0.132 52.028 52.037 0.205 0.000 0.802 646 A CB 0.343 19.500 19.000 0.262 0.000 1.042 646 A HN 0.304 nan 8.150 nan 0.000 0.489 647 D N -0.491 120.008 120.400 0.165 0.000 2.240 647 D HA 0.105 4.749 4.640 0.006 0.000 0.206 647 D C 0.096 176.539 176.300 0.238 0.000 0.963 647 D CA 1.192 55.280 54.000 0.146 0.000 0.863 647 D CB 0.228 41.080 40.800 0.086 0.000 0.973 647 D HN 0.289 nan 8.370 nan 0.000 0.501 648 I N 1.305 122.019 120.570 0.239 0.000 2.607 648 I HA 0.219 4.393 4.170 0.006 0.000 0.290 648 I C -0.693 175.490 176.117 0.109 0.000 1.129 648 I CA -0.731 60.665 61.300 0.160 0.000 1.042 648 I CB 2.436 40.489 38.000 0.088 0.000 1.242 648 I HN -0.378 nan 8.210 nan 0.000 0.421 649 V N 6.654 126.535 119.914 -0.056 0.000 2.487 649 V HA 0.496 4.619 4.120 0.006 0.000 0.298 649 V C -0.082 175.870 176.094 -0.237 0.000 1.028 649 V CA -0.591 61.615 62.300 -0.158 0.000 0.860 649 V CB 2.388 33.994 31.823 -0.361 0.000 0.991 649 V HN 0.423 nan 8.190 nan 0.000 0.427 650 L N 7.571 128.678 121.223 -0.194 0.000 2.287 650 L HA 0.511 4.854 4.340 0.006 0.000 0.287 650 L C -2.333 174.429 176.870 -0.180 0.000 1.022 650 L CA -1.706 52.917 54.840 -0.362 0.000 0.814 650 L CB 2.359 44.304 42.059 -0.190 0.000 1.217 650 L HN 0.406 nan 8.230 nan 0.000 0.420 651 P HA 0.194 nan 4.420 nan 0.000 0.280 651 P C -0.966 176.419 177.300 0.142 0.000 1.244 651 P CA -0.400 62.671 63.100 -0.048 0.000 0.784 651 P CB 1.368 33.012 31.700 -0.093 0.000 0.913 652 C N 2.252 121.565 119.300 0.022 0.000 2.562 652 C HA 0.742 5.206 4.460 0.006 0.000 0.332 652 C C 0.817 175.811 174.990 0.006 0.000 1.201 652 C CA -0.442 58.614 59.018 0.063 0.000 1.803 652 C CB 1.548 29.316 27.740 0.047 0.000 2.328 652 C HN 0.666 nan 8.230 nan 0.000 0.500 653 A N 1.421 124.292 122.820 0.085 0.000 2.425 653 A HA 0.465 4.789 4.320 0.006 0.000 0.249 653 A C -0.464 177.222 177.584 0.169 0.000 1.084 653 A CA 0.142 52.251 52.037 0.119 0.000 0.781 653 A CB 0.282 19.370 19.000 0.147 0.000 1.019 653 A HN 0.828 nan 8.150 nan 0.000 0.490 654 W N 0.726 122.025 121.300 -0.001 0.000 2.879 654 W HA 0.561 5.225 4.660 0.005 0.000 0.491 654 W C -0.648 175.883 176.519 0.019 0.000 1.615 654 W CA -1.516 55.773 57.345 -0.093 0.000 1.532 654 W CB 0.013 29.359 29.460 -0.190 0.000 2.340 654 W HN 0.611 nan 8.180 nan 0.000 0.706 655 Y N 1.851 122.281 120.300 0.216 0.000 2.497 655 Y HA 0.079 4.632 4.550 0.006 0.000 0.334 655 Y C 0.349 176.194 175.900 -0.093 0.000 1.199 655 Y CA -0.415 57.593 58.100 -0.153 0.000 1.425 655 Y CB -0.800 37.219 38.460 -0.735 0.000 1.291 655 Y HN 0.346 nan 8.280 nan 0.000 0.562 656 Y N -1.486 118.919 120.300 0.174 0.000 4.884 656 Y HA -0.275 4.279 4.550 0.006 0.000 0.276 656 Y C 0.891 176.834 175.900 0.071 0.000 0.915 656 Y CA 0.409 58.562 58.100 0.088 0.000 1.768 656 Y CB -1.894 36.647 38.460 0.135 0.000 1.172 656 Y HN 0.718 nan 8.280 nan 0.000 0.470 657 E N 0.960 121.305 120.200 0.243 0.000 2.538 657 E HA 0.185 4.538 4.350 0.006 0.000 0.207 657 E C 0.436 177.105 176.600 0.115 0.000 1.002 657 E CA 0.256 56.756 56.400 0.168 0.000 0.952 657 E CB 0.575 30.384 29.700 0.180 0.000 1.031 657 E HN 0.498 nan 8.360 nan 0.000 0.476 658 K N -0.109 120.348 120.400 0.095 0.000 2.557 658 K HA 0.328 4.652 4.320 0.006 0.000 0.261 658 K C -1.309 175.318 176.600 0.046 0.000 0.932 658 K CA -0.833 55.507 56.287 0.089 0.000 0.829 658 K CB 0.992 33.606 32.500 0.191 0.000 1.358 658 K HN -0.140 nan 8.250 nan 0.000 0.430 659 H N 1.007 120.166 119.070 0.149 0.000 2.848 659 H HA 0.285 4.845 4.556 0.006 0.000 0.341 659 H C -0.266 175.166 175.328 0.173 0.000 1.060 659 H CA 0.570 56.709 56.048 0.152 0.000 1.444 659 H CB 0.771 30.688 29.762 0.258 0.000 1.446 659 H HN 0.479 nan 8.280 nan 0.000 0.583 660 E N 1.117 121.476 120.200 0.266 0.000 2.449 660 E HA 0.336 4.689 4.350 0.006 0.000 0.278 660 E C -1.141 175.673 176.600 0.357 0.000 1.059 660 E CA -0.948 55.621 56.400 0.282 0.000 0.854 660 E CB 2.822 32.648 29.700 0.209 0.000 1.465 660 E HN 0.516 nan 8.360 nan 0.000 0.462 661 M N 0.994 120.823 119.600 0.382 0.000 2.446 661 M HA 0.328 4.812 4.480 0.006 0.000 0.294 661 M C -0.335 176.181 176.300 0.359 0.000 1.158 661 M CA -0.403 55.204 55.300 0.510 0.000 0.899 661 M CB 1.924 34.907 32.600 0.638 0.000 1.687 661 M HN 0.595 nan 8.290 nan 0.000 0.455 662 T N 0.006 114.749 114.554 0.314 0.000 2.748 662 T HA 0.365 4.719 4.350 0.006 0.000 0.304 662 T C 0.254 174.993 174.700 0.065 0.000 1.041 662 T CA -0.139 62.042 62.100 0.135 0.000 1.033 662 T CB 0.447 69.354 68.868 0.066 0.000 0.995 662 T HN 0.749 nan 8.240 nan 0.000 0.536 663 T N -0.581 113.929 114.554 -0.074 0.000 3.250 663 T HA 0.482 4.836 4.350 0.006 0.000 0.391 663 T C -2.673 171.833 174.700 -0.323 0.000 1.502 663 T CA -1.546 60.449 62.100 -0.175 0.000 1.320 663 T CB 0.556 69.387 68.868 -0.063 0.000 1.102 663 T HN 0.558 nan 8.240 nan 0.000 0.610 664 P HA 0.474 nan 4.420 nan 0.000 0.276 664 P C 0.185 177.255 177.300 -0.383 0.000 1.252 664 P CA -0.430 62.373 63.100 -0.497 0.000 0.802 664 P CB 0.984 32.375 31.700 -0.516 0.000 1.035 665 C N -1.392 117.683 119.300 -0.375 0.000 3.082 665 C HA 0.531 4.995 4.460 0.006 0.000 0.384 665 C C 2.376 177.404 174.990 0.064 0.000 1.832 665 C CA 0.281 59.237 59.018 -0.104 0.000 1.605 665 C CB 0.437 28.085 27.740 -0.152 0.000 2.303 665 C HN 0.638 nan 8.230 nan 0.000 0.473 666 S N 0.856 116.653 115.700 0.162 0.000 2.402 666 S HA -0.056 4.417 4.470 0.006 0.000 0.233 666 S C 1.760 176.353 174.600 -0.012 0.000 1.030 666 S CA 1.966 60.249 58.200 0.139 0.000 1.003 666 S CB -1.513 61.766 63.200 0.132 0.000 0.813 666 S HN 1.507 nan 8.310 nan 0.000 0.477 667 G N 2.182 110.932 108.800 -0.084 0.000 2.459 667 G HA2 -0.115 3.849 3.960 0.006 0.000 0.217 667 G HA3 -0.115 3.849 3.960 0.006 0.000 0.217 667 G C 0.511 175.419 174.900 0.014 0.000 1.183 667 G CA 0.750 45.830 45.100 -0.034 0.000 0.776 667 G HN 0.580 nan 8.290 nan 0.000 0.552 668 N N 0.826 119.371 118.700 -0.259 0.000 2.851 668 N HA 0.325 5.068 4.740 0.006 0.000 0.248 668 N C -2.737 171.978 175.510 -1.326 0.000 1.221 668 N CA -1.544 51.105 53.050 -0.669 0.000 0.847 668 N CB 2.157 40.321 38.487 -0.538 0.000 1.150 668 N HN 0.124 nan 8.380 nan 0.000 0.507 669 P HA 0.201 nan 4.420 nan 0.000 0.214 669 P C -1.278 175.454 177.300 -0.947 0.000 1.826 669 P CA -0.273 62.212 63.100 -1.025 0.000 0.977 669 P CB -0.908 30.163 31.700 -1.048 0.000 1.930 670 F N -1.494 118.290 119.950 -0.277 0.000 2.596 670 F HA 0.553 5.083 4.527 0.006 0.000 0.311 670 F C -0.735 175.102 175.800 0.062 0.000 1.116 670 F CA -1.860 56.094 58.000 -0.077 0.000 0.957 670 F CB 0.611 39.503 39.000 -0.179 0.000 1.250 670 F HN -0.270 nan 8.300 nan 0.000 0.444 671 F N 0.762 120.948 119.950 0.394 0.000 2.379 671 F HA 0.681 5.211 4.527 0.006 0.000 0.332 671 F C 0.503 176.605 175.800 0.504 0.000 1.096 671 F CA -0.215 58.043 58.000 0.429 0.000 1.105 671 F CB 2.021 41.334 39.000 0.522 0.000 1.189 671 F HN 0.507 nan 8.300 nan 0.000 0.515 672 T N 3.756 118.683 114.554 0.622 0.000 2.861 672 T HA 0.298 4.652 4.350 0.006 0.000 0.287 672 T C -1.201 173.720 174.700 0.369 0.000 1.003 672 T CA -0.477 61.839 62.100 0.359 0.000 0.977 672 T CB 1.005 69.969 68.868 0.160 0.000 0.996 672 T HN 0.285 nan 8.240 nan 0.000 0.448 673 F N 3.783 123.589 119.950 -0.240 0.000 2.412 673 F HA 0.566 5.097 4.527 0.006 0.000 0.348 673 F C -0.576 175.205 175.800 -0.032 0.000 1.102 673 F CA -0.791 57.015 58.000 -0.324 0.000 1.196 673 F CB 0.565 39.030 39.000 -0.892 0.000 1.144 673 F HN 0.228 nan 8.300 nan 0.000 0.541 674 V N 6.267 125.829 119.914 -0.586 0.000 2.376 674 V HA 0.210 4.334 4.120 0.006 0.000 0.287 674 V C -0.324 175.235 176.094 -0.892 0.000 1.015 674 V CA -0.911 61.087 62.300 -0.503 0.000 0.834 674 V CB 1.122 32.871 31.823 -0.123 0.000 1.001 674 V HN 0.677 nan 8.190 nan 0.000 0.428 675 D N 2.966 122.867 120.400 -0.831 0.000 2.354 675 D HA 0.181 4.825 4.640 0.006 0.000 0.247 675 D C 0.408 176.518 176.300 -0.317 0.000 1.138 675 D CA -0.471 53.189 54.000 -0.566 0.000 0.958 675 D CB 1.084 41.787 40.800 -0.162 0.000 1.144 675 D HN 0.448 nan 8.370 nan 0.000 0.458 676 R N 1.587 121.814 120.500 -0.455 0.000 2.429 676 R HA 0.143 4.486 4.340 0.006 0.000 0.302 676 R C 0.546 176.797 176.300 -0.083 0.000 1.268 676 R CA -0.109 55.808 56.100 -0.304 0.000 1.090 676 R CB -0.084 29.897 30.300 -0.532 0.000 1.102 676 R HN 0.244 nan 8.270 nan 0.000 0.522 677 S N 1.826 117.523 115.700 -0.004 0.000 2.387 677 S HA -0.045 4.428 4.470 0.006 0.000 0.226 677 S C 0.657 175.303 174.600 0.077 0.000 1.026 677 S CA 0.787 59.004 58.200 0.027 0.000 0.972 677 S CB 0.153 63.360 63.200 0.011 0.000 0.814 677 S HN 0.567 nan 8.310 nan 0.000 0.477 678 V N -2.283 117.699 119.914 0.112 0.000 3.114 678 V HA 0.919 5.042 4.120 0.006 0.000 0.308 678 V C -0.522 175.644 176.094 0.120 0.000 1.168 678 V CA -1.636 60.744 62.300 0.134 0.000 1.015 678 V CB 1.262 33.202 31.823 0.196 0.000 1.050 678 V HN 0.131 nan 8.190 nan 0.000 0.433 679 A N 3.020 125.908 122.820 0.114 0.000 2.445 679 A HA 0.705 5.029 4.320 0.006 0.000 0.242 679 A C -2.174 175.475 177.584 0.109 0.000 1.075 679 A CA -0.918 51.181 52.037 0.103 0.000 0.777 679 A CB -0.689 18.367 19.000 0.095 0.000 1.013 679 A HN 0.846 nan 8.150 nan 0.000 0.493 680 P HA 0.241 nan 4.420 nan 0.000 0.269 680 P C -2.399 174.941 177.300 0.066 0.000 1.215 680 P CA -0.751 62.400 63.100 0.085 0.000 0.780 680 P CB -0.126 31.621 31.700 0.079 0.000 0.898 681 P HA 0.204 nan 4.420 nan 0.000 0.278 681 P C 0.684 177.948 177.300 -0.061 0.000 1.266 681 P CA 0.137 63.252 63.100 0.026 0.000 0.807 681 P CB 0.462 32.179 31.700 0.029 0.000 1.094 682 G N 1.789 110.540 108.800 -0.080 0.000 2.622 682 G HA2 -0.309 3.655 3.960 0.006 0.000 0.307 682 G HA3 -0.309 3.655 3.960 0.006 0.000 0.307 682 G C 0.133 174.925 174.900 -0.180 0.000 1.226 682 G CA 0.471 45.385 45.100 -0.310 0.000 0.997 682 G HN 0.628 nan 8.290 nan 0.000 0.551 683 E N -0.276 119.747 120.200 -0.295 0.000 2.736 683 E HA 0.340 4.693 4.350 0.006 0.000 0.208 683 E C 0.000 176.746 176.600 0.244 0.000 0.996 683 E CA -0.497 55.968 56.400 0.107 0.000 1.104 683 E CB 0.311 30.221 29.700 0.350 0.000 1.111 683 E HN 0.509 nan 8.360 nan 0.000 0.455 684 C N 1.875 121.215 119.300 0.066 0.000 2.634 684 C HA 0.142 4.605 4.460 0.006 0.000 0.418 684 C C 0.874 175.942 174.990 0.129 0.000 1.373 684 C CA 0.058 59.146 59.018 0.117 0.000 1.756 684 C CB -0.769 26.987 27.740 0.028 0.000 2.589 684 C HN 0.390 nan 8.230 nan 0.000 0.602 685 R N 1.718 122.321 120.500 0.172 0.000 2.832 685 R HA 0.385 4.728 4.340 0.006 0.000 0.271 685 R C -0.315 176.043 176.300 0.098 0.000 0.996 685 R CA -0.704 55.407 56.100 0.017 0.000 0.977 685 R CB 1.472 31.594 30.300 -0.297 0.000 1.168 685 R HN 0.721 nan 8.270 nan 0.000 0.482 686 E N 1.081 121.342 120.200 0.102 0.000 2.398 686 E HA -0.062 4.291 4.350 0.006 0.000 0.263 686 E C 0.221 176.944 176.600 0.205 0.000 1.046 686 E CA -0.019 56.489 56.400 0.180 0.000 0.908 686 E CB 0.730 30.559 29.700 0.215 0.000 0.963 686 E HN 0.445 nan 8.360 nan 0.000 0.431 687 E N 1.741 122.095 120.200 0.257 0.000 2.106 687 E HA -0.170 4.183 4.350 0.006 0.000 0.192 687 E C 1.326 178.101 176.600 0.292 0.000 0.984 687 E CA 0.853 57.407 56.400 0.257 0.000 0.806 687 E CB -0.070 29.788 29.700 0.263 0.000 0.750 687 E HN 0.636 nan 8.360 nan 0.000 0.458 688 W N 1.944 123.367 121.300 0.205 0.000 2.335 688 W HA -0.260 4.404 4.660 0.006 0.000 0.311 688 W C 1.623 178.283 176.519 0.235 0.000 1.213 688 W CA 2.187 59.700 57.345 0.281 0.000 1.274 688 W CB -0.394 29.213 29.460 0.244 0.000 1.148 688 W HN 0.151 nan 8.180 nan 0.000 0.498 689 D N 0.059 120.690 120.400 0.385 0.000 2.097 689 D HA -0.153 4.490 4.640 0.006 0.000 0.195 689 D C 2.326 178.623 176.300 -0.005 0.000 0.989 689 D CA 2.518 56.634 54.000 0.193 0.000 0.827 689 D CB -0.568 40.299 40.800 0.110 0.000 0.966 689 D HN 0.031 nan 8.370 nan 0.000 0.456 690 A N 0.242 123.041 122.820 -0.035 0.000 1.892 690 A HA -0.171 4.153 4.320 0.006 0.000 0.218 690 A C 2.501 180.084 177.584 -0.001 0.000 1.188 690 A CA 1.683 53.701 52.037 -0.032 0.000 0.631 690 A CB -0.947 18.175 19.000 0.204 0.000 0.822 690 A HN 0.413 nan 8.150 nan 0.000 0.447 691 I N -0.497 120.029 120.570 -0.073 0.000 2.353 691 I HA -0.213 3.960 4.170 0.006 0.000 0.248 691 I C 2.935 178.728 176.117 -0.540 0.000 1.119 691 I CA 0.836 61.961 61.300 -0.292 0.000 1.417 691 I CB -0.287 37.480 38.000 -0.388 0.000 1.078 691 I HN 0.357 nan 8.210 nan 0.000 0.421 692 A N 0.770 123.310 122.820 -0.466 0.000 1.908 692 A HA -0.238 4.085 4.320 0.006 0.000 0.218 692 A C 2.249 179.834 177.584 0.002 0.000 1.181 692 A CA 1.701 53.591 52.037 -0.245 0.000 0.627 692 A CB -0.818 18.262 19.000 0.133 0.000 0.818 692 A HN 0.382 nan 8.150 nan 0.000 0.445 693 L N -0.020 121.178 121.223 -0.042 0.000 2.056 693 L HA -0.081 4.262 4.340 0.006 0.000 0.207 693 L C 2.229 179.045 176.870 -0.090 0.000 1.078 693 L CA 1.629 56.431 54.840 -0.063 0.000 0.749 693 L CB -0.541 41.472 42.059 -0.077 0.000 0.901 693 L HN 0.446 nan 8.230 nan 0.000 0.433 694 I N -0.897 119.613 120.570 -0.099 0.000 2.118 694 I HA -0.372 3.801 4.170 0.006 0.000 0.241 694 I C 2.409 178.415 176.117 -0.184 0.000 1.070 694 I CA 1.636 62.847 61.300 -0.149 0.000 1.327 694 I CB -0.403 37.492 38.000 -0.176 0.000 1.034 694 I HN 0.264 nan 8.210 nan 0.000 0.405 695 L N 0.398 121.499 121.223 -0.203 0.000 2.083 695 L HA -0.234 4.109 4.340 0.006 0.000 0.209 695 L C 2.635 179.473 176.870 -0.052 0.000 1.083 695 L CA 1.353 56.105 54.840 -0.145 0.000 0.752 695 L CB -0.627 41.314 42.059 -0.196 0.000 0.899 695 L HN 0.268 nan 8.230 nan 0.000 0.433 696 K N 0.331 120.672 120.400 -0.099 0.000 2.026 696 K HA -0.190 4.134 4.320 0.006 0.000 0.208 696 K C 2.215 178.689 176.600 -0.209 0.000 1.048 696 K CA 1.194 57.282 56.287 -0.331 0.000 0.929 696 K CB 0.133 32.221 32.500 -0.688 0.000 0.713 696 K HN 0.081 nan 8.250 nan 0.000 0.439 697 K N 0.616 120.910 120.400 -0.176 0.000 2.097 697 K HA -0.100 4.224 4.320 0.006 0.000 0.206 697 K C 2.146 178.651 176.600 -0.158 0.000 1.049 697 K CA 0.965 57.162 56.287 -0.150 0.000 0.933 697 K CB -0.403 32.018 32.500 -0.133 0.000 0.717 697 K HN 0.065 nan 8.250 nan 0.000 0.442 698 V N 0.926 120.741 119.914 -0.165 0.000 2.287 698 V HA -0.232 3.891 4.120 0.006 0.000 0.248 698 V C 2.489 178.503 176.094 -0.133 0.000 1.053 698 V CA 2.287 64.480 62.300 -0.180 0.000 1.027 698 V CB -1.106 30.617 31.823 -0.167 0.000 0.646 698 V HN 0.439 nan 8.190 nan 0.000 0.447 699 G N -0.820 107.950 108.800 -0.051 0.000 2.459 699 G HA2 -0.249 3.715 3.960 0.006 0.000 0.217 699 G HA3 -0.249 3.715 3.960 0.006 0.000 0.217 699 G C 1.479 176.344 174.900 -0.058 0.000 1.183 699 G CA 0.980 46.080 45.100 -0.000 0.000 0.776 699 G HN 0.573 nan 8.290 nan 0.000 0.552 700 E N -0.094 120.049 120.200 -0.094 0.000 2.047 700 E HA -0.079 4.275 4.350 0.006 0.000 0.191 700 E C 2.880 179.418 176.600 -0.104 0.000 0.987 700 E CA 0.504 56.849 56.400 -0.092 0.000 0.799 700 E CB -0.022 29.615 29.700 -0.105 0.000 0.752 700 E HN 0.121 nan 8.360 nan 0.000 0.449 701 R N 0.433 120.852 120.500 -0.136 0.000 2.075 701 R HA -0.034 4.310 4.340 0.006 0.000 0.232 701 R C 2.225 178.410 176.300 -0.191 0.000 1.126 701 R CA 1.145 57.153 56.100 -0.154 0.000 0.963 701 R CB -0.852 29.343 30.300 -0.175 0.000 0.858 701 R HN 0.156 nan 8.270 nan 0.000 0.435 702 A N 1.380 124.041 122.820 -0.264 0.000 1.908 702 A HA -0.100 4.224 4.320 0.006 0.000 0.218 702 A C 2.419 179.910 177.584 -0.156 0.000 1.181 702 A CA 1.993 53.823 52.037 -0.346 0.000 0.627 702 A CB -0.641 18.026 19.000 -0.554 0.000 0.818 702 A HN 0.345 nan 8.150 nan 0.000 0.445 703 A N -0.168 122.598 122.820 -0.090 0.000 1.877 703 A HA 0.155 4.478 4.320 0.006 0.000 0.216 703 A C 2.520 180.077 177.584 -0.044 0.000 1.186 703 A CA 2.167 54.181 52.037 -0.039 0.000 0.620 703 A CB -1.098 17.889 19.000 -0.023 0.000 0.822 703 A HN 1.138 nan 8.150 nan 0.000 0.443 704 A N -0.384 122.400 122.820 -0.060 0.000 1.972 704 A HA -0.149 4.174 4.320 0.006 0.000 0.219 704 A C 2.143 179.696 177.584 -0.052 0.000 1.169 704 A CA 1.508 53.514 52.037 -0.052 0.000 0.635 704 A CB -0.391 18.573 19.000 -0.059 0.000 0.810 704 A HN 0.545 nan 8.150 nan 0.000 0.446 705 R N -1.372 119.085 120.500 -0.071 0.000 2.310 705 R HA 0.205 4.549 4.340 0.006 0.000 0.202 705 R C 1.154 177.429 176.300 -0.041 0.000 0.933 705 R CA 0.468 56.529 56.100 -0.065 0.000 1.054 705 R CB -0.107 30.134 30.300 -0.099 0.000 0.985 705 R HN 0.645 nan 8.270 nan 0.000 0.489 706 G N 1.473 110.255 108.800 -0.030 0.000 2.198 706 G HA2 -0.275 3.688 3.960 0.006 0.000 0.260 706 G HA3 -0.275 3.688 3.960 0.006 0.000 0.260 706 G C -0.072 174.839 174.900 0.018 0.000 1.025 706 G CA 0.045 45.143 45.100 -0.003 0.000 0.769 706 G HN 0.174 nan 8.290 nan 0.000 0.507 707 L N -0.453 120.777 121.223 0.012 0.000 2.331 707 L HA 0.728 5.071 4.340 0.006 0.000 0.275 707 L C 1.570 178.548 176.870 0.180 0.000 1.022 707 L CA -0.192 54.698 54.840 0.082 0.000 0.812 707 L CB 1.876 43.945 42.059 0.016 0.000 1.257 707 L HN 0.341 nan 8.230 nan 0.000 0.435 708 T N -2.647 112.073 114.554 0.276 0.000 3.075 708 T HA 0.284 4.637 4.350 0.006 0.000 0.251 708 T C 0.444 175.305 174.700 0.268 0.000 0.979 708 T CA -0.212 62.044 62.100 0.259 0.000 1.033 708 T CB 0.443 69.382 68.868 0.119 0.000 1.104 708 T HN 0.496 nan 8.240 nan 0.000 0.473 709 E N 0.575 120.879 120.200 0.173 0.000 2.317 709 E HA 0.621 4.974 4.350 0.006 0.000 0.270 709 E C -1.678 174.881 176.600 -0.069 0.000 0.885 709 E CA -1.175 55.169 56.400 -0.093 0.000 0.760 709 E CB 2.426 32.061 29.700 -0.109 0.000 1.227 709 E HN 0.471 nan 8.360 nan 0.000 0.434 710 F N -0.573 119.153 119.950 -0.374 0.000 2.593 710 F HA 0.616 5.147 4.527 0.006 0.000 0.320 710 F C -0.462 175.219 175.800 -0.199 0.000 1.060 710 F CA -1.299 56.567 58.000 -0.224 0.000 0.940 710 F CB 0.780 39.645 39.000 -0.226 0.000 1.268 710 F HN 0.108 nan 8.300 nan 0.000 0.475 711 N N 1.984 120.667 118.700 -0.029 0.000 2.472 711 N HA 0.188 4.931 4.740 0.006 0.000 0.277 711 N C -0.658 174.802 175.510 -0.084 0.000 1.081 711 N CA -0.408 52.573 53.050 -0.114 0.000 0.973 711 N CB 0.732 39.194 38.487 -0.043 0.000 1.105 711 N HN 0.767 nan 8.380 nan 0.000 0.470 712 D N -0.035 120.275 120.400 -0.150 0.000 2.414 712 D HA -0.039 4.605 4.640 0.006 0.000 0.259 712 D C 1.371 177.665 176.300 -0.009 0.000 1.269 712 D CA 0.078 54.042 54.000 -0.060 0.000 1.028 712 D CB 0.116 40.872 40.800 -0.073 0.000 1.093 712 D HN 0.611 nan 8.370 nan 0.000 0.545 713 H N -0.722 118.317 119.070 -0.051 0.000 2.491 713 H HA -0.001 4.559 4.556 0.006 0.000 0.290 713 H C 0.177 175.496 175.328 -0.014 0.000 1.050 713 H CA 1.120 57.155 56.048 -0.022 0.000 1.309 713 H CB -0.596 29.168 29.762 0.003 0.000 1.392 713 H HN 0.457 nan 8.280 nan 0.000 0.554 714 N N 0.032 118.463 118.700 -0.448 0.000 2.336 714 N HA 0.150 4.894 4.740 0.006 0.000 0.189 714 N C 0.844 176.255 175.510 -0.165 0.000 1.113 714 N CA 0.434 53.288 53.050 -0.328 0.000 0.858 714 N CB 0.631 38.898 38.487 -0.368 0.000 0.970 714 N HN 0.563 nan 8.380 nan 0.000 0.471 715 G N 1.078 109.801 108.800 -0.128 0.000 2.143 715 G HA2 -0.310 3.654 3.960 0.006 0.000 0.249 715 G HA3 -0.310 3.654 3.960 0.006 0.000 0.249 715 G C 0.009 174.843 174.900 -0.111 0.000 0.981 715 G CA -0.291 44.753 45.100 -0.092 0.000 0.665 715 G HN 0.257 nan 8.290 nan 0.000 0.528 716 R N -0.199 120.216 120.500 -0.141 0.000 2.490 716 R HA 0.548 4.891 4.340 0.006 0.000 0.278 716 R C -0.013 176.156 176.300 -0.220 0.000 1.069 716 R CA -0.442 55.564 56.100 -0.156 0.000 1.080 716 R CB 0.525 30.735 30.300 -0.151 0.000 1.030 716 R HN 0.009 nan 8.270 nan 0.000 0.491 717 K N 2.101 122.364 120.400 -0.228 0.000 2.205 717 K HA 0.276 4.599 4.320 0.006 0.000 0.279 717 K C -0.270 176.069 176.600 -0.434 0.000 1.027 717 K CA -0.118 55.978 56.287 -0.317 0.000 0.932 717 K CB 1.114 33.485 32.500 -0.215 0.000 1.032 717 K HN 0.367 nan 8.250 nan 0.000 0.466 718 R N 2.107 122.144 120.500 -0.771 0.000 2.686 718 R HA 0.420 4.764 4.340 0.006 0.000 0.286 718 R C -0.475 175.359 176.300 -0.776 0.000 0.969 718 R CA -0.982 54.626 56.100 -0.821 0.000 0.898 718 R CB 2.053 31.691 30.300 -1.103 0.000 1.183 718 R HN 0.423 nan 8.270 nan 0.000 0.456 719 R N 1.789 122.083 120.500 -0.343 0.000 2.340 719 R HA 0.112 4.455 4.340 0.006 0.000 0.300 719 R C 0.331 176.667 176.300 0.060 0.000 1.069 719 R CA -0.160 55.863 56.100 -0.129 0.000 0.984 719 R CB 0.554 30.834 30.300 -0.034 0.000 1.003 719 R HN 0.628 nan 8.270 nan 0.000 0.459 720 Y N 1.271 121.717 120.300 0.244 0.000 2.224 720 Y HA -0.231 4.322 4.550 0.006 0.000 0.289 720 Y C 2.049 178.023 175.900 0.123 0.000 1.146 720 Y CA 1.738 59.985 58.100 0.244 0.000 1.182 720 Y CB -0.128 38.426 38.460 0.157 0.000 0.983 720 Y HN 0.669 nan 8.280 nan 0.000 0.524 721 D N 0.209 120.758 120.400 0.249 0.000 2.363 721 D HA -0.153 4.490 4.640 0.006 0.000 0.220 721 D C 1.025 177.404 176.300 0.132 0.000 0.994 721 D CA 1.047 55.140 54.000 0.156 0.000 0.890 721 D CB -0.614 40.253 40.800 0.113 0.000 0.906 721 D HN 0.704 nan 8.370 nan 0.000 0.530 722 E N 0.189 120.462 120.200 0.122 0.000 2.498 722 E HA 0.076 4.430 4.350 0.006 0.000 0.203 722 E C 1.807 178.470 176.600 0.106 0.000 1.013 722 E CA -0.290 56.167 56.400 0.095 0.000 0.927 722 E CB -0.308 29.419 29.700 0.045 0.000 1.012 722 E HN 0.204 nan 8.360 nan 0.000 0.482 723 L N 0.373 121.678 121.223 0.137 0.000 2.012 723 L HA -0.186 4.158 4.340 0.006 0.000 0.210 723 L C 2.572 179.529 176.870 0.144 0.000 1.073 723 L CA 1.751 56.663 54.840 0.121 0.000 0.748 723 L CB -0.621 41.504 42.059 0.110 0.000 0.891 723 L HN 0.202 nan 8.230 nan 0.000 0.431 724 Y N 1.375 121.702 120.300 0.045 0.000 2.220 724 Y HA -0.272 4.281 4.550 0.006 0.000 0.291 724 Y C 2.695 178.665 175.900 0.117 0.000 1.129 724 Y CA 1.924 60.059 58.100 0.058 0.000 1.161 724 Y CB -0.159 38.314 38.460 0.022 0.000 0.997 724 Y HN 0.126 nan 8.280 nan 0.000 0.522 725 K N 0.342 120.802 120.400 0.099 0.000 2.057 725 K HA -0.197 4.126 4.320 0.006 0.000 0.207 725 K C 1.923 178.513 176.600 -0.017 0.000 1.049 725 K CA 1.912 58.201 56.287 0.004 0.000 0.931 725 K CB -0.330 32.218 32.500 0.080 0.000 0.714 725 K HN 0.242 nan 8.250 nan 0.000 0.440 726 K N 0.043 120.456 120.400 0.022 0.000 2.025 726 K HA -0.109 4.214 4.320 0.006 0.000 0.207 726 K C 2.015 178.622 176.600 0.013 0.000 1.049 726 K CA 1.622 57.915 56.287 0.011 0.000 0.933 726 K CB -0.345 32.156 32.500 0.002 0.000 0.714 726 K HN 0.114 nan 8.250 nan 0.000 0.438 727 F N 1.951 121.829 119.950 -0.121 0.000 2.091 727 F HA -0.249 4.281 4.527 0.006 0.000 0.299 727 F C 2.222 177.985 175.800 -0.062 0.000 1.103 727 F CA 2.023 59.925 58.000 -0.163 0.000 1.228 727 F CB -0.439 38.398 39.000 -0.271 0.000 0.984 727 F HN 0.063 nan 8.300 nan 0.000 0.477 728 T N -2.413 112.118 114.554 -0.037 0.000 3.129 728 T HA 0.088 4.442 4.350 0.006 0.000 0.251 728 T C 0.830 175.560 174.700 0.050 0.000 1.117 728 T CA 0.270 62.388 62.100 0.029 0.000 1.034 728 T CB -0.733 68.036 68.868 -0.164 0.000 0.968 728 T HN 0.374 nan 8.240 nan 0.000 0.526 729 M N 1.852 121.460 119.600 0.013 0.000 2.303 729 M HA -0.183 4.301 4.480 0.006 0.000 0.189 729 M C 0.114 176.437 176.300 0.038 0.000 0.688 729 M CA 0.833 56.146 55.300 0.022 0.000 0.479 729 M CB -2.036 30.582 32.600 0.031 0.000 1.094 729 M HN 0.445 nan 8.290 nan 0.000 0.907 730 D N 0.245 120.651 120.400 0.009 0.000 2.689 730 D HA -0.153 4.491 4.640 0.006 0.000 0.237 730 D C 0.997 177.329 176.300 0.054 0.000 1.148 730 D CA 2.633 56.649 54.000 0.027 0.000 0.656 730 D CB -0.993 39.827 40.800 0.034 0.000 1.050 730 D HN 1.110 nan 8.370 nan 0.000 0.426 731 G N -0.674 108.146 108.800 0.032 0.000 2.175 731 G HA2 -0.412 3.551 3.960 0.006 0.000 0.244 731 G HA3 -0.412 3.551 3.960 0.006 0.000 0.244 731 G C 0.673 175.616 174.900 0.071 0.000 0.982 731 G CA 0.963 46.099 45.100 0.059 0.000 0.641 731 G HN 0.654 nan 8.290 nan 0.000 0.527 732 H N -0.091 118.978 119.070 -0.002 0.000 2.436 732 H HA 0.397 4.956 4.556 0.006 0.000 0.294 732 H C 1.222 176.525 175.328 -0.041 0.000 1.048 732 H CA 1.222 57.258 56.048 -0.021 0.000 1.353 732 H CB 0.036 29.779 29.762 -0.032 0.000 1.414 732 H HN 0.327 nan 8.280 nan 0.000 0.536 733 L N 1.820 123.076 121.223 0.056 0.000 2.313 733 L HA 0.225 4.569 4.340 0.006 0.000 0.273 733 L C -0.104 176.888 176.870 0.202 0.000 1.028 733 L CA -0.154 54.669 54.840 -0.030 0.000 0.871 733 L CB 1.597 43.636 42.059 -0.033 0.000 1.242 733 L HN 0.322 nan 8.230 nan 0.000 0.434 734 L N 1.126 122.398 121.223 0.082 0.000 2.717 734 L HA 0.212 4.555 4.340 0.006 0.000 0.239 734 L C 0.797 177.801 176.870 0.223 0.000 1.086 734 L CA 0.322 55.306 54.840 0.240 0.000 0.897 734 L CB 0.948 43.091 42.059 0.140 0.000 1.214 734 L HN 0.631 nan 8.230 nan 0.000 0.508 735 T N -5.465 109.086 114.554 -0.006 0.000 2.906 735 T HA 0.304 4.657 4.350 0.006 0.000 0.295 735 T C 0.440 175.065 174.700 -0.125 0.000 1.075 735 T CA -0.646 61.463 62.100 0.015 0.000 1.005 735 T CB 1.825 70.706 68.868 0.021 0.000 1.136 735 T HN -0.212 nan 8.240 nan 0.000 0.498 736 N N 0.766 119.479 118.700 0.021 0.000 2.091 736 N HA -0.144 4.599 4.740 0.006 0.000 0.193 736 N C 1.620 177.104 175.510 -0.043 0.000 1.021 736 N CA 1.843 54.911 53.050 0.030 0.000 0.862 736 N CB -0.340 38.273 38.487 0.210 0.000 1.018 736 N HN 0.884 nan 8.380 nan 0.000 0.429 737 E N 0.219 120.368 120.200 -0.085 0.000 2.077 737 E HA -0.182 4.171 4.350 0.006 0.000 0.193 737 E C 0.874 177.271 176.600 -0.338 0.000 0.989 737 E CA 1.181 57.380 56.400 -0.334 0.000 0.800 737 E CB 0.056 29.409 29.700 -0.578 0.000 0.746 737 E HN 0.291 nan 8.360 nan 0.000 0.452 738 D N 0.037 120.261 120.400 -0.293 0.000 2.104 738 D HA -0.179 4.464 4.640 0.006 0.000 0.194 738 D C 2.033 178.124 176.300 -0.347 0.000 0.994 738 D CA 1.270 55.072 54.000 -0.329 0.000 0.830 738 D CB -0.604 39.998 40.800 -0.329 0.000 0.959 738 D HN 0.315 nan 8.370 nan 0.000 0.452 739 C N 0.348 119.398 119.300 -0.417 0.000 2.440 739 C HA -0.037 4.426 4.460 0.006 0.000 0.278 739 C C 2.652 177.509 174.990 -0.222 0.000 1.295 739 C CA -0.174 58.583 59.018 -0.434 0.000 1.738 739 C CB -0.900 26.457 27.740 -0.638 0.000 1.987 739 C HN 0.300 nan 8.230 nan 0.000 0.492 740 L N 1.628 122.756 121.223 -0.157 0.000 2.017 740 L HA -0.112 4.232 4.340 0.006 0.000 0.208 740 L C 2.407 179.186 176.870 -0.151 0.000 1.073 740 L CA 1.895 56.711 54.840 -0.039 0.000 0.745 740 L CB -0.745 41.381 42.059 0.111 0.000 0.894 740 L HN 0.261 nan 8.230 nan 0.000 0.432 741 K N -0.707 119.469 120.400 -0.374 0.000 2.063 741 K HA -0.245 4.079 4.320 0.006 0.000 0.208 741 K C 2.050 178.549 176.600 -0.168 0.000 1.048 741 K CA 1.579 57.646 56.287 -0.367 0.000 0.928 741 K CB -0.167 32.079 32.500 -0.422 0.000 0.713 741 K HN 0.270 nan 8.250 nan 0.000 0.442 742 E N 1.133 121.241 120.200 -0.155 0.000 2.072 742 E HA -0.109 4.244 4.350 0.006 0.000 0.191 742 E C 1.843 178.378 176.600 -0.108 0.000 0.985 742 E CA 1.362 57.699 56.400 -0.106 0.000 0.801 742 E CB -0.026 29.613 29.700 -0.101 0.000 0.750 742 E HN 0.203 nan 8.360 nan 0.000 0.452 743 M N -0.639 118.900 119.600 -0.103 0.000 2.213 743 M HA -0.138 4.345 4.480 0.006 0.000 0.263 743 M C 2.073 178.246 176.300 -0.212 0.000 1.062 743 M CA 0.948 56.179 55.300 -0.115 0.000 1.105 743 M CB -0.046 32.523 32.600 -0.052 0.000 1.385 743 M HN 0.052 nan 8.290 nan 0.000 0.417 744 V N 0.291 120.124 119.914 -0.135 0.000 2.358 744 V HA -0.264 3.860 4.120 0.006 0.000 0.246 744 V C 1.695 177.716 176.094 -0.122 0.000 1.047 744 V CA 1.859 64.093 62.300 -0.110 0.000 1.035 744 V CB -0.649 31.248 31.823 0.123 0.000 0.658 744 V HN 0.375 nan 8.190 nan 0.000 0.452 745 D N -0.009 120.332 120.400 -0.097 0.000 2.117 745 D HA -0.115 4.529 4.640 0.006 0.000 0.197 745 D C 2.038 178.238 176.300 -0.167 0.000 0.987 745 D CA 1.251 55.192 54.000 -0.099 0.000 0.829 745 D CB -0.195 40.553 40.800 -0.086 0.000 0.961 745 D HN 0.396 nan 8.370 nan 0.000 0.460 746 I N 0.756 121.201 120.570 -0.209 0.000 2.179 746 I HA -0.272 3.902 4.170 0.006 0.000 0.242 746 I C 1.976 177.899 176.117 -0.324 0.000 1.088 746 I CA 1.061 62.194 61.300 -0.278 0.000 1.357 746 I CB -0.293 37.576 38.000 -0.218 0.000 1.051 746 I HN 0.025 nan 8.210 nan 0.000 0.409 747 N N 0.323 118.762 118.700 -0.434 0.000 2.149 747 N HA -0.180 4.563 4.740 0.006 0.000 0.188 747 N C 1.946 177.255 175.510 -0.335 0.000 1.019 747 N CA 0.902 53.587 53.050 -0.608 0.000 0.857 747 N CB -0.038 37.561 38.487 -1.480 0.000 0.997 747 N HN 0.303 nan 8.380 nan 0.000 0.426 748 R N 0.650 121.039 120.500 -0.184 0.000 2.092 748 R HA 0.028 4.371 4.340 0.006 0.000 0.231 748 R C 2.305 178.564 176.300 -0.069 0.000 1.119 748 R CA 1.136 57.215 56.100 -0.033 0.000 0.970 748 R CB -0.165 30.148 30.300 0.022 0.000 0.864 748 R HN 0.174 nan 8.270 nan 0.000 0.440 749 A N 0.843 123.586 122.820 -0.128 0.000 1.930 749 A HA -0.092 4.232 4.320 0.006 0.000 0.217 749 A C 2.067 179.583 177.584 -0.113 0.000 1.175 749 A CA 1.553 53.509 52.037 -0.135 0.000 0.627 749 A CB -0.265 18.606 19.000 -0.215 0.000 0.815 749 A HN 0.253 nan 8.150 nan 0.000 0.443 750 V N -4.109 115.719 119.914 -0.143 0.000 3.596 750 V HA 0.552 4.675 4.120 0.006 0.000 0.289 750 V C 1.232 177.282 176.094 -0.073 0.000 1.336 750 V CA 0.681 62.924 62.300 -0.095 0.000 1.137 750 V CB -0.741 31.011 31.823 -0.118 0.000 0.966 750 V HN 1.447 nan 8.190 nan 0.000 0.428 751 G N 0.120 108.884 108.800 -0.061 0.000 2.159 751 G HA2 -0.280 3.684 3.960 0.006 0.000 0.256 751 G HA3 -0.280 3.684 3.960 0.006 0.000 0.256 751 G C 0.582 175.478 174.900 -0.006 0.000 0.977 751 G CA 0.535 45.621 45.100 -0.022 0.000 0.652 751 G HN 0.660 nan 8.290 nan 0.000 0.531 752 V N -0.217 119.658 119.914 -0.066 0.000 2.453 752 V HA 0.258 4.382 4.120 0.006 0.000 0.247 752 V C 1.261 177.444 176.094 0.149 0.000 1.048 752 V CA 1.418 63.691 62.300 -0.044 0.000 1.049 752 V CB -0.360 31.303 31.823 -0.266 0.000 0.672 752 V HN 0.286 nan 8.190 nan 0.000 0.457 753 F N -0.367 119.488 119.950 -0.159 0.000 2.507 753 F HA 0.746 5.276 4.527 0.006 0.000 0.327 753 F C 0.625 176.375 175.800 -0.082 0.000 1.068 753 F CA -1.888 56.011 58.000 -0.169 0.000 0.965 753 F CB 0.925 39.827 39.000 -0.164 0.000 1.192 753 F HN -0.032 nan 8.300 nan 0.000 0.476 754 A N 2.314 125.200 122.820 0.110 0.000 2.520 754 A HA 0.114 4.438 4.320 0.006 0.000 0.235 754 A C 1.411 179.074 177.584 0.132 0.000 1.065 754 A CA 0.109 52.201 52.037 0.092 0.000 0.764 754 A CB -0.023 19.016 19.000 0.066 0.000 1.002 754 A HN 0.911 nan 8.150 nan 0.000 0.502 755 K N 0.726 121.173 120.400 0.079 0.000 2.152 755 K HA -0.198 4.125 4.320 0.006 0.000 0.206 755 K C 0.341 176.984 176.600 0.071 0.000 1.048 755 K CA 1.889 58.213 56.287 0.061 0.000 0.933 755 K CB -0.193 32.326 32.500 0.031 0.000 0.721 755 K HN 0.719 nan 8.250 nan 0.000 0.447 756 D N -0.532 119.917 120.400 0.081 0.000 2.325 756 D HA -0.116 4.527 4.640 0.006 0.000 0.225 756 D C -0.365 175.984 176.300 0.082 0.000 1.096 756 D CA -0.344 53.694 54.000 0.064 0.000 0.844 756 D CB -0.432 40.395 40.800 0.045 0.000 0.925 756 D HN 0.309 nan 8.370 nan 0.000 0.513 757 Y N 2.764 123.061 120.300 -0.005 0.000 2.636 757 Y HA 0.232 4.786 4.550 0.006 0.000 0.341 757 Y C 0.482 176.385 175.900 0.005 0.000 1.169 757 Y CA -0.723 57.351 58.100 -0.044 0.000 1.498 757 Y CB -0.315 38.064 38.460 -0.135 0.000 1.362 757 Y HN -0.074 nan 8.280 nan 0.000 0.494 758 T N 0.296 114.718 114.554 -0.220 0.000 2.816 758 T HA -0.009 4.344 4.350 0.006 0.000 0.282 758 T C 0.959 175.585 174.700 -0.122 0.000 0.993 758 T CA -0.372 61.670 62.100 -0.097 0.000 0.994 758 T CB 0.635 69.458 68.868 -0.076 0.000 1.025 758 T HN 0.603 nan 8.240 nan 0.000 0.529 759 Y N 0.802 121.053 120.300 -0.082 0.000 2.207 759 Y HA -0.142 4.411 4.550 0.006 0.000 0.287 759 Y C 2.524 178.354 175.900 -0.116 0.000 1.156 759 Y CA 2.295 60.376 58.100 -0.031 0.000 1.182 759 Y CB -0.552 37.905 38.460 -0.004 0.000 0.979 759 Y HN 0.920 nan 8.280 nan 0.000 0.521 760 E N 0.405 120.492 120.200 -0.188 0.000 2.097 760 E HA -0.220 4.133 4.350 0.006 0.000 0.196 760 E C 2.069 178.468 176.600 -0.335 0.000 1.000 760 E CA 2.117 58.354 56.400 -0.272 0.000 0.804 760 E CB -0.167 29.454 29.700 -0.131 0.000 0.740 760 E HN 0.485 nan 8.360 nan 0.000 0.454 761 K N -0.792 119.378 120.400 -0.383 0.000 2.057 761 K HA -0.110 4.214 4.320 0.006 0.000 0.206 761 K C 2.097 178.423 176.600 -0.457 0.000 1.050 761 K CA 1.097 57.101 56.287 -0.471 0.000 0.935 761 K CB -0.373 31.671 32.500 -0.760 0.000 0.715 761 K HN 0.151 nan 8.250 nan 0.000 0.439 762 F N 2.785 122.299 119.950 -0.727 0.000 2.095 762 F HA -0.194 4.337 4.527 0.006 0.000 0.298 762 F C 1.991 177.467 175.800 -0.541 0.000 1.104 762 F CA 1.553 59.295 58.000 -0.430 0.000 1.232 762 F CB -0.117 38.759 39.000 -0.207 0.000 0.987 762 F HN -0.132 nan 8.300 nan 0.000 0.475 763 K N -0.045 119.820 120.400 -0.891 0.000 2.097 763 K HA -0.181 4.142 4.320 0.006 0.000 0.206 763 K C 2.120 178.530 176.600 -0.318 0.000 1.049 763 K CA 1.578 57.179 56.287 -1.143 0.000 0.933 763 K CB -0.076 31.828 32.500 -0.994 0.000 0.717 763 K HN 0.278 nan 8.250 nan 0.000 0.442 764 K N 0.504 120.785 120.400 -0.198 0.000 2.031 764 K HA -0.103 4.220 4.320 0.006 0.000 0.205 764 K C 1.962 178.716 176.600 0.256 0.000 1.049 764 K CA 1.213 57.528 56.287 0.046 0.000 0.939 764 K CB 0.077 32.556 32.500 -0.036 0.000 0.717 764 K HN 0.187 nan 8.250 nan 0.000 0.438 765 E N -0.634 119.588 120.200 0.036 0.000 2.158 765 E HA -0.044 4.310 4.350 0.006 0.000 0.191 765 E C 1.286 177.640 176.600 -0.410 0.000 0.982 765 E CA 0.726 57.115 56.400 -0.019 0.000 0.823 765 E CB 0.200 29.902 29.700 0.004 0.000 0.766 765 E HN 0.519 nan 8.360 nan 0.000 0.468 766 G N 1.638 110.047 108.800 -0.651 0.000 2.253 766 G HA2 -0.323 3.640 3.960 0.006 0.000 0.251 766 G HA3 -0.323 3.640 3.960 0.006 0.000 0.251 766 G C 0.245 174.703 174.900 -0.737 0.000 0.998 766 G CA 0.766 45.095 45.100 -1.285 0.000 0.621 766 G HN 0.412 nan 8.290 nan 0.000 0.524 767 Q N -1.917 117.655 119.800 -0.381 0.000 2.647 767 Q HA 0.653 4.997 4.340 0.006 0.000 0.283 767 Q C -1.412 174.612 176.000 0.040 0.000 0.943 767 Q CA -0.302 55.481 55.803 -0.033 0.000 0.813 767 Q CB 1.408 30.052 28.738 -0.156 0.000 1.477 767 Q HN 0.572 nan 8.270 nan 0.000 0.393 768 T N 0.192 114.811 114.554 0.108 0.000 3.041 768 T HA 0.430 4.783 4.350 0.006 0.000 0.321 768 T C -1.342 173.372 174.700 0.023 0.000 1.184 768 T CA -0.580 61.443 62.100 -0.129 0.000 1.050 768 T CB 1.498 69.951 68.868 -0.691 0.000 1.159 768 T HN 0.616 nan 8.240 nan 0.000 0.469 769 R N 2.522 122.994 120.500 -0.046 0.000 2.585 769 R HA 0.291 4.634 4.340 0.006 0.000 0.275 769 R C 0.149 176.483 176.300 0.057 0.000 1.018 769 R CA -0.020 56.065 56.100 -0.025 0.000 1.072 769 R CB 0.063 30.293 30.300 -0.116 0.000 0.953 769 R HN 0.532 nan 8.270 nan 0.000 0.419 770 F N 1.470 121.528 119.950 0.179 0.000 2.418 770 F HA 0.227 4.757 4.527 0.006 0.000 0.341 770 F C 0.525 176.371 175.800 0.076 0.000 1.120 770 F CA -0.873 57.254 58.000 0.212 0.000 1.232 770 F CB 0.321 39.540 39.000 0.364 0.000 1.175 770 F HN 0.321 nan 8.300 nan 0.000 0.569 771 L N 1.610 123.039 121.223 0.344 0.000 2.640 771 L HA 0.270 4.613 4.340 0.006 0.000 0.230 771 L C 0.304 177.281 176.870 0.178 0.000 1.123 771 L CA 0.327 55.274 54.840 0.178 0.000 0.900 771 L CB -0.361 41.754 42.059 0.092 0.000 1.146 771 L HN 0.912 nan 8.230 nan 0.000 0.484 772 S N -2.171 113.670 115.700 0.236 0.000 2.636 772 S HA 0.331 4.804 4.470 0.006 0.000 0.266 772 S C -0.089 174.493 174.600 -0.031 0.000 1.147 772 S CA -0.754 57.504 58.200 0.097 0.000 0.815 772 S CB 1.081 64.292 63.200 0.018 0.000 1.119 772 S HN -0.112 nan 8.310 nan 0.000 0.470 773 M N 1.745 121.266 119.600 -0.131 0.000 2.568 773 M HA 0.294 4.777 4.480 0.006 0.000 0.226 773 M C 1.435 177.597 176.300 -0.230 0.000 1.148 773 M CA 1.256 56.397 55.300 -0.265 0.000 1.007 773 M CB -1.301 31.141 32.600 -0.262 0.000 1.651 773 M HN 1.301 nan 8.290 nan 0.000 0.488 774 G N 1.213 109.914 108.800 -0.166 0.000 2.525 774 G HA2 -0.299 3.665 3.960 0.006 0.000 0.248 774 G HA3 -0.299 3.665 3.960 0.006 0.000 0.248 774 G C 0.408 175.234 174.900 -0.124 0.000 1.238 774 G CA 0.513 45.539 45.100 -0.123 0.000 0.926 774 G HN 0.417 nan 8.290 nan 0.000 0.574 775 T N -1.449 113.072 114.554 -0.056 0.000 3.040 775 T HA 0.603 4.957 4.350 0.006 0.000 0.266 775 T C 1.298 175.978 174.700 -0.033 0.000 1.005 775 T CA 1.160 63.230 62.100 -0.048 0.000 0.906 775 T CB 0.575 69.472 68.868 0.049 0.000 1.082 775 T HN 1.806 nan 8.240 nan 0.000 0.531 776 G N 1.002 109.766 108.800 -0.060 0.000 2.543 776 G HA2 0.446 4.410 3.960 0.006 0.000 0.267 776 G HA3 0.446 4.410 3.960 0.006 0.000 0.267 776 G C 0.982 175.860 174.900 -0.036 0.000 1.406 776 G CA -0.137 44.931 45.100 -0.054 0.000 1.048 776 G HN 0.064 nan 8.290 nan 0.000 0.548 777 V N 0.138 120.016 119.914 -0.060 0.000 2.332 777 V HA -0.184 3.940 4.120 0.006 0.000 0.248 777 V C 3.153 179.256 176.094 0.015 0.000 1.055 777 V CA 2.434 64.757 62.300 0.038 0.000 1.038 777 V CB -0.693 31.178 31.823 0.080 0.000 0.651 777 V HN 0.600 nan 8.190 nan 0.000 0.450 778 S N -0.606 114.969 115.700 -0.208 0.000 2.387 778 S HA -0.276 4.197 4.470 0.006 0.000 0.230 778 S C 2.108 176.627 174.600 -0.135 0.000 1.035 778 S CA 1.842 59.927 58.200 -0.191 0.000 1.014 778 S CB -0.478 62.480 63.200 -0.403 0.000 0.836 778 S HN 0.580 nan 8.310 nan 0.000 0.466 779 R N -0.315 120.040 120.500 -0.242 0.000 2.105 779 R HA -0.171 4.173 4.340 0.006 0.000 0.239 779 R C 1.504 177.585 176.300 -0.365 0.000 1.135 779 R CA 1.702 57.575 56.100 -0.378 0.000 0.967 779 R CB -0.199 29.722 30.300 -0.632 0.000 0.861 779 R HN 0.500 nan 8.270 nan 0.000 0.442 780 Y N -1.216 119.135 120.300 0.084 0.000 2.441 780 Y HA 0.303 4.856 4.550 0.006 0.000 0.288 780 Y C 2.299 178.263 175.900 0.106 0.000 1.118 780 Y CA 0.369 58.571 58.100 0.170 0.000 1.215 780 Y CB -0.368 38.158 38.460 0.111 0.000 1.118 780 Y HN 0.107 nan 8.280 nan 0.000 0.547 781 A N 0.104 123.063 122.820 0.232 0.000 1.877 781 A HA -0.286 4.038 4.320 0.006 0.000 0.216 781 A C 1.920 179.557 177.584 0.088 0.000 1.186 781 A CA 2.254 54.415 52.037 0.206 0.000 0.620 781 A CB -1.176 17.988 19.000 0.273 0.000 0.822 781 A HN 0.605 nan 8.150 nan 0.000 0.443 782 H N -0.172 118.854 119.070 -0.073 0.000 2.422 782 H HA 0.111 4.671 4.556 0.006 0.000 0.298 782 H C 1.112 176.203 175.328 -0.394 0.000 1.098 782 H CA 1.368 57.314 56.048 -0.170 0.000 1.315 782 H CB -0.423 29.230 29.762 -0.181 0.000 1.382 782 H HN 0.879 nan 8.280 nan 0.000 0.523 783 A N -0.127 122.269 122.820 -0.708 0.000 2.739 783 A HA -0.256 4.068 4.320 0.006 0.000 0.296 783 A C 0.030 176.447 177.584 -1.945 0.000 1.488 783 A CA 1.091 52.404 52.037 -1.206 0.000 0.746 783 A CB -2.300 16.321 19.000 -0.631 0.000 1.047 783 A HN 0.718 nan 8.150 nan 0.000 0.477 784 N N -0.650 116.847 118.700 -2.004 0.000 2.859 784 N HA 0.424 5.167 4.740 0.006 0.000 0.250 784 N C -1.083 174.095 175.510 -0.555 0.000 1.341 784 N CA 0.048 52.286 53.050 -1.354 0.000 0.881 784 N CB 1.010 38.943 38.487 -0.923 0.000 1.516 784 N HN 0.446 nan 8.380 nan 0.000 0.503 785 E N 0.320 120.454 120.200 -0.111 0.000 2.283 785 E HA 0.381 4.735 4.350 0.006 0.000 0.267 785 E C -0.472 176.141 176.600 0.022 0.000 1.045 785 E CA -0.598 55.849 56.400 0.078 0.000 0.884 785 E CB 0.973 30.786 29.700 0.189 0.000 1.106 785 E HN 0.224 nan 8.360 nan 0.000 0.408 786 V N 1.717 121.659 119.914 0.047 0.000 2.461 786 V HA 0.137 4.260 4.120 0.006 0.000 0.275 786 V C -0.158 175.954 176.094 0.031 0.000 1.047 786 V CA -0.276 62.048 62.300 0.040 0.000 0.955 786 V CB 0.922 32.802 31.823 0.095 0.000 0.988 786 V HN 0.674 nan 8.190 nan 0.000 0.471 787 D N 3.702 124.108 120.400 0.010 0.000 2.469 787 D HA 0.217 4.861 4.640 0.006 0.000 0.251 787 D C 0.651 176.944 176.300 -0.011 0.000 1.173 787 D CA -0.504 53.502 54.000 0.011 0.000 0.882 787 D CB 2.044 42.858 40.800 0.024 0.000 1.129 787 D HN 0.321 nan 8.370 nan 0.000 0.549 788 V N 2.099 122.001 119.914 -0.019 0.000 3.078 788 V HA -0.078 4.045 4.120 0.006 0.000 0.265 788 V C 1.660 177.736 176.094 -0.031 0.000 1.122 788 V CA 1.942 64.216 62.300 -0.044 0.000 1.141 788 V CB -1.426 30.367 31.823 -0.051 0.000 0.735 788 V HN 0.655 nan 8.190 nan 0.000 0.498 789 T N -1.388 113.159 114.554 -0.012 0.000 3.148 789 T HA 0.183 4.536 4.350 0.006 0.000 0.253 789 T C 0.528 175.210 174.700 -0.030 0.000 1.134 789 T CA 0.442 62.541 62.100 -0.002 0.000 1.051 789 T CB -0.361 68.522 68.868 0.025 0.000 0.959 789 T HN 0.886 nan 8.240 nan 0.000 0.525 790 K N -0.236 120.129 120.400 -0.058 0.000 2.536 790 K HA 0.658 4.981 4.320 0.006 0.000 0.269 790 K C -3.586 172.936 176.600 -0.130 0.000 0.965 790 K CA -2.597 53.614 56.287 -0.126 0.000 0.860 790 K CB 0.937 33.443 32.500 0.010 0.000 1.423 790 K HN -0.240 nan 8.250 nan 0.000 0.438 791 P HA 0.053 nan 4.420 nan 0.000 0.265 791 P C -0.488 176.879 177.300 0.113 0.000 1.193 791 P CA 0.036 63.094 63.100 -0.070 0.000 0.765 791 P CB 0.313 31.962 31.700 -0.085 0.000 0.823 792 I N 4.358 124.993 120.570 0.109 0.000 2.556 792 I HA 0.101 4.275 4.170 0.006 0.000 0.284 792 I C 0.184 176.488 176.117 0.312 0.000 1.114 792 I CA 0.260 61.648 61.300 0.147 0.000 1.418 792 I CB -0.216 37.846 38.000 0.103 0.000 1.394 792 I HN 0.436 nan 8.210 nan 0.000 0.552 793 Y N 6.519 126.937 120.300 0.197 0.000 2.571 793 Y HA 0.742 5.296 4.550 0.006 0.000 0.341 793 Y C -3.202 172.683 175.900 -0.025 0.000 1.076 793 Y CA -2.842 55.352 58.100 0.158 0.000 1.029 793 Y CB 1.243 39.739 38.460 0.059 0.000 1.308 793 Y HN 0.244 nan 8.280 nan 0.000 0.461 794 P HA 0.394 nan 4.420 nan 0.000 0.285 794 P C -0.256 176.888 177.300 -0.260 0.000 1.285 794 P CA -0.377 62.408 63.100 -0.526 0.000 0.854 794 P CB 2.203 33.725 31.700 -0.296 0.000 1.180 795 M N -3.340 116.022 119.600 -0.396 0.000 2.970 795 M HA -0.218 4.266 4.480 0.006 0.000 0.202 795 M C 1.361 177.678 176.300 0.028 0.000 0.601 795 M CA 0.699 55.934 55.300 -0.109 0.000 0.767 795 M CB -1.533 31.074 32.600 0.012 0.000 2.747 795 M HN 0.422 nan 8.290 nan 0.000 0.312 796 R N 0.773 121.208 120.500 -0.109 0.000 2.117 796 R HA -0.170 4.174 4.340 0.006 0.000 0.243 796 R C 1.574 177.972 176.300 0.162 0.000 1.143 796 R CA 2.531 58.698 56.100 0.113 0.000 0.968 796 R CB -0.094 30.180 30.300 -0.043 0.000 0.863 796 R HN 0.630 nan 8.270 nan 0.000 0.444 797 W N 0.347 121.552 121.300 -0.158 0.000 2.363 797 W HA -0.139 4.525 4.660 0.006 0.000 0.296 797 W C 2.163 178.537 176.519 -0.241 0.000 1.212 797 W CA 0.646 57.847 57.345 -0.240 0.000 1.260 797 W CB -1.220 28.015 29.460 -0.374 0.000 1.131 797 W HN 0.292 nan 8.180 nan 0.000 0.530 798 H N -1.740 117.407 119.070 0.129 0.000 2.321 798 H HA -0.149 4.411 4.556 0.006 0.000 0.300 798 H C 2.029 177.482 175.328 0.210 0.000 1.087 798 H CA 1.688 57.748 56.048 0.020 0.000 1.319 798 H CB -1.157 28.478 29.762 -0.212 0.000 1.379 798 H HN 0.127 nan 8.280 nan 0.000 0.501 799 F N 1.953 122.072 119.950 0.282 0.000 2.094 799 F HA -0.067 4.463 4.527 0.006 0.000 0.291 799 F C 1.897 177.795 175.800 0.163 0.000 1.109 799 F CA 1.049 59.192 58.000 0.238 0.000 1.221 799 F CB -0.144 39.053 39.000 0.329 0.000 1.014 799 F HN -0.113 nan 8.300 nan 0.000 0.473 800 D N 0.157 120.546 120.400 -0.018 0.000 2.117 800 D HA -0.132 4.512 4.640 0.006 0.000 0.198 800 D C 1.568 177.809 176.300 -0.098 0.000 0.982 800 D CA 1.578 55.499 54.000 -0.132 0.000 0.828 800 D CB -0.337 40.517 40.800 0.089 0.000 0.967 800 D HN 0.328 nan 8.370 nan 0.000 0.464 801 D N -0.153 120.244 120.400 -0.005 0.000 2.367 801 D HA -0.004 4.639 4.640 0.006 0.000 0.207 801 D C 0.381 176.659 176.300 -0.037 0.000 1.034 801 D CA 0.153 54.136 54.000 -0.029 0.000 0.861 801 D CB 0.393 41.172 40.800 -0.034 0.000 0.943 801 D HN -0.046 nan 8.370 nan 0.000 0.515 802 K N 0.396 120.789 120.400 -0.012 0.000 3.129 802 K HA -0.219 4.104 4.320 0.006 0.000 0.273 802 K C 0.199 176.821 176.600 0.035 0.000 1.123 802 K CA 0.325 56.621 56.287 0.016 0.000 0.800 802 K CB -2.188 30.302 32.500 -0.017 0.000 1.238 802 K HN 0.307 nan 8.250 nan 0.000 0.492 803 K N 1.637 122.054 120.400 0.028 0.000 2.412 803 K HA 0.155 4.479 4.320 0.006 0.000 0.281 803 K C 0.874 177.529 176.600 0.092 0.000 1.027 803 K CA -0.045 56.248 56.287 0.009 0.000 0.989 803 K CB 0.684 33.138 32.500 -0.078 0.000 0.935 803 K HN 0.140 nan 8.250 nan 0.000 0.475 804 V N 1.750 121.698 119.914 0.057 0.000 3.139 804 V HA 0.181 4.305 4.120 0.006 0.000 0.307 804 V C -0.096 176.009 176.094 0.018 0.000 1.095 804 V CA -0.208 62.142 62.300 0.082 0.000 1.160 804 V CB 0.023 31.879 31.823 0.055 0.000 1.003 804 V HN 0.477 nan 8.190 nan 0.000 0.489 805 F N 2.419 122.380 119.950 0.019 0.000 2.397 805 F HA 0.538 5.068 4.527 0.006 0.000 0.331 805 F C -1.723 174.052 175.800 -0.043 0.000 1.090 805 F CA -2.331 55.632 58.000 -0.061 0.000 1.065 805 F CB 1.732 40.629 39.000 -0.172 0.000 1.184 805 F HN 0.405 nan 8.300 nan 0.000 0.499 806 P HA 0.091 nan 4.420 nan 0.000 0.230 806 P C -0.671 176.613 177.300 -0.027 0.000 1.791 806 P CA 0.039 63.164 63.100 0.042 0.000 1.020 806 P CB -0.339 31.386 31.700 0.043 0.000 1.977 807 T N -3.222 111.303 114.554 -0.048 0.000 2.916 807 T HA 0.220 4.574 4.350 0.006 0.000 0.292 807 T C 1.091 175.686 174.700 -0.175 0.000 1.064 807 T CA -0.484 61.531 62.100 -0.143 0.000 1.011 807 T CB 1.241 70.014 68.868 -0.159 0.000 1.152 807 T HN 0.032 nan 8.240 nan 0.000 0.510 808 H N 1.590 120.407 119.070 -0.421 0.000 2.297 808 H HA -0.186 4.373 4.556 0.006 0.000 0.289 808 H C 2.125 177.343 175.328 -0.183 0.000 1.105 808 H CA 3.510 59.283 56.048 -0.458 0.000 1.219 808 H CB -0.516 28.720 29.762 -0.877 0.000 1.351 808 H HN 0.850 nan 8.280 nan 0.000 0.481 809 T N -2.435 112.000 114.554 -0.199 0.000 3.113 809 T HA 0.095 4.449 4.350 0.006 0.000 0.256 809 T C 1.083 175.721 174.700 -0.104 0.000 1.131 809 T CA 0.448 62.430 62.100 -0.197 0.000 1.074 809 T CB 0.082 68.704 68.868 -0.410 0.000 0.944 809 T HN 0.397 nan 8.240 nan 0.000 0.516 810 R N -0.065 120.383 120.500 -0.088 0.000 3.994 810 R HA -0.114 4.230 4.340 0.006 0.000 0.403 810 R C -0.169 176.203 176.300 0.121 0.000 1.126 810 R CA 0.868 56.968 56.100 0.001 0.000 1.143 810 R CB -1.788 28.495 30.300 -0.028 0.000 1.695 810 R HN 0.570 nan 8.270 nan 0.000 0.555 811 R N -0.755 119.759 120.500 0.023 0.000 2.930 811 R HA 0.705 5.048 4.340 0.006 0.000 0.257 811 R C -0.451 175.595 176.300 -0.423 0.000 1.107 811 R CA -0.176 55.916 56.100 -0.015 0.000 0.999 811 R CB 1.014 31.332 30.300 0.030 0.000 1.209 811 R HN 0.140 nan 8.270 nan 0.000 0.486 812 A N 1.328 123.682 122.820 -0.777 0.000 2.444 812 A HA 0.087 4.411 4.320 0.006 0.000 0.273 812 A C -0.522 176.702 177.584 -0.600 0.000 1.136 812 A CA 0.272 51.747 52.037 -0.937 0.000 0.799 812 A CB 0.007 18.619 19.000 -0.647 0.000 1.081 812 A HN 0.566 nan 8.150 nan 0.000 0.509 813 Q N 2.752 122.101 119.800 -0.752 0.000 2.381 813 Q HA 0.494 4.838 4.340 0.006 0.000 0.263 813 Q C -0.977 174.698 176.000 -0.541 0.000 1.030 813 Q CA -0.449 55.103 55.803 -0.418 0.000 0.772 813 Q CB 0.447 29.037 28.738 -0.247 0.000 1.232 813 Q HN 0.710 nan 8.270 nan 0.000 0.476 814 F N 1.968 121.961 119.950 0.073 0.000 2.698 814 F HA 0.109 4.639 4.527 0.006 0.000 0.295 814 F C 0.220 176.126 175.800 0.177 0.000 1.124 814 F CA -0.051 58.010 58.000 0.102 0.000 1.426 814 F CB 0.414 39.482 39.000 0.114 0.000 1.120 814 F HN 0.519 nan 8.300 nan 0.000 0.583 815 Y N 1.870 122.294 120.300 0.206 0.000 2.385 815 Y HA 0.523 5.077 4.550 0.006 0.000 0.341 815 Y C -0.746 175.214 175.900 0.100 0.000 0.965 815 Y CA -1.635 56.530 58.100 0.108 0.000 1.180 815 Y CB 0.326 38.803 38.460 0.028 0.000 1.139 815 Y HN -0.156 nan 8.280 nan 0.000 0.502 816 L N 6.875 127.896 121.223 -0.336 0.000 2.272 816 L HA 0.267 4.611 4.340 0.006 0.000 0.284 816 L C 0.272 176.769 176.870 -0.622 0.000 1.045 816 L CA -0.478 54.111 54.840 -0.418 0.000 0.842 816 L CB 0.801 42.561 42.059 -0.499 0.000 1.224 816 L HN 0.639 nan 8.230 nan 0.000 0.430 817 D N 0.331 120.394 120.400 -0.560 0.000 2.370 817 D HA -0.079 4.565 4.640 0.006 0.000 0.230 817 D C 0.619 176.757 176.300 -0.270 0.000 1.143 817 D CA -0.266 53.428 54.000 -0.510 0.000 0.834 817 D CB 0.009 40.548 40.800 -0.434 0.000 0.944 817 D HN 0.359 nan 8.370 nan 0.000 0.504 818 H N 1.615 120.353 119.070 -0.553 0.000 2.848 818 H HA 0.009 4.568 4.556 0.006 0.000 0.341 818 H C 0.443 175.758 175.328 -0.023 0.000 1.060 818 H CA 0.206 56.013 56.048 -0.402 0.000 1.444 818 H CB 1.238 30.604 29.762 -0.660 0.000 1.446 818 H HN -0.119 nan 8.280 nan 0.000 0.583 819 D N 4.120 124.511 120.400 -0.016 0.000 2.149 819 D HA -0.224 4.419 4.640 0.006 0.000 0.194 819 D C 1.813 178.411 176.300 0.497 0.000 1.001 819 D CA 1.281 55.411 54.000 0.218 0.000 0.849 819 D CB -0.163 40.753 40.800 0.193 0.000 0.939 819 D HN 0.638 nan 8.370 nan 0.000 0.449 820 W N 0.434 122.019 121.300 0.476 0.000 2.358 820 W HA -0.130 4.534 4.660 0.006 0.000 0.303 820 W C 2.391 178.998 176.519 0.147 0.000 1.208 820 W CA 0.416 57.972 57.345 0.351 0.000 1.274 820 W CB -1.410 28.266 29.460 0.359 0.000 1.138 820 W HN 0.126 nan 8.180 nan 0.000 0.515 821 Y N -0.235 120.255 120.300 0.316 0.000 2.200 821 Y HA -0.163 4.391 4.550 0.006 0.000 0.290 821 Y C 2.511 178.447 175.900 0.060 0.000 1.137 821 Y CA 1.302 59.467 58.100 0.109 0.000 1.163 821 Y CB -1.244 37.217 38.460 0.003 0.000 0.988 821 Y HN -0.183 nan 8.280 nan 0.000 0.518 822 L N -0.162 121.178 121.223 0.196 0.000 1.990 822 L HA -0.287 4.056 4.340 0.006 0.000 0.213 822 L C 2.308 179.241 176.870 0.106 0.000 1.072 822 L CA 1.837 56.739 54.840 0.103 0.000 0.755 822 L CB -0.546 41.561 42.059 0.080 0.000 0.889 822 L HN 0.284 nan 8.230 nan 0.000 0.432 823 E N -0.320 119.960 120.200 0.133 0.000 2.106 823 E HA -0.171 4.182 4.350 0.006 0.000 0.192 823 E C 2.109 178.751 176.600 0.070 0.000 0.984 823 E CA 0.999 57.458 56.400 0.099 0.000 0.806 823 E CB -0.113 29.653 29.700 0.109 0.000 0.750 823 E HN 0.492 nan 8.360 nan 0.000 0.458 824 A N 0.291 123.147 122.820 0.060 0.000 2.168 824 A HA 0.136 4.460 4.320 0.006 0.000 0.215 824 A C 1.722 179.313 177.584 0.012 0.000 1.152 824 A CA 0.945 52.989 52.037 0.011 0.000 0.716 824 A CB -0.380 18.571 19.000 -0.081 0.000 0.794 824 A HN 0.343 nan 8.150 nan 0.000 0.465 825 G N -0.826 107.997 108.800 0.038 0.000 2.137 825 G HA2 -0.227 3.736 3.960 0.006 0.000 0.237 825 G HA3 -0.227 3.736 3.960 0.006 0.000 0.237 825 G C 0.099 175.029 174.900 0.049 0.000 1.002 825 G CA 0.455 45.583 45.100 0.046 0.000 0.702 825 G HN 0.617 nan 8.290 nan 0.000 0.515 826 E N -0.048 120.189 120.200 0.063 0.000 2.651 826 E HA 0.148 4.501 4.350 0.006 0.000 0.208 826 E C 2.046 178.765 176.600 0.199 0.000 0.997 826 E CA 0.453 56.925 56.400 0.120 0.000 1.020 826 E CB 0.269 30.025 29.700 0.094 0.000 1.052 826 E HN 0.564 nan 8.360 nan 0.000 0.465 827 S N 0.224 115.984 115.700 0.100 0.000 2.382 827 S HA -0.083 4.391 4.470 0.006 0.000 0.228 827 S C 1.033 175.652 174.600 0.032 0.000 1.027 827 S CA 0.639 58.813 58.200 -0.043 0.000 0.991 827 S CB -0.019 63.078 63.200 -0.171 0.000 0.823 827 S HN 0.135 nan 8.310 nan 0.000 0.469 828 L N 1.566 122.828 121.223 0.065 0.000 2.334 828 L HA 0.525 4.869 4.340 0.006 0.000 0.270 828 L C -2.636 174.276 176.870 0.070 0.000 1.018 828 L CA -3.082 51.794 54.840 0.059 0.000 0.811 828 L CB 1.350 43.301 42.059 -0.180 0.000 1.271 828 L HN -0.058 nan 8.230 nan 0.000 0.443 829 P HA 0.095 nan 4.420 nan 0.000 0.266 829 P C -0.731 176.672 177.300 0.171 0.000 1.195 829 P CA 0.137 63.332 63.100 0.159 0.000 0.768 829 P CB 0.803 32.603 31.700 0.168 0.000 0.838 830 T N 0.579 115.223 114.554 0.150 0.000 2.830 830 T HA 0.300 4.653 4.350 0.006 0.000 0.322 830 T C -1.822 172.972 174.700 0.155 0.000 1.501 830 T CA -0.556 61.665 62.100 0.200 0.000 1.036 830 T CB 0.471 69.505 68.868 0.278 0.000 1.379 830 T HN 0.435 nan 8.240 nan 0.000 0.493 831 H N 2.431 121.594 119.070 0.155 0.000 2.562 831 H HA 0.670 5.229 4.556 0.006 0.000 0.314 831 H C -0.570 174.800 175.328 0.071 0.000 1.079 831 H CA -0.033 56.103 56.048 0.146 0.000 1.349 831 H CB 0.534 30.468 29.762 0.286 0.000 1.432 831 H HN 0.374 nan 8.280 nan 0.000 0.479 832 K N 4.454 124.460 120.400 -0.657 0.000 2.397 832 K HA 0.216 4.539 4.320 0.006 0.000 0.253 832 K C -0.889 175.328 176.600 -0.638 0.000 0.932 832 K CA -1.050 54.816 56.287 -0.702 0.000 0.795 832 K CB 1.735 33.757 32.500 -0.796 0.000 1.159 832 K HN 0.692 nan 8.250 nan 0.000 0.424 833 D N 1.892 122.026 120.400 -0.444 0.000 2.399 833 D HA 0.010 4.654 4.640 0.006 0.000 0.241 833 D C -0.136 176.196 176.300 0.053 0.000 1.133 833 D CA 0.430 54.383 54.000 -0.080 0.000 0.890 833 D CB 0.924 41.737 40.800 0.022 0.000 1.201 833 D HN 0.402 nan 8.370 nan 0.000 0.432 834 T N 3.290 117.905 114.554 0.102 0.000 2.891 834 T HA 0.067 4.420 4.350 0.006 0.000 0.296 834 T C -2.047 172.604 174.700 -0.083 0.000 1.025 834 T CA -0.729 61.391 62.100 0.032 0.000 1.149 834 T CB 0.121 69.008 68.868 0.031 0.000 1.007 834 T HN 0.171 nan 8.240 nan 0.000 0.528 835 P HA 0.085 nan 4.420 nan 0.000 0.268 835 P C 0.240 177.463 177.300 -0.128 0.000 1.208 835 P CA -0.069 62.867 63.100 -0.274 0.000 0.777 835 P CB 0.324 31.656 31.700 -0.613 0.000 0.875 836 M N 1.500 121.078 119.600 -0.036 0.000 3.759 836 M HA 0.051 4.535 4.480 0.006 0.000 0.190 836 M C -0.560 175.747 176.300 0.013 0.000 1.478 836 M CA -0.178 55.132 55.300 0.016 0.000 1.691 836 M CB -0.579 32.058 32.600 0.063 0.000 1.113 836 M HN 0.043 nan 8.290 nan 0.000 0.542 837 V N 1.067 120.910 119.914 -0.119 0.000 2.540 837 V HA 0.179 4.302 4.120 0.006 0.000 0.297 837 V C 1.318 177.073 176.094 -0.564 0.000 1.024 837 V CA 1.041 63.112 62.300 -0.381 0.000 1.105 837 V CB 0.190 31.854 31.823 -0.267 0.000 0.938 837 V HN 1.021 nan 8.190 nan 0.000 0.482 838 G N 2.833 110.905 108.800 -1.214 0.000 2.213 838 G HA2 0.179 4.142 3.960 0.006 0.000 0.236 838 G HA3 0.179 4.142 3.960 0.006 0.000 0.236 838 G C 0.868 175.792 174.900 0.039 0.000 0.991 838 G CA 0.028 44.750 45.100 -0.630 0.000 0.629 838 G HN 2.406 nan 8.290 nan 0.000 0.517 839 G N -0.563 108.346 108.800 0.182 0.000 2.483 839 G HA2 0.349 4.312 3.960 0.006 0.000 0.521 839 G HA3 0.349 4.312 3.960 0.006 0.000 0.521 839 G C -0.904 174.085 174.900 0.148 0.000 1.278 839 G CA 0.516 45.820 45.100 0.339 0.000 0.965 839 G HN 1.237 nan 8.290 nan 0.000 0.504 840 D N 0.780 121.151 120.400 -0.049 0.000 2.483 840 D HA 0.539 5.183 4.640 0.006 0.000 0.220 840 D C 0.108 176.208 176.300 -0.334 0.000 1.173 840 D CA 0.098 54.027 54.000 -0.118 0.000 0.964 840 D CB -0.505 40.241 40.800 -0.090 0.000 1.046 840 D HN 0.511 nan 8.370 nan 0.000 0.517 841 H N 1.807 120.879 119.070 0.003 0.000 2.747 841 H HA 0.337 4.896 4.556 0.004 0.000 0.371 841 H C -1.523 173.792 175.328 -0.021 0.000 1.161 841 H CA -1.507 54.529 56.048 -0.020 0.000 1.167 841 H CB 2.173 31.897 29.762 -0.063 0.000 1.732 841 H HN 0.104 nan 8.280 nan 0.000 0.544 842 P HA -0.018 nan 4.420 nan 0.000 0.235 842 P C -0.438 176.749 177.300 -0.188 0.000 1.177 842 P CA 0.636 63.680 63.100 -0.094 0.000 0.785 842 P CB 0.609 32.190 31.700 -0.199 0.000 0.885 843 F N 0.883 120.838 119.950 0.009 0.000 2.379 843 F HA 0.376 4.905 4.527 0.003 0.000 0.332 843 F C 1.230 177.034 175.800 0.007 0.000 1.096 843 F CA -0.606 57.397 58.000 0.005 0.000 1.105 843 F CB 1.089 40.086 39.000 -0.006 0.000 1.189 843 F HN -0.454 nan 8.300 nan 0.000 0.515 844 K N 3.243 123.757 120.400 0.189 0.000 2.240 844 K HA 0.436 4.759 4.320 0.006 0.000 0.271 844 K C -0.848 175.831 176.600 0.133 0.000 1.018 844 K CA -0.594 55.768 56.287 0.125 0.000 0.874 844 K CB 1.886 34.435 32.500 0.083 0.000 1.098 844 K HN 0.570 nan 8.250 nan 0.000 0.458 845 I N 3.227 123.864 120.570 0.111 0.000 2.365 845 I HA 0.135 4.309 4.170 0.006 0.000 0.291 845 I C 0.112 176.286 176.117 0.095 0.000 1.004 845 I CA 0.134 61.494 61.300 0.099 0.000 1.311 845 I CB 0.969 39.051 38.000 0.136 0.000 1.401 845 I HN 0.689 nan 8.210 nan 0.000 0.491 846 T N 2.929 117.505 114.554 0.035 0.000 2.910 846 T HA 0.909 5.262 4.350 0.006 0.000 0.287 846 T C -0.108 174.556 174.700 -0.061 0.000 1.050 846 T CA -0.450 61.664 62.100 0.023 0.000 1.011 846 T CB 1.825 70.693 68.868 -0.000 0.000 1.195 846 T HN 0.701 nan 8.240 nan 0.000 0.540 847 G N -1.583 107.206 108.800 -0.020 0.000 3.166 847 G HA2 0.833 4.797 3.960 0.006 0.000 0.267 847 G HA3 0.833 4.797 3.960 0.006 0.000 0.267 847 G C -0.324 174.546 174.900 -0.050 0.000 1.256 847 G CA -0.640 44.412 45.100 -0.080 0.000 0.859 847 G HN 1.536 nan 8.290 nan 0.000 0.590 848 G N -1.968 106.928 108.800 0.161 0.000 2.361 848 G HA2 0.435 4.398 3.960 0.006 0.000 0.299 848 G HA3 0.435 4.398 3.960 0.006 0.000 0.299 848 G C -1.492 173.655 174.900 0.412 0.000 1.544 848 G CA -0.865 44.457 45.100 0.371 0.000 0.860 848 G HN 0.690 nan 8.290 nan 0.000 0.610 849 H N 1.147 120.301 119.070 0.139 0.000 2.652 849 H HA 0.245 4.805 4.556 0.006 0.000 0.349 849 H C -1.846 173.350 175.328 -0.221 0.000 1.099 849 H CA -0.993 54.959 56.048 -0.159 0.000 1.417 849 H CB 1.626 31.389 29.762 0.002 0.000 1.457 849 H HN 0.221 nan 8.280 nan 0.000 0.568 850 P HA -0.018 nan 4.420 nan 0.000 0.271 850 P C 0.671 177.651 177.300 -0.533 0.000 1.216 850 P CA -0.015 62.722 63.100 -0.606 0.000 0.771 850 P CB 0.970 32.158 31.700 -0.853 0.000 0.864 851 R N 3.282 123.207 120.500 -0.958 0.000 2.105 851 R HA -0.114 4.230 4.340 0.006 0.000 0.239 851 R C 1.393 177.335 176.300 -0.596 0.000 1.135 851 R CA 2.095 57.570 56.100 -1.042 0.000 0.967 851 R CB -0.517 28.761 30.300 -1.702 0.000 0.861 851 R HN 0.407 nan 8.270 nan 0.000 0.442 852 V N -2.173 117.396 119.914 -0.576 0.000 3.623 852 V HA 0.244 4.368 4.120 0.006 0.000 0.271 852 V C 0.367 176.331 176.094 -0.217 0.000 1.248 852 V CA 0.317 62.397 62.300 -0.367 0.000 1.156 852 V CB 0.207 31.725 31.823 -0.509 0.000 0.870 852 V HN 0.232 nan 8.190 nan 0.000 0.453 853 S N -0.240 115.312 115.700 -0.247 0.000 2.567 853 S HA 0.639 5.112 4.470 0.006 0.000 0.270 853 S C -1.341 173.227 174.600 -0.053 0.000 1.152 853 S CA -0.687 57.490 58.200 -0.038 0.000 0.835 853 S CB 1.789 65.035 63.200 0.076 0.000 1.115 853 S HN 0.156 nan 8.310 nan 0.000 0.459 854 I N 5.898 126.603 120.570 0.224 0.000 2.291 854 I HA 0.365 4.539 4.170 0.006 0.000 0.292 854 I C 1.257 177.434 176.117 0.100 0.000 1.064 854 I CA 0.490 61.847 61.300 0.094 0.000 1.269 854 I CB -1.118 37.029 38.000 0.246 0.000 1.418 854 I HN 0.847 nan 8.210 nan 0.000 0.485 855 H N 3.876 123.024 119.070 0.131 0.000 1.452 855 H HA -0.247 4.312 4.556 0.006 0.000 0.090 855 H C 1.095 176.575 175.328 0.253 0.000 0.973 855 H CA 1.431 57.634 56.048 0.258 0.000 1.901 855 H CB -0.953 28.823 29.762 0.022 0.000 2.257 855 H HN 0.559 nan 8.280 nan 0.000 0.961 856 S N 0.526 116.422 115.700 0.327 0.000 2.556 856 S HA 0.038 4.512 4.470 0.006 0.000 0.216 856 S C 1.650 176.368 174.600 0.196 0.000 0.970 856 S CA 0.705 59.062 58.200 0.261 0.000 0.912 856 S CB 0.170 63.510 63.200 0.235 0.000 0.790 856 S HN 0.492 nan 8.310 nan 0.000 0.504 857 T N 1.855 116.494 114.554 0.141 0.000 2.737 857 T HA -0.160 4.194 4.350 0.006 0.000 0.269 857 T C 0.929 175.543 174.700 -0.143 0.000 1.040 857 T CA 1.651 63.769 62.100 0.030 0.000 1.142 857 T CB -0.252 68.558 68.868 -0.096 0.000 0.861 857 T HN 0.638 nan 8.240 nan 0.000 0.456 858 H N -1.011 118.172 119.070 0.188 0.000 2.893 858 H HA 0.436 4.996 4.556 0.006 0.000 0.270 858 H C 1.477 176.900 175.328 0.159 0.000 1.095 858 H CA -0.204 55.924 56.048 0.132 0.000 1.186 858 H CB 0.048 29.855 29.762 0.076 0.000 1.562 858 H HN 0.179 nan 8.280 nan 0.000 0.536 859 L N 0.641 122.027 121.223 0.273 0.000 2.376 859 L HA -0.025 4.319 4.340 0.006 0.000 0.219 859 L C 1.165 178.184 176.870 0.249 0.000 1.133 859 L CA 1.443 56.465 54.840 0.303 0.000 0.816 859 L CB -0.032 42.226 42.059 0.332 0.000 0.933 859 L HN 0.382 nan 8.230 nan 0.000 0.449 860 T N -4.761 109.907 114.554 0.190 0.000 3.215 860 T HA 0.086 4.439 4.350 0.006 0.000 0.271 860 T C 0.462 175.225 174.700 0.104 0.000 1.012 860 T CA -0.401 61.767 62.100 0.114 0.000 0.899 860 T CB -0.355 68.563 68.868 0.083 0.000 1.089 860 T HN 0.099 nan 8.240 nan 0.000 0.552 861 N N 0.922 119.701 118.700 0.132 0.000 2.422 861 N HA 0.198 4.941 4.740 0.006 0.000 0.266 861 N C 0.664 176.227 175.510 0.090 0.000 1.007 861 N CA -0.199 52.914 53.050 0.105 0.000 0.941 861 N CB 1.571 40.128 38.487 0.117 0.000 1.115 861 N HN 0.077 nan 8.380 nan 0.000 0.492 862 S N 2.355 118.096 115.700 0.069 0.000 2.353 862 S HA -0.215 4.259 4.470 0.006 0.000 0.222 862 S C 1.513 176.143 174.600 0.050 0.000 1.035 862 S CA 1.269 59.496 58.200 0.045 0.000 1.025 862 S CB -0.520 62.709 63.200 0.048 0.000 0.902 862 S HN 0.764 nan 8.310 nan 0.000 0.440 863 H N 0.952 120.018 119.070 -0.006 0.000 2.319 863 H HA 0.011 4.571 4.556 0.006 0.000 0.299 863 H C 1.876 177.193 175.328 -0.018 0.000 1.092 863 H CA 1.735 57.776 56.048 -0.011 0.000 1.302 863 H CB -0.254 29.504 29.762 -0.007 0.000 1.373 863 H HN 0.249 nan 8.280 nan 0.000 0.497 864 L N -0.778 120.525 121.223 0.133 0.000 2.240 864 L HA -0.066 4.277 4.340 0.006 0.000 0.211 864 L C 2.391 179.281 176.870 0.034 0.000 1.106 864 L CA 0.851 55.745 54.840 0.091 0.000 0.793 864 L CB -0.088 42.053 42.059 0.135 0.000 0.927 864 L HN 0.234 nan 8.230 nan 0.000 0.446 865 S N -0.366 115.322 115.700 -0.020 0.000 2.453 865 S HA -0.054 4.420 4.470 0.006 0.000 0.231 865 S C 1.804 176.104 174.600 -0.501 0.000 1.005 865 S CA 0.685 58.722 58.200 -0.271 0.000 0.949 865 S CB -0.133 63.001 63.200 -0.112 0.000 0.774 865 S HN 0.370 nan 8.310 nan 0.000 0.510 866 R N 0.764 121.102 120.500 -0.270 0.000 2.339 866 R HA 0.174 4.518 4.340 0.006 0.000 0.199 866 R C 1.159 177.341 176.300 -0.197 0.000 1.018 866 R CA 0.369 56.327 56.100 -0.237 0.000 1.036 866 R CB -0.255 29.927 30.300 -0.197 0.000 0.899 866 R HN 0.377 nan 8.270 nan 0.000 0.473 867 L N -0.014 121.113 121.223 -0.159 0.000 2.599 867 L HA 0.018 4.362 4.340 0.006 0.000 0.230 867 L C 0.466 177.370 176.870 0.056 0.000 1.141 867 L CA 0.362 55.179 54.840 -0.039 0.000 0.877 867 L CB -0.430 41.642 42.059 0.021 0.000 1.009 867 L HN 0.366 nan 8.230 nan 0.000 0.447 868 H N -5.014 114.046 119.070 -0.015 0.000 3.161 868 H HA 0.396 4.955 4.556 0.005 0.000 0.285 868 H C 0.446 175.773 175.328 -0.001 0.000 1.588 868 H CA -0.996 55.061 56.048 0.014 0.000 1.218 868 H CB 0.481 30.289 29.762 0.076 0.000 1.841 868 H HN -0.311 nan 8.280 nan 0.000 0.623 869 R N -0.137 120.453 120.500 0.151 0.000 2.316 869 R HA 0.154 4.498 4.340 0.006 0.000 0.202 869 R C 0.485 176.732 176.300 -0.087 0.000 1.029 869 R CA 0.766 56.868 56.100 0.004 0.000 1.018 869 R CB -0.060 30.245 30.300 0.007 0.000 0.888 869 R HN 0.971 nan 8.270 nan 0.000 0.471 870 G N 1.628 110.349 108.800 -0.133 0.000 2.136 870 G HA2 -0.298 3.666 3.960 0.006 0.000 0.242 870 G HA3 -0.298 3.666 3.960 0.006 0.000 0.242 870 G C -0.120 174.698 174.900 -0.138 0.000 0.989 870 G CA 0.650 45.615 45.100 -0.224 0.000 0.682 870 G HN 0.509 nan 8.290 nan 0.000 0.522 871 Q N -1.914 117.723 119.800 -0.272 0.000 2.630 871 Q HA 0.620 4.963 4.340 0.006 0.000 0.295 871 Q C -3.424 171.849 176.000 -1.212 0.000 0.944 871 Q CA -2.178 53.294 55.803 -0.552 0.000 0.766 871 Q CB 1.251 29.779 28.738 -0.350 0.000 1.471 871 Q HN 0.091 nan 8.270 nan 0.000 0.416 872 P HA 0.151 nan 4.420 nan 0.000 0.268 872 P C -1.072 175.756 177.300 -0.787 0.000 1.205 872 P CA -0.045 61.950 63.100 -1.841 0.000 0.771 872 P CB 0.710 31.524 31.700 -1.478 0.000 0.858 873 V N 3.995 123.716 119.914 -0.322 0.000 2.760 873 V HA 0.328 4.452 4.120 0.006 0.000 0.309 873 V C -0.381 175.856 176.094 0.238 0.000 1.077 873 V CA -0.787 61.541 62.300 0.046 0.000 0.910 873 V CB 2.534 34.457 31.823 0.167 0.000 1.008 873 V HN 0.275 nan 8.190 nan 0.000 0.424 874 V N 4.854 124.855 119.914 0.144 0.000 2.398 874 V HA 0.512 4.636 4.120 0.006 0.000 0.286 874 V C -0.207 176.007 176.094 0.199 0.000 1.026 874 V CA -0.231 62.154 62.300 0.142 0.000 0.868 874 V CB 1.146 32.987 31.823 0.030 0.000 0.982 874 V HN 0.922 nan 8.190 nan 0.000 0.443 875 H N 7.387 126.465 119.070 0.012 0.000 2.620 875 H HA 0.455 5.014 4.556 0.006 0.000 0.313 875 H C -0.348 174.983 175.328 0.005 0.000 1.075 875 H CA -0.412 55.657 56.048 0.036 0.000 1.397 875 H CB 1.206 31.010 29.762 0.069 0.000 1.446 875 H HN 0.527 nan 8.280 nan 0.000 0.493 876 M N 2.319 121.988 119.600 0.115 0.000 2.535 876 M HA 0.149 4.632 4.480 0.006 0.000 0.314 876 M C 0.262 176.628 176.300 0.110 0.000 1.153 876 M CA -0.855 54.494 55.300 0.083 0.000 0.924 876 M CB 2.255 34.867 32.600 0.020 0.000 1.710 876 M HN 0.583 nan 8.290 nan 0.000 0.451 877 N N 0.803 119.587 118.700 0.141 0.000 2.412 877 N HA 0.002 4.746 4.740 0.006 0.000 0.254 877 N C 0.296 175.867 175.510 0.103 0.000 1.232 877 N CA 0.391 53.516 53.050 0.125 0.000 0.880 877 N CB 0.997 39.566 38.487 0.136 0.000 1.076 877 N HN 0.647 nan 8.380 nan 0.000 0.458 878 S N 3.815 119.562 115.700 0.078 0.000 2.370 878 S HA -0.177 4.297 4.470 0.006 0.000 0.226 878 S C 1.679 176.317 174.600 0.064 0.000 1.033 878 S CA 1.182 59.418 58.200 0.061 0.000 1.011 878 S CB -0.069 63.159 63.200 0.046 0.000 0.852 878 S HN 0.691 nan 8.310 nan 0.000 0.457 879 K N 0.927 121.366 120.400 0.065 0.000 2.057 879 K HA -0.130 4.194 4.320 0.006 0.000 0.206 879 K C 1.418 178.069 176.600 0.084 0.000 1.050 879 K CA 1.446 57.770 56.287 0.062 0.000 0.935 879 K CB -0.147 32.381 32.500 0.048 0.000 0.715 879 K HN 0.131 nan 8.250 nan 0.000 0.439 880 D N 0.635 121.106 120.400 0.119 0.000 2.133 880 D HA -0.193 4.451 4.640 0.006 0.000 0.195 880 D C 1.735 178.143 176.300 0.180 0.000 0.997 880 D CA 1.539 55.653 54.000 0.189 0.000 0.840 880 D CB -0.219 40.779 40.800 0.331 0.000 0.947 880 D HN 0.372 nan 8.370 nan 0.000 0.452 881 A N 0.943 123.838 122.820 0.127 0.000 1.873 881 A HA 0.012 4.335 4.320 0.006 0.000 0.215 881 A C 2.340 179.969 177.584 0.075 0.000 1.186 881 A CA 2.195 54.283 52.037 0.085 0.000 0.616 881 A CB -0.796 18.236 19.000 0.054 0.000 0.823 881 A HN 0.230 nan 8.150 nan 0.000 0.442 882 A N 0.028 122.888 122.820 0.066 0.000 1.908 882 A HA -0.222 4.101 4.320 0.006 0.000 0.218 882 A C 1.872 179.492 177.584 0.059 0.000 1.181 882 A CA 1.779 53.848 52.037 0.054 0.000 0.627 882 A CB -0.617 18.410 19.000 0.045 0.000 0.818 882 A HN 0.652 nan 8.150 nan 0.000 0.445 883 E N -0.600 119.644 120.200 0.072 0.000 2.268 883 E HA -0.061 4.292 4.350 0.006 0.000 0.195 883 E C 1.276 177.926 176.600 0.083 0.000 0.995 883 E CA 0.718 57.161 56.400 0.072 0.000 0.836 883 E CB -0.169 29.575 29.700 0.073 0.000 0.763 883 E HN 0.622 nan 8.360 nan 0.000 0.491 884 L N -0.501 120.782 121.223 0.100 0.000 2.607 884 L HA 0.196 4.540 4.340 0.006 0.000 0.228 884 L C 1.094 178.009 176.870 0.075 0.000 1.123 884 L CA 0.124 55.026 54.840 0.102 0.000 0.890 884 L CB 0.377 42.512 42.059 0.127 0.000 1.103 884 L HN 0.210 nan 8.230 nan 0.000 0.468 885 G N 1.094 109.931 108.800 0.061 0.000 2.160 885 G HA2 -0.272 3.692 3.960 0.006 0.000 0.244 885 G HA3 -0.272 3.692 3.960 0.006 0.000 0.244 885 G C 0.027 174.952 174.900 0.041 0.000 1.022 885 G CA -0.113 45.015 45.100 0.047 0.000 0.741 885 G HN 0.295 nan 8.290 nan 0.000 0.508 886 I N -0.036 120.559 120.570 0.043 0.000 2.404 886 I HA 0.462 4.635 4.170 0.006 0.000 0.293 886 I C 0.416 176.549 176.117 0.027 0.000 0.992 886 I CA -0.745 60.575 61.300 0.033 0.000 1.149 886 I CB 1.713 39.731 38.000 0.032 0.000 1.315 886 I HN -0.041 nan 8.210 nan 0.000 0.446 887 K N 3.106 123.517 120.400 0.019 0.000 2.221 887 K HA 0.297 4.620 4.320 0.006 0.000 0.243 887 K C -0.892 175.712 176.600 0.006 0.000 0.968 887 K CA -0.964 55.331 56.287 0.014 0.000 0.846 887 K CB 1.221 33.728 32.500 0.012 0.000 1.141 887 K HN 0.440 nan 8.250 nan 0.000 0.434 888 D N 0.159 120.561 120.400 0.003 0.000 2.533 888 D HA 0.046 4.689 4.640 0.006 0.000 0.236 888 D C 1.004 177.298 176.300 -0.010 0.000 1.137 888 D CA 2.348 56.343 54.000 -0.007 0.000 0.867 888 D CB 0.322 41.117 40.800 -0.008 0.000 1.170 888 D HN 0.661 nan 8.370 nan 0.000 0.474 889 G N 3.158 111.948 108.800 -0.018 0.000 2.225 889 G HA2 -0.265 3.698 3.960 0.006 0.000 0.254 889 G HA3 -0.265 3.698 3.960 0.006 0.000 0.254 889 G C 0.256 175.147 174.900 -0.015 0.000 0.988 889 G CA 0.197 45.285 45.100 -0.020 0.000 0.625 889 G HN 0.644 nan 8.290 nan 0.000 0.527 890 D N 1.173 121.568 120.400 -0.007 0.000 2.378 890 D HA 0.414 5.058 4.640 0.006 0.000 0.238 890 D C 1.359 177.657 176.300 -0.003 0.000 1.180 890 D CA 0.236 54.235 54.000 -0.001 0.000 0.895 890 D CB 0.316 41.120 40.800 0.007 0.000 1.192 890 D HN 0.115 nan 8.370 nan 0.000 0.438 891 M N 0.604 120.205 119.600 0.003 0.000 2.288 891 M HA 0.531 5.015 4.480 0.006 0.000 0.334 891 M C 0.036 176.349 176.300 0.021 0.000 1.150 891 M CA -0.634 54.672 55.300 0.009 0.000 1.118 891 M CB 0.940 33.548 32.600 0.014 0.000 1.501 891 M HN 0.354 nan 8.290 nan 0.000 0.462 892 A N 2.228 125.067 122.820 0.032 0.000 2.498 892 A HA 0.751 5.074 4.320 0.006 0.000 0.298 892 A C -0.835 176.793 177.584 0.073 0.000 1.075 892 A CA -0.901 51.163 52.037 0.044 0.000 0.714 892 A CB 1.618 20.629 19.000 0.018 0.000 1.299 892 A HN 0.621 nan 8.150 nan 0.000 0.407 893 K N 1.122 121.584 120.400 0.104 0.000 2.201 893 K HA 0.542 4.866 4.320 0.006 0.000 0.278 893 K C -1.213 175.519 176.600 0.221 0.000 1.027 893 K CA -0.444 55.937 56.287 0.157 0.000 0.909 893 K CB 1.193 33.778 32.500 0.140 0.000 1.062 893 K HN 0.432 nan 8.250 nan 0.000 0.465 894 L N 4.615 125.952 121.223 0.190 0.000 2.309 894 L HA 0.556 4.900 4.340 0.006 0.000 0.282 894 L C -0.311 176.701 176.870 0.236 0.000 1.036 894 L CA -0.344 54.577 54.840 0.134 0.000 0.806 894 L CB 0.203 42.312 42.059 0.083 0.000 1.220 894 L HN 0.554 nan 8.230 nan 0.000 0.429 895 F N 1.149 121.066 119.950 -0.056 0.000 2.713 895 F HA 0.811 5.345 4.527 0.010 0.000 0.311 895 F C -0.692 174.943 175.800 -0.275 0.000 1.141 895 F CA -1.155 56.786 58.000 -0.099 0.000 0.939 895 F CB 1.469 40.433 39.000 -0.060 0.000 1.325 895 F HN 0.516 nan 8.300 nan 0.000 0.453 896 N N -1.195 117.405 118.700 -0.166 0.000 3.506 896 N HA 0.296 5.040 4.740 0.006 0.000 0.331 896 N C -0.517 175.020 175.510 0.045 0.000 1.631 896 N CA -0.558 52.188 53.050 -0.508 0.000 0.786 896 N CB -0.031 38.227 38.487 -0.381 0.000 2.023 896 N HN 0.461 nan 8.380 nan 0.000 0.621 897 D N -1.095 119.465 120.400 0.267 0.000 2.350 897 D HA 0.032 4.675 4.640 0.006 0.000 0.216 897 D C 0.589 177.119 176.300 0.383 0.000 0.968 897 D CA 0.736 54.983 54.000 0.411 0.000 0.894 897 D CB -0.162 40.969 40.800 0.552 0.000 0.909 897 D HN 0.399 nan 8.370 nan 0.000 0.520 898 F N -0.048 119.982 119.950 0.133 0.000 2.453 898 F HA 0.426 4.957 4.527 0.007 0.000 0.284 898 F C 0.569 176.399 175.800 0.049 0.000 1.065 898 F CA 0.527 58.592 58.000 0.108 0.000 1.411 898 F CB 0.419 39.426 39.000 0.011 0.000 1.131 898 F HN -0.105 nan 8.300 nan 0.000 0.582 899 A N -0.468 122.362 122.820 0.017 0.000 2.506 899 A HA 0.539 4.863 4.320 0.006 0.000 0.305 899 A C -1.903 175.715 177.584 0.057 0.000 1.166 899 A CA -0.127 51.861 52.037 -0.082 0.000 0.638 899 A CB 0.498 19.426 19.000 -0.120 0.000 1.336 899 A HN 0.246 nan 8.150 nan 0.000 0.493 900 D N -1.606 118.820 120.400 0.043 0.000 2.599 900 D HA 0.616 5.259 4.640 0.006 0.000 0.252 900 D C -0.576 175.772 176.300 0.081 0.000 1.232 900 D CA 0.283 54.346 54.000 0.105 0.000 0.819 900 D CB 1.319 42.177 40.800 0.096 0.000 1.401 900 D HN 1.688 nan 8.370 nan 0.000 0.429 901 C N -1.350 118.022 119.300 0.120 0.000 3.318 901 C HA 0.856 5.319 4.460 0.006 0.000 0.322 901 C C -0.976 174.113 174.990 0.165 0.000 1.398 901 C CA -0.774 58.322 59.018 0.128 0.000 1.339 901 C CB 1.244 29.053 27.740 0.114 0.000 1.668 901 C HN 0.866 nan 8.230 nan 0.000 0.462 902 E N 0.519 120.838 120.200 0.198 0.000 2.222 902 E HA 0.834 5.187 4.350 0.006 0.000 0.267 902 E C -1.659 175.061 176.600 0.201 0.000 0.884 902 E CA -0.617 55.882 56.400 0.165 0.000 0.764 902 E CB 1.879 31.653 29.700 0.123 0.000 1.169 902 E HN 0.794 nan 8.360 nan 0.000 0.413 903 I N 3.854 124.498 120.570 0.124 0.000 2.841 903 I HA 0.269 4.443 4.170 0.006 0.000 0.298 903 I C -1.003 175.118 176.117 0.007 0.000 1.304 903 I CA -0.962 60.378 61.300 0.067 0.000 1.019 903 I CB 1.921 40.001 38.000 0.134 0.000 1.282 903 I HN 0.742 nan 8.210 nan 0.000 0.432 904 M N 6.496 126.064 119.600 -0.054 0.000 2.238 904 M HA 0.385 4.869 4.480 0.006 0.000 0.347 904 M C -1.508 174.776 176.300 -0.027 0.000 1.173 904 M CA -0.073 55.197 55.300 -0.050 0.000 1.147 904 M CB 1.003 33.550 32.600 -0.088 0.000 1.547 904 M HN 0.389 nan 8.290 nan 0.000 0.455 905 V N 5.588 125.490 119.914 -0.020 0.000 2.427 905 V HA 0.444 4.568 4.120 0.006 0.000 0.286 905 V C -0.128 175.948 176.094 -0.031 0.000 1.034 905 V CA -0.611 61.680 62.300 -0.014 0.000 0.893 905 V CB 1.404 33.221 31.823 -0.011 0.000 0.982 905 V HN 0.878 nan 8.190 nan 0.000 0.452 906 R N 3.143 123.613 120.500 -0.050 0.000 2.338 906 R HA 0.570 4.914 4.340 0.006 0.000 0.317 906 R C -0.186 176.073 176.300 -0.069 0.000 0.968 906 R CA -0.316 55.718 56.100 -0.109 0.000 0.849 906 R CB 1.396 31.516 30.300 -0.300 0.000 1.128 906 R HN 0.849 nan 8.270 nan 0.000 0.448 907 T N 1.179 115.712 114.554 -0.035 0.000 2.837 907 T HA 0.774 5.127 4.350 0.006 0.000 0.285 907 T C -0.364 174.343 174.700 0.012 0.000 0.984 907 T CA -0.709 61.394 62.100 0.005 0.000 1.049 907 T CB 1.764 70.643 68.868 0.017 0.000 0.947 907 T HN 0.649 nan 8.240 nan 0.000 0.472 908 A N 4.064 126.913 122.820 0.048 0.000 2.520 908 A HA 0.751 5.075 4.320 0.006 0.000 0.298 908 A C -2.423 175.211 177.584 0.084 0.000 1.051 908 A CA -1.760 50.318 52.037 0.068 0.000 0.690 908 A CB 1.587 20.645 19.000 0.096 0.000 1.281 908 A HN 0.537 nan 8.150 nan 0.000 0.402 909 P HA -0.081 nan 4.420 nan 0.000 0.230 909 P C 0.576 177.929 177.300 0.087 0.000 1.158 909 P CA 1.251 64.391 63.100 0.066 0.000 0.769 909 P CB -0.081 31.644 31.700 0.041 0.000 0.807 910 N N -0.872 117.906 118.700 0.130 0.000 2.398 910 N HA 0.002 4.746 4.740 0.006 0.000 0.188 910 N C 0.127 175.741 175.510 0.173 0.000 1.122 910 N CA 0.052 53.211 53.050 0.182 0.000 0.866 910 N CB -0.948 37.701 38.487 0.269 0.000 0.970 910 N HN -0.096 nan 8.380 nan 0.000 0.462 911 V N 1.338 121.343 119.914 0.151 0.000 2.530 911 V HA 0.084 4.207 4.120 0.006 0.000 0.282 911 V C 0.582 176.754 176.094 0.129 0.000 1.048 911 V CA -0.741 61.644 62.300 0.142 0.000 0.997 911 V CB 1.090 33.002 31.823 0.148 0.000 0.987 911 V HN 0.358 nan 8.190 nan 0.000 0.477 912 Q N 5.988 125.864 119.800 0.126 0.000 2.337 912 Q HA 0.141 4.484 4.340 0.006 0.000 0.270 912 Q C -2.349 173.711 176.000 0.100 0.000 1.002 912 Q CA -1.365 54.503 55.803 0.108 0.000 0.888 912 Q CB 0.827 29.624 28.738 0.099 0.000 1.222 912 Q HN 0.465 nan 8.270 nan 0.000 0.400 913 P HA -0.126 nan 4.420 nan 0.000 0.262 913 P C -0.903 176.410 177.300 0.022 0.000 1.182 913 P CA 0.570 63.702 63.100 0.054 0.000 0.761 913 P CB 0.440 32.150 31.700 0.016 0.000 0.795 914 K N -0.709 119.693 120.400 0.003 0.000 3.407 914 K HA -0.229 4.095 4.320 0.006 0.000 0.312 914 K C 0.225 176.889 176.600 0.106 0.000 1.302 914 K CA 0.982 57.164 56.287 -0.175 0.000 0.931 914 K CB -2.006 30.320 32.500 -0.289 0.000 1.257 914 K HN 0.664 nan 8.250 nan 0.000 0.454 915 Q N 0.567 120.487 119.800 0.199 0.000 2.222 915 Q HA 0.486 4.830 4.340 0.006 0.000 0.252 915 Q C -0.179 175.983 176.000 0.271 0.000 0.926 915 Q CA -0.333 55.591 55.803 0.202 0.000 0.899 915 Q CB 1.506 30.316 28.738 0.121 0.000 1.250 915 Q HN 0.434 nan 8.270 nan 0.000 0.441 916 C N 1.755 121.156 119.300 0.168 0.000 2.994 916 C HA 0.838 5.302 4.460 0.006 0.000 0.304 916 C C -0.720 174.245 174.990 -0.041 0.000 1.273 916 C CA -1.003 58.041 59.018 0.042 0.000 1.537 916 C CB 0.332 28.018 27.740 -0.091 0.000 2.001 916 C HN 0.841 nan 8.230 nan 0.000 0.471 917 I N 1.558 122.062 120.570 -0.111 0.000 2.533 917 I HA 0.610 4.784 4.170 0.006 0.000 0.290 917 I C -0.934 174.961 176.117 -0.371 0.000 1.056 917 I CA -0.635 60.484 61.300 -0.303 0.000 1.057 917 I CB 2.144 39.867 38.000 -0.462 0.000 1.240 917 I HN 0.558 nan 8.210 nan 0.000 0.423 918 V N 6.093 125.684 119.914 -0.538 0.000 2.447 918 V HA 0.329 4.453 4.120 0.006 0.000 0.292 918 V C -0.835 174.970 176.094 -0.482 0.000 1.021 918 V CA -0.727 61.274 62.300 -0.498 0.000 0.850 918 V CB 1.115 32.437 31.823 -0.836 0.000 1.005 918 V HN 0.407 nan 8.190 nan 0.000 0.426 919 Y N 4.794 124.991 120.300 -0.172 0.000 2.359 919 Y HA 0.428 4.981 4.550 0.006 0.000 0.330 919 Y C 0.639 176.262 175.900 -0.462 0.000 1.143 919 Y CA -0.540 57.400 58.100 -0.267 0.000 1.318 919 Y CB 0.350 38.636 38.460 -0.291 0.000 1.234 919 Y HN 0.692 nan 8.280 nan 0.000 0.522 920 F N 0.307 120.181 119.950 -0.127 0.000 2.490 920 F HA 0.505 5.035 4.527 0.005 0.000 0.336 920 F C -0.870 174.680 175.800 -0.417 0.000 1.178 920 F CA -1.728 56.246 58.000 -0.043 0.000 1.301 920 F CB 0.303 39.387 39.000 0.140 0.000 1.175 920 F HN 0.364 nan 8.300 nan 0.000 0.593 921 W N 0.318 121.999 121.300 0.636 0.000 3.031 921 W HA 0.336 5.000 4.660 0.007 0.000 0.337 921 W C -0.706 176.109 176.519 0.492 0.000 1.187 921 W CA -0.800 56.807 57.345 0.436 0.000 1.166 921 W CB 0.989 30.568 29.460 0.198 0.000 1.437 921 W HN 0.494 nan 8.180 nan 0.000 0.551 922 D N 0.384 121.157 120.400 0.622 0.000 2.372 922 D HA 0.264 4.907 4.640 0.006 0.000 0.243 922 D C 1.068 177.681 176.300 0.522 0.000 1.121 922 D CA 0.430 54.703 54.000 0.456 0.000 0.898 922 D CB 1.975 43.018 40.800 0.405 0.000 1.202 922 D HN 0.457 nan 8.370 nan 0.000 0.428 923 A N 3.253 126.268 122.820 0.325 0.000 1.972 923 A HA -0.213 4.110 4.320 0.006 0.000 0.219 923 A C 1.458 179.215 177.584 0.288 0.000 1.169 923 A CA 1.593 53.818 52.037 0.312 0.000 0.635 923 A CB -0.794 18.299 19.000 0.156 0.000 0.810 923 A HN 0.746 nan 8.150 nan 0.000 0.446 924 H N -0.484 118.435 119.070 -0.251 0.000 2.547 924 H HA 0.233 4.792 4.556 0.005 0.000 0.274 924 H C 1.040 176.162 175.328 -0.344 0.000 1.024 924 H CA 0.611 56.121 56.048 -0.898 0.000 1.155 924 H CB -0.957 27.774 29.762 -1.717 0.000 1.344 924 H HN 0.620 nan 8.280 nan 0.000 0.598 925 Q N -0.189 119.676 119.800 0.109 0.000 2.403 925 Q HA 0.112 4.456 4.340 0.006 0.000 0.203 925 Q C -0.536 175.421 176.000 -0.072 0.000 0.932 925 Q CA 0.130 55.912 55.803 -0.035 0.000 0.945 925 Q CB 0.358 29.068 28.738 -0.046 0.000 1.045 925 Q HN 0.440 nan 8.270 nan 0.000 0.511 926 Y N 0.652 120.999 120.300 0.077 0.000 2.487 926 Y HA 0.273 4.826 4.550 0.004 0.000 0.337 926 Y C 0.104 176.125 175.900 0.201 0.000 1.076 926 Y CA -1.247 56.926 58.100 0.122 0.000 1.115 926 Y CB 0.975 39.539 38.460 0.175 0.000 1.235 926 Y HN -0.272 nan 8.280 nan 0.000 0.468 927 K N 1.092 121.691 120.400 0.331 0.000 2.472 927 K HA 0.195 4.518 4.320 0.006 0.000 0.280 927 K C 0.917 177.700 176.600 0.306 0.000 1.028 927 K CA 1.124 57.573 56.287 0.271 0.000 1.045 927 K CB -0.049 32.554 32.500 0.173 0.000 0.902 927 K HN 1.020 nan 8.250 nan 0.000 0.478 928 G N 3.297 112.278 108.800 0.301 0.000 2.168 928 G HA2 -0.244 3.720 3.960 0.006 0.000 0.263 928 G HA3 -0.244 3.720 3.960 0.006 0.000 0.263 928 G C -0.387 174.733 174.900 0.367 0.000 0.977 928 G CA 0.122 45.352 45.100 0.216 0.000 0.659 928 G HN 0.783 nan 8.290 nan 0.000 0.533 929 W N -0.858 120.556 121.300 0.191 0.000 5.538 929 W HA -0.174 4.489 4.660 0.005 0.000 0.377 929 W C 0.574 177.164 176.519 0.119 0.000 1.406 929 W CA 0.645 58.127 57.345 0.227 0.000 0.940 929 W CB -2.117 27.497 29.460 0.257 0.000 2.536 929 W HN 0.530 nan 8.180 nan 0.000 1.504 930 K N 1.472 122.019 120.400 0.245 0.000 2.299 930 K HA 0.282 4.605 4.320 0.006 0.000 0.268 930 K C -1.547 174.851 176.600 -0.336 0.000 1.075 930 K CA -1.561 54.742 56.287 0.026 0.000 0.936 930 K CB 1.523 34.053 32.500 0.050 0.000 1.228 930 K HN -0.228 nan 8.250 nan 0.000 0.454 931 P HA -0.038 nan 4.420 nan 0.000 0.278 931 P C 0.216 177.185 177.300 -0.553 0.000 1.266 931 P CA -0.427 61.888 63.100 -1.308 0.000 0.807 931 P CB 0.518 31.899 31.700 -0.531 0.000 1.094 932 Y N 0.637 120.710 120.300 -0.379 0.000 2.315 932 Y HA -0.233 4.320 4.550 0.005 0.000 0.288 932 Y C 1.192 177.085 175.900 -0.011 0.000 1.154 932 Y CA 1.965 60.060 58.100 -0.008 0.000 1.229 932 Y CB -1.705 36.872 38.460 0.194 0.000 0.980 932 Y HN 0.187 nan 8.280 nan 0.000 0.540 933 D N 1.148 121.252 120.400 -0.495 0.000 2.265 933 D HA -0.202 4.442 4.640 0.006 0.000 0.208 933 D C 2.033 178.185 176.300 -0.246 0.000 0.977 933 D CA 1.568 55.256 54.000 -0.520 0.000 0.871 933 D CB -0.364 40.218 40.800 -0.364 0.000 0.925 933 D HN 0.600 nan 8.370 nan 0.000 0.485 934 I N 0.611 121.098 120.570 -0.139 0.000 2.335 934 I HA -0.229 3.945 4.170 0.006 0.000 0.251 934 I C 1.006 177.190 176.117 0.112 0.000 1.129 934 I CA 1.075 62.373 61.300 -0.004 0.000 1.402 934 I CB 0.176 38.176 38.000 -0.000 0.000 1.069 934 I HN 0.049 nan 8.210 nan 0.000 0.424 935 L N -1.988 119.255 121.223 0.032 0.000 2.653 935 L HA 0.259 4.602 4.340 0.006 0.000 0.231 935 L C 1.234 178.042 176.870 -0.103 0.000 1.153 935 L CA 0.725 55.613 54.840 0.081 0.000 0.933 935 L CB -0.567 41.533 42.059 0.067 0.000 1.175 935 L HN 0.049 nan 8.230 nan 0.000 0.473 936 L N -0.747 120.375 121.223 -0.169 0.000 2.513 936 L HA 0.163 4.507 4.340 0.006 0.000 0.222 936 L C 1.239 177.990 176.870 -0.198 0.000 1.096 936 L CA -0.235 54.486 54.840 -0.198 0.000 0.857 936 L CB 0.025 41.940 42.059 -0.240 0.000 1.026 936 L HN 0.148 nan 8.230 nan 0.000 0.469 937 I N -0.373 120.058 120.570 -0.232 0.000 4.381 937 I HA -0.352 3.822 4.170 0.006 0.000 0.070 937 I C 1.378 177.587 176.117 0.154 0.000 0.586 937 I CA 1.538 62.725 61.300 -0.187 0.000 1.055 937 I CB -2.172 35.637 38.000 -0.318 0.000 0.943 937 I HN 0.417 nan 8.210 nan 0.000 0.171 938 G N 1.225 110.044 108.800 0.032 0.000 2.204 938 G HA2 -0.246 3.718 3.960 0.006 0.000 0.244 938 G HA3 -0.246 3.718 3.960 0.006 0.000 0.244 938 G C 0.165 174.900 174.900 -0.275 0.000 1.062 938 G CA 0.389 45.468 45.100 -0.035 0.000 0.798 938 G HN 0.352 nan 8.290 nan 0.000 0.496 939 M N 0.536 120.009 119.600 -0.211 0.000 2.390 939 M HA 0.137 4.621 4.480 0.006 0.000 0.353 939 M C -2.054 173.834 176.300 -0.687 0.000 1.623 939 M CA -1.293 53.771 55.300 -0.394 0.000 1.065 939 M CB -0.445 32.200 32.600 0.075 0.000 2.025 939 M HN 0.085 nan 8.290 nan 0.000 0.461 940 P HA 0.218 nan 4.420 nan 0.000 0.278 940 P C -0.600 176.271 177.300 -0.714 0.000 1.238 940 P CA -0.549 61.990 63.100 -0.935 0.000 0.794 940 P CB 0.667 31.669 31.700 -1.163 0.000 0.955 941 K N 4.771 124.679 120.400 -0.820 0.000 2.363 941 K HA 0.115 4.438 4.320 0.006 0.000 0.289 941 K C -1.710 174.590 176.600 -0.499 0.000 1.063 941 K CA -1.370 54.353 56.287 -0.940 0.000 0.967 941 K CB 0.021 31.781 32.500 -1.233 0.000 0.987 941 K HN 0.248 nan 8.250 nan 0.000 0.473 942 P HA -0.163 nan 4.420 nan 0.000 0.219 942 P C 0.616 177.692 177.300 -0.372 0.000 1.146 942 P CA 1.053 63.973 63.100 -0.300 0.000 0.808 942 P CB 0.174 31.590 31.700 -0.473 0.000 0.779 943 L N -1.552 119.423 121.223 -0.412 0.000 2.275 943 L HA -0.153 4.191 4.340 0.006 0.000 0.215 943 L C 1.864 178.792 176.870 0.096 0.000 1.119 943 L CA 1.173 55.894 54.840 -0.199 0.000 0.790 943 L CB -1.024 40.749 42.059 -0.475 0.000 0.919 943 L HN 0.242 nan 8.230 nan 0.000 0.443 944 H N -0.607 118.415 119.070 -0.080 0.000 2.553 944 H HA 0.044 4.603 4.556 0.006 0.000 0.269 944 H C 1.725 177.133 175.328 0.132 0.000 1.011 944 H CA -0.215 55.832 56.048 -0.002 0.000 1.150 944 H CB 0.273 30.024 29.762 -0.018 0.000 1.339 944 H HN 0.344 nan 8.280 nan 0.000 0.604 945 L N 0.484 121.902 121.223 0.325 0.000 2.558 945 L HA 0.167 4.510 4.340 0.006 0.000 0.225 945 L C 1.262 178.431 176.870 0.499 0.000 1.128 945 L CA -0.478 54.699 54.840 0.561 0.000 0.868 945 L CB 0.152 42.465 42.059 0.424 0.000 1.006 945 L HN 0.185 nan 8.230 nan 0.000 0.454 946 A N 0.106 122.894 122.820 -0.053 0.000 2.462 946 A HA 0.509 4.832 4.320 0.006 0.000 0.243 946 A C 0.588 177.672 177.584 -0.833 0.000 1.076 946 A CA 0.575 52.122 52.037 -0.816 0.000 0.773 946 A CB 0.141 18.483 19.000 -1.098 0.000 1.010 946 A HN 0.270 nan 8.150 nan 0.000 0.493 947 G N -0.680 107.056 108.800 -1.773 0.000 3.243 947 G HA2 0.602 4.566 3.960 0.006 0.000 0.248 947 G HA3 0.602 4.566 3.960 0.006 0.000 0.248 947 G C 0.705 174.633 174.900 -1.620 0.000 1.267 947 G CA -0.103 43.958 45.100 -1.733 0.000 0.906 947 G HN 2.186 nan 8.290 nan 0.000 0.592 948 G N -1.758 106.430 108.800 -1.020 0.000 2.249 948 G HA2 -0.125 3.839 3.960 0.006 0.000 0.273 948 G HA3 -0.125 3.839 3.960 0.006 0.000 0.273 948 G C -0.363 174.508 174.900 -0.049 0.000 1.036 948 G CA 1.215 46.164 45.100 -0.252 0.000 0.824 948 G HN 1.290 nan 8.290 nan 0.000 0.504 949 Y N -1.616 118.475 120.300 -0.348 0.000 2.480 949 Y HA 0.428 4.981 4.550 0.006 0.000 0.329 949 Y C 0.928 176.587 175.900 -0.402 0.000 1.127 949 Y CA -0.380 57.449 58.100 -0.451 0.000 1.037 949 Y CB 1.120 39.050 38.460 -0.884 0.000 1.320 949 Y HN 0.143 nan 8.280 nan 0.000 0.446 950 E N 1.795 121.735 120.200 -0.434 0.000 2.086 950 E HA -0.277 4.076 4.350 0.006 0.000 0.205 950 E C 1.416 177.860 176.600 -0.261 0.000 1.027 950 E CA 2.628 58.856 56.400 -0.286 0.000 0.830 950 E CB 0.185 29.722 29.700 -0.272 0.000 0.751 950 E HN 0.720 nan 8.360 nan 0.000 0.456 951 Q N -0.451 119.131 119.800 -0.363 0.000 2.403 951 Q HA -0.019 4.325 4.340 0.006 0.000 0.203 951 Q C -0.410 175.529 176.000 -0.101 0.000 0.932 951 Q CA 0.128 55.744 55.803 -0.311 0.000 0.945 951 Q CB 0.251 28.803 28.738 -0.310 0.000 1.045 951 Q HN 0.157 nan 8.270 nan 0.000 0.511 952 F N 3.687 123.492 119.950 -0.242 0.000 2.368 952 F HA 0.449 4.980 4.527 0.006 0.000 0.362 952 F C 0.670 176.365 175.800 -0.174 0.000 1.137 952 F CA -0.980 56.870 58.000 -0.250 0.000 1.161 952 F CB 0.196 38.925 39.000 -0.452 0.000 1.265 952 F HN 0.121 nan 8.300 nan 0.000 0.530 953 R N 1.883 122.508 120.500 0.208 0.000 2.741 953 R HA 0.482 4.825 4.340 0.006 0.000 0.276 953 R C -2.485 174.023 176.300 0.346 0.000 1.028 953 R CA -0.992 55.207 56.100 0.165 0.000 0.865 953 R CB 1.914 32.314 30.300 0.167 0.000 1.268 953 R HN 0.280 nan 8.270 nan 0.000 0.475 954 Y N 1.692 122.070 120.300 0.131 0.000 2.391 954 Y HA 0.611 5.164 4.550 0.006 0.000 0.341 954 Y C -1.648 174.417 175.900 0.275 0.000 0.965 954 Y CA -0.794 57.399 58.100 0.156 0.000 1.067 954 Y CB 1.449 40.048 38.460 0.232 0.000 1.199 954 Y HN 0.692 nan 8.280 nan 0.000 0.450 955 Y N 3.581 123.523 120.300 -0.596 0.000 2.728 955 Y HA 0.566 5.120 4.550 0.006 0.000 0.330 955 Y C -1.430 174.045 175.900 -0.709 0.000 1.234 955 Y CA -2.532 55.178 58.100 -0.649 0.000 1.070 955 Y CB 0.330 38.689 38.460 -0.169 0.000 1.300 955 Y HN 0.533 nan 8.280 nan 0.000 0.467 956 F N 4.098 123.897 119.950 -0.252 0.000 2.623 956 F HA 0.135 4.666 4.527 0.006 0.000 0.383 956 F C 1.001 176.738 175.800 -0.105 0.000 1.077 956 F CA 0.534 58.446 58.000 -0.146 0.000 1.268 956 F CB -0.009 38.970 39.000 -0.035 0.000 1.053 956 F HN 0.774 nan 8.300 nan 0.000 0.571 957 M N 1.897 121.250 119.600 -0.412 0.000 2.901 957 M HA -0.358 4.126 4.480 0.006 0.000 0.182 957 M C -0.693 175.396 176.300 -0.352 0.000 0.641 957 M CA 1.110 56.142 55.300 -0.446 0.000 0.689 957 M CB -1.711 30.499 32.600 -0.650 0.000 2.484 957 M HN 0.638 nan 8.290 nan 0.000 0.302 958 N N 1.200 119.608 118.700 -0.487 0.000 2.504 958 N HA 0.583 5.327 4.740 0.006 0.000 0.280 958 N C 0.156 175.280 175.510 -0.643 0.000 1.052 958 N CA 0.680 53.204 53.050 -0.877 0.000 0.887 958 N CB 2.037 39.676 38.487 -1.414 0.000 1.323 958 N HN 0.477 nan 8.380 nan 0.000 0.509 959 G N 1.487 109.988 108.800 -0.500 0.000 2.592 959 G HA2 0.056 4.020 3.960 0.006 0.000 0.684 959 G HA3 0.056 4.020 3.960 0.006 0.000 0.684 959 G C -0.446 174.562 174.900 0.180 0.000 1.291 959 G CA -0.204 44.869 45.100 -0.046 0.000 0.891 959 G HN 1.637 nan 8.290 nan 0.000 0.544 960 S N -2.023 113.849 115.700 0.288 0.000 3.493 960 S HA 0.046 4.519 4.470 0.006 0.000 0.825 960 S C -2.465 172.141 174.600 0.010 0.000 1.181 960 S CA 0.766 59.055 58.200 0.148 0.000 1.045 960 S CB -1.084 61.990 63.200 -0.210 0.000 0.630 960 S HN 1.903 nan 8.310 nan 0.000 0.345 961 P HA 0.533 nan 4.420 nan 0.000 0.281 961 P C -0.214 176.957 177.300 -0.214 0.000 1.286 961 P CA 0.391 63.447 63.100 -0.073 0.000 0.772 961 P CB 0.582 32.267 31.700 -0.026 0.000 0.862 962 A N 6.607 129.302 122.820 -0.209 0.000 2.362 962 A HA 0.412 4.735 4.320 0.006 0.000 0.276 962 A C -1.836 175.513 177.584 -0.390 0.000 1.153 962 A CA -1.493 50.392 52.037 -0.254 0.000 0.813 962 A CB -0.250 18.633 19.000 -0.194 0.000 1.081 962 A HN 0.379 nan 8.150 nan 0.000 0.507 963 P HA 0.140 nan 4.420 nan 0.000 0.218 963 P C 0.284 177.402 177.300 -0.303 0.000 1.793 963 P CA 0.215 62.994 63.100 -0.534 0.000 0.941 963 P CB -0.230 31.192 31.700 -0.462 0.000 1.919 964 V N -2.331 117.418 119.914 -0.274 0.000 3.372 964 V HA 0.176 4.300 4.120 0.006 0.000 0.304 964 V C 0.888 176.901 176.094 -0.135 0.000 1.530 964 V CA 0.300 62.497 62.300 -0.172 0.000 1.080 964 V CB -0.539 31.192 31.823 -0.153 0.000 0.929 964 V HN 0.229 nan 8.190 nan 0.000 0.455 965 T N -0.719 113.736 114.554 -0.166 0.000 4.099 965 T HA 0.168 4.521 4.350 0.006 0.000 0.223 965 T C 0.761 175.433 174.700 -0.047 0.000 0.968 965 T CA 0.642 62.679 62.100 -0.106 0.000 0.966 965 T CB -0.749 68.039 68.868 -0.133 0.000 1.328 965 T HN 0.766 nan 8.240 nan 0.000 0.783 966 D N 0.012 120.390 120.400 -0.036 0.000 2.323 966 D HA -0.053 4.591 4.640 0.006 0.000 0.209 966 D C 0.814 177.137 176.300 0.037 0.000 0.973 966 D CA -0.162 53.825 54.000 -0.021 0.000 0.874 966 D CB 0.127 40.905 40.800 -0.037 0.000 0.930 966 D HN 0.167 nan 8.370 nan 0.000 0.521 967 R N 0.584 121.116 120.500 0.054 0.000 2.248 967 R HA 0.447 4.790 4.340 0.006 0.000 0.328 967 R C 1.007 177.346 176.300 0.065 0.000 1.067 967 R CA 0.593 56.740 56.100 0.078 0.000 0.924 967 R CB 0.451 30.801 30.300 0.084 0.000 1.013 967 R HN 0.420 nan 8.270 nan 0.000 0.454 968 G N 1.355 110.195 108.800 0.067 0.000 2.179 968 G HA2 -0.264 3.699 3.960 0.006 0.000 0.220 968 G HA3 -0.264 3.699 3.960 0.006 0.000 0.220 968 G C 0.235 175.153 174.900 0.029 0.000 0.990 968 G CA -0.130 45.004 45.100 0.056 0.000 0.646 968 G HN 0.426 nan 8.290 nan 0.000 0.517 969 V N 2.119 122.041 119.914 0.013 0.000 2.928 969 V HA 0.214 4.338 4.120 0.006 0.000 0.307 969 V C 1.121 177.211 176.094 -0.006 0.000 1.105 969 V CA 0.083 62.361 62.300 -0.037 0.000 1.223 969 V CB 0.670 32.451 31.823 -0.070 0.000 0.930 969 V HN 0.369 nan 8.190 nan 0.000 0.499 970 R N 3.334 123.815 120.500 -0.032 0.000 2.340 970 R HA 0.539 4.882 4.340 0.006 0.000 0.300 970 R C -0.450 175.840 176.300 -0.017 0.000 1.069 970 R CA -0.238 55.880 56.100 0.028 0.000 0.984 970 R CB 1.001 31.346 30.300 0.076 0.000 1.003 970 R HN 0.659 nan 8.270 nan 0.000 0.459 971 V N -1.426 118.495 119.914 0.013 0.000 3.007 971 V HA 0.654 4.778 4.120 0.006 0.000 0.311 971 V C -0.064 175.975 176.094 -0.092 0.000 1.120 971 V CA -0.859 61.349 62.300 -0.153 0.000 0.980 971 V CB 2.543 34.303 31.823 -0.105 0.000 1.033 971 V HN 0.588 nan 8.190 nan 0.000 0.429 972 S N 2.364 117.763 115.700 -0.502 0.000 2.651 972 S HA 0.842 5.316 4.470 0.006 0.000 0.291 972 S C -0.462 173.871 174.600 -0.445 0.000 1.141 972 S CA -0.545 57.405 58.200 -0.417 0.000 1.027 972 S CB 1.139 63.841 63.200 -0.829 0.000 1.043 972 S HN 0.693 nan 8.310 nan 0.000 0.530 973 I N 2.458 122.951 120.570 -0.129 0.000 2.545 973 I HA 0.498 4.672 4.170 0.006 0.000 0.292 973 I C -0.438 175.770 176.117 0.152 0.000 1.040 973 I CA -0.693 60.564 61.300 -0.072 0.000 1.068 973 I CB 1.984 39.752 38.000 -0.386 0.000 1.251 973 I HN 0.568 nan 8.210 nan 0.000 0.424 974 K N 4.529 125.063 120.400 0.224 0.000 2.482 974 K HA 0.527 4.851 4.320 0.006 0.000 0.257 974 K C -1.178 175.488 176.600 0.109 0.000 0.969 974 K CA -1.147 55.252 56.287 0.187 0.000 0.842 974 K CB 2.372 35.015 32.500 0.239 0.000 1.359 974 K HN 0.343 nan 8.250 nan 0.000 0.441 975 K N 0.738 121.186 120.400 0.079 0.000 2.382 975 K HA 0.282 4.606 4.320 0.006 0.000 0.275 975 K C -0.799 175.828 176.600 0.045 0.000 1.009 975 K CA 0.012 56.331 56.287 0.052 0.000 0.970 975 K CB 0.848 33.374 32.500 0.044 0.000 0.934 975 K HN 0.719 nan 8.250 nan 0.000 0.479 976 A N 0.000 122.842 122.820 0.036 0.000 2.254 976 A HA 0.000 4.324 4.320 0.006 0.000 0.244 976 A CA 0.000 52.054 52.037 0.028 0.000 0.836 976 A CB 0.000 19.020 19.000 0.034 0.000 0.831 976 A HN 0.000 nan 8.150 nan 0.000 0.486