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 4gep_1_A DATA FIRST_RESID 81 DATA SEQUENCE LLRCRLPGGV ITTKQWQAID KFAGENTIYG SIRLTNRQTF QFHGILXXXX DATA SEQUENCE XPVHQMLHSV GLDALXXXND MNRNVLCTSN PYESQLHAEA YEWAKKISEH DATA SEQUENCE LLPXXXXXXX XXXXXXXXXX XXXXXXXXXT YLPRKFKTTV VIPPQNDIDL DATA SEQUENCE HANDMNFVAI AENGKLVGFN LLVGGGLSIE HGNKKTYART ASEFGYLPLE DATA SEQUENCE HTLAVAEAVV TTQRDWGNRT DRKNAKTKYT LERVGVETFK AEVERRAGIK DATA SEQUENCE FEPIRPYEFT GRGDRIGWVK GIDDNWHLTL FIENGRILDY PARPLKTGLL DATA SEQUENCE EIAKIHKGDF RITANQNLII AGVPESEKAK IEKIAKESGL MNAVTPQREN DATA SEQUENCE SMACVSFPTC PLAMAEAERF LPSFIDNIDN LMAKHGVSDE HIVMRVTGCP DATA SEQUENCE NGCGRAMLAE VGLVGKAPGR YNLHLGGNRI GTRIPRMYKE NITEPEILAS DATA SEQUENCE LDELIGRWAK EREAGEGFGD FTVRAGIIRP VLDPARDLWD 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 81 L HA 0.000 nan 4.340 nan 0.000 0.249 81 L C 0.000 176.911 176.870 0.069 0.000 1.165 81 L CA 0.000 54.911 54.840 0.118 0.000 0.813 81 L CB 0.000 42.130 42.059 0.119 0.000 0.961 82 L N 5.115 126.358 121.223 0.033 0.000 2.431 82 L HA 0.710 5.050 4.340 -0.000 0.000 0.266 82 L C -1.115 175.639 176.870 -0.193 0.000 0.978 82 L CA -0.175 54.652 54.840 -0.022 0.000 0.822 82 L CB 1.976 44.077 42.059 0.069 0.000 1.310 82 L HN 0.766 nan 8.230 nan 0.000 0.409 83 R N 3.629 123.985 120.500 -0.241 0.000 2.628 83 R HA 0.600 4.940 4.340 -0.000 0.000 0.288 83 R C -1.579 174.465 176.300 -0.427 0.000 0.980 83 R CA -0.568 55.295 56.100 -0.396 0.000 0.891 83 R CB 1.690 31.833 30.300 -0.262 0.000 1.188 83 R HN 0.819 nan 8.270 nan 0.000 0.450 84 C N 3.136 122.010 119.300 -0.711 0.000 2.405 84 C HA 0.446 4.906 4.460 -0.000 0.000 0.365 84 C C 0.298 175.110 174.990 -0.298 0.000 1.233 84 C CA -0.514 58.176 59.018 -0.547 0.000 2.230 84 C CB 0.618 27.803 27.740 -0.924 0.000 2.443 84 C HN 0.867 nan 8.230 nan 0.000 0.556 85 R N 3.528 123.944 120.500 -0.141 0.000 2.216 85 R HA 0.549 4.889 4.340 -0.000 0.000 0.332 85 R C -1.304 174.984 176.300 -0.018 0.000 1.056 85 R CA -0.298 55.765 56.100 -0.062 0.000 0.901 85 R CB 0.372 30.660 30.300 -0.020 0.000 1.039 85 R HN 0.677 nan 8.270 nan 0.000 0.456 86 L N 8.036 129.263 121.223 0.007 0.000 2.457 86 L HA 0.368 4.708 4.340 -0.000 0.000 0.259 86 L C -2.394 174.541 176.870 0.108 0.000 1.377 86 L CA -1.903 52.984 54.840 0.080 0.000 0.887 86 L CB 1.677 43.801 42.059 0.109 0.000 1.085 86 L HN 0.563 nan 8.230 nan 0.000 0.509 87 P HA 0.131 nan 4.420 nan 0.000 0.262 87 P C 0.970 178.437 177.300 0.279 0.000 1.182 87 P CA 1.383 64.569 63.100 0.142 0.000 0.761 87 P CB 0.782 32.528 31.700 0.076 0.000 0.795 88 G N 3.169 112.107 108.800 0.229 0.000 2.189 88 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.267 88 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.267 88 G C 0.924 175.920 174.900 0.161 0.000 0.975 88 G CA 0.520 45.778 45.100 0.263 0.000 0.644 88 G HN 1.060 nan 8.290 nan 0.000 0.537 89 G N -2.287 106.598 108.800 0.141 0.000 2.168 89 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.263 89 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.263 89 G C 0.464 175.427 174.900 0.105 0.000 0.977 89 G CA 0.768 45.938 45.100 0.117 0.000 0.659 89 G HN 1.689 nan 8.290 nan 0.000 0.533 90 V N 1.414 121.368 119.914 0.066 0.000 2.455 90 V HA 0.629 4.749 4.120 -0.000 0.000 0.273 90 V C 0.652 176.802 176.094 0.094 0.000 1.045 90 V CA 0.118 62.415 62.300 -0.005 0.000 0.976 90 V CB 1.549 33.206 31.823 -0.277 0.000 0.993 90 V HN 0.441 nan 8.190 nan 0.000 0.475 91 I N 4.572 125.214 120.570 0.119 0.000 2.619 91 I HA 0.536 4.706 4.170 -0.000 0.000 0.292 91 I C 0.460 176.616 176.117 0.065 0.000 1.100 91 I CA -0.318 61.070 61.300 0.146 0.000 1.043 91 I CB 2.595 40.750 38.000 0.258 0.000 1.239 91 I HN 0.765 nan 8.210 nan 0.000 0.420 92 T N 1.463 116.035 114.554 0.030 0.000 2.828 92 T HA 0.144 4.494 4.350 -0.000 0.000 0.290 92 T C 1.282 175.906 174.700 -0.126 0.000 1.019 92 T CA 0.232 62.301 62.100 -0.052 0.000 1.031 92 T CB 1.186 70.039 68.868 -0.025 0.000 1.001 92 T HN 0.782 nan 8.240 nan 0.000 0.531 93 T N -1.119 113.293 114.554 -0.237 0.000 2.962 93 T HA -0.080 4.270 4.350 -0.000 0.000 0.270 93 T C 1.743 176.407 174.700 -0.061 0.000 1.088 93 T CA 1.103 63.027 62.100 -0.294 0.000 1.127 93 T CB -0.331 68.362 68.868 -0.291 0.000 0.883 93 T HN 0.741 nan 8.240 nan 0.000 0.493 94 K N 1.181 121.559 120.400 -0.038 0.000 2.062 94 K HA -0.001 4.319 4.320 -0.000 0.000 0.205 94 K C 2.546 179.157 176.600 0.018 0.000 1.051 94 K CA 0.989 57.275 56.287 -0.002 0.000 0.941 94 K CB -0.169 32.325 32.500 -0.011 0.000 0.719 94 K HN 0.402 nan 8.250 nan 0.000 0.440 95 Q N -0.610 119.203 119.800 0.022 0.000 2.119 95 Q HA -0.169 4.171 4.340 -0.000 0.000 0.201 95 Q C 1.781 177.786 176.000 0.007 0.000 0.972 95 Q CA 1.303 57.120 55.803 0.024 0.000 0.847 95 Q CB -0.250 28.517 28.738 0.048 0.000 0.903 95 Q HN 0.509 nan 8.270 nan 0.000 0.433 96 W N 1.857 123.083 121.300 -0.123 0.000 2.355 96 W HA -0.220 4.440 4.660 -0.000 0.000 0.309 96 W C 1.551 178.037 176.519 -0.056 0.000 1.206 96 W CA 1.644 58.922 57.345 -0.111 0.000 1.284 96 W CB -0.032 29.350 29.460 -0.130 0.000 1.145 96 W HN 0.256 nan 8.180 nan 0.000 0.502 97 Q N 0.053 119.923 119.800 0.117 0.000 2.170 97 Q HA -0.164 4.176 4.340 -0.000 0.000 0.203 97 Q C 2.441 178.422 176.000 -0.031 0.000 0.976 97 Q CA 1.892 57.731 55.803 0.060 0.000 0.858 97 Q CB -0.531 28.259 28.738 0.086 0.000 0.907 97 Q HN 0.254 nan 8.270 nan 0.000 0.433 98 A N 1.308 124.107 122.820 -0.035 0.000 1.969 98 A HA -0.130 4.189 4.320 -0.000 0.000 0.218 98 A C 2.066 179.630 177.584 -0.034 0.000 1.169 98 A CA 1.190 53.216 52.037 -0.019 0.000 0.635 98 A CB -0.672 18.327 19.000 -0.001 0.000 0.810 98 A HN 0.560 nan 8.150 nan 0.000 0.445 99 I N -2.442 118.037 120.570 -0.152 0.000 2.584 99 I HA -0.035 4.135 4.170 -0.000 0.000 0.255 99 I C 1.792 177.823 176.117 -0.143 0.000 1.145 99 I CA 2.068 63.298 61.300 -0.117 0.000 1.462 99 I CB -0.368 37.325 38.000 -0.513 0.000 1.102 99 I HN 0.236 nan 8.210 nan 0.000 0.433 100 D N 1.683 121.880 120.400 -0.338 0.000 2.117 100 D HA -0.272 4.368 4.640 -0.000 0.000 0.197 100 D C 2.297 178.546 176.300 -0.084 0.000 0.987 100 D CA 1.597 55.454 54.000 -0.240 0.000 0.829 100 D CB -0.042 40.643 40.800 -0.192 0.000 0.961 100 D HN 0.345 nan 8.370 nan 0.000 0.460 101 K N -0.858 119.510 120.400 -0.053 0.000 2.026 101 K HA -0.181 4.139 4.320 -0.000 0.000 0.208 101 K C 2.104 178.662 176.600 -0.070 0.000 1.048 101 K CA 1.089 57.354 56.287 -0.037 0.000 0.929 101 K CB -0.428 32.067 32.500 -0.008 0.000 0.713 101 K HN 0.211 nan 8.250 nan 0.000 0.439 102 F N 1.345 121.181 119.950 -0.189 0.000 2.102 102 F HA -0.184 4.343 4.527 -0.000 0.000 0.298 102 F C 2.125 177.684 175.800 -0.402 0.000 1.105 102 F CA 1.664 59.479 58.000 -0.308 0.000 1.239 102 F CB -0.495 38.258 39.000 -0.412 0.000 0.991 102 F HN 0.138 nan 8.300 nan 0.000 0.474 103 A N 0.291 122.985 122.820 -0.210 0.000 1.892 103 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 103 A C 2.468 179.952 177.584 -0.166 0.000 1.188 103 A CA 2.070 54.023 52.037 -0.141 0.000 0.631 103 A CB -1.854 17.235 19.000 0.148 0.000 0.822 103 A HN 0.530 nan 8.150 nan 0.000 0.447 104 G N -0.984 107.731 108.800 -0.141 0.000 2.403 104 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.216 104 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.216 104 G C 1.461 176.254 174.900 -0.179 0.000 1.154 104 G CA 0.954 45.980 45.100 -0.124 0.000 0.784 104 G HN 0.674 nan 8.290 nan 0.000 0.538 105 E N 0.166 120.210 120.200 -0.260 0.000 2.166 105 E HA 0.011 4.361 4.350 -0.000 0.000 0.192 105 E C 0.946 177.323 176.600 -0.373 0.000 0.967 105 E CA 0.592 56.830 56.400 -0.270 0.000 0.840 105 E CB 0.101 29.659 29.700 -0.237 0.000 0.795 105 E HN 0.460 nan 8.360 nan 0.000 0.470 106 N N 0.636 118.941 118.700 -0.658 0.000 2.328 106 N HA 0.036 4.776 4.740 -0.000 0.000 0.247 106 N C -0.855 174.315 175.510 -0.567 0.000 1.165 106 N CA 0.008 52.614 53.050 -0.741 0.000 0.873 106 N CB 1.221 38.962 38.487 -1.243 0.000 1.125 106 N HN 0.010 nan 8.380 nan 0.000 0.513 107 T N -3.704 110.638 114.554 -0.353 0.000 2.906 107 T HA 0.464 4.814 4.350 -0.000 0.000 0.295 107 T C 0.891 175.552 174.700 -0.065 0.000 1.075 107 T CA -0.813 61.209 62.100 -0.129 0.000 1.005 107 T CB 1.316 70.177 68.868 -0.011 0.000 1.136 107 T HN -0.130 nan 8.240 nan 0.000 0.498 108 I N -0.191 120.373 120.570 -0.010 0.000 2.202 108 I HA -0.086 4.084 4.170 -0.000 0.000 0.242 108 I C 1.741 177.735 176.117 -0.206 0.000 1.091 108 I CA 1.405 62.623 61.300 -0.138 0.000 1.368 108 I CB -0.251 37.618 38.000 -0.219 0.000 1.058 108 I HN 0.695 nan 8.210 nan 0.000 0.410 109 Y N 0.618 120.956 120.300 0.064 0.000 2.475 109 Y HA 0.114 4.663 4.550 -0.000 0.000 0.289 109 Y C 1.998 177.928 175.900 0.049 0.000 1.121 109 Y CA 0.660 58.806 58.100 0.077 0.000 1.257 109 Y CB -0.416 38.129 38.460 0.142 0.000 1.026 109 Y HN 0.294 nan 8.280 nan 0.000 0.555 110 G N 0.758 109.643 108.800 0.141 0.000 2.203 110 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.263 110 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.263 110 G C 0.186 175.140 174.900 0.090 0.000 1.012 110 G CA 0.509 45.643 45.100 0.057 0.000 0.749 110 G HN 0.483 nan 8.290 nan 0.000 0.512 111 S N -1.169 114.639 115.700 0.180 0.000 2.704 111 S HA 0.849 5.319 4.470 -0.000 0.000 0.305 111 S C -0.210 174.510 174.600 0.199 0.000 1.107 111 S CA -1.108 57.187 58.200 0.158 0.000 0.993 111 S CB 2.628 65.937 63.200 0.182 0.000 1.110 111 S HN 0.517 nan 8.310 nan 0.000 0.534 112 I N 1.188 121.835 120.570 0.127 0.000 2.433 112 I HA 0.523 4.693 4.170 -0.000 0.000 0.292 112 I C -0.395 175.775 176.117 0.088 0.000 1.001 112 I CA -0.658 60.685 61.300 0.072 0.000 1.119 112 I CB 1.900 39.850 38.000 -0.083 0.000 1.289 112 I HN 0.577 nan 8.210 nan 0.000 0.438 113 R N 7.220 127.759 120.500 0.065 0.000 2.409 113 R HA 0.542 4.882 4.340 -0.000 0.000 0.313 113 R C -1.604 174.739 176.300 0.073 0.000 0.953 113 R CA -0.438 55.712 56.100 0.084 0.000 0.849 113 R CB 0.665 31.034 30.300 0.115 0.000 1.171 113 R HN 0.564 nan 8.270 nan 0.000 0.458 114 L N 3.747 125.024 121.223 0.089 0.000 2.349 114 L HA 0.411 4.751 4.340 -0.000 0.000 0.275 114 L C 0.841 177.740 176.870 0.047 0.000 1.115 114 L CA -0.520 54.377 54.840 0.096 0.000 0.820 114 L CB 1.197 43.309 42.059 0.088 0.000 1.135 114 L HN 0.786 nan 8.230 nan 0.000 0.445 115 T N -1.754 112.817 114.554 0.028 0.000 2.936 115 T HA 0.203 4.552 4.350 -0.000 0.000 0.282 115 T C 0.732 175.433 174.700 0.001 0.000 1.003 115 T CA -0.836 61.265 62.100 0.002 0.000 1.005 115 T CB 1.183 70.034 68.868 -0.030 0.000 1.097 115 T HN 0.648 nan 8.240 nan 0.000 0.532 116 N N -0.148 118.548 118.700 -0.008 0.000 2.434 116 N HA 0.018 4.758 4.740 -0.000 0.000 0.196 116 N C 0.784 176.283 175.510 -0.018 0.000 1.183 116 N CA -0.108 52.935 53.050 -0.011 0.000 0.849 116 N CB -0.235 38.244 38.487 -0.013 0.000 0.992 116 N HN 0.607 nan 8.380 nan 0.000 0.460 117 R N 0.183 120.672 120.500 -0.019 0.000 2.586 117 R HA 0.199 4.539 4.340 -0.000 0.000 0.336 117 R C -0.384 175.913 176.300 -0.004 0.000 1.060 117 R CA -0.153 55.935 56.100 -0.021 0.000 1.079 117 R CB 0.045 30.324 30.300 -0.034 0.000 1.317 117 R HN 0.274 nan 8.270 nan 0.000 0.568 118 Q N -0.286 119.521 119.800 0.011 0.000 2.493 118 Q HA -0.194 4.146 4.340 -0.000 0.000 0.278 118 Q C -0.204 175.831 176.000 0.059 0.000 1.216 118 Q CA 1.249 57.076 55.803 0.040 0.000 0.875 118 Q CB -1.433 27.334 28.738 0.048 0.000 1.262 118 Q HN 0.332 nan 8.270 nan 0.000 0.468 119 T N -1.341 113.235 114.554 0.037 0.000 2.618 119 T HA 0.833 5.183 4.350 -0.000 0.000 0.293 119 T C -1.737 172.988 174.700 0.041 0.000 1.093 119 T CA -0.348 61.761 62.100 0.016 0.000 1.061 119 T CB 1.263 70.049 68.868 -0.137 0.000 1.498 119 T HN 0.315 nan 8.240 nan 0.000 0.494 120 F N -0.121 119.751 119.950 -0.131 0.000 2.629 120 F HA 0.872 5.398 4.527 -0.000 0.000 0.316 120 F C -0.833 174.756 175.800 -0.351 0.000 1.081 120 F CA -1.020 56.850 58.000 -0.217 0.000 0.954 120 F CB 1.434 40.276 39.000 -0.264 0.000 1.337 120 F HN 0.479 nan 8.300 nan 0.000 0.474 121 Q N 1.053 120.693 119.800 -0.267 0.000 2.423 121 Q HA 0.552 4.892 4.340 -0.000 0.000 0.278 121 Q C -1.925 173.829 176.000 -0.411 0.000 1.097 121 Q CA -0.893 54.651 55.803 -0.433 0.000 0.809 121 Q CB 3.139 31.634 28.738 -0.406 0.000 1.391 121 Q HN 0.590 nan 8.270 nan 0.000 0.428 122 F N 0.345 120.202 119.950 -0.156 0.000 2.458 122 F HA 0.428 4.954 4.527 -0.000 0.000 0.330 122 F C -0.161 175.513 175.800 -0.212 0.000 1.082 122 F CA -0.532 57.433 58.000 -0.058 0.000 0.995 122 F CB 1.365 40.442 39.000 0.129 0.000 1.170 122 F HN 0.451 nan 8.300 nan 0.000 0.478 123 H N -0.557 118.718 119.070 0.342 0.000 2.547 123 H HA 0.519 5.075 4.556 0.000 0.000 0.342 123 H C 0.233 175.788 175.328 0.378 0.000 1.048 123 H CA -0.489 55.706 56.048 0.245 0.000 1.204 123 H CB 1.734 31.504 29.762 0.014 0.000 1.493 123 H HN 0.835 nan 8.280 nan 0.000 0.511 124 G N 3.643 112.705 108.800 0.437 0.000 2.368 124 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.290 124 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.290 124 G C -0.235 174.781 174.900 0.192 0.000 1.098 124 G CA -0.356 44.936 45.100 0.321 0.000 1.073 124 G HN 0.555 nan 8.290 nan 0.000 0.511 125 I N 0.765 121.445 120.570 0.183 0.000 2.474 125 I HA 0.223 4.393 4.170 -0.000 0.000 0.287 125 I C 0.989 177.157 176.117 0.084 0.000 1.048 125 I CA -0.976 60.407 61.300 0.138 0.000 1.383 125 I CB 0.675 38.798 38.000 0.205 0.000 1.412 125 I HN 0.036 nan 8.210 nan 0.000 0.531 133 V N -1.379 118.455 119.914 -0.133 0.000 2.427 133 V HA -0.207 3.913 4.120 -0.000 0.000 0.248 133 V C 2.064 177.961 176.094 -0.329 0.000 1.051 133 V CA 2.029 64.051 62.300 -0.464 0.000 1.048 133 V CB -1.076 30.400 31.823 -0.579 0.000 0.666 133 V HN 0.291 nan 8.190 nan 0.000 0.456 134 H N 0.681 119.714 119.070 -0.061 0.000 2.423 134 H HA -0.051 4.505 4.556 -0.000 0.000 0.297 134 H C 2.418 177.758 175.328 0.020 0.000 1.075 134 H CA 2.170 58.209 56.048 -0.015 0.000 1.342 134 H CB -0.012 29.740 29.762 -0.017 0.000 1.395 134 H HN 0.596 nan 8.280 nan 0.000 0.530 135 Q N -0.461 119.402 119.800 0.105 0.000 2.187 135 Q HA -0.054 4.286 4.340 -0.000 0.000 0.199 135 Q C 2.407 178.468 176.000 0.102 0.000 0.957 135 Q CA 0.470 56.330 55.803 0.095 0.000 0.857 135 Q CB 0.150 28.923 28.738 0.058 0.000 0.929 135 Q HN 0.245 nan 8.270 nan 0.000 0.453 136 M N 0.560 120.175 119.600 0.025 0.000 2.254 136 M HA -0.077 4.403 4.480 -0.000 0.000 0.265 136 M C 1.637 177.943 176.300 0.009 0.000 1.066 136 M CA 1.381 56.681 55.300 0.001 0.000 1.123 136 M CB -0.194 32.354 32.600 -0.087 0.000 1.388 136 M HN 0.243 nan 8.290 nan 0.000 0.425 137 L N -0.739 120.487 121.223 0.005 0.000 2.007 137 L HA -0.216 4.124 4.340 -0.000 0.000 0.205 137 L C 2.841 179.763 176.870 0.087 0.000 1.073 137 L CA 1.421 56.288 54.840 0.046 0.000 0.744 137 L CB -1.348 40.731 42.059 0.033 0.000 0.898 137 L HN 0.426 nan 8.230 nan 0.000 0.435 138 H N 0.576 119.665 119.070 0.032 0.000 2.390 138 H HA -0.179 4.377 4.556 -0.000 0.000 0.298 138 H C 2.237 177.582 175.328 0.028 0.000 1.106 138 H CA 1.953 58.023 56.048 0.037 0.000 1.297 138 H CB 0.175 29.964 29.762 0.045 0.000 1.375 138 H HN 0.416 nan 8.280 nan 0.000 0.509 139 S N 0.506 116.251 115.700 0.075 0.000 2.423 139 S HA -0.103 4.367 4.470 -0.000 0.000 0.231 139 S C 2.015 176.588 174.600 -0.045 0.000 1.014 139 S CA 1.233 59.443 58.200 0.016 0.000 0.965 139 S CB -0.817 62.428 63.200 0.076 0.000 0.785 139 S HN 0.356 nan 8.310 nan 0.000 0.495 140 V N -2.355 117.543 119.914 -0.027 0.000 3.444 140 V HA 0.713 4.833 4.120 -0.000 0.000 0.308 140 V C 1.187 177.263 176.094 -0.030 0.000 1.371 140 V CA -0.191 62.097 62.300 -0.020 0.000 1.141 140 V CB -0.919 30.908 31.823 0.007 0.000 1.037 140 V HN 0.753 nan 8.190 nan 0.000 0.433 141 G N 0.693 109.444 108.800 -0.081 0.000 2.198 141 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.257 141 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.257 141 G C -0.542 174.353 174.900 -0.008 0.000 1.042 141 G CA 0.487 45.542 45.100 -0.075 0.000 0.791 141 G HN 0.489 nan 8.290 nan 0.000 0.502 142 L N 0.812 122.048 121.223 0.022 0.000 2.303 142 L HA 0.900 5.240 4.340 -0.000 0.000 0.266 142 L C -0.293 176.620 176.870 0.072 0.000 1.011 142 L CA -1.037 53.840 54.840 0.061 0.000 0.818 142 L CB 1.860 43.979 42.059 0.100 0.000 1.326 142 L HN 0.441 nan 8.230 nan 0.000 0.435 143 D N 0.704 121.140 120.400 0.061 0.000 2.736 143 D HA 0.542 5.182 4.640 -0.000 0.000 0.223 143 D C -1.423 174.896 176.300 0.032 0.000 1.231 143 D CA -0.543 53.502 54.000 0.076 0.000 0.818 143 D CB 1.974 42.822 40.800 0.080 0.000 1.587 143 D HN 0.578 nan 8.370 nan 0.000 0.463 144 A N 2.270 125.126 122.820 0.060 0.000 2.290 144 A HA 0.548 4.868 4.320 -0.000 0.000 0.310 144 A C 0.597 178.208 177.584 0.044 0.000 1.202 144 A CA -0.718 51.326 52.037 0.011 0.000 0.837 144 A CB 0.414 19.429 19.000 0.026 0.000 1.139 144 A HN 0.592 nan 8.150 nan 0.000 0.509 150 D N 1.561 122.034 120.400 0.121 0.000 2.336 150 D HA 0.260 4.900 4.640 -0.000 0.000 0.249 150 D C 0.912 177.233 176.300 0.035 0.000 1.213 150 D CA -0.176 53.859 54.000 0.059 0.000 0.870 150 D CB 0.623 41.444 40.800 0.036 0.000 1.076 150 D HN 0.101 nan 8.370 nan 0.000 0.483 151 M N 2.177 121.769 119.600 -0.014 0.000 2.495 151 M HA 0.063 4.543 4.480 -0.000 0.000 0.237 151 M C 0.411 176.734 176.300 0.039 0.000 1.131 151 M CA 0.026 55.316 55.300 -0.016 0.000 1.032 151 M CB -0.725 31.816 32.600 -0.098 0.000 1.513 151 M HN 0.418 nan 8.290 nan 0.000 0.488 152 N N 1.951 120.675 118.700 0.039 0.000 2.401 152 N HA 0.072 4.812 4.740 -0.000 0.000 0.255 152 N C -0.190 175.350 175.510 0.049 0.000 1.110 152 N CA 0.058 53.152 53.050 0.075 0.000 0.949 152 N CB 0.988 39.509 38.487 0.056 0.000 1.110 152 N HN 0.024 nan 8.380 nan 0.000 0.490 153 R N 1.665 122.196 120.500 0.052 0.000 2.541 153 R HA 0.185 4.525 4.340 -0.000 0.000 0.263 153 R C 0.095 176.399 176.300 0.007 0.000 1.112 153 R CA -0.715 55.392 56.100 0.012 0.000 1.170 153 R CB -0.166 30.130 30.300 -0.007 0.000 1.167 153 R HN 0.548 nan 8.270 nan 0.000 0.582 154 N N -0.438 118.254 118.700 -0.012 0.000 2.454 154 N HA -0.013 4.727 4.740 -0.000 0.000 0.260 154 N C -0.942 174.572 175.510 0.007 0.000 1.218 154 N CA 0.205 53.252 53.050 -0.005 0.000 0.904 154 N CB 0.534 39.008 38.487 -0.022 0.000 1.065 154 N HN 0.147 nan 8.380 nan 0.000 0.462 155 V N 5.182 125.111 119.914 0.026 0.000 2.455 155 V HA 0.182 4.302 4.120 -0.000 0.000 0.273 155 V C 0.541 176.660 176.094 0.041 0.000 1.045 155 V CA -0.465 61.855 62.300 0.033 0.000 0.976 155 V CB 0.142 31.991 31.823 0.043 0.000 0.993 155 V HN 0.457 nan 8.190 nan 0.000 0.475 156 L N 4.326 125.566 121.223 0.028 0.000 2.399 156 L HA 0.652 4.992 4.340 -0.000 0.000 0.265 156 L C -0.078 176.829 176.870 0.062 0.000 1.089 156 L CA -0.297 54.567 54.840 0.040 0.000 0.802 156 L CB 1.425 43.487 42.059 0.006 0.000 1.180 156 L HN 0.686 nan 8.230 nan 0.000 0.454 157 C N 0.629 119.985 119.300 0.094 0.000 2.642 157 C HA 0.368 4.828 4.460 -0.000 0.000 0.344 157 C C 0.398 175.469 174.990 0.133 0.000 1.110 157 C CA -0.340 58.749 59.018 0.119 0.000 1.298 157 C CB 1.312 29.149 27.740 0.162 0.000 1.827 157 C HN 0.898 nan 8.230 nan 0.000 0.467 158 T N 5.154 119.782 114.554 0.123 0.000 2.765 158 T HA -0.005 4.345 4.350 -0.000 0.000 0.275 158 T C 1.354 176.163 174.700 0.182 0.000 1.007 158 T CA 0.851 63.021 62.100 0.116 0.000 1.175 158 T CB 0.604 69.548 68.868 0.126 0.000 0.993 158 T HN 0.867 nan 8.240 nan 0.000 0.510 159 S N 2.706 118.449 115.700 0.072 0.000 2.414 159 S HA -0.012 4.458 4.470 -0.000 0.000 0.227 159 S C 1.288 175.744 174.600 -0.241 0.000 1.022 159 S CA 0.353 58.539 58.200 -0.023 0.000 0.958 159 S CB 0.006 63.163 63.200 -0.072 0.000 0.797 159 S HN 0.701 nan 8.310 nan 0.000 0.493 160 N N 1.249 119.844 118.700 -0.176 0.000 2.711 160 N HA 0.263 5.003 4.740 -0.000 0.000 0.263 160 N C -3.174 172.222 175.510 -0.191 0.000 1.667 160 N CA -1.815 51.096 53.050 -0.231 0.000 0.785 160 N CB 0.823 39.186 38.487 -0.207 0.000 1.231 160 N HN 0.084 nan 8.380 nan 0.000 0.503 161 P HA 0.006 nan 4.420 nan 0.000 0.269 161 P C 0.614 177.868 177.300 -0.078 0.000 1.209 161 P CA -0.058 62.998 63.100 -0.074 0.000 0.776 161 P CB 0.933 32.687 31.700 0.090 0.000 0.876 162 Y N 0.380 120.734 120.300 0.090 0.000 2.165 162 Y HA -0.149 4.400 4.550 -0.000 0.000 0.286 162 Y C 1.795 177.734 175.900 0.064 0.000 1.155 162 Y CA 1.383 59.526 58.100 0.072 0.000 1.164 162 Y CB -0.523 37.979 38.460 0.070 0.000 0.978 162 Y HN 0.422 nan 8.280 nan 0.000 0.513 163 E N 0.635 120.964 120.200 0.215 0.000 1.856 163 E HA 0.115 4.465 4.350 -0.000 0.000 0.263 163 E C 0.728 177.403 176.600 0.127 0.000 1.137 163 E CA -0.026 56.461 56.400 0.146 0.000 1.007 163 E CB 0.218 29.998 29.700 0.133 0.000 1.117 163 E HN 0.218 nan 8.360 nan 0.000 0.438 164 S N 3.328 119.095 115.700 0.110 0.000 2.407 164 S HA -0.265 4.205 4.470 -0.000 0.000 0.235 164 S C 1.818 176.501 174.600 0.139 0.000 1.036 164 S CA 1.490 59.762 58.200 0.120 0.000 1.013 164 S CB -0.128 63.134 63.200 0.103 0.000 0.820 164 S HN 0.713 nan 8.310 nan 0.000 0.476 165 Q N 1.137 121.004 119.800 0.111 0.000 2.291 165 Q HA 0.014 4.354 4.340 -0.000 0.000 0.205 165 Q C 1.880 177.958 176.000 0.131 0.000 0.970 165 Q CA 0.995 56.864 55.803 0.110 0.000 0.876 165 Q CB -0.652 28.132 28.738 0.077 0.000 0.935 165 Q HN 0.490 nan 8.270 nan 0.000 0.455 166 L N 0.449 121.755 121.223 0.139 0.000 2.275 166 L HA -0.119 4.221 4.340 -0.000 0.000 0.215 166 L C 2.784 179.758 176.870 0.174 0.000 1.119 166 L CA 0.966 55.891 54.840 0.142 0.000 0.790 166 L CB -0.807 41.332 42.059 0.134 0.000 0.919 166 L HN 0.396 nan 8.230 nan 0.000 0.443 167 H N 0.732 119.870 119.070 0.113 0.000 2.319 167 H HA -0.233 4.323 4.556 -0.000 0.000 0.297 167 H C 2.135 177.569 175.328 0.178 0.000 1.097 167 H CA 1.800 57.922 56.048 0.123 0.000 1.285 167 H CB 0.371 30.172 29.762 0.066 0.000 1.368 167 H HN 0.358 nan 8.280 nan 0.000 0.495 168 A N 1.009 123.933 122.820 0.173 0.000 1.892 168 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 168 A C 2.359 180.013 177.584 0.116 0.000 1.188 168 A CA 2.061 54.193 52.037 0.159 0.000 0.631 168 A CB -0.551 18.540 19.000 0.151 0.000 0.822 168 A HN 0.635 nan 8.150 nan 0.000 0.447 169 E N -0.614 119.656 120.200 0.117 0.000 2.072 169 E HA -0.002 4.348 4.350 -0.000 0.000 0.190 169 E C 2.364 179.108 176.600 0.241 0.000 0.982 169 E CA 0.766 57.257 56.400 0.152 0.000 0.803 169 E CB -0.277 29.530 29.700 0.178 0.000 0.755 169 E HN 0.608 nan 8.360 nan 0.000 0.453 170 A N 0.963 123.905 122.820 0.202 0.000 1.902 170 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 170 A C 2.065 179.744 177.584 0.157 0.000 1.181 170 A CA 1.419 53.605 52.037 0.248 0.000 0.623 170 A CB -0.735 18.376 19.000 0.184 0.000 0.818 170 A HN 0.407 nan 8.150 nan 0.000 0.443 171 Y N 0.615 120.835 120.300 -0.133 0.000 2.181 171 Y HA -0.173 4.377 4.550 -0.000 0.000 0.288 171 Y C 2.245 178.101 175.900 -0.073 0.000 1.146 171 Y CA 2.000 59.990 58.100 -0.183 0.000 1.164 171 Y CB -0.470 37.766 38.460 -0.374 0.000 0.982 171 Y HN 0.522 nan 8.280 nan 0.000 0.515 172 E N -0.879 119.129 120.200 -0.320 0.000 2.118 172 E HA -0.268 4.082 4.350 -0.000 0.000 0.195 172 E C 1.900 178.227 176.600 -0.456 0.000 0.992 172 E CA 1.749 57.875 56.400 -0.456 0.000 0.804 172 E CB -0.564 28.942 29.700 -0.324 0.000 0.741 172 E HN 0.652 nan 8.360 nan 0.000 0.458 173 W N 0.335 121.540 121.300 -0.158 0.000 2.418 173 W HA 0.001 4.660 4.660 -0.000 0.000 0.292 173 W C 2.546 178.943 176.519 -0.203 0.000 1.213 173 W CA 0.998 58.264 57.345 -0.132 0.000 1.283 173 W CB -0.209 29.269 29.460 0.031 0.000 1.119 173 W HN 0.162 nan 8.180 nan 0.000 0.542 174 A N 0.248 123.076 122.820 0.013 0.000 1.933 174 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 174 A C 1.934 179.457 177.584 -0.101 0.000 1.175 174 A CA 1.952 53.971 52.037 -0.031 0.000 0.628 174 A CB -0.734 18.280 19.000 0.023 0.000 0.814 174 A HN 0.311 nan 8.150 nan 0.000 0.444 175 K N -0.227 120.017 120.400 -0.260 0.000 2.097 175 K HA -0.105 4.215 4.320 -0.000 0.000 0.205 175 K C 1.966 178.454 176.600 -0.187 0.000 1.050 175 K CA 1.416 57.541 56.287 -0.269 0.000 0.938 175 K CB -0.137 32.067 32.500 -0.492 0.000 0.718 175 K HN 0.432 nan 8.250 nan 0.000 0.442 176 K N 0.374 120.639 120.400 -0.224 0.000 2.097 176 K HA -0.056 4.264 4.320 -0.000 0.000 0.205 176 K C 2.082 178.654 176.600 -0.047 0.000 1.050 176 K CA 1.205 57.377 56.287 -0.192 0.000 0.938 176 K CB -0.039 32.223 32.500 -0.396 0.000 0.718 176 K HN 0.170 nan 8.250 nan 0.000 0.442 177 I N 0.425 120.986 120.570 -0.014 0.000 2.252 177 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 177 I C 2.615 178.776 176.117 0.073 0.000 1.102 177 I CA 0.868 62.189 61.300 0.035 0.000 1.385 177 I CB -0.308 37.670 38.000 -0.037 0.000 1.064 177 I HN 0.132 nan 8.210 nan 0.000 0.414 178 S N 0.684 116.400 115.700 0.028 0.000 2.370 178 S HA -0.245 4.225 4.470 -0.000 0.000 0.226 178 S C 1.910 176.525 174.600 0.026 0.000 1.033 178 S CA 1.894 60.111 58.200 0.029 0.000 1.011 178 S CB -0.188 63.016 63.200 0.007 0.000 0.852 178 S HN 0.456 nan 8.310 nan 0.000 0.457 179 E N -0.943 119.266 120.200 0.015 0.000 2.112 179 E HA -0.086 4.264 4.350 -0.000 0.000 0.190 179 E C 1.957 178.581 176.600 0.040 0.000 0.979 179 E CA 0.980 57.388 56.400 0.013 0.000 0.814 179 E CB -0.212 29.482 29.700 -0.010 0.000 0.762 179 E HN 0.729 nan 8.360 nan 0.000 0.460 180 H N 0.433 119.484 119.070 -0.031 0.000 2.456 180 H HA 0.006 4.562 4.556 -0.000 0.000 0.296 180 H C 1.554 176.875 175.328 -0.012 0.000 1.079 180 H CA 1.117 57.153 56.048 -0.020 0.000 1.322 180 H CB 0.112 29.868 29.762 -0.011 0.000 1.388 180 H HN 0.071 nan 8.280 nan 0.000 0.538 181 L N -0.132 121.093 121.223 0.004 0.000 2.558 181 L HA 0.076 4.416 4.340 -0.000 0.000 0.225 181 L C 0.025 176.857 176.870 -0.064 0.000 1.128 181 L CA -0.390 54.419 54.840 -0.051 0.000 0.868 181 L CB 0.084 42.167 42.059 0.040 0.000 1.006 181 L HN 0.141 nan 8.230 nan 0.000 0.454 182 L N 1.463 122.658 121.223 -0.046 0.000 2.426 182 L HA 0.174 4.514 4.340 -0.000 0.000 0.271 182 L C -1.162 175.675 176.870 -0.055 0.000 1.169 182 L CA -1.283 53.536 54.840 -0.035 0.000 0.836 182 L CB -0.318 41.731 42.059 -0.018 0.000 1.112 182 L HN -0.073 nan 8.230 nan 0.000 0.465 211 Y N 4.522 124.801 120.300 -0.035 0.000 2.383 211 Y HA 0.657 5.207 4.550 -0.000 0.000 0.344 211 Y C -0.206 175.686 175.900 -0.014 0.000 0.986 211 Y CA -1.318 56.770 58.100 -0.020 0.000 1.175 211 Y CB 0.481 38.936 38.460 -0.008 0.000 1.152 211 Y HN 0.795 nan 8.280 nan 0.000 0.511 212 L N 9.127 129.941 121.223 -0.681 0.000 2.395 212 L HA 0.254 4.594 4.340 -0.000 0.000 0.269 212 L C -1.459 175.055 176.870 -0.593 0.000 1.133 212 L CA -1.769 52.784 54.840 -0.479 0.000 0.812 212 L CB 0.781 42.664 42.059 -0.294 0.000 1.125 212 L HN 0.540 nan 8.230 nan 0.000 0.452 213 P HA -0.043 nan 4.420 nan 0.000 0.217 213 P C -0.002 177.263 177.300 -0.059 0.000 1.150 213 P CA 1.079 64.137 63.100 -0.070 0.000 0.832 213 P CB 0.287 32.012 31.700 0.041 0.000 0.787 214 R N -1.123 119.349 120.500 -0.046 0.000 2.869 214 R HA 0.332 4.672 4.340 -0.000 0.000 0.263 214 R C -0.777 175.522 176.300 -0.001 0.000 1.066 214 R CA -1.090 55.010 56.100 -0.000 0.000 0.960 214 R CB 0.860 31.193 30.300 0.055 0.000 1.221 214 R HN -0.182 nan 8.270 nan 0.000 0.474 215 K N 0.688 121.101 120.400 0.020 0.000 2.355 215 K HA 0.186 4.506 4.320 -0.000 0.000 0.270 215 K C -0.898 175.764 176.600 0.103 0.000 1.003 215 K CA 0.112 56.423 56.287 0.040 0.000 0.957 215 K CB 0.503 33.013 32.500 0.017 0.000 0.939 215 K HN 0.296 nan 8.250 nan 0.000 0.482 216 F N 1.811 121.726 119.950 -0.058 0.000 2.449 216 F HA 0.346 4.873 4.527 -0.000 0.000 0.342 216 F C -0.679 175.093 175.800 -0.045 0.000 1.127 216 F CA -0.684 57.285 58.000 -0.052 0.000 0.975 216 F CB 1.649 40.621 39.000 -0.047 0.000 1.146 216 F HN 0.458 nan 8.300 nan 0.000 0.444 217 K N 4.131 124.301 120.400 -0.383 0.000 2.323 217 K HA 0.605 4.925 4.320 -0.000 0.000 0.259 217 K C -0.963 175.439 176.600 -0.330 0.000 0.947 217 K CA -0.747 55.389 56.287 -0.251 0.000 0.819 217 K CB 2.074 34.451 32.500 -0.205 0.000 1.109 217 K HN 0.534 nan 8.250 nan 0.000 0.429 218 T N 0.964 115.437 114.554 -0.135 0.000 2.907 218 T HA 0.556 4.906 4.350 -0.000 0.000 0.292 218 T C -0.513 174.164 174.700 -0.038 0.000 1.043 218 T CA -0.839 61.215 62.100 -0.076 0.000 1.003 218 T CB 1.820 70.746 68.868 0.097 0.000 1.084 218 T HN 0.749 nan 8.240 nan 0.000 0.483 219 T N -1.677 112.857 114.554 -0.033 0.000 2.864 219 T HA 0.736 5.085 4.350 -0.000 0.000 0.299 219 T C -1.361 173.354 174.700 0.024 0.000 1.166 219 T CA -0.742 61.349 62.100 -0.016 0.000 1.007 219 T CB 1.352 70.180 68.868 -0.066 0.000 1.219 219 T HN 0.363 nan 8.240 nan 0.000 0.506 220 V N 1.880 121.812 119.914 0.029 0.000 2.407 220 V HA 0.601 4.721 4.120 -0.000 0.000 0.291 220 V C -0.375 175.767 176.094 0.080 0.000 1.018 220 V CA -0.673 61.649 62.300 0.037 0.000 0.842 220 V CB 1.454 33.300 31.823 0.038 0.000 0.996 220 V HN 0.936 nan 8.190 nan 0.000 0.426 221 V N 5.804 125.781 119.914 0.106 0.000 2.581 221 V HA 0.570 4.690 4.120 -0.000 0.000 0.303 221 V C -0.210 176.016 176.094 0.220 0.000 1.041 221 V CA -0.645 61.744 62.300 0.148 0.000 0.907 221 V CB 2.145 34.069 31.823 0.168 0.000 0.994 221 V HN 0.686 nan 8.190 nan 0.000 0.442 222 I N 4.916 125.622 120.570 0.226 0.000 2.428 222 I HA 0.355 4.525 4.170 -0.000 0.000 0.279 222 I C -2.492 173.789 176.117 0.273 0.000 1.040 222 I CA -1.843 59.593 61.300 0.226 0.000 1.171 222 I CB 1.824 39.939 38.000 0.192 0.000 1.312 222 I HN 0.418 nan 8.210 nan 0.000 0.470 223 P HA 0.041 nan 4.420 nan 0.000 0.269 223 P C -1.979 175.483 177.300 0.271 0.000 1.217 223 P CA -0.784 62.496 63.100 0.301 0.000 0.783 223 P CB 0.071 31.841 31.700 0.117 0.000 0.898 224 P HA 0.066 nan 4.420 nan 0.000 0.256 224 P C -0.410 177.211 177.300 0.535 0.000 1.384 224 P CA 0.432 63.745 63.100 0.356 0.000 0.879 224 P CB 0.429 32.282 31.700 0.256 0.000 1.403 225 Q N 0.783 120.855 119.800 0.453 0.000 2.257 225 Q HA 0.290 4.630 4.340 -0.000 0.000 0.255 225 Q C 0.104 176.207 176.000 0.172 0.000 0.920 225 Q CA -0.318 55.658 55.803 0.287 0.000 0.927 225 Q CB 0.846 29.649 28.738 0.110 0.000 1.229 225 Q HN -0.144 nan 8.270 nan 0.000 0.433 226 N N 1.842 120.497 118.700 -0.075 0.000 2.535 226 N HA -0.025 4.715 4.740 -0.000 0.000 0.294 226 N C -0.021 175.376 175.510 -0.189 0.000 1.408 226 N CA -0.086 52.728 53.050 -0.392 0.000 0.927 226 N CB 0.451 38.418 38.487 -0.868 0.000 1.276 226 N HN 0.571 nan 8.380 nan 0.000 0.505 227 D N -0.023 120.328 120.400 -0.083 0.000 2.178 227 D HA -0.194 4.446 4.640 -0.000 0.000 0.201 227 D C 1.596 177.857 176.300 -0.065 0.000 0.980 227 D CA 0.810 54.776 54.000 -0.056 0.000 0.842 227 D CB -0.267 40.512 40.800 -0.035 0.000 0.948 227 D HN 0.546 nan 8.370 nan 0.000 0.472 228 I N -2.313 118.210 120.570 -0.077 0.000 3.291 228 I HA 0.083 4.253 4.170 -0.000 0.000 0.279 228 I C -0.187 175.865 176.117 -0.109 0.000 1.294 228 I CA -0.159 61.097 61.300 -0.074 0.000 1.428 228 I CB -0.826 37.142 38.000 -0.054 0.000 1.070 228 I HN -0.297 nan 8.210 nan 0.000 0.478 229 D N 1.205 121.518 120.400 -0.147 0.000 2.956 229 D HA -0.171 4.469 4.640 -0.000 0.000 0.240 229 D C 1.069 177.255 176.300 -0.189 0.000 1.141 229 D CA 1.004 54.913 54.000 -0.151 0.000 0.820 229 D CB -0.639 40.108 40.800 -0.090 0.000 0.988 229 D HN 0.624 nan 8.370 nan 0.000 0.417 230 L N -0.495 120.550 121.223 -0.297 0.000 2.129 230 L HA -0.146 4.193 4.340 -0.000 0.000 0.212 230 L C 1.933 178.565 176.870 -0.397 0.000 1.087 230 L CA 1.559 56.182 54.840 -0.361 0.000 0.757 230 L CB -0.513 41.287 42.059 -0.432 0.000 0.896 230 L HN 0.269 nan 8.230 nan 0.000 0.434 231 H N 0.253 119.248 119.070 -0.125 0.000 2.563 231 H HA 0.266 4.822 4.556 -0.000 0.000 0.272 231 H C 1.857 177.113 175.328 -0.121 0.000 1.005 231 H CA 0.790 56.772 56.048 -0.110 0.000 1.171 231 H CB 0.092 29.806 29.762 -0.081 0.000 1.351 231 H HN 0.627 nan 8.280 nan 0.000 0.602 232 A N 0.201 122.978 122.820 -0.071 0.000 2.348 232 A HA 0.085 4.405 4.320 -0.000 0.000 0.224 232 A C 0.646 178.145 177.584 -0.141 0.000 1.227 232 A CA -0.310 51.674 52.037 -0.089 0.000 0.885 232 A CB 0.246 19.197 19.000 -0.082 0.000 0.933 232 A HN 0.196 nan 8.150 nan 0.000 0.506 233 N N -0.319 118.269 118.700 -0.187 0.000 2.335 233 N HA 0.158 4.898 4.740 -0.000 0.000 0.304 233 N C -0.691 174.614 175.510 -0.341 0.000 1.135 233 N CA -0.571 52.323 53.050 -0.260 0.000 0.817 233 N CB 1.486 39.820 38.487 -0.255 0.000 1.294 233 N HN 0.087 nan 8.380 nan 0.000 0.497 234 D N 0.612 120.712 120.400 -0.499 0.000 2.117 234 D HA -0.068 4.572 4.640 -0.000 0.000 0.198 234 D C 0.380 176.320 176.300 -0.600 0.000 0.982 234 D CA 1.424 55.035 54.000 -0.648 0.000 0.828 234 D CB 0.640 40.676 40.800 -1.274 0.000 0.967 234 D HN 0.398 nan 8.370 nan 0.000 0.464 235 M N 0.779 120.029 119.600 -0.584 0.000 2.267 235 M HA 0.240 4.720 4.480 -0.000 0.000 0.289 235 M C -1.980 174.077 176.300 -0.404 0.000 1.043 235 M CA -0.495 54.545 55.300 -0.432 0.000 0.928 235 M CB 2.206 34.706 32.600 -0.166 0.000 1.613 235 M HN -0.297 nan 8.290 nan 0.000 0.450 236 N N 4.410 122.787 118.700 -0.537 0.000 2.295 236 N HA 0.470 5.210 4.740 -0.000 0.000 0.293 236 N C -1.987 173.126 175.510 -0.663 0.000 1.040 236 N CA -0.322 52.462 53.050 -0.444 0.000 0.840 236 N CB 1.935 40.219 38.487 -0.337 0.000 1.468 236 N HN 0.512 nan 8.380 nan 0.000 0.478 237 F N 1.043 120.819 119.950 -0.290 0.000 2.325 237 F HA 0.284 4.811 4.527 -0.000 0.000 0.369 237 F C 0.362 176.037 175.800 -0.208 0.000 1.095 237 F CA -0.776 56.974 58.000 -0.415 0.000 1.082 237 F CB 1.201 39.606 39.000 -0.992 0.000 1.289 237 F HN 0.050 nan 8.300 nan 0.000 0.462 238 V N 4.170 124.110 119.914 0.043 0.000 2.389 238 V HA 0.420 4.540 4.120 -0.000 0.000 0.264 238 V C 0.577 176.855 176.094 0.307 0.000 1.049 238 V CA -0.883 61.467 62.300 0.083 0.000 0.932 238 V CB 0.567 32.244 31.823 -0.244 0.000 1.011 238 V HN 0.817 nan 8.190 nan 0.000 0.475 239 A N 7.478 130.538 122.820 0.399 0.000 2.524 239 A HA 0.426 4.746 4.320 -0.000 0.000 0.250 239 A C -0.175 177.471 177.584 0.103 0.000 1.078 239 A CA 0.109 52.316 52.037 0.282 0.000 0.761 239 A CB -0.186 18.966 19.000 0.253 0.000 1.012 239 A HN 0.600 nan 8.150 nan 0.000 0.500 240 I N 1.940 122.515 120.570 0.008 0.000 2.389 240 I HA 0.560 4.729 4.170 -0.000 0.000 0.288 240 I C 0.489 176.603 176.117 -0.006 0.000 0.999 240 I CA -0.185 61.149 61.300 0.057 0.000 1.129 240 I CB 0.935 39.048 38.000 0.188 0.000 1.288 240 I HN 0.739 nan 8.210 nan 0.000 0.444 241 A N 6.233 129.060 122.820 0.013 0.000 2.380 241 A HA 0.868 5.188 4.320 -0.000 0.000 0.315 241 A C -0.666 176.922 177.584 0.007 0.000 1.101 241 A CA -0.561 51.477 52.037 0.002 0.000 0.771 241 A CB 1.825 20.838 19.000 0.022 0.000 1.287 241 A HN 0.696 nan 8.150 nan 0.000 0.436 242 E N 0.349 120.551 120.200 0.002 0.000 2.292 242 E HA 0.385 4.735 4.350 -0.000 0.000 0.272 242 E C -1.018 175.586 176.600 0.007 0.000 0.881 242 E CA -0.837 55.564 56.400 0.001 0.000 0.754 242 E CB 1.445 31.140 29.700 -0.007 0.000 1.201 242 E HN 0.750 nan 8.360 nan 0.000 0.425 243 N N 1.588 120.294 118.700 0.010 0.000 2.721 243 N HA -0.272 4.468 4.740 -0.000 0.000 0.249 243 N C 0.622 176.144 175.510 0.019 0.000 1.072 243 N CA 0.383 53.441 53.050 0.013 0.000 0.710 243 N CB -0.889 37.603 38.487 0.008 0.000 0.993 243 N HN 0.958 nan 8.380 nan 0.000 0.547 244 G N -0.313 108.502 108.800 0.026 0.000 2.155 244 G HA2 -0.410 3.550 3.960 -0.000 0.000 0.257 244 G HA3 -0.410 3.550 3.960 -0.000 0.000 0.257 244 G C -0.036 174.885 174.900 0.036 0.000 0.983 244 G CA 1.035 46.157 45.100 0.036 0.000 0.676 244 G HN 0.821 nan 8.290 nan 0.000 0.528 245 K N -0.285 120.129 120.400 0.024 0.000 2.316 245 K HA 0.741 5.061 4.320 -0.000 0.000 0.251 245 K C -0.459 176.140 176.600 -0.003 0.000 0.934 245 K CA -1.326 54.972 56.287 0.019 0.000 0.802 245 K CB 1.596 34.104 32.500 0.014 0.000 1.171 245 K HN 0.008 nan 8.250 nan 0.000 0.426 246 L N 3.987 125.199 121.223 -0.019 0.000 2.410 246 L HA 0.064 4.404 4.340 -0.000 0.000 0.273 246 L C 0.828 177.618 176.870 -0.133 0.000 1.152 246 L CA 0.370 55.148 54.840 -0.102 0.000 0.855 246 L CB 1.581 43.551 42.059 -0.148 0.000 1.129 246 L HN 0.711 nan 8.230 nan 0.000 0.463 247 V N 0.584 120.414 119.914 -0.139 0.000 3.570 247 V HA 0.778 4.898 4.120 -0.000 0.000 0.257 247 V C 0.678 176.687 176.094 -0.140 0.000 1.272 247 V CA 0.649 62.898 62.300 -0.085 0.000 1.079 247 V CB -0.127 31.704 31.823 0.013 0.000 0.829 247 V HN 0.813 nan 8.190 nan 0.000 0.454 248 G N -0.478 108.139 108.800 -0.306 0.000 2.341 248 G HA2 0.555 4.515 3.960 -0.000 0.000 0.299 248 G HA3 0.555 4.515 3.960 -0.000 0.000 0.299 248 G C -2.159 172.308 174.900 -0.721 0.000 1.274 248 G CA -0.595 44.166 45.100 -0.566 0.000 0.853 248 G HN 0.061 nan 8.290 nan 0.000 0.493 249 F N -0.037 119.684 119.950 -0.382 0.000 2.601 249 F HA 0.554 5.081 4.527 -0.000 0.000 0.309 249 F C -0.277 175.460 175.800 -0.106 0.000 1.089 249 F CA -1.106 56.818 58.000 -0.127 0.000 0.940 249 F CB 2.531 41.554 39.000 0.039 0.000 1.273 249 F HN 0.188 nan 8.300 nan 0.000 0.450 250 N N 1.867 120.680 118.700 0.187 0.000 2.455 250 N HA 0.398 5.138 4.740 -0.000 0.000 0.280 250 N C -1.264 174.204 175.510 -0.071 0.000 1.055 250 N CA -0.418 52.671 53.050 0.065 0.000 0.961 250 N CB 1.533 39.943 38.487 -0.129 0.000 1.121 250 N HN 0.516 nan 8.380 nan 0.000 0.476 251 L N 3.439 124.598 121.223 -0.108 0.000 2.275 251 L HA 0.499 4.839 4.340 -0.000 0.000 0.288 251 L C -1.344 175.305 176.870 -0.368 0.000 1.046 251 L CA -0.361 54.271 54.840 -0.346 0.000 0.805 251 L CB 0.543 42.420 42.059 -0.303 0.000 1.193 251 L HN 0.347 nan 8.230 nan 0.000 0.426 252 L N 5.963 126.918 121.223 -0.447 0.000 2.356 252 L HA 0.677 5.017 4.340 -0.000 0.000 0.277 252 L C -0.785 175.777 176.870 -0.513 0.000 0.996 252 L CA -0.223 54.401 54.840 -0.360 0.000 0.822 252 L CB 2.074 44.014 42.059 -0.199 0.000 1.256 252 L HN 0.348 nan 8.230 nan 0.000 0.413 253 V N 1.801 121.350 119.914 -0.608 0.000 2.735 253 V HA 0.811 4.931 4.120 -0.000 0.000 0.310 253 V C 0.580 176.422 176.094 -0.421 0.000 1.061 253 V CA 0.014 61.922 62.300 -0.654 0.000 0.913 253 V CB 1.639 32.768 31.823 -1.156 0.000 1.005 253 V HN 0.825 nan 8.190 nan 0.000 0.428 254 G N 2.955 111.540 108.800 -0.358 0.000 2.154 254 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.186 254 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.186 254 G C 0.400 175.192 174.900 -0.180 0.000 1.000 254 G CA -0.208 44.740 45.100 -0.252 0.000 0.664 254 G HN 1.347 nan 8.290 nan 0.000 0.513 255 G N -0.523 108.168 108.800 -0.181 0.000 2.539 255 G HA2 0.777 4.737 3.960 -0.000 0.000 0.258 255 G HA3 0.777 4.737 3.960 -0.000 0.000 0.258 255 G C 0.333 175.139 174.900 -0.157 0.000 1.202 255 G CA -0.009 45.019 45.100 -0.120 0.000 0.851 255 G HN 1.587 nan 8.290 nan 0.000 0.556 256 G N -0.440 108.285 108.800 -0.124 0.000 2.503 256 G HA2 0.374 4.334 3.960 -0.000 0.000 0.305 256 G HA3 0.374 4.334 3.960 -0.000 0.000 0.305 256 G C 0.086 174.926 174.900 -0.102 0.000 1.575 256 G CA -0.716 44.303 45.100 -0.136 0.000 0.890 256 G HN 0.572 nan 8.290 nan 0.000 0.612 257 L N 0.845 122.017 121.223 -0.086 0.000 2.575 257 L HA 0.258 4.598 4.340 -0.000 0.000 0.228 257 L C 1.769 178.603 176.870 -0.061 0.000 1.075 257 L CA 0.075 54.872 54.840 -0.071 0.000 0.867 257 L CB 0.494 42.509 42.059 -0.074 0.000 1.097 257 L HN 0.551 nan 8.230 nan 0.000 0.485 258 S N 1.662 117.330 115.700 -0.052 0.000 2.544 258 S HA 0.238 4.708 4.470 -0.000 0.000 0.290 258 S C -0.085 174.522 174.600 0.013 0.000 1.276 258 S CA -0.234 57.949 58.200 -0.029 0.000 1.075 258 S CB -0.179 63.011 63.200 -0.017 0.000 0.849 258 S HN 0.264 nan 8.310 nan 0.000 0.494 259 I N 1.121 121.700 120.570 0.015 0.000 3.239 259 I HA 0.733 4.903 4.170 -0.000 0.000 0.314 259 I C -0.706 175.438 176.117 0.046 0.000 1.126 259 I CA -1.173 60.190 61.300 0.105 0.000 0.973 259 I CB 2.132 40.247 38.000 0.192 0.000 1.252 259 I HN 0.480 nan 8.210 nan 0.000 0.463 260 E N 1.129 121.395 120.200 0.110 0.000 2.234 260 E HA 0.340 4.690 4.350 -0.000 0.000 0.266 260 E C -1.192 175.479 176.600 0.118 0.000 0.877 260 E CA -0.828 55.591 56.400 0.031 0.000 0.758 260 E CB 1.015 30.726 29.700 0.019 0.000 1.170 260 E HN 0.556 nan 8.360 nan 0.000 0.415 261 H N 2.088 121.250 119.070 0.154 0.000 3.094 261 H HA 0.000 4.556 4.556 0.000 0.000 0.320 261 H C 1.299 176.668 175.328 0.068 0.000 1.000 261 H CA 1.733 57.890 56.048 0.183 0.000 1.413 261 H CB 0.876 30.710 29.762 0.120 0.000 1.405 261 H HN 0.966 nan 8.280 nan 0.000 0.586 262 G N 3.620 112.533 108.800 0.189 0.000 2.196 262 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.268 262 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.268 262 G C 0.645 175.332 174.900 -0.355 0.000 0.975 262 G CA 0.518 45.555 45.100 -0.105 0.000 0.648 262 G HN 0.674 nan 8.290 nan 0.000 0.538 263 N N 0.657 119.130 118.700 -0.377 0.000 2.645 263 N HA 0.297 5.037 4.740 -0.000 0.000 0.233 263 N C 1.236 176.370 175.510 -0.628 0.000 1.058 263 N CA -0.269 52.568 53.050 -0.355 0.000 0.942 263 N CB 0.304 38.702 38.487 -0.149 0.000 1.210 263 N HN 0.398 nan 8.380 nan 0.000 0.512 264 K N 1.587 121.512 120.400 -0.793 0.000 2.574 264 K HA -0.017 4.303 4.320 -0.000 0.000 0.193 264 K C 0.803 177.253 176.600 -0.251 0.000 1.035 264 K CA 0.663 56.388 56.287 -0.936 0.000 0.982 264 K CB 0.415 32.520 32.500 -0.658 0.000 0.795 264 K HN 0.416 nan 8.250 nan 0.000 0.491 265 K N 0.564 120.883 120.400 -0.136 0.000 2.393 265 K HA -0.010 4.310 4.320 -0.000 0.000 0.193 265 K C 0.673 177.298 176.600 0.042 0.000 1.026 265 K CA 0.479 56.768 56.287 0.004 0.000 1.064 265 K CB 0.565 33.016 32.500 -0.082 0.000 0.833 265 K HN 0.186 nan 8.250 nan 0.000 0.521 266 T N -1.032 113.584 114.554 0.103 0.000 2.925 266 T HA 0.528 4.878 4.350 -0.000 0.000 0.285 266 T C -0.618 174.362 174.700 0.466 0.000 1.021 266 T CA -0.783 61.413 62.100 0.159 0.000 1.042 266 T CB 1.024 69.979 68.868 0.145 0.000 1.037 266 T HN 0.143 nan 8.240 nan 0.000 0.481 267 Y N -1.439 119.123 120.300 0.438 0.000 2.662 267 Y HA 0.732 5.282 4.550 -0.000 0.000 0.334 267 Y C -0.735 175.195 175.900 0.049 0.000 1.185 267 Y CA -1.943 56.320 58.100 0.273 0.000 1.074 267 Y CB 0.519 39.136 38.460 0.262 0.000 1.330 267 Y HN 0.961 nan 8.280 nan 0.000 0.458 268 A N 2.660 125.595 122.820 0.192 0.000 2.316 268 A HA 0.841 5.161 4.320 -0.000 0.000 0.284 268 A C -0.339 177.305 177.584 0.100 0.000 1.115 268 A CA -0.681 51.389 52.037 0.054 0.000 0.812 268 A CB 0.873 19.852 19.000 -0.035 0.000 1.064 268 A HN 0.814 nan 8.150 nan 0.000 0.489 269 R N 0.292 120.811 120.500 0.031 0.000 2.698 269 R HA 0.542 4.882 4.340 -0.000 0.000 0.275 269 R C -0.613 175.669 176.300 -0.030 0.000 1.001 269 R CA -0.204 55.903 56.100 0.011 0.000 0.896 269 R CB 1.899 32.227 30.300 0.046 0.000 1.218 269 R HN 0.874 nan 8.270 nan 0.000 0.462 270 T N 0.121 114.643 114.554 -0.053 0.000 2.918 270 T HA 0.638 4.988 4.350 -0.000 0.000 0.283 270 T C 0.370 175.107 174.700 0.062 0.000 1.001 270 T CA -0.786 61.292 62.100 -0.037 0.000 1.041 270 T CB 1.615 70.295 68.868 -0.313 0.000 1.028 270 T HN 0.621 nan 8.240 nan 0.000 0.511 271 A N 1.642 124.642 122.820 0.300 0.000 2.371 271 A HA 0.574 4.894 4.320 -0.000 0.000 0.257 271 A C 0.470 178.105 177.584 0.086 0.000 1.089 271 A CA -0.651 51.439 52.037 0.088 0.000 0.794 271 A CB -0.034 18.947 19.000 -0.032 0.000 1.029 271 A HN 0.798 nan 8.150 nan 0.000 0.488 272 S N 0.860 116.557 115.700 -0.005 0.000 2.509 272 S HA 0.312 4.782 4.470 -0.000 0.000 0.297 272 S C -0.327 174.319 174.600 0.075 0.000 1.118 272 S CA -0.553 57.684 58.200 0.063 0.000 1.074 272 S CB 1.043 64.309 63.200 0.109 0.000 1.038 272 S HN 0.721 nan 8.310 nan 0.000 0.498 273 E N 1.479 121.756 120.200 0.129 0.000 2.344 273 E HA 0.125 4.474 4.350 -0.000 0.000 0.270 273 E C -0.341 176.398 176.600 0.231 0.000 1.021 273 E CA -0.032 56.445 56.400 0.129 0.000 0.887 273 E CB 0.395 30.181 29.700 0.143 0.000 0.997 273 E HN 0.492 nan 8.360 nan 0.000 0.429 274 F N 1.060 120.868 119.950 -0.236 0.000 2.419 274 F HA 0.316 4.842 4.527 -0.000 0.000 0.283 274 F C 1.186 176.733 175.800 -0.421 0.000 1.044 274 F CA 0.937 58.685 58.000 -0.421 0.000 1.376 274 F CB 0.408 38.954 39.000 -0.756 0.000 1.131 274 F HN 0.637 nan 8.300 nan 0.000 0.585 275 G N -1.668 107.069 108.800 -0.105 0.000 2.359 275 G HA2 0.186 4.146 3.960 -0.000 0.000 0.293 275 G HA3 0.186 4.146 3.960 -0.000 0.000 0.293 275 G C -2.217 172.847 174.900 0.273 0.000 1.300 275 G CA -0.920 44.242 45.100 0.103 0.000 0.888 275 G HN -0.010 nan 8.290 nan 0.000 0.541 276 Y N 0.296 120.751 120.300 0.259 0.000 2.352 276 Y HA 0.772 5.322 4.550 -0.000 0.000 0.326 276 Y C 0.022 176.119 175.900 0.329 0.000 1.166 276 Y CA -0.724 57.522 58.100 0.244 0.000 1.182 276 Y CB 1.382 39.928 38.460 0.143 0.000 1.216 276 Y HN 0.825 nan 8.280 nan 0.000 0.474 277 L N 4.127 125.050 121.223 -0.500 0.000 2.455 277 L HA 0.748 5.088 4.340 -0.000 0.000 0.264 277 L C -3.126 173.364 176.870 -0.633 0.000 0.968 277 L CA -2.461 52.208 54.840 -0.286 0.000 0.827 277 L CB 1.927 44.004 42.059 0.030 0.000 1.317 277 L HN 0.373 nan 8.230 nan 0.000 0.407 278 P HA 0.092 nan 4.420 nan 0.000 0.269 278 P C 0.710 177.804 177.300 -0.342 0.000 1.209 278 P CA -0.358 62.594 63.100 -0.246 0.000 0.776 278 P CB 0.770 32.388 31.700 -0.137 0.000 0.876 279 L N 3.713 124.704 121.223 -0.386 0.000 2.137 279 L HA -0.249 4.091 4.340 -0.000 0.000 0.213 279 L C 2.047 178.675 176.870 -0.403 0.000 1.085 279 L CA 1.925 56.462 54.840 -0.504 0.000 0.760 279 L CB -1.140 40.654 42.059 -0.441 0.000 0.893 279 L HN 0.511 nan 8.230 nan 0.000 0.434 280 E N -2.397 117.606 120.200 -0.328 0.000 2.265 280 E HA -0.240 4.110 4.350 -0.000 0.000 0.196 280 E C 1.097 177.538 176.600 -0.265 0.000 0.996 280 E CA 1.403 57.634 56.400 -0.282 0.000 0.832 280 E CB -0.531 28.948 29.700 -0.368 0.000 0.756 280 E HN 0.615 nan 8.360 nan 0.000 0.491 281 H N 0.612 119.621 119.070 -0.102 0.000 2.529 281 H HA 0.184 4.740 4.556 -0.000 0.000 0.277 281 H C 1.393 176.671 175.328 -0.084 0.000 1.004 281 H CA 0.694 56.690 56.048 -0.087 0.000 1.167 281 H CB 0.252 29.949 29.762 -0.109 0.000 1.445 281 H HN 0.160 nan 8.280 nan 0.000 0.554 282 T N 1.550 116.056 114.554 -0.080 0.000 2.597 282 T HA -0.154 4.196 4.350 -0.000 0.000 0.267 282 T C 2.342 176.965 174.700 -0.127 0.000 1.053 282 T CA 1.138 63.122 62.100 -0.192 0.000 1.165 282 T CB -0.260 68.254 68.868 -0.590 0.000 0.863 282 T HN 0.276 nan 8.240 nan 0.000 0.427 283 L N 0.599 121.759 121.223 -0.104 0.000 2.131 283 L HA -0.059 4.281 4.340 -0.000 0.000 0.210 283 L C 3.030 179.842 176.870 -0.096 0.000 1.092 283 L CA 1.131 55.812 54.840 -0.266 0.000 0.759 283 L CB -0.726 40.996 42.059 -0.561 0.000 0.903 283 L HN 0.275 nan 8.230 nan 0.000 0.435 284 A N -0.455 122.368 122.820 0.005 0.000 1.968 284 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 284 A C 2.311 179.951 177.584 0.092 0.000 1.169 284 A CA 1.225 53.302 52.037 0.065 0.000 0.638 284 A CB -0.516 18.512 19.000 0.045 0.000 0.812 284 A HN 0.188 nan 8.150 nan 0.000 0.446 285 V N -0.322 119.665 119.914 0.122 0.000 2.453 285 V HA -0.153 3.967 4.120 -0.000 0.000 0.247 285 V C 3.009 179.273 176.094 0.284 0.000 1.048 285 V CA 1.623 64.047 62.300 0.207 0.000 1.049 285 V CB -0.949 31.050 31.823 0.294 0.000 0.672 285 V HN 0.589 nan 8.190 nan 0.000 0.457 286 A N -0.351 122.653 122.820 0.307 0.000 1.877 286 A HA -0.275 4.045 4.320 -0.000 0.000 0.216 286 A C 2.277 179.998 177.584 0.228 0.000 1.186 286 A CA 2.066 54.315 52.037 0.353 0.000 0.620 286 A CB -0.497 18.668 19.000 0.275 0.000 0.822 286 A HN 0.593 nan 8.150 nan 0.000 0.443 287 E N -0.295 120.035 120.200 0.217 0.000 2.072 287 E HA -0.102 4.248 4.350 -0.000 0.000 0.191 287 E C 2.163 178.785 176.600 0.037 0.000 0.985 287 E CA 0.913 57.388 56.400 0.124 0.000 0.801 287 E CB -0.230 29.593 29.700 0.206 0.000 0.750 287 E HN 0.538 nan 8.360 nan 0.000 0.452 288 A N 0.472 123.332 122.820 0.067 0.000 1.902 288 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 288 A C 2.382 179.970 177.584 0.007 0.000 1.181 288 A CA 1.378 53.425 52.037 0.017 0.000 0.623 288 A CB -0.624 18.405 19.000 0.049 0.000 0.818 288 A HN 0.223 nan 8.150 nan 0.000 0.443 289 V N -0.446 119.540 119.914 0.119 0.000 2.358 289 V HA -0.216 3.904 4.120 -0.000 0.000 0.246 289 V C 2.586 178.712 176.094 0.054 0.000 1.047 289 V CA 1.918 64.345 62.300 0.211 0.000 1.035 289 V CB -0.652 31.341 31.823 0.284 0.000 0.658 289 V HN 0.377 nan 8.190 nan 0.000 0.452 290 V N 0.923 120.753 119.914 -0.140 0.000 2.295 290 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 290 V C 2.803 178.735 176.094 -0.270 0.000 1.049 290 V CA 2.659 64.702 62.300 -0.428 0.000 1.024 290 V CB -1.198 30.356 31.823 -0.449 0.000 0.648 290 V HN 0.833 nan 8.190 nan 0.000 0.447 291 T N -3.077 111.363 114.554 -0.190 0.000 2.867 291 T HA -0.182 4.168 4.350 -0.000 0.000 0.268 291 T C 1.773 176.328 174.700 -0.241 0.000 1.057 291 T CA 1.857 63.851 62.100 -0.175 0.000 1.136 291 T CB -0.668 68.119 68.868 -0.135 0.000 0.874 291 T HN 0.442 nan 8.240 nan 0.000 0.466 292 T N 1.816 116.157 114.554 -0.355 0.000 2.821 292 T HA -0.098 4.252 4.350 -0.000 0.000 0.267 292 T C 2.025 176.400 174.700 -0.543 0.000 1.046 292 T CA 1.522 63.177 62.100 -0.741 0.000 1.139 292 T CB -0.362 67.815 68.868 -1.151 0.000 0.871 292 T HN 0.484 nan 8.240 nan 0.000 0.454 293 Q N 1.761 121.495 119.800 -0.109 0.000 2.083 293 Q HA 0.011 4.351 4.340 -0.000 0.000 0.198 293 Q C 2.251 178.299 176.000 0.080 0.000 0.969 293 Q CA 1.453 57.364 55.803 0.180 0.000 0.838 293 Q CB -0.384 28.521 28.738 0.278 0.000 0.900 293 Q HN 0.434 nan 8.270 nan 0.000 0.436 294 R N -0.188 120.290 120.500 -0.036 0.000 2.081 294 R HA -0.155 4.184 4.340 -0.000 0.000 0.235 294 R C 0.843 177.169 176.300 0.043 0.000 1.131 294 R CA 1.887 57.972 56.100 -0.026 0.000 0.960 294 R CB -0.207 30.044 30.300 -0.081 0.000 0.856 294 R HN 0.334 nan 8.270 nan 0.000 0.436 295 D N -0.776 119.643 120.400 0.033 0.000 2.162 295 D HA -0.112 4.528 4.640 -0.000 0.000 0.205 295 D C 1.532 178.046 176.300 0.357 0.000 0.964 295 D CA 0.870 54.959 54.000 0.150 0.000 0.847 295 D CB -0.250 40.621 40.800 0.118 0.000 0.988 295 D HN 0.335 nan 8.370 nan 0.000 0.480 296 W N 1.921 123.237 121.300 0.027 0.000 2.863 296 W HA 0.338 4.998 4.660 -0.000 0.000 0.258 296 W C 1.296 177.877 176.519 0.103 0.000 1.298 296 W CA -0.720 56.661 57.345 0.060 0.000 1.451 296 W CB -0.982 28.516 29.460 0.063 0.000 1.107 296 W HN -0.218 nan 8.180 nan 0.000 0.641 297 G N 1.620 110.613 108.800 0.322 0.000 2.559 297 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.235 297 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.235 297 G C 0.318 175.324 174.900 0.175 0.000 1.266 297 G CA -0.413 44.831 45.100 0.239 0.000 0.847 297 G HN -0.015 nan 8.290 nan 0.000 0.583 298 N N 0.694 119.480 118.700 0.142 0.000 2.411 298 N HA -0.035 4.705 4.740 -0.000 0.000 0.265 298 N C 1.274 176.830 175.510 0.075 0.000 1.266 298 N CA -0.253 52.850 53.050 0.088 0.000 0.889 298 N CB 0.473 38.990 38.487 0.050 0.000 1.069 298 N HN 0.379 nan 8.380 nan 0.000 0.476 299 R N 2.331 122.870 120.500 0.065 0.000 2.240 299 R HA 0.011 4.351 4.340 -0.000 0.000 0.203 299 R C 1.104 177.430 176.300 0.044 0.000 1.011 299 R CA 0.699 56.836 56.100 0.061 0.000 1.007 299 R CB -0.192 30.141 30.300 0.056 0.000 0.911 299 R HN 0.583 nan 8.270 nan 0.000 0.468 300 T N -0.038 114.533 114.554 0.029 0.000 3.031 300 T HA -0.012 4.338 4.350 -0.000 0.000 0.236 300 T C 0.385 175.090 174.700 0.008 0.000 1.005 300 T CA 0.215 62.324 62.100 0.015 0.000 1.230 300 T CB -0.093 68.777 68.868 0.003 0.000 0.913 300 T HN 0.039 nan 8.240 nan 0.000 0.419 301 D N 0.975 121.370 120.400 -0.008 0.000 2.249 301 D HA 0.225 4.865 4.640 -0.000 0.000 0.246 301 D C 1.026 177.312 176.300 -0.023 0.000 1.114 301 D CA -0.544 53.440 54.000 -0.026 0.000 0.854 301 D CB 1.225 41.989 40.800 -0.060 0.000 1.132 301 D HN 0.134 nan 8.370 nan 0.000 0.461 302 R N 3.198 123.692 120.500 -0.009 0.000 2.189 302 R HA -0.035 4.305 4.340 -0.000 0.000 0.223 302 R C 0.878 177.169 176.300 -0.015 0.000 1.092 302 R CA 1.198 57.303 56.100 0.008 0.000 0.989 302 R CB 0.146 30.460 30.300 0.024 0.000 0.876 302 R HN 0.288 nan 8.270 nan 0.000 0.457 303 K N -0.210 120.151 120.400 -0.066 0.000 2.487 303 K HA 0.022 4.342 4.320 -0.000 0.000 0.192 303 K C 0.878 177.292 176.600 -0.310 0.000 1.027 303 K CA 0.546 56.766 56.287 -0.112 0.000 1.054 303 K CB 0.146 32.571 32.500 -0.125 0.000 0.824 303 K HN 0.216 nan 8.250 nan 0.000 0.510 304 N N 0.160 118.669 118.700 -0.318 0.000 2.241 304 N HA 0.123 4.862 4.740 -0.000 0.000 0.238 304 N C 0.407 175.861 175.510 -0.095 0.000 1.244 304 N CA 0.080 52.775 53.050 -0.592 0.000 0.880 304 N CB 0.832 39.054 38.487 -0.441 0.000 1.179 304 N HN 0.095 nan 8.380 nan 0.000 0.513 305 A N 0.401 123.251 122.820 0.049 0.000 2.178 305 A HA 0.099 4.419 4.320 -0.000 0.000 0.211 305 A C 1.059 178.764 177.584 0.202 0.000 1.157 305 A CA 0.268 52.382 52.037 0.128 0.000 0.780 305 A CB 0.056 19.106 19.000 0.083 0.000 0.828 305 A HN 0.150 nan 8.150 nan 0.000 0.476 306 K N 0.193 120.766 120.400 0.289 0.000 2.319 306 K HA 0.215 4.535 4.320 -0.000 0.000 0.265 306 K C 1.132 177.829 176.600 0.162 0.000 1.000 306 K CA 0.812 57.212 56.287 0.189 0.000 0.943 306 K CB 0.388 32.957 32.500 0.114 0.000 0.950 306 K HN 0.160 nan 8.250 nan 0.000 0.485 307 T N 3.305 117.919 114.554 0.099 0.000 2.737 307 T HA -0.228 4.122 4.350 -0.000 0.000 0.269 307 T C 1.296 175.978 174.700 -0.029 0.000 1.040 307 T CA 2.019 64.161 62.100 0.070 0.000 1.142 307 T CB -0.276 68.602 68.868 0.017 0.000 0.861 307 T HN 0.732 nan 8.240 nan 0.000 0.456 308 K N 0.358 120.678 120.400 -0.133 0.000 2.152 308 K HA -0.178 4.141 4.320 -0.000 0.000 0.206 308 K C 1.722 178.271 176.600 -0.085 0.000 1.048 308 K CA 1.612 57.794 56.287 -0.175 0.000 0.933 308 K CB -0.545 31.773 32.500 -0.304 0.000 0.721 308 K HN 0.325 nan 8.250 nan 0.000 0.447 309 Y N 2.255 122.604 120.300 0.082 0.000 2.286 309 Y HA -0.019 4.531 4.550 -0.000 0.000 0.293 309 Y C 2.678 178.671 175.900 0.154 0.000 1.124 309 Y CA 1.216 59.381 58.100 0.108 0.000 1.178 309 Y CB -0.576 37.893 38.460 0.016 0.000 1.010 309 Y HN 0.082 nan 8.280 nan 0.000 0.536 310 T N 0.666 115.406 114.554 0.310 0.000 2.708 310 T HA -0.163 4.187 4.350 -0.000 0.000 0.266 310 T C 2.125 177.025 174.700 0.334 0.000 1.037 310 T CA 1.300 63.607 62.100 0.344 0.000 1.146 310 T CB -0.602 68.526 68.868 0.433 0.000 0.865 310 T HN 0.212 nan 8.240 nan 0.000 0.435 311 L N 0.797 122.137 121.223 0.196 0.000 2.083 311 L HA -0.097 4.243 4.340 -0.000 0.000 0.209 311 L C 2.857 179.833 176.870 0.177 0.000 1.083 311 L CA 1.163 56.089 54.840 0.143 0.000 0.752 311 L CB -0.451 41.594 42.059 -0.022 0.000 0.899 311 L HN 0.212 nan 8.230 nan 0.000 0.433 312 E N -0.373 119.937 120.200 0.183 0.000 2.152 312 E HA -0.164 4.186 4.350 -0.000 0.000 0.192 312 E C 2.173 178.877 176.600 0.173 0.000 0.983 312 E CA 0.677 57.182 56.400 0.175 0.000 0.818 312 E CB -0.009 29.833 29.700 0.237 0.000 0.758 312 E HN 0.407 nan 8.360 nan 0.000 0.467 313 R N 0.697 121.317 120.500 0.200 0.000 2.062 313 R HA -0.078 4.262 4.340 -0.000 0.000 0.226 313 R C 2.447 178.822 176.300 0.124 0.000 1.125 313 R CA 1.451 57.643 56.100 0.154 0.000 0.966 313 R CB 0.088 30.484 30.300 0.159 0.000 0.861 313 R HN 0.164 nan 8.270 nan 0.000 0.433 314 V N -2.881 117.140 119.914 0.179 0.000 2.725 314 V HA 0.369 4.489 4.120 -0.000 0.000 0.247 314 V C 0.690 176.887 176.094 0.172 0.000 1.058 314 V CA 0.697 63.088 62.300 0.152 0.000 1.080 314 V CB -0.101 31.869 31.823 0.245 0.000 0.713 314 V HN 0.470 nan 8.190 nan 0.000 0.465 315 G N -0.734 108.187 108.800 0.202 0.000 2.784 315 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.686 315 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.686 315 G C -0.168 174.845 174.900 0.188 0.000 1.156 315 G CA -0.357 44.835 45.100 0.153 0.000 0.757 315 G HN 0.568 nan 8.290 nan 0.000 0.642 316 V N 1.706 121.690 119.914 0.117 0.000 2.287 316 V HA -0.178 3.942 4.120 -0.000 0.000 0.248 316 V C 2.738 178.803 176.094 -0.049 0.000 1.053 316 V CA 2.789 65.128 62.300 0.066 0.000 1.027 316 V CB -0.381 31.464 31.823 0.037 0.000 0.646 316 V HN 0.793 nan 8.190 nan 0.000 0.447 317 E N -0.048 120.139 120.200 -0.021 0.000 2.110 317 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 317 E C 2.285 178.905 176.600 0.033 0.000 0.988 317 E CA 1.785 58.160 56.400 -0.041 0.000 0.804 317 E CB -0.664 29.032 29.700 -0.007 0.000 0.745 317 E HN 0.635 nan 8.360 nan 0.000 0.458 318 T N 0.992 115.625 114.554 0.132 0.000 2.770 318 T HA -0.091 4.259 4.350 -0.000 0.000 0.263 318 T C 1.630 176.549 174.700 0.365 0.000 1.039 318 T CA 0.838 63.074 62.100 0.227 0.000 1.142 318 T CB -0.399 68.608 68.868 0.231 0.000 0.868 318 T HN 0.089 nan 8.240 nan 0.000 0.435 319 F N 2.174 122.276 119.950 0.252 0.000 2.146 319 F HA 0.040 4.567 4.527 -0.000 0.000 0.298 319 F C 2.334 178.129 175.800 -0.008 0.000 1.096 319 F CA 1.185 59.302 58.000 0.196 0.000 1.275 319 F CB -0.176 38.987 39.000 0.272 0.000 1.008 319 F HN -0.044 nan 8.300 nan 0.000 0.480 320 K N 0.295 120.696 120.400 0.002 0.000 2.032 320 K HA -0.189 4.131 4.320 -0.000 0.000 0.209 320 K C 2.226 178.835 176.600 0.016 0.000 1.048 320 K CA 1.387 57.481 56.287 -0.322 0.000 0.927 320 K CB -0.493 31.560 32.500 -0.745 0.000 0.712 320 K HN 0.274 nan 8.250 nan 0.000 0.441 321 A N 1.066 123.905 122.820 0.031 0.000 1.940 321 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 321 A C 1.962 179.583 177.584 0.061 0.000 1.176 321 A CA 2.020 54.097 52.037 0.067 0.000 0.631 321 A CB -0.551 18.493 19.000 0.072 0.000 0.814 321 A HN 0.541 nan 8.150 nan 0.000 0.446 322 E N -0.201 120.017 120.200 0.030 0.000 2.107 322 E HA -0.077 4.272 4.350 -0.000 0.000 0.191 322 E C 1.778 178.317 176.600 -0.101 0.000 0.982 322 E CA 1.305 57.662 56.400 -0.072 0.000 0.809 322 E CB -0.344 29.175 29.700 -0.301 0.000 0.756 322 E HN 0.240 nan 8.360 nan 0.000 0.459 323 V N 1.087 120.989 119.914 -0.021 0.000 2.343 323 V HA -0.243 3.877 4.120 -0.000 0.000 0.247 323 V C 2.090 178.247 176.094 0.104 0.000 1.051 323 V CA 2.215 64.582 62.300 0.113 0.000 1.036 323 V CB -0.497 31.588 31.823 0.437 0.000 0.654 323 V HN 0.320 nan 8.190 nan 0.000 0.451 324 E N -0.179 120.096 120.200 0.125 0.000 2.051 324 E HA -0.249 4.101 4.350 -0.000 0.000 0.192 324 E C 2.457 179.025 176.600 -0.054 0.000 0.991 324 E CA 1.253 57.640 56.400 -0.021 0.000 0.799 324 E CB -0.232 29.484 29.700 0.028 0.000 0.748 324 E HN 0.423 nan 8.360 nan 0.000 0.449 325 R N 1.065 121.554 120.500 -0.019 0.000 2.083 325 R HA -0.132 4.208 4.340 -0.000 0.000 0.237 325 R C 2.319 178.595 176.300 -0.040 0.000 1.137 325 R CA 1.417 57.501 56.100 -0.026 0.000 0.951 325 R CB 0.015 30.313 30.300 -0.004 0.000 0.851 325 R HN 0.070 nan 8.270 nan 0.000 0.434 326 R N -0.464 120.007 120.500 -0.047 0.000 2.092 326 R HA -0.045 4.295 4.340 -0.000 0.000 0.231 326 R C 2.210 178.483 176.300 -0.045 0.000 1.119 326 R CA 1.217 57.287 56.100 -0.050 0.000 0.970 326 R CB -0.199 30.056 30.300 -0.074 0.000 0.864 326 R HN 0.241 nan 8.270 nan 0.000 0.440 327 A N 0.154 122.940 122.820 -0.056 0.000 1.970 327 A HA 0.124 4.444 4.320 -0.000 0.000 0.216 327 A C 1.517 179.028 177.584 -0.123 0.000 1.170 327 A CA 1.164 53.155 52.037 -0.077 0.000 0.645 327 A CB -0.187 18.749 19.000 -0.106 0.000 0.816 327 A HN 0.460 nan 8.150 nan 0.000 0.447 328 G N -0.909 107.810 108.800 -0.135 0.000 2.142 328 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.225 328 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.225 328 G C 0.061 174.820 174.900 -0.235 0.000 1.015 328 G CA 0.430 45.446 45.100 -0.141 0.000 0.716 328 G HN 1.582 nan 8.290 nan 0.000 0.508 329 I N -4.629 115.760 120.570 -0.301 0.000 3.191 329 I HA 0.891 5.060 4.170 -0.000 0.000 0.313 329 I C -0.744 175.186 176.117 -0.312 0.000 1.193 329 I CA -1.725 59.338 61.300 -0.394 0.000 0.968 329 I CB 1.893 39.495 38.000 -0.662 0.000 1.262 329 I HN -0.106 nan 8.210 nan 0.000 0.456 330 K N 2.243 122.495 120.400 -0.247 0.000 2.376 330 K HA 0.508 4.828 4.320 -0.000 0.000 0.257 330 K C -1.499 175.033 176.600 -0.112 0.000 0.939 330 K CA -0.603 55.608 56.287 -0.127 0.000 0.809 330 K CB 1.803 34.288 32.500 -0.024 0.000 1.121 330 K HN 0.385 nan 8.250 nan 0.000 0.425 331 F N 1.969 121.948 119.950 0.049 0.000 2.506 331 F HA 0.034 4.561 4.527 -0.000 0.000 0.351 331 F C 1.263 177.130 175.800 0.112 0.000 1.136 331 F CA 0.375 58.431 58.000 0.093 0.000 1.298 331 F CB 0.495 39.560 39.000 0.108 0.000 1.145 331 F HN 0.388 nan 8.300 nan 0.000 0.593 332 E N 2.856 123.276 120.200 0.367 0.000 2.250 332 E HA 0.315 4.665 4.350 -0.000 0.000 0.265 332 E C -2.343 174.419 176.600 0.270 0.000 1.033 332 E CA -2.032 54.537 56.400 0.282 0.000 0.888 332 E CB 0.553 30.447 29.700 0.324 0.000 1.151 332 E HN 0.246 nan 8.360 nan 0.000 0.412 333 P HA -0.056 nan 4.420 nan 0.000 0.268 333 P C -0.407 176.985 177.300 0.154 0.000 1.208 333 P CA 0.097 63.275 63.100 0.130 0.000 0.777 333 P CB 0.399 32.142 31.700 0.072 0.000 0.875 334 I N 2.694 123.354 120.570 0.149 0.000 2.710 334 I HA -0.007 4.163 4.170 -0.000 0.000 0.286 334 I C 1.272 177.464 176.117 0.125 0.000 1.181 334 I CA 0.644 62.052 61.300 0.179 0.000 1.430 334 I CB -0.210 37.904 38.000 0.189 0.000 1.367 334 I HN 0.312 nan 8.210 nan 0.000 0.577 335 R N 6.422 126.996 120.500 0.124 0.000 2.428 335 R HA 0.381 4.721 4.340 -0.000 0.000 0.294 335 R C -2.294 174.100 176.300 0.157 0.000 1.000 335 R CA -1.701 54.422 56.100 0.039 0.000 0.960 335 R CB 0.642 30.875 30.300 -0.112 0.000 1.076 335 R HN 0.321 nan 8.270 nan 0.000 0.475 336 P HA -0.114 nan 4.420 nan 0.000 0.264 336 P C -1.447 175.953 177.300 0.166 0.000 1.179 336 P CA 0.737 63.887 63.100 0.084 0.000 0.763 336 P CB 0.228 31.933 31.700 0.007 0.000 0.806 337 Y N -0.403 119.836 120.300 -0.102 0.000 2.620 337 Y HA 0.682 5.232 4.550 -0.000 0.000 0.331 337 Y C -1.407 174.319 175.900 -0.289 0.000 1.173 337 Y CA -1.393 56.594 58.100 -0.189 0.000 1.076 337 Y CB 1.160 39.496 38.460 -0.207 0.000 1.336 337 Y HN 0.474 nan 8.280 nan 0.000 0.459 338 E N 1.640 121.570 120.200 -0.449 0.000 2.407 338 E HA 0.700 5.050 4.350 -0.000 0.000 0.279 338 E C -2.153 174.181 176.600 -0.443 0.000 1.012 338 E CA -0.837 55.260 56.400 -0.506 0.000 0.800 338 E CB 2.298 31.856 29.700 -0.237 0.000 1.276 338 E HN 0.377 nan 8.360 nan 0.000 0.452 339 F N 0.087 120.077 119.950 0.067 0.000 2.538 339 F HA 0.521 5.048 4.527 0.000 0.000 0.325 339 F C 1.223 177.080 175.800 0.095 0.000 1.066 339 F CA -0.580 57.489 58.000 0.115 0.000 0.946 339 F CB 2.419 41.496 39.000 0.129 0.000 1.199 339 F HN 0.719 nan 8.300 nan 0.000 0.473 340 T N -2.203 112.548 114.554 0.329 0.000 2.971 340 T HA 0.628 4.978 4.350 -0.000 0.000 0.252 340 T C 0.519 175.350 174.700 0.219 0.000 1.022 340 T CA 0.258 62.490 62.100 0.220 0.000 0.980 340 T CB 0.310 69.280 68.868 0.170 0.000 1.044 340 T HN 0.934 nan 8.240 nan 0.000 0.501 341 G N 0.275 109.216 108.800 0.236 0.000 2.342 341 G HA2 0.508 4.468 3.960 -0.000 0.000 0.297 341 G HA3 0.508 4.468 3.960 -0.000 0.000 0.297 341 G C -0.966 174.000 174.900 0.111 0.000 1.313 341 G CA -0.944 44.260 45.100 0.174 0.000 0.830 341 G HN 0.026 nan 8.290 nan 0.000 0.506 342 R N -0.836 119.705 120.500 0.069 0.000 2.541 342 R HA 0.283 4.623 4.340 -0.000 0.000 0.332 342 R C 1.025 177.327 176.300 0.003 0.000 0.951 342 R CA 0.179 56.286 56.100 0.012 0.000 1.136 342 R CB 1.604 31.898 30.300 -0.010 0.000 1.449 342 R HN 0.666 nan 8.270 nan 0.000 0.531 343 G N 0.398 109.202 108.800 0.007 0.000 2.537 343 G HA2 0.178 4.138 3.960 -0.000 0.000 0.273 343 G HA3 0.178 4.138 3.960 -0.000 0.000 0.273 343 G C -0.486 174.401 174.900 -0.020 0.000 1.189 343 G CA -0.366 44.719 45.100 -0.025 0.000 0.881 343 G HN -0.097 nan 8.290 nan 0.000 0.535 344 D N -0.746 119.639 120.400 -0.025 0.000 2.411 344 D HA 0.294 4.934 4.640 -0.000 0.000 0.251 344 D C 0.406 176.691 176.300 -0.025 0.000 1.201 344 D CA 0.072 54.052 54.000 -0.034 0.000 0.996 344 D CB 0.840 41.625 40.800 -0.026 0.000 1.101 344 D HN 0.211 nan 8.370 nan 0.000 0.504 345 R N 0.880 121.362 120.500 -0.031 0.000 2.790 345 R HA 0.283 4.623 4.340 -0.000 0.000 0.274 345 R C -0.351 175.946 176.300 -0.004 0.000 1.334 345 R CA -0.670 55.433 56.100 0.005 0.000 1.543 345 R CB 0.360 30.669 30.300 0.015 0.000 1.154 345 R HN 0.254 nan 8.270 nan 0.000 0.601 346 I N 2.136 122.699 120.570 -0.012 0.000 2.752 346 I HA 0.075 4.245 4.170 -0.000 0.000 0.289 346 I C 1.390 177.486 176.117 -0.035 0.000 1.197 346 I CA 1.221 62.502 61.300 -0.031 0.000 1.432 346 I CB -0.277 37.707 38.000 -0.026 0.000 1.359 346 I HN 0.841 nan 8.210 nan 0.000 0.571 347 G N 6.702 115.438 108.800 -0.108 0.000 2.500 347 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.209 347 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.209 347 G C -1.282 173.533 174.900 -0.141 0.000 1.283 347 G CA -0.798 44.221 45.100 -0.135 0.000 0.960 347 G HN 0.539 nan 8.290 nan 0.000 0.528 348 W N 0.435 121.795 121.300 0.099 0.000 2.315 348 W HA 0.552 5.213 4.660 0.000 0.000 0.316 348 W C 0.713 177.405 176.519 0.289 0.000 1.211 348 W CA 0.074 57.539 57.345 0.200 0.000 1.201 348 W CB 1.681 31.235 29.460 0.156 0.000 1.184 348 W HN 0.806 nan 8.180 nan 0.000 0.544 349 V N 0.696 120.970 119.914 0.600 0.000 2.876 349 V HA 0.542 4.661 4.120 -0.000 0.000 0.312 349 V C -0.711 175.471 176.094 0.147 0.000 1.085 349 V CA -1.913 60.594 62.300 0.346 0.000 0.945 349 V CB 1.723 33.675 31.823 0.214 0.000 1.017 349 V HN 0.507 nan 8.190 nan 0.000 0.428 350 K N 2.377 122.602 120.400 -0.293 0.000 2.276 350 K HA 0.644 4.964 4.320 -0.000 0.000 0.285 350 K C 0.538 176.837 176.600 -0.502 0.000 1.062 350 K CA 0.355 56.095 56.287 -0.912 0.000 0.918 350 K CB 0.928 32.853 32.500 -0.959 0.000 1.055 350 K HN 1.129 nan 8.250 nan 0.000 0.477 351 G N 3.864 112.303 108.800 -0.602 0.000 2.773 351 G HA2 0.323 4.283 3.960 -0.000 0.000 0.186 351 G HA3 0.323 4.283 3.960 -0.000 0.000 0.186 351 G C 0.018 174.765 174.900 -0.256 0.000 1.411 351 G CA -0.831 44.042 45.100 -0.379 0.000 1.054 351 G HN 0.754 nan 8.290 nan 0.000 0.579 352 I N -2.423 118.067 120.570 -0.133 0.000 2.713 352 I HA 0.490 4.660 4.170 -0.000 0.000 0.300 352 I C 0.068 176.129 176.117 -0.093 0.000 1.009 352 I CA -0.645 60.606 61.300 -0.080 0.000 1.305 352 I CB 1.042 39.040 38.000 -0.004 0.000 1.430 352 I HN 0.516 nan 8.210 nan 0.000 0.546 353 D N 2.284 122.644 120.400 -0.066 0.000 3.497 353 D HA -0.263 4.377 4.640 -0.000 0.000 0.178 353 D C 0.129 176.385 176.300 -0.073 0.000 1.185 353 D CA 1.673 55.646 54.000 -0.046 0.000 1.091 353 D CB -0.695 40.095 40.800 -0.016 0.000 0.574 353 D HN 1.039 nan 8.370 nan 0.000 0.650 354 D N 1.174 121.555 120.400 -0.031 0.000 2.525 354 D HA 0.077 4.717 4.640 -0.000 0.000 0.229 354 D C -0.307 176.018 176.300 0.042 0.000 1.202 354 D CA -0.142 53.862 54.000 0.008 0.000 0.828 354 D CB -0.965 39.873 40.800 0.064 0.000 1.008 354 D HN 0.299 nan 8.370 nan 0.000 0.493 355 N N 0.124 118.776 118.700 -0.080 0.000 2.498 355 N HA 0.341 5.081 4.740 -0.000 0.000 0.287 355 N C -1.011 174.337 175.510 -0.270 0.000 1.097 355 N CA -0.497 52.527 53.050 -0.043 0.000 0.973 355 N CB 0.871 39.329 38.487 -0.048 0.000 1.153 355 N HN 0.060 nan 8.380 nan 0.000 0.472 356 W N 0.272 121.506 121.300 -0.110 0.000 2.781 356 W HA 0.361 5.021 4.660 -0.000 0.000 0.345 356 W C -0.301 176.259 176.519 0.070 0.000 1.085 356 W CA -0.530 56.788 57.345 -0.045 0.000 1.198 356 W CB 1.039 30.532 29.460 0.055 0.000 1.423 356 W HN 0.317 nan 8.180 nan 0.000 0.532 357 H N 2.880 122.268 119.070 0.530 0.000 2.589 357 H HA 0.414 4.970 4.556 -0.000 0.000 0.335 357 H C -1.130 174.267 175.328 0.115 0.000 1.019 357 H CA -0.990 55.209 56.048 0.252 0.000 1.213 357 H CB 1.772 31.582 29.762 0.081 0.000 1.472 357 H HN 0.229 nan 8.280 nan 0.000 0.508 358 L N 3.526 124.666 121.223 -0.138 0.000 2.277 358 L HA 0.315 4.655 4.340 -0.000 0.000 0.284 358 L C -0.218 176.397 176.870 -0.425 0.000 1.028 358 L CA -0.131 54.290 54.840 -0.697 0.000 0.835 358 L CB 0.912 42.111 42.059 -1.433 0.000 1.215 358 L HN 0.453 nan 8.230 nan 0.000 0.425 359 T N 6.419 120.794 114.554 -0.299 0.000 2.771 359 T HA 0.511 4.861 4.350 -0.000 0.000 0.291 359 T C -0.058 174.503 174.700 -0.232 0.000 0.954 359 T CA -0.160 61.801 62.100 -0.231 0.000 1.045 359 T CB 0.459 69.245 68.868 -0.137 0.000 0.917 359 T HN 0.409 nan 8.240 nan 0.000 0.484 360 L N 3.553 124.634 121.223 -0.236 0.000 2.295 360 L HA 0.524 4.864 4.340 -0.000 0.000 0.285 360 L C -0.097 176.724 176.870 -0.082 0.000 1.035 360 L CA -1.085 53.648 54.840 -0.178 0.000 0.806 360 L CB 0.898 42.808 42.059 -0.247 0.000 1.214 360 L HN 0.577 nan 8.230 nan 0.000 0.426 361 F N 5.158 125.031 119.950 -0.129 0.000 2.472 361 F HA 0.437 4.964 4.527 -0.000 0.000 0.364 361 F C -0.231 175.529 175.800 -0.066 0.000 1.090 361 F CA -0.231 57.716 58.000 -0.089 0.000 1.188 361 F CB 0.271 39.226 39.000 -0.073 0.000 1.105 361 F HN 0.211 nan 8.300 nan 0.000 0.536 362 I N 6.221 126.304 120.570 -0.813 0.000 2.420 362 I HA 0.152 4.322 4.170 -0.000 0.000 0.282 362 I C -0.280 175.322 176.117 -0.858 0.000 1.019 362 I CA -0.806 60.112 61.300 -0.636 0.000 1.130 362 I CB 1.496 39.325 38.000 -0.285 0.000 1.262 362 I HN 0.592 nan 8.210 nan 0.000 0.454 363 E N 6.856 126.563 120.200 -0.821 0.000 2.493 363 E HA -0.065 4.285 4.350 -0.000 0.000 0.255 363 E C 0.389 176.877 176.600 -0.186 0.000 0.999 363 E CA 0.419 56.549 56.400 -0.450 0.000 0.934 363 E CB 0.255 29.897 29.700 -0.097 0.000 0.940 363 E HN 0.565 nan 8.360 nan 0.000 0.473 364 N N 3.256 121.889 118.700 -0.112 0.000 2.732 364 N HA -0.260 4.480 4.740 -0.000 0.000 0.250 364 N C 0.733 176.225 175.510 -0.029 0.000 1.097 364 N CA 1.188 54.222 53.050 -0.028 0.000 0.812 364 N CB -1.485 37.016 38.487 0.023 0.000 1.148 364 N HN 0.870 nan 8.380 nan 0.000 0.572 365 G N 0.054 108.798 108.800 -0.093 0.000 2.187 365 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.261 365 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.261 365 G C 0.146 175.060 174.900 0.024 0.000 1.000 365 G CA 0.915 45.987 45.100 -0.047 0.000 0.718 365 G HN 0.629 nan 8.290 nan 0.000 0.519 366 R N 0.333 120.860 120.500 0.046 0.000 2.210 366 R HA 0.584 4.924 4.340 -0.000 0.000 0.338 366 R C 0.235 176.609 176.300 0.125 0.000 1.062 366 R CA -0.726 55.441 56.100 0.111 0.000 0.902 366 R CB -0.080 30.313 30.300 0.155 0.000 1.050 366 R HN 0.260 nan 8.270 nan 0.000 0.461 367 I N 6.430 127.062 120.570 0.103 0.000 2.287 367 I HA 0.264 4.434 4.170 -0.000 0.000 0.290 367 I C -0.763 175.359 176.117 0.009 0.000 1.069 367 I CA -0.524 60.826 61.300 0.084 0.000 1.237 367 I CB 0.706 38.796 38.000 0.150 0.000 1.418 367 I HN 0.449 nan 8.210 nan 0.000 0.481 368 L N 5.928 127.066 121.223 -0.143 0.000 2.469 368 L HA 0.539 4.878 4.340 -0.000 0.000 0.256 368 L C -1.295 175.244 176.870 -0.551 0.000 1.006 368 L CA -0.464 54.166 54.840 -0.350 0.000 0.832 368 L CB 2.259 44.023 42.059 -0.493 0.000 1.421 368 L HN 0.240 nan 8.230 nan 0.000 0.410 369 D N 1.848 122.015 120.400 -0.388 0.000 2.295 369 D HA 0.347 4.987 4.640 -0.000 0.000 0.248 369 D C -1.155 174.934 176.300 -0.351 0.000 1.154 369 D CA 0.602 54.442 54.000 -0.267 0.000 0.857 369 D CB 0.526 41.264 40.800 -0.103 0.000 1.117 369 D HN 0.232 nan 8.370 nan 0.000 0.468 370 Y N 1.465 121.787 120.300 0.038 0.000 2.534 370 Y HA 0.368 4.918 4.550 -0.000 0.000 0.329 370 Y C -1.796 174.121 175.900 0.029 0.000 1.154 370 Y CA -2.730 55.391 58.100 0.035 0.000 1.192 370 Y CB 0.592 39.073 38.460 0.035 0.000 1.275 370 Y HN 0.187 nan 8.280 nan 0.000 0.491 371 P HA 0.130 nan 4.420 nan 0.000 0.261 371 P C -0.016 177.347 177.300 0.105 0.000 1.203 371 P CA 1.664 64.835 63.100 0.117 0.000 0.767 371 P CB 0.420 32.178 31.700 0.097 0.000 0.785 372 A N 3.751 126.619 122.820 0.080 0.000 3.383 372 A HA -0.254 4.066 4.320 -0.000 0.000 0.264 372 A C 0.635 178.265 177.584 0.077 0.000 1.154 372 A CA 0.992 53.068 52.037 0.065 0.000 1.179 372 A CB -1.963 17.067 19.000 0.051 0.000 1.133 372 A HN 0.598 nan 8.150 nan 0.000 0.933 373 R N -0.392 120.178 120.500 0.116 0.000 2.629 373 R HA 0.283 4.623 4.340 -0.000 0.000 0.277 373 R C -2.886 173.490 176.300 0.127 0.000 1.637 373 R CA -1.227 54.951 56.100 0.130 0.000 1.663 373 R CB 1.336 31.742 30.300 0.177 0.000 1.228 373 R HN 0.316 nan 8.270 nan 0.000 0.632 374 P HA 0.007 nan 4.420 nan 0.000 0.235 374 P C 0.784 178.105 177.300 0.036 0.000 1.765 374 P CA 0.152 63.275 63.100 0.038 0.000 1.034 374 P CB 0.074 31.794 31.700 0.033 0.000 1.984 375 L N 0.562 121.810 121.223 0.042 0.000 2.012 375 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 375 L C 2.673 179.570 176.870 0.045 0.000 1.073 375 L CA 1.810 56.677 54.840 0.044 0.000 0.748 375 L CB -0.828 41.275 42.059 0.074 0.000 0.891 375 L HN 0.184 nan 8.230 nan 0.000 0.431 376 K N -0.311 120.106 120.400 0.028 0.000 2.025 376 K HA -0.138 4.182 4.320 -0.000 0.000 0.207 376 K C 2.091 178.756 176.600 0.108 0.000 1.049 376 K CA 1.739 58.073 56.287 0.079 0.000 0.933 376 K CB -0.015 32.498 32.500 0.021 0.000 0.714 376 K HN 0.137 nan 8.250 nan 0.000 0.438 377 T N -0.033 114.559 114.554 0.063 0.000 2.746 377 T HA -0.088 4.262 4.350 -0.000 0.000 0.267 377 T C 1.691 176.438 174.700 0.080 0.000 1.039 377 T CA 1.319 63.460 62.100 0.069 0.000 1.142 377 T CB -0.527 68.366 68.868 0.041 0.000 0.866 377 T HN 0.537 nan 8.240 nan 0.000 0.444 378 G N 1.464 110.298 108.800 0.058 0.000 2.476 378 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.218 378 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.218 378 G C 1.436 176.358 174.900 0.037 0.000 1.164 378 G CA 0.638 45.760 45.100 0.037 0.000 0.768 378 G HN 0.464 nan 8.290 nan 0.000 0.560 379 L N -0.335 120.923 121.223 0.058 0.000 2.201 379 L HA 0.063 4.402 4.340 -0.000 0.000 0.212 379 L C 2.594 179.587 176.870 0.204 0.000 1.105 379 L CA 0.113 54.973 54.840 0.033 0.000 0.775 379 L CB -0.238 41.840 42.059 0.031 0.000 0.913 379 L HN 0.222 nan 8.230 nan 0.000 0.440 380 L N -0.498 120.887 121.223 0.269 0.000 2.072 380 L HA -0.107 4.233 4.340 -0.000 0.000 0.205 380 L C 2.526 179.503 176.870 0.179 0.000 1.079 380 L CA 1.697 56.708 54.840 0.284 0.000 0.752 380 L CB -0.499 41.687 42.059 0.210 0.000 0.906 380 L HN 0.108 nan 8.230 nan 0.000 0.436 381 E N 0.013 120.287 120.200 0.123 0.000 2.110 381 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 381 E C 2.330 178.990 176.600 0.100 0.000 0.988 381 E CA 1.684 58.139 56.400 0.092 0.000 0.804 381 E CB -0.279 29.461 29.700 0.066 0.000 0.745 381 E HN 0.594 nan 8.360 nan 0.000 0.458 382 I N 0.859 121.491 120.570 0.103 0.000 2.286 382 I HA -0.208 3.961 4.170 -0.000 0.000 0.245 382 I C 2.451 178.692 176.117 0.208 0.000 1.104 382 I CA 0.872 62.246 61.300 0.122 0.000 1.397 382 I CB -0.298 37.727 38.000 0.042 0.000 1.072 382 I HN -0.016 nan 8.210 nan 0.000 0.417 383 A N 1.026 123.983 122.820 0.228 0.000 1.908 383 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 383 A C 2.280 179.913 177.584 0.082 0.000 1.181 383 A CA 1.688 53.793 52.037 0.113 0.000 0.627 383 A CB -0.468 18.625 19.000 0.156 0.000 0.818 383 A HN 0.343 nan 8.150 nan 0.000 0.445 384 K N -0.467 119.995 120.400 0.104 0.000 2.211 384 K HA -0.044 4.276 4.320 -0.000 0.000 0.203 384 K C 1.617 178.258 176.600 0.069 0.000 1.050 384 K CA 1.580 57.912 56.287 0.075 0.000 0.945 384 K CB -0.300 32.243 32.500 0.072 0.000 0.732 384 K HN 0.850 nan 8.250 nan 0.000 0.451 385 I N -2.758 117.871 120.570 0.097 0.000 4.057 385 I HA 0.141 4.311 4.170 -0.000 0.000 0.334 385 I C 0.529 176.730 176.117 0.140 0.000 1.308 385 I CA -0.509 60.849 61.300 0.096 0.000 1.125 385 I CB -0.058 37.997 38.000 0.091 0.000 1.034 385 I HN -0.099 nan 8.210 nan 0.000 0.401 386 H N 2.857 121.957 119.070 0.050 0.000 2.764 386 H HA 0.255 4.811 4.556 -0.000 0.000 0.341 386 H C 0.886 176.231 175.328 0.029 0.000 1.072 386 H CA 0.163 56.251 56.048 0.066 0.000 1.444 386 H CB 1.066 30.895 29.762 0.112 0.000 1.458 386 H HN -0.025 nan 8.280 nan 0.000 0.572 387 K N 3.254 123.422 120.400 -0.386 0.000 2.044 387 K HA 0.058 4.378 4.320 -0.000 0.000 0.204 387 K C 1.330 177.620 176.600 -0.516 0.000 1.049 387 K CA 1.038 57.113 56.287 -0.353 0.000 0.945 387 K CB -0.173 32.247 32.500 -0.133 0.000 0.724 387 K HN 0.747 nan 8.250 nan 0.000 0.440 388 G N 1.135 109.362 108.800 -0.955 0.000 3.022 388 G HA2 0.235 4.195 3.960 -0.000 0.000 0.157 388 G HA3 0.235 4.195 3.960 -0.000 0.000 0.157 388 G C -0.613 174.099 174.900 -0.314 0.000 1.468 388 G CA -0.196 44.655 45.100 -0.416 0.000 1.058 388 G HN 0.253 nan 8.290 nan 0.000 0.581 389 D N -1.597 118.830 120.400 0.045 0.000 2.712 389 D HA 0.623 5.263 4.640 -0.000 0.000 0.252 389 D C -1.105 175.389 176.300 0.322 0.000 1.123 389 D CA -0.678 53.359 54.000 0.061 0.000 1.109 389 D CB 0.957 41.755 40.800 -0.005 0.000 1.313 389 D HN 0.132 nan 8.370 nan 0.000 0.629 390 F N -0.684 119.273 119.950 0.011 0.000 2.523 390 F HA 0.584 5.111 4.527 -0.000 0.000 0.329 390 F C 0.181 175.925 175.800 -0.093 0.000 1.061 390 F CA -1.143 56.788 58.000 -0.115 0.000 0.967 390 F CB 1.534 40.384 39.000 -0.251 0.000 1.218 390 F HN 0.053 nan 8.300 nan 0.000 0.480 391 R N 2.089 122.622 120.500 0.056 0.000 2.502 391 R HA 0.541 4.881 4.340 -0.000 0.000 0.300 391 R C -1.169 175.119 176.300 -0.019 0.000 0.984 391 R CA -0.643 55.450 56.100 -0.010 0.000 0.882 391 R CB 2.242 32.470 30.300 -0.120 0.000 1.180 391 R HN 0.512 nan 8.270 nan 0.000 0.444 392 I N 3.034 123.633 120.570 0.048 0.000 2.352 392 I HA 0.088 4.258 4.170 -0.000 0.000 0.290 392 I C 1.180 177.308 176.117 0.017 0.000 1.036 392 I CA -0.075 61.255 61.300 0.050 0.000 1.336 392 I CB 1.292 39.375 38.000 0.138 0.000 1.407 392 I HN 0.618 nan 8.210 nan 0.000 0.497 393 T N 2.587 117.131 114.554 -0.017 0.000 2.902 393 T HA 0.441 4.791 4.350 -0.000 0.000 0.280 393 T C 0.954 175.649 174.700 -0.008 0.000 0.992 393 T CA -0.529 61.559 62.100 -0.021 0.000 1.015 393 T CB 1.766 70.606 68.868 -0.046 0.000 1.044 393 T HN 0.630 nan 8.240 nan 0.000 0.520 394 A N 1.160 123.974 122.820 -0.011 0.000 2.252 394 A HA 0.141 4.460 4.320 -0.000 0.000 0.207 394 A C 1.562 179.138 177.584 -0.014 0.000 1.194 394 A CA 0.054 52.083 52.037 -0.013 0.000 0.809 394 A CB -0.719 18.269 19.000 -0.021 0.000 0.814 394 A HN 0.805 nan 8.150 nan 0.000 0.482 395 N N -0.109 118.583 118.700 -0.013 0.000 2.234 395 N HA 0.098 4.838 4.740 -0.000 0.000 0.227 395 N C -0.537 174.966 175.510 -0.011 0.000 1.151 395 N CA 0.091 53.139 53.050 -0.004 0.000 0.865 395 N CB 0.422 38.912 38.487 0.006 0.000 1.066 395 N HN 0.518 nan 8.380 nan 0.000 0.515 396 Q N -0.388 119.400 119.800 -0.019 0.000 2.494 396 Q HA -0.155 4.185 4.340 -0.000 0.000 0.272 396 Q C -0.760 175.195 176.000 -0.075 0.000 1.145 396 Q CA 0.720 56.504 55.803 -0.031 0.000 0.943 396 Q CB -1.264 27.457 28.738 -0.030 0.000 1.338 396 Q HN 0.336 nan 8.270 nan 0.000 0.492 397 N N -0.070 118.586 118.700 -0.073 0.000 2.619 397 N HA 0.787 5.527 4.740 -0.000 0.000 0.294 397 N C -1.172 174.263 175.510 -0.124 0.000 1.279 397 N CA -0.697 52.284 53.050 -0.116 0.000 0.867 397 N CB 1.299 39.735 38.487 -0.085 0.000 1.329 397 N HN 0.087 nan 8.380 nan 0.000 0.557 398 L N 0.690 121.798 121.223 -0.192 0.000 2.410 398 L HA 0.593 4.933 4.340 -0.000 0.000 0.270 398 L C -1.384 175.286 176.870 -0.333 0.000 0.983 398 L CA -0.366 54.310 54.840 -0.274 0.000 0.822 398 L CB 1.326 43.139 42.059 -0.409 0.000 1.285 398 L HN 0.457 nan 8.230 nan 0.000 0.409 399 I N 5.809 126.197 120.570 -0.305 0.000 2.354 399 I HA 0.382 4.552 4.170 -0.000 0.000 0.292 399 I C -0.414 175.511 176.117 -0.319 0.000 0.989 399 I CA -0.480 60.646 61.300 -0.290 0.000 1.188 399 I CB 1.572 39.434 38.000 -0.230 0.000 1.342 399 I HN 0.470 nan 8.210 nan 0.000 0.457 400 I N 6.307 126.652 120.570 -0.374 0.000 2.281 400 I HA 0.318 4.487 4.170 -0.000 0.000 0.293 400 I C 0.591 176.671 176.117 -0.062 0.000 1.085 400 I CA 0.003 61.087 61.300 -0.361 0.000 1.257 400 I CB 0.670 38.342 38.000 -0.546 0.000 1.430 400 I HN 0.615 nan 8.210 nan 0.000 0.489 401 A N 4.656 127.579 122.820 0.172 0.000 2.306 401 A HA 0.681 5.001 4.320 -0.000 0.000 0.314 401 A C 0.917 178.828 177.584 0.545 0.000 1.164 401 A CA 0.046 52.288 52.037 0.341 0.000 0.822 401 A CB 0.759 19.776 19.000 0.030 0.000 1.130 401 A HN 1.044 nan 8.150 nan 0.000 0.496 402 G N 0.832 109.979 108.800 0.579 0.000 2.289 402 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.280 402 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.280 402 G C -0.149 174.972 174.900 0.368 0.000 1.089 402 G CA 0.064 45.375 45.100 0.352 0.000 0.939 402 G HN 1.338 nan 8.290 nan 0.000 0.499 403 V N 1.215 121.396 119.914 0.444 0.000 2.385 403 V HA 0.349 4.469 4.120 -0.000 0.000 0.269 403 V C -1.359 174.911 176.094 0.294 0.000 1.043 403 V CA -1.557 60.999 62.300 0.427 0.000 0.906 403 V CB 1.533 33.668 31.823 0.520 0.000 0.995 403 V HN 0.227 nan 8.190 nan 0.000 0.467 404 P HA 0.063 nan 4.420 nan 0.000 0.268 404 P C 0.936 178.306 177.300 0.118 0.000 1.205 404 P CA -0.007 63.181 63.100 0.146 0.000 0.771 404 P CB 0.713 32.465 31.700 0.086 0.000 0.858 405 E N 2.128 122.424 120.200 0.159 0.000 2.187 405 E HA -0.260 4.090 4.350 -0.000 0.000 0.199 405 E C 1.388 177.905 176.600 -0.139 0.000 1.004 405 E CA 1.954 58.341 56.400 -0.021 0.000 0.813 405 E CB -0.133 29.644 29.700 0.128 0.000 0.736 405 E HN 0.501 nan 8.360 nan 0.000 0.468 406 S N 0.033 115.705 115.700 -0.047 0.000 2.423 406 S HA -0.089 4.381 4.470 -0.000 0.000 0.231 406 S C 1.515 176.080 174.600 -0.059 0.000 1.014 406 S CA 0.751 58.917 58.200 -0.056 0.000 0.965 406 S CB 0.036 63.225 63.200 -0.017 0.000 0.785 406 S HN 0.227 nan 8.310 nan 0.000 0.495 407 E N 1.464 121.645 120.200 -0.032 0.000 2.447 407 E HA 0.151 4.501 4.350 -0.000 0.000 0.195 407 E C 1.579 178.170 176.600 -0.015 0.000 1.028 407 E CA 0.132 56.538 56.400 0.010 0.000 0.876 407 E CB -0.128 29.625 29.700 0.088 0.000 0.885 407 E HN 0.626 nan 8.360 nan 0.000 0.500 408 K N 1.094 121.386 120.400 -0.180 0.000 2.074 408 K HA -0.160 4.160 4.320 -0.000 0.000 0.209 408 K C 2.107 178.617 176.600 -0.150 0.000 1.048 408 K CA 1.576 57.638 56.287 -0.375 0.000 0.926 408 K CB -0.144 31.751 32.500 -1.009 0.000 0.713 408 K HN 0.043 nan 8.250 nan 0.000 0.444 409 A N 1.639 124.371 122.820 -0.147 0.000 1.930 409 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 409 A C 1.880 179.469 177.584 0.009 0.000 1.175 409 A CA 1.396 53.393 52.037 -0.068 0.000 0.627 409 A CB -0.210 18.739 19.000 -0.085 0.000 0.815 409 A HN 0.191 nan 8.150 nan 0.000 0.443 410 K N -0.274 120.138 120.400 0.021 0.000 2.001 410 K HA -0.057 4.263 4.320 -0.000 0.000 0.208 410 K C 1.828 178.473 176.600 0.075 0.000 1.048 410 K CA 1.405 57.718 56.287 0.045 0.000 0.932 410 K CB -0.329 32.201 32.500 0.050 0.000 0.715 410 K HN 0.361 nan 8.250 nan 0.000 0.437 411 I N 1.656 122.297 120.570 0.119 0.000 2.163 411 I HA -0.261 3.909 4.170 -0.000 0.000 0.243 411 I C 2.432 178.624 176.117 0.126 0.000 1.085 411 I CA 1.596 62.977 61.300 0.135 0.000 1.347 411 I CB -0.991 37.141 38.000 0.220 0.000 1.044 411 I HN 0.353 nan 8.210 nan 0.000 0.408 412 E N 1.118 121.446 120.200 0.214 0.000 2.153 412 E HA -0.248 4.102 4.350 -0.000 0.000 0.194 412 E C 2.255 178.907 176.600 0.088 0.000 0.988 412 E CA 1.064 57.581 56.400 0.194 0.000 0.811 412 E CB 0.095 29.985 29.700 0.317 0.000 0.746 412 E HN 0.343 nan 8.360 nan 0.000 0.466 413 K N 0.466 120.905 120.400 0.066 0.000 2.002 413 K HA -0.149 4.171 4.320 -0.000 0.000 0.209 413 K C 2.173 178.791 176.600 0.030 0.000 1.048 413 K CA 1.446 57.757 56.287 0.039 0.000 0.930 413 K CB -0.112 32.406 32.500 0.030 0.000 0.714 413 K HN 0.159 nan 8.250 nan 0.000 0.438 414 I N 0.942 121.531 120.570 0.031 0.000 2.099 414 I HA -0.289 3.881 4.170 -0.000 0.000 0.239 414 I C 2.529 178.647 176.117 0.002 0.000 1.066 414 I CA 1.375 62.687 61.300 0.020 0.000 1.324 414 I CB -0.538 37.477 38.000 0.024 0.000 1.037 414 I HN 0.223 nan 8.210 nan 0.000 0.401 415 A N 0.480 123.290 122.820 -0.017 0.000 1.948 415 A HA -0.284 4.036 4.320 -0.000 0.000 0.220 415 A C 2.273 179.841 177.584 -0.027 0.000 1.177 415 A CA 2.121 54.127 52.037 -0.051 0.000 0.636 415 A CB -0.499 18.438 19.000 -0.105 0.000 0.815 415 A HN 0.283 nan 8.150 nan 0.000 0.449 416 K N -0.151 120.247 120.400 -0.004 0.000 2.031 416 K HA -0.067 4.252 4.320 -0.000 0.000 0.205 416 K C 2.016 178.622 176.600 0.011 0.000 1.049 416 K CA 1.442 57.733 56.287 0.006 0.000 0.939 416 K CB -0.097 32.414 32.500 0.019 0.000 0.717 416 K HN 0.563 nan 8.250 nan 0.000 0.438 417 E N -0.149 120.059 120.200 0.014 0.000 2.110 417 E HA -0.108 4.242 4.350 -0.000 0.000 0.193 417 E C 1.782 178.395 176.600 0.020 0.000 0.988 417 E CA 1.169 57.580 56.400 0.018 0.000 0.804 417 E CB -0.058 29.654 29.700 0.019 0.000 0.745 417 E HN 0.171 nan 8.360 nan 0.000 0.458 418 S N -0.519 115.191 115.700 0.017 0.000 2.561 418 S HA 0.104 4.574 4.470 -0.000 0.000 0.225 418 S C 1.436 176.055 174.600 0.031 0.000 0.977 418 S CA 0.651 58.864 58.200 0.023 0.000 0.926 418 S CB 0.348 63.556 63.200 0.014 0.000 0.769 418 S HN 0.528 nan 8.310 nan 0.000 0.533 419 G N 1.049 109.864 108.800 0.025 0.000 2.143 419 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.249 419 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.249 419 G C 0.580 175.497 174.900 0.029 0.000 0.981 419 G CA 0.325 45.445 45.100 0.034 0.000 0.665 419 G HN 0.498 nan 8.290 nan 0.000 0.528 420 L N -0.856 120.368 121.223 0.000 0.000 2.313 420 L HA 0.310 4.649 4.340 -0.000 0.000 0.214 420 L C 2.481 179.336 176.870 -0.024 0.000 1.119 420 L CA 0.982 55.805 54.840 -0.028 0.000 0.809 420 L CB -0.065 41.945 42.059 -0.083 0.000 0.933 420 L HN 0.372 nan 8.230 nan 0.000 0.449 421 M N -0.816 118.773 119.600 -0.018 0.000 2.576 421 M HA 0.144 4.624 4.480 -0.000 0.000 0.322 421 M C -0.347 175.958 176.300 0.008 0.000 1.184 421 M CA -0.320 54.969 55.300 -0.019 0.000 0.967 421 M CB 0.222 32.797 32.600 -0.042 0.000 1.372 421 M HN 0.026 nan 8.290 nan 0.000 0.509 422 N N 2.193 120.911 118.700 0.031 0.000 2.468 422 N HA 0.199 4.939 4.740 -0.000 0.000 0.265 422 N C -0.207 175.314 175.510 0.018 0.000 1.199 422 N CA 0.195 53.261 53.050 0.028 0.000 0.928 422 N CB 0.825 39.337 38.487 0.042 0.000 1.059 422 N HN 0.259 nan 8.380 nan 0.000 0.467 423 A N 2.021 124.834 122.820 -0.012 0.000 2.450 423 A HA 0.413 4.733 4.320 -0.000 0.000 0.255 423 A C 0.515 178.051 177.584 -0.080 0.000 1.096 423 A CA -0.388 51.622 52.037 -0.046 0.000 0.778 423 A CB 0.022 18.998 19.000 -0.039 0.000 1.031 423 A HN 0.509 nan 8.150 nan 0.000 0.494 424 V N 0.258 120.074 119.914 -0.163 0.000 3.158 424 V HA 0.886 5.006 4.120 -0.000 0.000 0.315 424 V C 0.335 176.296 176.094 -0.221 0.000 1.148 424 V CA -0.226 61.935 62.300 -0.230 0.000 1.042 424 V CB 1.148 32.694 31.823 -0.462 0.000 1.101 424 V HN 1.147 nan 8.190 nan 0.000 0.448 425 T N -1.856 112.576 114.554 -0.203 0.000 2.849 425 T HA 0.440 4.790 4.350 -0.000 0.000 0.284 425 T C -1.877 172.716 174.700 -0.178 0.000 1.004 425 T CA -1.238 60.772 62.100 -0.149 0.000 1.021 425 T CB 0.938 69.740 68.868 -0.110 0.000 1.013 425 T HN 0.594 nan 8.240 nan 0.000 0.527 426 P HA -0.089 nan 4.420 nan 0.000 0.220 426 P C 1.689 178.938 177.300 -0.086 0.000 1.148 426 P CA 0.696 63.737 63.100 -0.098 0.000 0.803 426 P CB 0.079 31.783 31.700 0.006 0.000 0.782 427 Q N 0.300 120.072 119.800 -0.046 0.000 2.050 427 Q HA -0.173 4.167 4.340 -0.000 0.000 0.202 427 Q C 2.315 178.262 176.000 -0.089 0.000 0.980 427 Q CA 1.778 57.563 55.803 -0.030 0.000 0.840 427 Q CB -0.786 27.921 28.738 -0.050 0.000 0.898 427 Q HN 0.003 nan 8.270 nan 0.000 0.424 428 R N -0.112 120.293 120.500 -0.160 0.000 2.096 428 R HA -0.133 4.207 4.340 -0.000 0.000 0.235 428 R C 1.951 178.118 176.300 -0.221 0.000 1.127 428 R CA 1.691 57.681 56.100 -0.184 0.000 0.968 428 R CB -0.068 30.065 30.300 -0.277 0.000 0.861 428 R HN 0.414 nan 8.270 nan 0.000 0.440 429 E N -0.427 119.556 120.200 -0.362 0.000 2.268 429 E HA -0.139 4.211 4.350 -0.000 0.000 0.195 429 E C 0.421 176.991 176.600 -0.051 0.000 0.995 429 E CA 1.016 57.258 56.400 -0.263 0.000 0.836 429 E CB 0.042 29.571 29.700 -0.285 0.000 0.763 429 E HN 0.424 nan 8.360 nan 0.000 0.491 430 N N -0.125 118.528 118.700 -0.078 0.000 2.321 430 N HA 0.104 4.844 4.740 -0.000 0.000 0.242 430 N C -1.211 174.316 175.510 0.028 0.000 1.141 430 N CA -0.090 52.936 53.050 -0.040 0.000 0.864 430 N CB 1.161 39.581 38.487 -0.112 0.000 1.100 430 N HN -0.156 nan 8.380 nan 0.000 0.510 431 S N 0.590 116.323 115.700 0.055 0.000 2.532 431 S HA 0.634 5.104 4.470 -0.000 0.000 0.301 431 S C -0.661 173.997 174.600 0.097 0.000 1.083 431 S CA -0.675 57.569 58.200 0.074 0.000 1.025 431 S CB 1.974 65.217 63.200 0.070 0.000 1.056 431 S HN 0.211 nan 8.310 nan 0.000 0.494 432 M N 2.045 121.696 119.600 0.085 0.000 2.520 432 M HA 0.773 5.253 4.480 -0.000 0.000 0.283 432 M C -2.090 174.254 176.300 0.072 0.000 1.237 432 M CA -0.437 54.907 55.300 0.073 0.000 0.885 432 M CB 1.851 34.479 32.600 0.047 0.000 1.727 432 M HN 0.774 nan 8.290 nan 0.000 0.468 433 A N 1.612 124.471 122.820 0.064 0.000 2.587 433 A HA 0.779 5.099 4.320 -0.000 0.000 0.293 433 A C -0.748 176.861 177.584 0.042 0.000 1.087 433 A CA -0.676 51.401 52.037 0.066 0.000 0.692 433 A CB 0.587 19.649 19.000 0.103 0.000 1.291 433 A HN 1.288 nan 8.150 nan 0.000 0.407 434 C N -0.098 119.220 119.300 0.029 0.000 2.396 434 C HA 0.662 5.122 4.460 -0.000 0.000 0.359 434 C C 1.727 176.720 174.990 0.006 0.000 1.307 434 C CA -0.002 59.021 59.018 0.008 0.000 2.392 434 C CB -0.203 27.529 27.740 -0.014 0.000 2.245 434 C HN 0.748 nan 8.230 nan 0.000 0.615 435 V N 1.234 121.143 119.914 -0.009 0.000 2.237 435 V HA -0.060 4.060 4.120 -0.000 0.000 0.245 435 V C 1.882 177.932 176.094 -0.073 0.000 1.046 435 V CA 2.607 64.888 62.300 -0.032 0.000 1.007 435 V CB -1.352 30.453 31.823 -0.028 0.000 0.638 435 V HN 1.418 nan 8.190 nan 0.000 0.445 436 S N -1.559 114.067 115.700 -0.124 0.000 3.330 436 S HA -0.253 4.217 4.470 -0.000 0.000 0.630 436 S C -0.223 174.225 174.600 -0.253 0.000 2.776 436 S CA 0.629 58.681 58.200 -0.247 0.000 3.494 436 S CB -1.446 61.647 63.200 -0.178 0.000 0.291 436 S HN 0.293 nan 8.310 nan 0.000 1.451 437 F N 3.375 123.310 119.950 -0.025 0.000 2.545 437 F HA 0.283 4.810 4.527 0.000 0.000 0.348 437 F C -0.250 175.512 175.800 -0.065 0.000 1.163 437 F CA -0.575 57.406 58.000 -0.032 0.000 1.331 437 F CB -0.089 38.909 39.000 -0.003 0.000 1.138 437 F HN 0.394 nan 8.300 nan 0.000 0.602 438 P HA -0.020 nan 4.420 nan 0.000 0.245 438 P C 0.969 178.336 177.300 0.112 0.000 1.203 438 P CA 1.035 64.254 63.100 0.198 0.000 0.792 438 P CB -0.049 31.752 31.700 0.168 0.000 0.997 439 T N -3.514 110.990 114.554 -0.084 0.000 3.035 439 T HA 0.022 4.372 4.350 -0.000 0.000 0.259 439 T C 1.083 175.763 174.700 -0.034 0.000 1.078 439 T CA -0.054 61.990 62.100 -0.092 0.000 1.132 439 T CB -1.250 67.420 68.868 -0.331 0.000 0.900 439 T HN 0.043 nan 8.240 nan 0.000 0.480 440 C N 4.783 124.031 119.300 -0.086 0.000 2.585 440 C HA 0.441 4.901 4.460 -0.000 0.000 0.406 440 C C -0.583 174.364 174.990 -0.073 0.000 1.312 440 C CA -1.846 57.117 59.018 -0.092 0.000 1.924 440 C CB 0.918 28.558 27.740 -0.166 0.000 2.578 440 C HN 0.396 nan 8.230 nan 0.000 0.580 441 P HA 0.003 nan 4.420 nan 0.000 0.235 441 P C 0.801 178.092 177.300 -0.014 0.000 1.177 441 P CA 1.134 64.242 63.100 0.013 0.000 0.785 441 P CB 0.124 31.841 31.700 0.029 0.000 0.885 442 L N -1.172 120.013 121.223 -0.064 0.000 2.607 442 L HA 0.312 4.652 4.340 -0.000 0.000 0.228 442 L C 1.223 178.015 176.870 -0.132 0.000 1.123 442 L CA -0.451 54.349 54.840 -0.066 0.000 0.890 442 L CB -0.463 41.564 42.059 -0.053 0.000 1.103 442 L HN -0.173 nan 8.230 nan 0.000 0.468 443 A N 0.384 123.035 122.820 -0.283 0.000 2.531 443 A HA 0.235 4.555 4.320 -0.000 0.000 0.236 443 A C 0.998 178.370 177.584 -0.353 0.000 1.062 443 A CA 0.366 52.080 52.037 -0.540 0.000 0.760 443 A CB 0.417 18.655 19.000 -1.270 0.000 0.995 443 A HN 0.347 nan 8.150 nan 0.000 0.501 444 M N 1.113 120.590 119.600 -0.206 0.000 2.638 444 M HA 0.297 4.777 4.480 -0.000 0.000 0.256 444 M C 0.689 177.037 176.300 0.080 0.000 1.282 444 M CA 1.018 56.322 55.300 0.007 0.000 1.155 444 M CB 0.411 33.013 32.600 0.004 0.000 1.345 444 M HN 0.780 nan 8.290 nan 0.000 0.523 445 A N 0.253 123.058 122.820 -0.026 0.000 2.556 445 A HA 0.586 4.906 4.320 -0.000 0.000 0.294 445 A C -0.841 176.796 177.584 0.090 0.000 1.091 445 A CA -0.805 51.211 52.037 -0.035 0.000 0.704 445 A CB 1.280 19.942 19.000 -0.564 0.000 1.300 445 A HN 0.113 nan 8.150 nan 0.000 0.406 446 E N -0.103 120.220 120.200 0.205 0.000 2.415 446 E HA 0.382 4.732 4.350 -0.000 0.000 0.262 446 E C 0.722 177.433 176.600 0.185 0.000 1.038 446 E CA 0.772 57.331 56.400 0.266 0.000 0.921 446 E CB 1.498 31.364 29.700 0.277 0.000 0.950 446 E HN 0.760 nan 8.360 nan 0.000 0.438 447 A N 2.536 125.467 122.820 0.186 0.000 1.848 447 A HA -0.008 4.312 4.320 -0.000 0.000 0.184 447 A C 1.794 179.504 177.584 0.209 0.000 1.946 447 A CA 0.533 52.681 52.037 0.185 0.000 1.093 447 A CB -0.356 18.697 19.000 0.088 0.000 1.014 447 A HN 0.622 nan 8.150 nan 0.000 0.638 448 E N 0.500 120.779 120.200 0.131 0.000 2.058 448 E HA -0.217 4.132 4.350 -0.000 0.000 0.194 448 E C 1.894 178.579 176.600 0.141 0.000 0.997 448 E CA 1.568 58.036 56.400 0.113 0.000 0.801 448 E CB -0.151 29.588 29.700 0.065 0.000 0.746 448 E HN 0.486 nan 8.360 nan 0.000 0.450 449 R N -0.823 119.777 120.500 0.166 0.000 2.280 449 R HA -0.058 4.282 4.340 -0.000 0.000 0.207 449 R C 1.986 178.424 176.300 0.231 0.000 1.043 449 R CA 0.834 57.037 56.100 0.171 0.000 1.006 449 R CB -0.144 30.255 30.300 0.165 0.000 0.885 449 R HN 0.309 nan 8.270 nan 0.000 0.467 450 F N 0.471 120.479 119.950 0.096 0.000 2.374 450 F HA 0.043 4.570 4.527 0.000 0.000 0.291 450 F C 1.810 177.678 175.800 0.114 0.000 1.084 450 F CA 0.141 58.199 58.000 0.097 0.000 1.413 450 F CB -0.074 38.980 39.000 0.088 0.000 1.099 450 F HN -0.163 nan 8.300 nan 0.000 0.534 451 L N 1.826 123.123 121.223 0.123 0.000 2.013 451 L HA -0.112 4.228 4.340 -0.000 0.000 0.212 451 L C -0.869 175.998 176.870 -0.004 0.000 1.073 451 L CA 2.388 57.258 54.840 0.050 0.000 0.753 451 L CB -1.749 40.390 42.059 0.134 0.000 0.890 451 L HN 0.014 nan 8.230 nan 0.000 0.432 452 P HA -0.170 nan 4.420 nan 0.000 0.214 452 P C 1.844 179.108 177.300 -0.060 0.000 1.163 452 P CA 2.356 65.450 63.100 -0.011 0.000 0.889 452 P CB -0.212 31.486 31.700 -0.003 0.000 0.790 453 S N -1.862 113.793 115.700 -0.076 0.000 2.428 453 S HA -0.123 4.347 4.470 -0.000 0.000 0.230 453 S C 1.841 176.357 174.600 -0.140 0.000 1.014 453 S CA 0.477 58.625 58.200 -0.087 0.000 0.957 453 S CB -1.585 61.587 63.200 -0.045 0.000 0.784 453 S HN 0.036 nan 8.310 nan 0.000 0.499 454 F N 3.138 122.823 119.950 -0.442 0.000 2.113 454 F HA 0.082 4.609 4.527 0.000 0.000 0.297 454 F C 1.833 177.465 175.800 -0.280 0.000 1.103 454 F CA 0.820 58.499 58.000 -0.535 0.000 1.248 454 F CB -0.372 37.982 39.000 -1.076 0.000 0.999 454 F HN 0.071 nan 8.300 nan 0.000 0.475 455 I N 0.601 120.961 120.570 -0.351 0.000 2.614 455 I HA -0.214 3.956 4.170 -0.000 0.000 0.258 455 I C 1.825 177.779 176.117 -0.271 0.000 1.189 455 I CA 1.058 62.142 61.300 -0.359 0.000 1.462 455 I CB -1.500 36.403 38.000 -0.161 0.000 1.092 455 I HN 0.155 nan 8.210 nan 0.000 0.442 456 D N 1.143 121.423 120.400 -0.200 0.000 2.117 456 D HA -0.156 4.484 4.640 -0.000 0.000 0.197 456 D C 1.894 178.095 176.300 -0.164 0.000 0.987 456 D CA 1.019 54.934 54.000 -0.142 0.000 0.829 456 D CB -0.191 40.551 40.800 -0.097 0.000 0.961 456 D HN 0.318 nan 8.370 nan 0.000 0.460 457 N N 0.531 119.101 118.700 -0.215 0.000 2.142 457 N HA -0.092 4.648 4.740 -0.000 0.000 0.186 457 N C 1.878 177.245 175.510 -0.239 0.000 1.023 457 N CA 0.452 53.384 53.050 -0.197 0.000 0.852 457 N CB -0.037 38.345 38.487 -0.175 0.000 0.998 457 N HN 0.202 nan 8.380 nan 0.000 0.424 458 I N 1.782 122.116 120.570 -0.393 0.000 2.315 458 I HA -0.176 3.994 4.170 -0.000 0.000 0.248 458 I C 1.533 177.531 176.117 -0.198 0.000 1.117 458 I CA 1.159 62.249 61.300 -0.350 0.000 1.404 458 I CB -0.993 36.708 38.000 -0.498 0.000 1.071 458 I HN 0.017 nan 8.210 nan 0.000 0.419 459 D N 1.066 121.358 120.400 -0.180 0.000 2.117 459 D HA -0.162 4.478 4.640 -0.000 0.000 0.197 459 D C 1.891 178.141 176.300 -0.084 0.000 0.987 459 D CA 0.983 54.914 54.000 -0.115 0.000 0.829 459 D CB -0.247 40.487 40.800 -0.110 0.000 0.961 459 D HN 0.278 nan 8.370 nan 0.000 0.460 460 N N 0.412 119.059 118.700 -0.089 0.000 2.120 460 N HA -0.085 4.654 4.740 -0.000 0.000 0.188 460 N C 2.090 177.571 175.510 -0.049 0.000 1.024 460 N CA 0.448 53.458 53.050 -0.066 0.000 0.852 460 N CB -0.389 38.060 38.487 -0.063 0.000 1.003 460 N HN 0.266 nan 8.380 nan 0.000 0.424 461 L N 0.214 121.415 121.223 -0.036 0.000 2.093 461 L HA -0.059 4.281 4.340 -0.000 0.000 0.208 461 L C 2.263 179.199 176.870 0.110 0.000 1.085 461 L CA 0.726 55.591 54.840 0.042 0.000 0.755 461 L CB -0.293 41.795 42.059 0.048 0.000 0.904 461 L HN 0.139 nan 8.230 nan 0.000 0.435 462 M N -0.433 119.192 119.600 0.042 0.000 2.132 462 M HA -0.132 4.348 4.480 -0.000 0.000 0.263 462 M C 2.608 178.935 176.300 0.043 0.000 1.065 462 M CA 1.856 57.197 55.300 0.070 0.000 1.122 462 M CB -1.188 31.427 32.600 0.026 0.000 1.365 462 M HN 0.282 nan 8.290 nan 0.000 0.411 463 A N 0.515 123.330 122.820 -0.008 0.000 1.902 463 A HA -0.207 4.112 4.320 -0.000 0.000 0.217 463 A C 2.291 179.839 177.584 -0.061 0.000 1.181 463 A CA 2.063 54.080 52.037 -0.032 0.000 0.623 463 A CB -0.743 18.230 19.000 -0.044 0.000 0.818 463 A HN 0.532 nan 8.150 nan 0.000 0.443 464 K N -1.147 119.191 120.400 -0.103 0.000 2.152 464 K HA -0.213 4.107 4.320 -0.000 0.000 0.206 464 K C 1.175 177.569 176.600 -0.343 0.000 1.048 464 K CA 1.658 57.807 56.287 -0.229 0.000 0.933 464 K CB -0.258 32.064 32.500 -0.296 0.000 0.721 464 K HN 0.661 nan 8.250 nan 0.000 0.447 465 H N -1.120 117.940 119.070 -0.018 0.000 2.529 465 H HA 0.140 4.696 4.556 -0.000 0.000 0.277 465 H C 0.723 176.018 175.328 -0.055 0.000 1.004 465 H CA 0.695 56.728 56.048 -0.025 0.000 1.167 465 H CB 0.879 30.642 29.762 0.001 0.000 1.445 465 H HN 0.524 nan 8.280 nan 0.000 0.554 466 G N 1.533 110.338 108.800 0.009 0.000 2.198 466 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.257 466 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.257 466 G C 0.714 175.588 174.900 -0.044 0.000 1.042 466 G CA 0.625 45.709 45.100 -0.027 0.000 0.791 466 G HN 0.455 nan 8.290 nan 0.000 0.502 467 V N -3.506 116.399 119.914 -0.015 0.000 2.909 467 V HA 0.528 4.648 4.120 -0.000 0.000 0.362 467 V C 1.542 177.644 176.094 0.012 0.000 1.356 467 V CA 0.969 63.250 62.300 -0.033 0.000 1.195 467 V CB 0.217 32.007 31.823 -0.054 0.000 1.256 467 V HN 0.227 nan 8.190 nan 0.000 0.567 468 S N 1.121 116.820 115.700 -0.002 0.000 2.469 468 S HA -0.111 4.359 4.470 -0.000 0.000 0.238 468 S C 1.256 175.858 174.600 0.003 0.000 0.998 468 S CA 1.694 59.892 58.200 -0.004 0.000 0.957 468 S CB -0.198 62.990 63.200 -0.020 0.000 0.764 468 S HN 0.752 nan 8.310 nan 0.000 0.514 469 D N 0.561 120.965 120.400 0.005 0.000 2.349 469 D HA 0.144 4.784 4.640 -0.000 0.000 0.214 469 D C 0.752 177.090 176.300 0.062 0.000 1.063 469 D CA 0.317 54.329 54.000 0.020 0.000 0.847 469 D CB 0.246 41.048 40.800 0.004 0.000 0.933 469 D HN 0.315 nan 8.370 nan 0.000 0.513 470 E N 0.833 121.078 120.200 0.076 0.000 2.561 470 E HA 0.241 4.591 4.350 -0.000 0.000 0.254 470 E C 0.460 177.187 176.600 0.212 0.000 1.213 470 E CA -0.307 56.176 56.400 0.140 0.000 0.995 470 E CB 1.196 30.987 29.700 0.150 0.000 1.233 470 E HN 0.315 nan 8.360 nan 0.000 0.556 471 H N -1.845 117.326 119.070 0.168 0.000 3.037 471 H HA 0.541 5.097 4.556 -0.000 0.000 0.355 471 H C -1.140 174.206 175.328 0.030 0.000 1.263 471 H CA -0.745 55.342 56.048 0.066 0.000 1.129 471 H CB 0.602 30.380 29.762 0.026 0.000 1.861 471 H HN 0.286 nan 8.280 nan 0.000 0.546 472 I N 2.200 122.766 120.570 -0.007 0.000 2.499 472 I HA 0.143 4.313 4.170 -0.000 0.000 0.288 472 I C -0.073 176.051 176.117 0.011 0.000 1.048 472 I CA -1.245 59.960 61.300 -0.159 0.000 1.062 472 I CB 2.496 40.238 38.000 -0.429 0.000 1.238 472 I HN 0.309 nan 8.210 nan 0.000 0.426 473 V N 6.990 126.944 119.914 0.066 0.000 2.409 473 V HA 0.090 4.210 4.120 -0.000 0.000 0.270 473 V C 0.207 176.321 176.094 0.032 0.000 1.019 473 V CA 0.509 62.859 62.300 0.083 0.000 1.066 473 V CB 0.186 32.060 31.823 0.086 0.000 1.021 473 V HN 0.649 nan 8.190 nan 0.000 0.476 474 M N 6.861 126.481 119.600 0.035 0.000 2.190 474 M HA 0.582 5.062 4.480 -0.000 0.000 0.312 474 M C -0.572 175.774 176.300 0.077 0.000 0.990 474 M CA -0.358 54.971 55.300 0.048 0.000 0.927 474 M CB 1.355 33.980 32.600 0.041 0.000 1.571 474 M HN 0.565 nan 8.290 nan 0.000 0.427 475 R N 2.959 123.501 120.500 0.070 0.000 2.725 475 R HA 0.789 5.129 4.340 -0.000 0.000 0.277 475 R C -1.655 174.670 176.300 0.042 0.000 0.987 475 R CA -1.037 55.098 56.100 0.059 0.000 0.901 475 R CB 2.564 32.883 30.300 0.031 0.000 1.207 475 R HN 0.447 nan 8.270 nan 0.000 0.463 476 V N 1.157 121.096 119.914 0.042 0.000 2.487 476 V HA 0.414 4.534 4.120 -0.000 0.000 0.298 476 V C -0.324 175.791 176.094 0.035 0.000 1.028 476 V CA -0.619 61.688 62.300 0.010 0.000 0.860 476 V CB 1.934 33.767 31.823 0.016 0.000 0.991 476 V HN 0.766 nan 8.190 nan 0.000 0.427 477 T N 2.910 117.488 114.554 0.040 0.000 2.807 477 T HA 0.518 4.868 4.350 -0.000 0.000 0.279 477 T C 1.090 175.826 174.700 0.061 0.000 0.993 477 T CA 0.344 62.462 62.100 0.029 0.000 0.970 477 T CB 1.548 70.413 68.868 -0.005 0.000 0.950 477 T HN 0.886 nan 8.240 nan 0.000 0.441 478 G N 2.026 110.834 108.800 0.013 0.000 2.776 478 G HA2 0.251 4.210 3.960 -0.000 0.000 0.209 478 G HA3 0.251 4.210 3.960 -0.000 0.000 0.209 478 G C 0.686 175.556 174.900 -0.051 0.000 1.145 478 G CA 0.627 45.713 45.100 -0.023 0.000 0.791 478 G HN 1.128 nan 8.290 nan 0.000 0.530 479 C N -3.865 115.421 119.300 -0.024 0.000 3.275 479 C HA 0.565 5.025 4.460 -0.000 0.000 0.340 479 C C -1.966 172.988 174.990 -0.060 0.000 1.366 479 C CA -0.904 58.102 59.018 -0.019 0.000 1.227 479 C CB 1.602 29.307 27.740 -0.058 0.000 1.512 479 C HN -0.006 nan 8.230 nan 0.000 0.461 480 P HA -0.072 nan 4.420 nan 0.000 0.228 480 P C 0.962 178.185 177.300 -0.128 0.000 1.151 480 P CA 1.350 64.307 63.100 -0.240 0.000 0.770 480 P CB -0.065 31.316 31.700 -0.533 0.000 0.786 481 N N 0.702 119.347 118.700 -0.092 0.000 2.205 481 N HA -0.117 4.623 4.740 -0.000 0.000 0.186 481 N C 1.673 177.146 175.510 -0.061 0.000 1.015 481 N CA 1.910 54.923 53.050 -0.062 0.000 0.862 481 N CB -0.913 37.543 38.487 -0.051 0.000 0.986 481 N HN 0.289 nan 8.380 nan 0.000 0.429 482 G N -0.631 108.130 108.800 -0.065 0.000 2.137 482 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.237 482 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.237 482 G C 1.149 176.018 174.900 -0.052 0.000 1.002 482 G CA 0.371 45.433 45.100 -0.063 0.000 0.702 482 G HN 0.411 nan 8.290 nan 0.000 0.515 483 C N -0.073 119.200 119.300 -0.045 0.000 2.403 483 C HA 0.131 4.591 4.460 -0.000 0.000 0.279 483 C C 2.980 177.953 174.990 -0.028 0.000 1.269 483 C CA 1.614 60.610 59.018 -0.037 0.000 1.774 483 C CB -1.066 26.654 27.740 -0.034 0.000 1.993 483 C HN 0.942 nan 8.230 nan 0.000 0.496 484 G N -0.706 108.081 108.800 -0.022 0.000 2.848 484 G HA2 0.022 3.982 3.960 -0.000 0.000 0.208 484 G HA3 0.022 3.982 3.960 -0.000 0.000 0.208 484 G C 0.848 175.739 174.900 -0.015 0.000 1.152 484 G CA -0.151 44.944 45.100 -0.009 0.000 0.789 484 G HN 0.688 nan 8.290 nan 0.000 0.531 485 R N -1.382 119.099 120.500 -0.032 0.000 3.641 485 R HA -0.252 4.088 4.340 -0.000 0.000 0.286 485 R C 1.714 177.990 176.300 -0.040 0.000 1.153 485 R CA 0.328 56.404 56.100 -0.040 0.000 0.775 485 R CB -2.006 28.274 30.300 -0.034 0.000 1.215 485 R HN 0.432 nan 8.270 nan 0.000 0.474 486 A N 0.265 123.057 122.820 -0.048 0.000 2.070 486 A HA -0.070 4.249 4.320 -0.000 0.000 0.220 486 A C 1.852 179.377 177.584 -0.099 0.000 1.159 486 A CA 0.950 52.955 52.037 -0.054 0.000 0.656 486 A CB -0.070 18.898 19.000 -0.053 0.000 0.800 486 A HN 0.223 nan 8.150 nan 0.000 0.453 487 M N -0.743 118.780 119.600 -0.127 0.000 2.682 487 M HA 0.232 4.712 4.480 -0.000 0.000 0.235 487 M C 0.750 176.995 176.300 -0.091 0.000 1.114 487 M CA 0.803 56.010 55.300 -0.155 0.000 1.053 487 M CB -0.710 31.787 32.600 -0.171 0.000 1.599 487 M HN 0.368 nan 8.290 nan 0.000 0.520 488 L N -1.185 120.003 121.223 -0.058 0.000 3.135 488 L HA 0.371 4.710 4.340 -0.000 0.000 0.279 488 L C 0.716 177.578 176.870 -0.014 0.000 1.200 488 L CA -0.366 54.455 54.840 -0.032 0.000 1.016 488 L CB 0.383 42.430 42.059 -0.019 0.000 1.391 488 L HN 0.056 nan 8.230 nan 0.000 0.588 489 A N -0.115 122.698 122.820 -0.012 0.000 2.257 489 A HA 0.315 4.635 4.320 -0.000 0.000 0.289 489 A C 0.971 178.569 177.584 0.023 0.000 1.095 489 A CA -0.245 51.799 52.037 0.012 0.000 0.836 489 A CB 0.674 19.685 19.000 0.018 0.000 1.111 489 A HN 0.288 nan 8.150 nan 0.000 0.497 490 E N -0.793 119.430 120.200 0.037 0.000 2.107 490 E HA 0.034 4.384 4.350 -0.000 0.000 0.191 490 E C -0.557 176.102 176.600 0.098 0.000 0.982 490 E CA 0.946 57.383 56.400 0.060 0.000 0.809 490 E CB 0.143 29.887 29.700 0.073 0.000 0.756 490 E HN 0.312 nan 8.360 nan 0.000 0.459 491 V N 0.915 120.872 119.914 0.072 0.000 2.447 491 V HA 0.438 4.557 4.120 -0.000 0.000 0.292 491 V C -0.094 176.048 176.094 0.079 0.000 1.021 491 V CA -0.789 61.564 62.300 0.087 0.000 0.850 491 V CB 1.538 33.376 31.823 0.025 0.000 1.005 491 V HN 0.138 nan 8.190 nan 0.000 0.426 492 G N 4.207 113.068 108.800 0.102 0.000 2.416 492 G HA2 0.717 4.677 3.960 -0.000 0.000 0.329 492 G HA3 0.717 4.677 3.960 -0.000 0.000 0.329 492 G C -1.504 173.463 174.900 0.111 0.000 1.173 492 G CA -0.567 44.575 45.100 0.070 0.000 0.929 492 G HN 0.444 nan 8.290 nan 0.000 0.475 493 L N 1.712 122.964 121.223 0.048 0.000 2.333 493 L HA 0.515 4.855 4.340 -0.000 0.000 0.280 493 L C -0.266 176.675 176.870 0.119 0.000 1.004 493 L CA -0.648 54.211 54.840 0.031 0.000 0.820 493 L CB 2.254 44.142 42.059 -0.285 0.000 1.247 493 L HN 0.264 nan 8.230 nan 0.000 0.416 494 V N 2.964 123.035 119.914 0.261 0.000 2.349 494 V HA 0.507 4.627 4.120 -0.000 0.000 0.284 494 V C 0.743 177.031 176.094 0.324 0.000 1.014 494 V CA -0.978 61.474 62.300 0.253 0.000 0.826 494 V CB 1.302 33.261 31.823 0.226 0.000 1.009 494 V HN 0.849 nan 8.190 nan 0.000 0.431 495 G N 3.018 111.975 108.800 0.262 0.000 2.224 495 G HA2 0.124 4.084 3.960 -0.000 0.000 0.239 495 G HA3 0.124 4.084 3.960 -0.000 0.000 0.239 495 G C 0.469 175.400 174.900 0.052 0.000 1.240 495 G CA 0.194 45.277 45.100 -0.029 0.000 0.896 495 G HN 0.806 nan 8.290 nan 0.000 0.496 496 K N 0.868 121.177 120.400 -0.151 0.000 2.474 496 K HA 0.541 4.861 4.320 -0.000 0.000 0.202 496 K C 0.727 177.245 176.600 -0.136 0.000 1.248 496 K CA 0.686 56.879 56.287 -0.157 0.000 0.946 496 K CB 0.528 32.846 32.500 -0.303 0.000 1.102 496 K HN 0.765 nan 8.250 nan 0.000 0.541 497 A N 0.669 123.376 122.820 -0.188 0.000 2.540 497 A HA 0.453 4.773 4.320 -0.000 0.000 0.291 497 A C -2.922 174.561 177.584 -0.168 0.000 1.083 497 A CA -1.090 50.873 52.037 -0.124 0.000 0.650 497 A CB 0.605 19.542 19.000 -0.104 0.000 1.292 497 A HN -0.124 nan 8.150 nan 0.000 0.435 498 P HA 0.289 nan 4.420 nan 0.000 0.258 498 P C 0.970 178.178 177.300 -0.153 0.000 1.187 498 P CA 2.487 65.529 63.100 -0.097 0.000 0.767 498 P CB 0.303 31.957 31.700 -0.076 0.000 0.770 499 G N 2.790 111.461 108.800 -0.215 0.000 2.155 499 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.257 499 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.257 499 G C 0.074 174.820 174.900 -0.257 0.000 0.983 499 G CA -0.240 44.750 45.100 -0.183 0.000 0.676 499 G HN 0.568 nan 8.290 nan 0.000 0.528 500 R N -1.082 119.117 120.500 -0.500 0.000 2.670 500 R HA 0.721 5.060 4.340 -0.000 0.000 0.289 500 R C -1.153 174.755 176.300 -0.653 0.000 0.965 500 R CA -0.725 55.154 56.100 -0.368 0.000 0.899 500 R CB 1.562 31.742 30.300 -0.199 0.000 1.173 500 R HN 0.215 nan 8.270 nan 0.000 0.456 501 Y N -0.249 120.003 120.300 -0.080 0.000 2.597 501 Y HA 0.305 4.855 4.550 0.000 0.000 0.340 501 Y C -0.190 175.710 175.900 -0.001 0.000 1.097 501 Y CA -1.268 56.802 58.100 -0.050 0.000 1.037 501 Y CB 1.668 40.075 38.460 -0.088 0.000 1.305 501 Y HN 0.406 nan 8.280 nan 0.000 0.463 502 N N 1.432 120.272 118.700 0.233 0.000 2.479 502 N HA 0.385 5.124 4.740 -0.000 0.000 0.285 502 N C -1.520 174.136 175.510 0.244 0.000 1.075 502 N CA -0.490 52.667 53.050 0.180 0.000 0.967 502 N CB 1.541 40.180 38.487 0.255 0.000 1.137 502 N HN 0.534 nan 8.380 nan 0.000 0.472 503 L N 3.481 124.788 121.223 0.140 0.000 2.287 503 L HA 0.358 4.698 4.340 -0.000 0.000 0.287 503 L C -0.660 176.279 176.870 0.116 0.000 1.022 503 L CA -0.348 54.604 54.840 0.187 0.000 0.814 503 L CB 0.359 42.546 42.059 0.214 0.000 1.217 503 L HN 0.511 nan 8.230 nan 0.000 0.420 504 H N 6.056 125.194 119.070 0.113 0.000 2.492 504 H HA 0.629 5.185 4.556 -0.000 0.000 0.345 504 H C -1.026 174.337 175.328 0.057 0.000 1.136 504 H CA -0.709 55.385 56.048 0.077 0.000 1.202 504 H CB 2.132 31.908 29.762 0.024 0.000 1.524 504 H HN 0.524 nan 8.280 nan 0.000 0.506 505 L N -0.156 121.133 121.223 0.109 0.000 2.376 505 L HA 0.443 4.783 4.340 -0.000 0.000 0.258 505 L C 0.722 177.575 176.870 -0.030 0.000 1.013 505 L CA -0.599 54.250 54.840 0.016 0.000 0.822 505 L CB 2.402 44.367 42.059 -0.156 0.000 1.388 505 L HN 0.969 nan 8.230 nan 0.000 0.413 506 G N 0.594 109.357 108.800 -0.061 0.000 2.154 506 G HA2 -0.133 3.826 3.960 -0.000 0.000 0.186 506 G HA3 -0.133 3.826 3.960 -0.000 0.000 0.186 506 G C 0.273 175.139 174.900 -0.056 0.000 1.000 506 G CA -0.235 44.809 45.100 -0.092 0.000 0.664 506 G HN 1.031 nan 8.290 nan 0.000 0.513 507 G N 0.079 108.865 108.800 -0.022 0.000 2.508 507 G HA2 0.622 4.582 3.960 -0.000 0.000 0.278 507 G HA3 0.622 4.582 3.960 -0.000 0.000 0.278 507 G C 0.087 174.979 174.900 -0.014 0.000 1.389 507 G CA 0.307 45.396 45.100 -0.018 0.000 1.050 507 G HN 1.166 nan 8.290 nan 0.000 0.522 508 N N -2.785 115.916 118.700 0.001 0.000 2.629 508 N HA 0.282 5.022 4.740 -0.000 0.000 0.279 508 N C 0.739 176.274 175.510 0.041 0.000 1.344 508 N CA -1.043 52.017 53.050 0.016 0.000 0.789 508 N CB 1.352 39.849 38.487 0.017 0.000 1.508 508 N HN 0.370 nan 8.380 nan 0.000 0.516 509 R N -0.403 120.133 120.500 0.060 0.000 2.105 509 R HA -0.005 4.335 4.340 -0.000 0.000 0.239 509 R C 1.522 177.880 176.300 0.097 0.000 1.135 509 R CA 1.977 58.135 56.100 0.096 0.000 0.967 509 R CB -0.764 29.610 30.300 0.123 0.000 0.861 509 R HN 0.773 nan 8.270 nan 0.000 0.442 510 I N -3.252 117.374 120.570 0.093 0.000 3.059 510 I HA 0.257 4.426 4.170 -0.000 0.000 0.270 510 I C 0.863 177.005 176.117 0.040 0.000 1.238 510 I CA 0.735 62.089 61.300 0.089 0.000 1.478 510 I CB 0.092 38.192 38.000 0.168 0.000 1.097 510 I HN 0.185 nan 8.210 nan 0.000 0.455 511 G N 2.408 111.236 108.800 0.045 0.000 2.248 511 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.252 511 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.252 511 G C 0.481 175.432 174.900 0.085 0.000 1.085 511 G CA 0.414 45.538 45.100 0.040 0.000 0.845 511 G HN 0.652 nan 8.290 nan 0.000 0.494 512 T N -3.384 111.188 114.554 0.030 0.000 3.129 512 T HA 0.549 4.899 4.350 -0.000 0.000 0.267 512 T C 0.578 175.174 174.700 -0.174 0.000 1.018 512 T CA 0.310 62.349 62.100 -0.103 0.000 0.903 512 T CB 0.706 69.571 68.868 -0.004 0.000 1.067 512 T HN 0.618 nan 8.240 nan 0.000 0.549 513 R N 0.663 121.104 120.500 -0.098 0.000 2.673 513 R HA 0.588 4.928 4.340 -0.000 0.000 0.281 513 R C -1.320 174.935 176.300 -0.075 0.000 0.991 513 R CA -0.949 55.095 56.100 -0.094 0.000 0.896 513 R CB 1.218 31.478 30.300 -0.066 0.000 1.201 513 R HN 0.135 nan 8.270 nan 0.000 0.457 514 I N 5.115 125.637 120.570 -0.081 0.000 2.342 514 I HA 0.292 4.462 4.170 -0.000 0.000 0.291 514 I C -1.992 174.096 176.117 -0.048 0.000 1.010 514 I CA -2.672 58.585 61.300 -0.071 0.000 1.308 514 I CB 1.031 38.981 38.000 -0.085 0.000 1.400 514 I HN 0.462 nan 8.210 nan 0.000 0.488 515 P HA 0.238 nan 4.420 nan 0.000 0.281 515 P C -0.387 176.980 177.300 0.112 0.000 1.252 515 P CA -0.551 62.569 63.100 0.033 0.000 0.778 515 P CB 1.229 32.968 31.700 0.065 0.000 0.895 516 R N 3.470 124.007 120.500 0.061 0.000 2.531 516 R HA 0.354 4.693 4.340 -0.000 0.000 0.273 516 R C 0.465 176.754 176.300 -0.020 0.000 1.070 516 R CA -0.732 55.385 56.100 0.029 0.000 1.112 516 R CB 0.426 30.715 30.300 -0.019 0.000 1.049 516 R HN 0.490 nan 8.270 nan 0.000 0.508 517 M N 4.269 123.728 119.600 -0.236 0.000 2.268 517 M HA -0.043 4.436 4.480 -0.000 0.000 0.349 517 M C -0.403 175.806 176.300 -0.152 0.000 1.485 517 M CA 0.329 55.287 55.300 -0.570 0.000 1.094 517 M CB 0.556 32.842 32.600 -0.524 0.000 1.843 517 M HN 0.811 nan 8.290 nan 0.000 0.460 518 Y N 5.952 126.116 120.300 -0.227 0.000 2.353 518 Y HA 0.359 4.909 4.550 0.000 0.000 0.294 518 Y C -0.263 175.594 175.900 -0.071 0.000 1.135 518 Y CA 0.942 58.982 58.100 -0.100 0.000 1.176 518 Y CB 0.675 39.107 38.460 -0.046 0.000 1.124 518 Y HN 0.528 nan 8.280 nan 0.000 0.537 519 K N 0.741 121.068 120.400 -0.122 0.000 2.477 519 K HA 0.264 4.584 4.320 -0.000 0.000 0.255 519 K C -1.483 175.072 176.600 -0.074 0.000 0.952 519 K CA -0.847 55.337 56.287 -0.171 0.000 0.826 519 K CB 2.845 35.250 32.500 -0.158 0.000 1.331 519 K HN 0.021 nan 8.250 nan 0.000 0.437 520 E N 1.449 121.612 120.200 -0.062 0.000 2.212 520 E HA 0.152 4.502 4.350 -0.000 0.000 0.268 520 E C -0.764 175.820 176.600 -0.026 0.000 0.902 520 E CA -0.505 55.875 56.400 -0.033 0.000 0.779 520 E CB 0.947 30.629 29.700 -0.029 0.000 1.172 520 E HN 0.568 nan 8.360 nan 0.000 0.409 521 N N 2.386 121.068 118.700 -0.030 0.000 2.699 521 N HA -0.197 4.542 4.740 -0.000 0.000 0.256 521 N C -0.950 174.549 175.510 -0.018 0.000 0.993 521 N CA 1.297 54.318 53.050 -0.049 0.000 0.759 521 N CB -1.357 37.087 38.487 -0.072 0.000 0.906 521 N HN 0.525 nan 8.380 nan 0.000 0.541 522 I N -3.479 117.107 120.570 0.026 0.000 2.863 522 I HA 0.684 4.854 4.170 -0.000 0.000 0.311 522 I C 0.939 177.110 176.117 0.091 0.000 1.026 522 I CA -0.800 60.530 61.300 0.050 0.000 1.077 522 I CB 1.935 39.972 38.000 0.061 0.000 1.262 522 I HN 0.132 nan 8.210 nan 0.000 0.461 523 T N -1.411 113.199 114.554 0.093 0.000 2.881 523 T HA 0.262 4.612 4.350 -0.000 0.000 0.278 523 T C 0.807 175.614 174.700 0.180 0.000 0.982 523 T CA -0.283 61.892 62.100 0.126 0.000 0.989 523 T CB 1.856 70.778 68.868 0.090 0.000 1.058 523 T HN 0.890 nan 8.240 nan 0.000 0.529 524 E N 0.681 121.017 120.200 0.226 0.000 2.049 524 E HA -0.121 4.228 4.350 -0.000 0.000 0.198 524 E C -0.789 175.950 176.600 0.230 0.000 1.007 524 E CA 1.384 57.954 56.400 0.284 0.000 0.809 524 E CB -1.211 28.733 29.700 0.407 0.000 0.749 524 E HN 0.518 nan 8.360 nan 0.000 0.450 525 P HA -0.163 nan 4.420 nan 0.000 0.217 525 P C 0.476 177.855 177.300 0.131 0.000 1.148 525 P CA 1.563 64.747 63.100 0.139 0.000 0.828 525 P CB -0.029 31.735 31.700 0.107 0.000 0.783 526 E N -1.056 119.221 120.200 0.128 0.000 2.112 526 E HA -0.069 4.281 4.350 -0.000 0.000 0.190 526 E C 1.981 178.667 176.600 0.143 0.000 0.979 526 E CA 0.698 57.166 56.400 0.114 0.000 0.814 526 E CB -0.430 29.325 29.700 0.091 0.000 0.762 526 E HN 0.268 nan 8.360 nan 0.000 0.460 527 I N 0.752 121.427 120.570 0.175 0.000 2.202 527 I HA -0.248 3.922 4.170 -0.000 0.000 0.242 527 I C 2.112 178.362 176.117 0.221 0.000 1.091 527 I CA 0.606 62.030 61.300 0.206 0.000 1.368 527 I CB -0.099 38.029 38.000 0.213 0.000 1.058 527 I HN 0.111 nan 8.210 nan 0.000 0.410 528 L N 0.838 122.197 121.223 0.227 0.000 2.042 528 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 528 L C 2.672 179.623 176.870 0.135 0.000 1.076 528 L CA 2.141 57.086 54.840 0.174 0.000 0.749 528 L CB -1.425 40.724 42.059 0.151 0.000 0.893 528 L HN 0.232 nan 8.230 nan 0.000 0.432 529 A N -1.702 121.197 122.820 0.133 0.000 1.933 529 A HA -0.165 4.154 4.320 -0.000 0.000 0.218 529 A C 2.463 180.129 177.584 0.137 0.000 1.175 529 A CA 1.884 53.993 52.037 0.120 0.000 0.628 529 A CB -0.592 18.471 19.000 0.104 0.000 0.814 529 A HN 0.464 nan 8.150 nan 0.000 0.444 530 S N 0.089 115.886 115.700 0.163 0.000 2.368 530 S HA -0.048 4.422 4.470 -0.000 0.000 0.224 530 S C 1.818 176.530 174.600 0.186 0.000 1.029 530 S CA 1.370 59.694 58.200 0.206 0.000 0.988 530 S CB -0.457 62.915 63.200 0.286 0.000 0.838 530 S HN 0.506 nan 8.310 nan 0.000 0.462 531 L N 1.557 122.874 121.223 0.157 0.000 2.056 531 L HA -0.130 4.210 4.340 -0.000 0.000 0.207 531 L C 2.519 179.441 176.870 0.086 0.000 1.078 531 L CA 1.234 56.134 54.840 0.101 0.000 0.749 531 L CB -0.686 41.399 42.059 0.042 0.000 0.901 531 L HN 0.243 nan 8.230 nan 0.000 0.433 532 D N 0.468 120.934 120.400 0.110 0.000 2.116 532 D HA -0.285 4.355 4.640 -0.000 0.000 0.193 532 D C 2.046 178.425 176.300 0.132 0.000 0.998 532 D CA 1.713 55.806 54.000 0.155 0.000 0.836 532 D CB 0.106 41.000 40.800 0.157 0.000 0.951 532 D HN 0.371 nan 8.370 nan 0.000 0.449 533 E N -0.442 119.834 120.200 0.127 0.000 2.047 533 E HA -0.129 4.221 4.350 -0.000 0.000 0.191 533 E C 2.557 179.221 176.600 0.106 0.000 0.987 533 E CA 0.573 57.042 56.400 0.115 0.000 0.799 533 E CB -0.079 29.699 29.700 0.130 0.000 0.752 533 E HN 0.318 nan 8.360 nan 0.000 0.449 534 L N 0.598 121.915 121.223 0.156 0.000 2.056 534 L HA -0.139 4.201 4.340 -0.000 0.000 0.207 534 L C 2.625 179.695 176.870 0.333 0.000 1.078 534 L CA 0.784 55.772 54.840 0.246 0.000 0.749 534 L CB -0.384 41.862 42.059 0.312 0.000 0.901 534 L HN 0.219 nan 8.230 nan 0.000 0.433 535 I N 0.221 120.921 120.570 0.217 0.000 2.264 535 I HA -0.227 3.943 4.170 -0.000 0.000 0.248 535 I C 2.590 178.613 176.117 -0.156 0.000 1.111 535 I CA 1.439 62.829 61.300 0.150 0.000 1.382 535 I CB -0.747 37.236 38.000 -0.028 0.000 1.060 535 I HN 0.294 nan 8.210 nan 0.000 0.418 536 G N 0.554 109.016 108.800 -0.563 0.000 2.402 536 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.216 536 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.216 536 G C 1.808 176.626 174.900 -0.137 0.000 1.162 536 G CA 0.305 45.009 45.100 -0.660 0.000 0.777 536 G HN 0.288 nan 8.290 nan 0.000 0.539 537 R N -1.175 119.328 120.500 0.005 0.000 2.092 537 R HA -0.088 4.252 4.340 -0.000 0.000 0.231 537 R C 2.259 178.503 176.300 -0.093 0.000 1.119 537 R CA 1.256 57.400 56.100 0.072 0.000 0.970 537 R CB -0.400 30.044 30.300 0.239 0.000 0.864 537 R HN 0.531 nan 8.270 nan 0.000 0.440 538 W N 1.623 122.714 121.300 -0.347 0.000 2.355 538 W HA -0.130 4.530 4.660 -0.000 0.000 0.309 538 W C 2.204 178.435 176.519 -0.481 0.000 1.206 538 W CA 1.531 58.413 57.345 -0.771 0.000 1.284 538 W CB -0.560 28.755 29.460 -0.242 0.000 1.145 538 W HN 0.071 nan 8.180 nan 0.000 0.502 539 A N 0.205 122.826 122.820 -0.331 0.000 1.978 539 A HA -0.220 4.100 4.320 -0.000 0.000 0.220 539 A C 1.966 179.344 177.584 -0.343 0.000 1.170 539 A CA 2.161 53.934 52.037 -0.440 0.000 0.636 539 A CB -0.581 18.313 19.000 -0.177 0.000 0.810 539 A HN 0.434 nan 8.150 nan 0.000 0.448 540 K N -1.423 118.833 120.400 -0.241 0.000 2.334 540 K HA 0.085 4.405 4.320 -0.000 0.000 0.195 540 K C 1.235 177.736 176.600 -0.166 0.000 1.045 540 K CA 0.831 57.022 56.287 -0.160 0.000 1.004 540 K CB 0.280 32.741 32.500 -0.065 0.000 0.837 540 K HN 0.558 nan 8.250 nan 0.000 0.510 541 E N 0.586 120.641 120.200 -0.242 0.000 2.511 541 E HA 0.015 4.365 4.350 -0.000 0.000 0.209 541 E C -0.183 176.307 176.600 -0.183 0.000 0.986 541 E CA -0.246 56.070 56.400 -0.139 0.000 0.974 541 E CB 0.598 30.339 29.700 0.068 0.000 1.030 541 E HN 0.189 nan 8.360 nan 0.000 0.490 542 R N 1.553 121.785 120.500 -0.446 0.000 2.738 542 R HA 0.207 4.547 4.340 -0.000 0.000 0.268 542 R C -0.039 176.190 176.300 -0.118 0.000 1.062 542 R CA -0.098 55.832 56.100 -0.284 0.000 1.158 542 R CB 0.690 30.708 30.300 -0.470 0.000 1.046 542 R HN -0.135 nan 8.270 nan 0.000 0.493 543 E N 0.540 120.741 120.200 0.003 0.000 2.351 543 E HA 0.265 4.615 4.350 -0.000 0.000 0.255 543 E C -0.287 176.294 176.600 -0.031 0.000 1.188 543 E CA -0.686 55.714 56.400 -0.001 0.000 0.940 543 E CB 0.736 30.462 29.700 0.043 0.000 1.094 543 E HN 0.721 nan 8.360 nan 0.000 0.474 544 A N 0.582 123.387 122.820 -0.026 0.000 2.522 544 A HA 0.349 4.669 4.320 -0.000 0.000 0.256 544 A C 1.073 178.653 177.584 -0.006 0.000 1.086 544 A CA 0.724 52.742 52.037 -0.032 0.000 0.763 544 A CB -0.984 18.003 19.000 -0.022 0.000 1.024 544 A HN 0.783 nan 8.150 nan 0.000 0.502 545 G N 1.635 110.427 108.800 -0.012 0.000 2.168 545 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.257 545 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.257 545 G C 0.120 175.067 174.900 0.078 0.000 0.997 545 G CA 0.629 45.745 45.100 0.027 0.000 0.708 545 G HN 1.102 nan 8.290 nan 0.000 0.520 546 E N 0.590 120.853 120.200 0.104 0.000 2.194 546 E HA 0.508 4.858 4.350 -0.000 0.000 0.284 546 E C 1.216 178.046 176.600 0.384 0.000 1.035 546 E CA -0.029 56.490 56.400 0.199 0.000 0.836 546 E CB 0.220 30.046 29.700 0.209 0.000 1.070 546 E HN 0.389 nan 8.360 nan 0.000 0.401 547 G N 3.236 112.203 108.800 0.278 0.000 2.569 547 G HA2 -0.060 3.899 3.960 -0.000 0.000 0.249 547 G HA3 -0.060 3.899 3.960 -0.000 0.000 0.249 547 G C 0.297 175.268 174.900 0.119 0.000 1.216 547 G CA -0.499 44.745 45.100 0.241 0.000 0.845 547 G HN 0.750 nan 8.290 nan 0.000 0.568 548 F N 1.724 121.311 119.950 -0.605 0.000 2.069 548 F HA -0.087 4.440 4.527 -0.000 0.000 0.298 548 F C 2.482 178.046 175.800 -0.393 0.000 1.113 548 F CA 2.627 59.956 58.000 -1.120 0.000 1.214 548 F CB -0.449 37.731 39.000 -1.368 0.000 0.978 548 F HN 0.460 nan 8.300 nan 0.000 0.474 549 G N -0.081 108.623 108.800 -0.159 0.000 2.491 549 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.218 549 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.218 549 G C 1.425 176.214 174.900 -0.183 0.000 1.180 549 G CA 1.180 46.188 45.100 -0.153 0.000 0.774 549 G HN 0.364 nan 8.290 nan 0.000 0.562 550 D N -0.112 120.238 120.400 -0.083 0.000 2.149 550 D HA -0.110 4.530 4.640 -0.000 0.000 0.198 550 D C 2.001 178.259 176.300 -0.071 0.000 0.990 550 D CA 0.654 54.625 54.000 -0.049 0.000 0.839 550 D CB -0.324 40.492 40.800 0.026 0.000 0.948 550 D HN 0.302 nan 8.370 nan 0.000 0.460 551 F N 1.985 121.832 119.950 -0.171 0.000 2.102 551 F HA -0.227 4.300 4.527 -0.000 0.000 0.298 551 F C 2.502 178.148 175.800 -0.256 0.000 1.105 551 F CA 2.204 60.114 58.000 -0.149 0.000 1.239 551 F CB -0.823 38.154 39.000 -0.037 0.000 0.991 551 F HN -0.024 nan 8.300 nan 0.000 0.474 552 T N -2.142 112.018 114.554 -0.656 0.000 2.849 552 T HA -0.142 4.208 4.350 -0.000 0.000 0.270 552 T C 1.978 176.389 174.700 -0.481 0.000 1.066 552 T CA 1.515 63.208 62.100 -0.679 0.000 1.130 552 T CB -1.224 67.271 68.868 -0.622 0.000 0.864 552 T HN 0.170 nan 8.240 nan 0.000 0.481 553 V N 1.328 121.028 119.914 -0.356 0.000 2.379 553 V HA 0.043 4.163 4.120 -0.000 0.000 0.243 553 V C 2.941 178.894 176.094 -0.235 0.000 1.035 553 V CA 1.619 63.776 62.300 -0.238 0.000 1.035 553 V CB -0.642 31.086 31.823 -0.159 0.000 0.673 553 V HN 0.447 nan 8.190 nan 0.000 0.457 554 R N 0.830 121.178 120.500 -0.253 0.000 2.073 554 R HA -0.118 4.222 4.340 -0.000 0.000 0.234 554 R C 1.993 178.136 176.300 -0.262 0.000 1.134 554 R CA 1.739 57.720 56.100 -0.198 0.000 0.952 554 R CB -0.409 29.820 30.300 -0.118 0.000 0.850 554 R HN 0.457 nan 8.270 nan 0.000 0.433 555 A N -0.209 122.313 122.820 -0.496 0.000 2.235 555 A HA 0.173 4.493 4.320 -0.000 0.000 0.208 555 A C 1.345 178.742 177.584 -0.312 0.000 1.172 555 A CA 0.791 52.534 52.037 -0.489 0.000 0.786 555 A CB -0.422 17.982 19.000 -0.993 0.000 0.804 555 A HN 0.660 nan 8.150 nan 0.000 0.479 556 G N -0.640 108.004 108.800 -0.259 0.000 2.155 556 G HA2 -0.306 3.653 3.960 -0.000 0.000 0.257 556 G HA3 -0.306 3.653 3.960 -0.000 0.000 0.257 556 G C 0.772 175.587 174.900 -0.141 0.000 0.983 556 G CA 0.588 45.590 45.100 -0.163 0.000 0.676 556 G HN 0.509 nan 8.290 nan 0.000 0.528 557 I N -1.116 119.327 120.570 -0.211 0.000 2.439 557 I HA 0.194 4.364 4.170 -0.000 0.000 0.251 557 I C 1.082 177.143 176.117 -0.094 0.000 1.139 557 I CA 0.878 62.085 61.300 -0.156 0.000 1.438 557 I CB 0.050 37.880 38.000 -0.284 0.000 1.085 557 I HN 0.311 nan 8.210 nan 0.000 0.427 558 I N -0.523 119.964 120.570 -0.138 0.000 2.752 558 I HA 0.315 4.485 4.170 -0.000 0.000 0.295 558 I C -0.531 175.538 176.117 -0.080 0.000 1.219 558 I CA -0.607 60.649 61.300 -0.073 0.000 1.030 558 I CB 1.636 39.566 38.000 -0.116 0.000 1.259 558 I HN -0.160 nan 8.210 nan 0.000 0.423 559 R N 6.894 127.368 120.500 -0.043 0.000 2.441 559 R HA 0.466 4.806 4.340 -0.000 0.000 0.284 559 R C -2.402 173.866 176.300 -0.054 0.000 1.070 559 R CA -1.433 54.639 56.100 -0.047 0.000 1.047 559 R CB 0.555 30.840 30.300 -0.027 0.000 1.016 559 R HN 0.411 nan 8.270 nan 0.000 0.477 560 P HA 0.117 nan 4.420 nan 0.000 0.276 560 P C -0.519 176.749 177.300 -0.053 0.000 1.244 560 P CA -0.384 62.679 63.100 -0.061 0.000 0.801 560 P CB 0.866 32.528 31.700 -0.064 0.000 1.006 561 V N 3.590 123.469 119.914 -0.058 0.000 2.334 561 V HA 0.107 4.227 4.120 -0.000 0.000 0.267 561 V C 1.543 177.597 176.094 -0.067 0.000 1.040 561 V CA 0.000 62.263 62.300 -0.063 0.000 0.866 561 V CB 0.318 32.097 31.823 -0.073 0.000 1.019 561 V HN 0.453 nan 8.190 nan 0.000 0.468 562 L N 2.184 123.371 121.223 -0.060 0.000 2.416 562 L HA 0.373 4.713 4.340 -0.000 0.000 0.216 562 L C 0.582 177.413 176.870 -0.066 0.000 1.098 562 L CA 0.577 55.382 54.840 -0.059 0.000 0.840 562 L CB 0.293 42.325 42.059 -0.046 0.000 0.981 562 L HN 0.585 nan 8.230 nan 0.000 0.462 563 D N -0.526 119.830 120.400 -0.074 0.000 2.823 563 D HA 0.128 4.768 4.640 -0.000 0.000 0.255 563 D C -1.810 174.413 176.300 -0.127 0.000 1.257 563 D CA -1.610 52.336 54.000 -0.089 0.000 0.803 563 D CB 0.979 41.738 40.800 -0.068 0.000 1.384 563 D HN -0.222 nan 8.370 nan 0.000 0.541 564 P HA -0.308 nan 4.420 nan 0.000 0.222 564 P C 1.264 178.355 177.300 -0.348 0.000 1.157 564 P CA 1.846 64.837 63.100 -0.181 0.000 0.905 564 P CB 0.202 31.823 31.700 -0.132 0.000 0.792 565 A N -0.779 121.678 122.820 -0.605 0.000 2.019 565 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 565 A C 2.330 179.687 177.584 -0.377 0.000 1.164 565 A CA 1.726 53.134 52.037 -1.048 0.000 0.644 565 A CB -0.840 17.671 19.000 -0.814 0.000 0.805 565 A HN 0.180 nan 8.150 nan 0.000 0.449 566 R N -1.319 119.070 120.500 -0.184 0.000 2.287 566 R HA 0.051 4.391 4.340 -0.000 0.000 0.197 566 R C 0.420 176.725 176.300 0.007 0.000 0.900 566 R CA 0.877 56.947 56.100 -0.048 0.000 1.052 566 R CB 0.365 30.641 30.300 -0.039 0.000 1.117 566 R HN 0.614 nan 8.270 nan 0.000 0.568 567 D N -0.304 120.086 120.400 -0.017 0.000 2.513 567 D HA -0.042 4.598 4.640 -0.000 0.000 0.222 567 D C 1.265 177.564 176.300 -0.002 0.000 1.210 567 D CA -0.197 53.809 54.000 0.010 0.000 0.825 567 D CB 0.157 40.950 40.800 -0.012 0.000 1.037 567 D HN 0.033 nan 8.370 nan 0.000 0.506 568 L N -0.271 120.936 121.223 -0.026 0.000 2.056 568 L HA 0.216 4.556 4.340 -0.000 0.000 0.207 568 L C -0.022 176.722 176.870 -0.210 0.000 1.078 568 L CA 1.234 55.982 54.840 -0.154 0.000 0.749 568 L CB -0.379 41.531 42.059 -0.249 0.000 0.901 568 L HN 0.008 nan 8.230 nan 0.000 0.433 569 W N 1.068 122.406 121.300 0.064 0.000 2.376 569 W HA 0.340 5.000 4.660 -0.000 0.000 0.322 569 W C 0.608 177.151 176.519 0.040 0.000 1.160 569 W CA -0.839 56.546 57.345 0.067 0.000 1.218 569 W CB 0.380 29.889 29.460 0.080 0.000 1.205 569 W HN -0.054 nan 8.180 nan 0.000 0.559 570 D N 0.000 120.564 120.400 0.274 0.000 6.856 570 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 570 D CA 0.000 54.096 54.000 0.160 0.000 0.868 570 D CB 0.000 40.861 40.800 0.101 0.000 0.688 570 D HN 0.000 nan 8.370 nan 0.000 0.683