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 3o8l_1_B DATA FIRST_RESID 9 DATA SEQUENCE ARTLGVGKAI AVLTSGGDAQ GMNAAVRAVV RVGIFTGARV FFVHEGYQGL DATA SEQUENCE VDGGDHIREA TWESVSMMLQ LGGTVIGSAR CKDFREREGR LRAAHNLVKR DATA SEQUENCE GITNLCVIGG DGSLTGADTF RSEWSDLLSD LQKAGKITAE EATRSSYLNI DATA SEQUENCE VGLVGSIDND FCGTDMTIGT DSALHRITEI VDAITTTAQS HQRTFVLEVM DATA SEQUENCE GRHCGYLALV TSLSCGADWV FIPECPPDDN WEDHLCRRLS ETRTRGSRLN DATA SEQUENCE IIIVAEGAID RNGKPITSEG VKDLVVRRLG YDTRVTVLGH VQRGGTPSAF DATA SEQUENCE DRILGSRMGV EAVMALLEGT PDTPACVVSL SGNQAVRLPL MECVQVTKDV DATA SEQUENCE TKAMDEKRFD EAMKLRGRSF MNNWEVYKLL AHIRPPAPKS GSYTVAVMNV DATA SEQUENCE GAPAAGMNAA VRSTVRIGLI QGNRVLVVHD GFEGPAKGQI EEAGWSYVGG DATA SEQUENCE WTGQGGSKLG SKRTLPKKSF EQISANITKF NIQGLVIIGG FEAYTGGLEL DATA SEQUENCE MEGRKQFDEL CIPFVVIPAT VSNNVPGSDF SVGADTALNT ICTTCDRIKQ DATA SEQUENCE SAAGTKRRVF IIETMGGYCG YLATMAGLAA GADAAYIFEE PFTIRDLQAN DATA SEQUENCE VEHLVQKMKT TVKRGLVLRN EKCNENYTTD FIFNLYSEEG KGIFDSRKNV DATA SEQUENCE LGHMQQGGSP TPFDRNFATK MGAKAMNWMA GKIKESYRNG RIFANTPDSG DATA SEQUENCE CVLGMRKRAL VFQPVTELQN QTDFEHRIPK EQWWLKLRPI LKILAKYE 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 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.380 177.584 -0.341 0.000 1.274 9 A CA 0.000 51.916 52.037 -0.201 0.000 0.836 9 A CB 0.000 18.937 19.000 -0.105 0.000 0.831 10 R N 0.881 121.153 120.500 -0.380 0.000 2.377 10 R HA -0.049 4.292 4.340 0.001 0.000 0.207 10 R C 1.442 177.632 176.300 -0.183 0.000 1.075 10 R CA 1.533 57.408 56.100 -0.376 0.000 1.035 10 R CB 0.033 30.241 30.300 -0.152 0.000 0.857 10 R HN 0.714 nan 8.270 nan 0.000 0.475 11 T N -0.342 114.125 114.554 -0.145 0.000 3.058 11 T HA 0.043 4.393 4.350 0.001 0.000 0.247 11 T C 1.411 176.062 174.700 -0.081 0.000 0.987 11 T CA -0.290 61.759 62.100 -0.085 0.000 1.062 11 T CB 0.074 68.910 68.868 -0.054 0.000 1.048 11 T HN 0.114 nan 8.240 nan 0.000 0.468 12 L N 1.720 122.887 121.223 -0.094 0.000 2.468 12 L HA 0.093 4.433 4.340 0.001 0.000 0.225 12 L C 1.643 178.474 176.870 -0.065 0.000 1.139 12 L CA 2.017 56.814 54.840 -0.072 0.000 0.792 12 L CB -0.541 41.471 42.059 -0.079 0.000 0.916 12 L HN 0.449 nan 8.230 nan 0.000 0.446 13 G N -2.350 106.401 108.800 -0.081 0.000 3.528 13 G HA2 0.247 4.208 3.960 0.001 0.000 0.266 13 G HA3 0.247 4.208 3.960 0.001 0.000 0.266 13 G C 0.013 174.886 174.900 -0.046 0.000 1.004 13 G CA 0.111 45.174 45.100 -0.061 0.000 0.853 13 G HN 0.081 nan 8.290 nan 0.000 0.501 14 V N 1.085 120.972 119.914 -0.044 0.000 2.673 14 V HA 0.423 4.544 4.120 0.001 0.000 0.303 14 V C 1.740 177.824 176.094 -0.016 0.000 1.046 14 V CA 1.556 63.838 62.300 -0.029 0.000 1.126 14 V CB 0.466 32.274 31.823 -0.026 0.000 0.934 14 V HN 0.792 nan 8.190 nan 0.000 0.487 15 G N 3.962 112.756 108.800 -0.010 0.000 3.329 15 G HA2 -0.237 3.724 3.960 0.001 0.000 0.220 15 G HA3 -0.237 3.724 3.960 0.001 0.000 0.220 15 G C 0.557 175.462 174.900 0.010 0.000 1.358 15 G CA 0.147 45.248 45.100 0.001 0.000 0.856 15 G HN 0.586 nan 8.290 nan 0.000 0.551 16 K N 1.555 121.959 120.400 0.007 0.000 2.218 16 K HA 0.571 4.891 4.320 0.001 0.000 0.250 16 K C 0.528 177.141 176.600 0.022 0.000 1.024 16 K CA 0.860 57.158 56.287 0.018 0.000 0.842 16 K CB 0.087 32.593 32.500 0.011 0.000 1.041 16 K HN 1.635 nan 8.250 nan 0.000 0.522 17 A N 0.126 122.972 122.820 0.043 0.000 2.612 17 A HA 0.683 5.004 4.320 0.001 0.000 0.293 17 A C -1.022 176.604 177.584 0.071 0.000 1.075 17 A CA -0.814 51.258 52.037 0.057 0.000 0.680 17 A CB 1.186 20.293 19.000 0.178 0.000 1.279 17 A HN 0.711 nan 8.150 nan 0.000 0.411 18 I N -1.539 119.063 120.570 0.054 0.000 3.095 18 I HA 0.945 5.116 4.170 0.001 0.000 0.310 18 I C -0.790 175.391 176.117 0.107 0.000 1.196 18 I CA -1.123 60.211 61.300 0.057 0.000 0.985 18 I CB 2.279 40.275 38.000 -0.007 0.000 1.250 18 I HN 1.308 nan 8.210 nan 0.000 0.446 19 A N 4.227 127.102 122.820 0.092 0.000 2.402 19 A HA 0.660 4.980 4.320 0.001 0.000 0.291 19 A C -1.395 176.214 177.584 0.042 0.000 1.051 19 A CA -0.530 51.576 52.037 0.114 0.000 0.716 19 A CB 1.485 20.577 19.000 0.153 0.000 1.223 19 A HN 0.748 nan 8.150 nan 0.000 0.425 20 V N 4.277 124.208 119.914 0.028 0.000 2.716 20 V HA 0.902 5.022 4.120 0.001 0.000 0.304 20 V C -0.520 175.580 176.094 0.011 0.000 1.053 20 V CA -0.416 61.885 62.300 0.002 0.000 0.984 20 V CB 1.527 33.348 31.823 -0.003 0.000 1.021 20 V HN 1.266 nan 8.190 nan 0.000 0.467 21 L N 4.279 125.463 121.223 -0.064 0.000 2.591 21 L HA 0.689 5.029 4.340 0.001 0.000 0.257 21 L C -1.207 175.546 176.870 -0.195 0.000 0.935 21 L CA -0.271 54.493 54.840 -0.126 0.000 0.873 21 L CB 2.288 44.243 42.059 -0.173 0.000 1.397 21 L HN 0.736 nan 8.230 nan 0.000 0.414 22 T N 1.454 115.885 114.554 -0.206 0.000 2.791 22 T HA 0.710 5.060 4.350 0.001 0.000 0.288 22 T C -0.317 174.238 174.700 -0.243 0.000 0.999 22 T CA 0.311 62.287 62.100 -0.208 0.000 0.952 22 T CB 0.991 69.764 68.868 -0.158 0.000 0.938 22 T HN 0.995 nan 8.240 nan 0.000 0.444 23 S N 3.471 118.995 115.700 -0.293 0.000 2.751 23 S HA 0.988 5.458 4.470 0.001 0.000 0.310 23 S C 0.543 175.061 174.600 -0.136 0.000 1.128 23 S CA -0.089 57.950 58.200 -0.268 0.000 0.931 23 S CB 1.103 63.993 63.200 -0.518 0.000 1.177 23 S HN 2.156 nan 8.310 nan 0.000 0.530 24 G N -0.561 108.206 108.800 -0.054 0.000 2.781 24 G HA2 0.357 4.317 3.960 0.001 0.000 0.683 24 G HA3 0.357 4.317 3.960 0.001 0.000 0.683 24 G C 0.280 175.178 174.900 -0.003 0.000 1.390 24 G CA -0.331 44.766 45.100 -0.004 0.000 0.850 24 G HN 1.718 nan 8.290 nan 0.000 0.557 25 G N -0.288 108.525 108.800 0.022 0.000 2.647 25 G HA2 0.398 4.358 3.960 0.001 0.000 0.234 25 G HA3 0.398 4.358 3.960 0.001 0.000 0.234 25 G C 0.090 174.996 174.900 0.011 0.000 1.252 25 G CA 0.519 45.637 45.100 0.030 0.000 0.846 25 G HN 0.753 nan 8.290 nan 0.000 0.589 26 D N 0.130 120.545 120.400 0.025 0.000 2.389 26 D HA 0.476 5.116 4.640 0.001 0.000 0.247 26 D C 0.192 176.487 176.300 -0.009 0.000 1.128 26 D CA 0.718 54.721 54.000 0.004 0.000 0.884 26 D CB 1.438 42.260 40.800 0.035 0.000 1.194 26 D HN 0.554 nan 8.370 nan 0.000 0.441 27 A N 3.000 125.801 122.820 -0.032 0.000 2.459 27 A HA 0.338 4.658 4.320 0.001 0.000 0.296 27 A C -0.725 176.825 177.584 -0.056 0.000 1.039 27 A CA -0.795 51.220 52.037 -0.037 0.000 0.698 27 A CB 1.097 20.080 19.000 -0.027 0.000 1.261 27 A HN 0.422 nan 8.150 nan 0.000 0.405 28 Q N 0.891 120.656 119.800 -0.059 0.000 2.256 28 Q HA 0.407 4.748 4.340 0.001 0.000 0.281 28 Q C 1.098 177.043 176.000 -0.091 0.000 1.162 28 Q CA 1.673 57.431 55.803 -0.075 0.000 0.943 28 Q CB 0.263 28.957 28.738 -0.074 0.000 1.195 28 Q HN 1.700 nan 8.270 nan 0.000 0.403 29 G N 1.653 110.390 108.800 -0.104 0.000 2.370 29 G HA2 -0.205 3.755 3.960 0.001 0.000 0.174 29 G HA3 -0.205 3.755 3.960 0.001 0.000 0.174 29 G C 0.596 175.424 174.900 -0.121 0.000 1.002 29 G CA 0.007 45.031 45.100 -0.127 0.000 0.730 29 G HN 0.520 nan 8.290 nan 0.000 0.497 30 M N 0.647 120.184 119.600 -0.105 0.000 2.200 30 M HA 0.080 4.561 4.480 0.001 0.000 0.265 30 M C 2.355 178.592 176.300 -0.105 0.000 1.066 30 M CA 1.315 56.553 55.300 -0.104 0.000 1.127 30 M CB -0.390 32.151 32.600 -0.099 0.000 1.379 30 M HN 0.145 nan 8.290 nan 0.000 0.420 31 N N 1.245 119.882 118.700 -0.105 0.000 2.069 31 N HA -0.142 4.599 4.740 0.001 0.000 0.191 31 N C 1.831 177.279 175.510 -0.103 0.000 1.031 31 N CA 1.872 54.859 53.050 -0.105 0.000 0.852 31 N CB -0.525 37.899 38.487 -0.105 0.000 1.018 31 N HN 0.367 nan 8.380 nan 0.000 0.423 32 A N 1.165 123.918 122.820 -0.112 0.000 1.884 32 A HA -0.142 4.179 4.320 0.001 0.000 0.219 32 A C 2.416 179.932 177.584 -0.114 0.000 1.197 32 A CA 2.559 54.525 52.037 -0.119 0.000 0.637 32 A CB -1.036 17.882 19.000 -0.136 0.000 0.827 32 A HN 0.373 nan 8.150 nan 0.000 0.450 33 A N -0.866 121.887 122.820 -0.112 0.000 1.898 33 A HA 0.055 4.375 4.320 0.001 0.000 0.216 33 A C 2.245 179.776 177.584 -0.087 0.000 1.181 33 A CA 1.747 53.723 52.037 -0.102 0.000 0.620 33 A CB -0.950 17.987 19.000 -0.105 0.000 0.819 33 A HN 0.454 nan 8.150 nan 0.000 0.442 34 V N 0.428 120.297 119.914 -0.075 0.000 2.295 34 V HA -0.292 3.829 4.120 0.001 0.000 0.246 34 V C 2.629 178.693 176.094 -0.050 0.000 1.049 34 V CA 2.316 64.595 62.300 -0.035 0.000 1.024 34 V CB -0.933 30.894 31.823 0.007 0.000 0.648 34 V HN 0.688 nan 8.190 nan 0.000 0.447 35 R N 0.514 120.969 120.500 -0.076 0.000 2.097 35 R HA -0.258 4.082 4.340 0.001 0.000 0.236 35 R C 2.348 178.541 176.300 -0.180 0.000 1.135 35 R CA 2.161 58.183 56.100 -0.130 0.000 0.934 35 R CB -0.647 29.572 30.300 -0.134 0.000 0.846 35 R HN 0.465 nan 8.270 nan 0.000 0.431 36 A N 0.500 123.236 122.820 -0.139 0.000 1.859 36 A HA -0.183 4.137 4.320 0.001 0.000 0.217 36 A C 2.387 179.898 177.584 -0.121 0.000 1.198 36 A CA 2.150 54.113 52.037 -0.122 0.000 0.629 36 A CB -0.976 17.972 19.000 -0.087 0.000 0.830 36 A HN 0.278 nan 8.150 nan 0.000 0.446 37 V N -0.296 119.555 119.914 -0.105 0.000 2.252 37 V HA -0.308 3.812 4.120 0.001 0.000 0.249 37 V C 2.589 178.597 176.094 -0.143 0.000 1.056 37 V CA 2.246 64.487 62.300 -0.099 0.000 1.022 37 V CB -1.101 30.671 31.823 -0.086 0.000 0.641 37 V HN 0.403 nan 8.190 nan 0.000 0.445 38 V N -0.115 119.678 119.914 -0.202 0.000 2.233 38 V HA -0.270 3.851 4.120 0.001 0.000 0.247 38 V C 2.690 178.594 176.094 -0.318 0.000 1.050 38 V CA 2.151 64.270 62.300 -0.301 0.000 1.010 38 V CB -0.857 30.748 31.823 -0.363 0.000 0.637 38 V HN 0.435 nan 8.190 nan 0.000 0.444 39 R N -0.069 120.163 120.500 -0.448 0.000 2.070 39 R HA -0.098 4.242 4.340 0.001 0.000 0.232 39 R C 2.279 178.517 176.300 -0.104 0.000 1.138 39 R CA 1.458 57.150 56.100 -0.680 0.000 0.936 39 R CB -1.197 28.605 30.300 -0.830 0.000 0.839 39 R HN 0.462 nan 8.270 nan 0.000 0.429 40 V N 0.517 120.422 119.914 -0.014 0.000 2.490 40 V HA -0.170 3.951 4.120 0.001 0.000 0.250 40 V C 2.419 178.596 176.094 0.139 0.000 1.061 40 V CA 2.032 64.429 62.300 0.161 0.000 1.064 40 V CB -0.968 30.909 31.823 0.090 0.000 0.670 40 V HN 0.511 nan 8.190 nan 0.000 0.461 41 G N -0.183 108.632 108.800 0.025 0.000 2.394 41 G HA2 -0.145 3.816 3.960 0.001 0.000 0.214 41 G HA3 -0.145 3.816 3.960 0.001 0.000 0.214 41 G C 1.477 176.395 174.900 0.030 0.000 1.176 41 G CA 0.560 45.654 45.100 -0.009 0.000 0.786 41 G HN 0.336 nan 8.290 nan 0.000 0.533 42 I N 0.671 121.286 120.570 0.075 0.000 2.118 42 I HA -0.139 4.031 4.170 0.001 0.000 0.241 42 I C 2.460 178.742 176.117 0.274 0.000 1.070 42 I CA 0.986 62.387 61.300 0.169 0.000 1.327 42 I CB -1.205 37.000 38.000 0.341 0.000 1.034 42 I HN 0.190 nan 8.210 nan 0.000 0.405 43 F N 1.996 122.096 119.950 0.250 0.000 2.069 43 F HA -0.276 4.251 4.527 0.001 0.000 0.298 43 F C 2.747 178.597 175.800 0.083 0.000 1.113 43 F CA 2.210 60.321 58.000 0.186 0.000 1.214 43 F CB -1.243 37.905 39.000 0.247 0.000 0.978 43 F HN 0.051 nan 8.300 nan 0.000 0.474 44 T N -0.491 113.933 114.554 -0.217 0.000 3.052 44 T HA 0.086 4.436 4.350 0.001 0.000 0.270 44 T C 1.539 176.120 174.700 -0.198 0.000 1.147 44 T CA 1.634 63.525 62.100 -0.349 0.000 1.089 44 T CB -1.127 67.631 68.868 -0.182 0.000 0.875 44 T HN 0.859 nan 8.240 nan 0.000 0.541 45 G N -0.444 108.300 108.800 -0.094 0.000 2.195 45 G HA2 -0.011 3.949 3.960 0.001 0.000 0.224 45 G HA3 -0.011 3.949 3.960 0.001 0.000 0.224 45 G C 0.263 175.140 174.900 -0.039 0.000 0.990 45 G CA -0.023 45.045 45.100 -0.054 0.000 0.639 45 G HN 0.973 nan 8.290 nan 0.000 0.514 46 A N -0.376 122.416 122.820 -0.045 0.000 2.239 46 A HA 0.896 5.216 4.320 0.001 0.000 0.303 46 A C 0.484 178.012 177.584 -0.093 0.000 1.114 46 A CA 0.218 52.221 52.037 -0.057 0.000 0.871 46 A CB 0.713 19.678 19.000 -0.057 0.000 1.201 46 A HN 0.773 nan 8.150 nan 0.000 0.506 47 R N -0.178 120.229 120.500 -0.155 0.000 2.393 47 R HA 0.564 4.905 4.340 0.001 0.000 0.315 47 R C -1.799 174.202 176.300 -0.498 0.000 0.952 47 R CA -0.336 55.580 56.100 -0.307 0.000 0.842 47 R CB 1.370 31.476 30.300 -0.323 0.000 1.163 47 R HN 0.479 nan 8.270 nan 0.000 0.450 48 V N 5.604 125.208 119.914 -0.516 0.000 2.481 48 V HA 0.458 4.578 4.120 0.001 0.000 0.286 48 V C -0.577 175.092 176.094 -0.708 0.000 1.042 48 V CA -0.335 61.662 62.300 -0.506 0.000 0.928 48 V CB 1.369 32.966 31.823 -0.376 0.000 0.986 48 V HN 0.605 nan 8.190 nan 0.000 0.462 49 F N 3.490 123.341 119.950 -0.166 0.000 2.482 49 F HA 0.551 5.079 4.527 0.001 0.000 0.331 49 F C 0.095 175.850 175.800 -0.075 0.000 1.115 49 F CA -0.470 57.464 58.000 -0.111 0.000 0.955 49 F CB 1.315 40.307 39.000 -0.014 0.000 1.136 49 F HN 0.304 nan 8.300 nan 0.000 0.452 50 F N 1.785 121.850 119.950 0.192 0.000 2.380 50 F HA 0.531 5.058 4.527 0.001 0.000 0.325 50 F C 0.046 175.917 175.800 0.119 0.000 1.136 50 F CA -0.699 57.339 58.000 0.063 0.000 1.171 50 F CB 1.219 40.227 39.000 0.014 0.000 1.230 50 F HN -0.016 nan 8.300 nan 0.000 0.554 51 V N 2.296 122.355 119.914 0.241 0.000 2.501 51 V HA 0.151 4.271 4.120 0.001 0.000 0.277 51 V C -0.711 175.440 176.094 0.095 0.000 1.004 51 V CA -0.805 61.614 62.300 0.198 0.000 0.862 51 V CB 0.730 32.609 31.823 0.092 0.000 1.035 51 V HN 0.624 nan 8.190 nan 0.000 0.448 52 H N 3.161 122.254 119.070 0.038 0.000 2.757 52 H HA 0.273 4.829 4.556 0.001 0.000 0.370 52 H C 0.965 176.320 175.328 0.045 0.000 1.172 52 H CA 0.400 56.431 56.048 -0.029 0.000 1.426 52 H CB 0.409 30.087 29.762 -0.141 0.000 1.438 52 H HN 0.596 nan 8.280 nan 0.000 0.612 53 E N 0.371 120.632 120.200 0.101 0.000 2.604 53 E HA -0.280 4.070 4.350 0.001 0.000 0.255 53 E C 1.077 177.691 176.600 0.022 0.000 1.164 53 E CA 1.329 57.777 56.400 0.081 0.000 0.737 53 E CB -1.604 28.208 29.700 0.187 0.000 1.317 53 E HN 1.080 nan 8.360 nan 0.000 0.417 54 G N -0.565 108.198 108.800 -0.060 0.000 2.512 54 G HA2 -0.409 3.551 3.960 0.001 0.000 0.254 54 G HA3 -0.409 3.551 3.960 0.001 0.000 0.254 54 G C 0.530 175.320 174.900 -0.183 0.000 1.199 54 G CA 0.286 45.274 45.100 -0.186 0.000 0.941 54 G HN 0.219 nan 8.290 nan 0.000 0.569 55 Y N 0.750 120.919 120.300 -0.219 0.000 2.181 55 Y HA -0.161 4.389 4.550 0.001 0.000 0.288 55 Y C 3.314 179.101 175.900 -0.187 0.000 1.146 55 Y CA 2.180 60.058 58.100 -0.370 0.000 1.164 55 Y CB -0.225 37.870 38.460 -0.609 0.000 0.982 55 Y HN 0.673 nan 8.280 nan 0.000 0.515 56 Q N 0.329 120.170 119.800 0.069 0.000 2.103 56 Q HA -0.259 4.081 4.340 0.001 0.000 0.213 56 Q C 2.354 178.339 176.000 -0.026 0.000 1.008 56 Q CA 2.148 57.971 55.803 0.033 0.000 0.879 56 Q CB -0.681 28.081 28.738 0.040 0.000 0.946 56 Q HN 0.544 nan 8.270 nan 0.000 0.413 57 G N 0.130 108.940 108.800 0.017 0.000 2.598 57 G HA2 -0.146 3.814 3.960 0.001 0.000 0.215 57 G HA3 -0.146 3.814 3.960 0.001 0.000 0.215 57 G C 1.194 176.117 174.900 0.038 0.000 1.131 57 G CA 0.514 45.622 45.100 0.013 0.000 0.785 57 G HN 0.348 nan 8.290 nan 0.000 0.539 58 L N 0.534 121.775 121.223 0.029 0.000 2.102 58 L HA 0.169 4.509 4.340 0.001 0.000 0.202 58 L C 2.836 179.745 176.870 0.066 0.000 1.076 58 L CA 1.244 56.106 54.840 0.037 0.000 0.761 58 L CB -0.496 41.558 42.059 -0.008 0.000 0.921 58 L HN 0.041 nan 8.230 nan 0.000 0.444 59 V N 0.080 120.036 119.914 0.070 0.000 2.427 59 V HA -0.214 3.906 4.120 0.001 0.000 0.248 59 V C 1.852 177.980 176.094 0.057 0.000 1.051 59 V CA 1.521 63.886 62.300 0.108 0.000 1.048 59 V CB -0.745 31.153 31.823 0.125 0.000 0.666 59 V HN 0.433 nan 8.190 nan 0.000 0.456 60 D N -0.209 120.185 120.400 -0.009 0.000 1.695 60 D HA 0.362 5.002 4.640 0.001 0.000 0.313 60 D C 0.755 177.050 176.300 -0.009 0.000 1.070 60 D CA 1.546 55.510 54.000 -0.061 0.000 0.883 60 D CB -0.143 40.515 40.800 -0.238 0.000 1.314 60 D HN 0.450 nan 8.370 nan 0.000 0.442 61 G N -2.796 105.991 108.800 -0.023 0.000 2.350 61 G HA2 0.326 4.286 3.960 0.001 0.000 0.276 61 G HA3 0.326 4.286 3.960 0.001 0.000 0.276 61 G C 0.731 175.662 174.900 0.051 0.000 1.313 61 G CA 0.270 45.390 45.100 0.033 0.000 0.903 61 G HN 0.589 nan 8.290 nan 0.000 0.490 62 G N 0.283 109.107 108.800 0.039 0.000 3.402 62 G HA2 -0.491 3.470 3.960 0.001 0.000 0.366 62 G HA3 -0.491 3.470 3.960 0.001 0.000 0.366 62 G C 1.332 176.264 174.900 0.053 0.000 2.133 62 G CA 2.641 47.763 45.100 0.036 0.000 2.415 62 G HN 1.413 nan 8.290 nan 0.000 0.910 63 D N -0.313 120.144 120.400 0.094 0.000 2.154 63 D HA 0.011 4.651 4.640 0.001 0.000 0.211 63 D C 1.886 178.231 176.300 0.074 0.000 0.977 63 D CA 1.102 55.160 54.000 0.096 0.000 0.869 63 D CB -0.337 40.569 40.800 0.177 0.000 1.022 63 D HN 0.475 nan 8.370 nan 0.000 0.461 64 H N -0.550 118.492 119.070 -0.046 0.000 2.602 64 H HA 0.229 4.785 4.556 0.001 0.000 0.285 64 H C -0.396 174.990 175.328 0.097 0.000 1.093 64 H CA 0.432 56.469 56.048 -0.019 0.000 1.201 64 H CB -0.667 29.118 29.762 0.039 0.000 1.294 64 H HN 0.204 nan 8.280 nan 0.000 0.633 65 I N 1.189 121.855 120.570 0.158 0.000 2.649 65 I HA 0.190 4.360 4.170 0.001 0.000 0.275 65 I C -0.169 176.051 176.117 0.171 0.000 1.153 65 I CA -0.301 61.105 61.300 0.177 0.000 1.069 65 I CB 0.681 38.727 38.000 0.077 0.000 1.227 65 I HN 0.080 nan 8.210 nan 0.000 0.505 66 R N 2.638 123.317 120.500 0.297 0.000 2.607 66 R HA 0.486 4.826 4.340 0.001 0.000 0.261 66 R C -0.206 176.350 176.300 0.427 0.000 1.051 66 R CA -0.756 55.529 56.100 0.308 0.000 1.110 66 R CB 1.812 32.298 30.300 0.311 0.000 1.158 66 R HN 0.406 nan 8.270 nan 0.000 0.543 67 E N 0.553 120.961 120.200 0.347 0.000 2.191 67 E HA 0.385 4.736 4.350 0.001 0.000 0.278 67 E C -1.256 175.357 176.600 0.021 0.000 0.972 67 E CA -0.598 55.929 56.400 0.211 0.000 0.804 67 E CB 1.507 31.308 29.700 0.168 0.000 1.110 67 E HN 0.631 nan 8.360 nan 0.000 0.394 68 A N 3.398 126.050 122.820 -0.280 0.000 2.327 68 A HA 0.345 4.665 4.320 0.001 0.000 0.283 68 A C -0.023 177.436 177.584 -0.207 0.000 1.127 68 A CA -0.367 51.426 52.037 -0.407 0.000 0.810 68 A CB 1.314 19.604 19.000 -1.183 0.000 1.066 68 A HN 0.579 nan 8.150 nan 0.000 0.492 69 T N 2.073 116.591 114.554 -0.060 0.000 2.824 69 T HA 0.265 4.615 4.350 0.001 0.000 0.280 69 T C 1.063 175.782 174.700 0.031 0.000 0.995 69 T CA -0.528 61.580 62.100 0.014 0.000 1.009 69 T CB 0.368 69.275 68.868 0.067 0.000 0.955 69 T HN 0.720 nan 8.240 nan 0.000 0.452 70 W N 3.735 124.998 121.300 -0.061 0.000 2.277 70 W HA -0.252 4.408 4.660 0.001 0.000 0.327 70 W C 1.078 177.580 176.519 -0.029 0.000 1.284 70 W CA 2.520 59.835 57.345 -0.050 0.000 1.277 70 W CB -0.310 29.122 29.460 -0.046 0.000 1.141 70 W HN 0.891 nan 8.180 nan 0.000 0.482 71 E N 0.193 120.541 120.200 0.247 0.000 2.409 71 E HA -0.155 4.195 4.350 0.001 0.000 0.198 71 E C 2.317 178.951 176.600 0.057 0.000 1.024 71 E CA 1.577 58.072 56.400 0.160 0.000 0.861 71 E CB -0.537 29.249 29.700 0.143 0.000 0.788 71 E HN 0.311 nan 8.360 nan 0.000 0.521 72 S N 0.310 116.041 115.700 0.052 0.000 2.356 72 S HA -0.173 4.297 4.470 0.001 0.000 0.223 72 S C 2.096 176.738 174.600 0.071 0.000 1.032 72 S CA 1.185 59.443 58.200 0.096 0.000 1.005 72 S CB -0.843 62.491 63.200 0.223 0.000 0.867 72 S HN 0.278 nan 8.310 nan 0.000 0.449 73 V N 0.465 120.391 119.914 0.020 0.000 3.592 73 V HA 0.222 4.342 4.120 0.001 0.000 0.272 73 V C 1.042 177.090 176.094 -0.077 0.000 1.228 73 V CA 0.201 62.491 62.300 -0.017 0.000 1.173 73 V CB -1.583 30.194 31.823 -0.076 0.000 0.873 73 V HN 0.522 nan 8.190 nan 0.000 0.476 74 S N 0.399 116.063 115.700 -0.060 0.000 2.580 74 S HA 0.153 4.624 4.470 0.001 0.000 0.261 74 S C 0.924 175.493 174.600 -0.050 0.000 1.366 74 S CA 0.160 58.332 58.200 -0.047 0.000 0.996 74 S CB 0.014 63.209 63.200 -0.009 0.000 0.902 74 S HN 0.582 nan 8.310 nan 0.000 0.566 75 M N 1.059 120.628 119.600 -0.051 0.000 2.322 75 M HA -0.228 4.252 4.480 0.001 0.000 0.197 75 M C 0.639 176.898 176.300 -0.068 0.000 0.385 75 M CA 1.096 56.361 55.300 -0.058 0.000 0.418 75 M CB -2.386 30.185 32.600 -0.048 0.000 1.388 75 M HN 0.777 nan 8.290 nan 0.000 0.887 76 M N -2.197 117.356 119.600 -0.077 0.000 2.556 76 M HA -0.028 4.453 4.480 0.001 0.000 0.264 76 M C 1.813 178.058 176.300 -0.091 0.000 1.163 76 M CA 0.447 55.696 55.300 -0.085 0.000 1.186 76 M CB -0.065 32.481 32.600 -0.090 0.000 1.321 76 M HN 0.329 nan 8.290 nan 0.000 0.485 77 L N 1.274 122.440 121.223 -0.095 0.000 2.113 77 L HA -0.296 4.044 4.340 0.001 0.000 0.221 77 L C 1.862 178.671 176.870 -0.102 0.000 1.084 77 L CA 2.160 56.939 54.840 -0.102 0.000 0.787 77 L CB -0.433 41.565 42.059 -0.102 0.000 0.893 77 L HN 0.364 nan 8.230 nan 0.000 0.440 78 Q N -1.141 118.602 119.800 -0.096 0.000 2.403 78 Q HA 0.233 4.574 4.340 0.001 0.000 0.203 78 Q C -0.019 175.930 176.000 -0.085 0.000 0.932 78 Q CA 0.174 55.920 55.803 -0.093 0.000 0.945 78 Q CB -0.140 28.543 28.738 -0.091 0.000 1.045 78 Q HN 0.405 nan 8.270 nan 0.000 0.511 79 L N 1.215 122.387 121.223 -0.084 0.000 2.305 79 L HA 0.409 4.749 4.340 0.001 0.000 0.281 79 L C 0.911 177.735 176.870 -0.077 0.000 1.085 79 L CA -0.812 53.982 54.840 -0.076 0.000 0.813 79 L CB 0.786 42.799 42.059 -0.077 0.000 1.157 79 L HN 0.209 nan 8.230 nan 0.000 0.436 80 G N 1.728 110.488 108.800 -0.066 0.000 2.684 80 G HA2 0.417 4.377 3.960 0.001 0.000 0.255 80 G HA3 0.417 4.377 3.960 0.001 0.000 0.255 80 G C 0.556 175.419 174.900 -0.061 0.000 1.219 80 G CA 0.248 45.309 45.100 -0.064 0.000 0.901 80 G HN 0.969 nan 8.290 nan 0.000 0.548 81 G N -1.273 107.493 108.800 -0.057 0.000 2.564 81 G HA2 -0.024 3.936 3.960 0.001 0.000 0.309 81 G HA3 -0.024 3.936 3.960 0.001 0.000 0.309 81 G C 0.510 175.367 174.900 -0.072 0.000 1.320 81 G CA 0.805 45.874 45.100 -0.051 0.000 0.941 81 G HN 1.521 nan 8.290 nan 0.000 0.543 82 T N -2.107 112.401 114.554 -0.076 0.000 2.918 82 T HA 0.537 4.888 4.350 0.001 0.000 0.286 82 T C 1.173 175.797 174.700 -0.127 0.000 1.026 82 T CA 0.288 62.323 62.100 -0.109 0.000 1.031 82 T CB 1.741 70.537 68.868 -0.121 0.000 1.046 82 T HN 0.896 nan 8.240 nan 0.000 0.479 83 V N 3.776 123.586 119.914 -0.173 0.000 3.125 83 V HA 0.119 4.239 4.120 0.001 0.000 0.249 83 V C 1.908 177.831 176.094 -0.284 0.000 1.113 83 V CA 0.535 62.713 62.300 -0.203 0.000 1.106 83 V CB -0.096 31.595 31.823 -0.220 0.000 0.768 83 V HN 0.790 nan 8.190 nan 0.000 0.468 84 I N 0.961 121.310 120.570 -0.367 0.000 3.291 84 I HA 0.275 4.445 4.170 0.001 0.000 0.279 84 I C 1.287 177.225 176.117 -0.298 0.000 1.294 84 I CA 0.791 61.784 61.300 -0.510 0.000 1.428 84 I CB -1.176 36.509 38.000 -0.525 0.000 1.070 84 I HN 0.350 nan 8.210 nan 0.000 0.478 85 G N 0.406 109.098 108.800 -0.180 0.000 2.814 85 G HA2 -0.013 3.947 3.960 0.001 0.000 0.677 85 G HA3 -0.013 3.947 3.960 0.001 0.000 0.677 85 G C -0.127 174.721 174.900 -0.087 0.000 1.429 85 G CA -0.211 44.831 45.100 -0.096 0.000 0.868 85 G HN 0.542 nan 8.290 nan 0.000 0.553 86 S N -0.640 115.030 115.700 -0.050 0.000 2.333 86 S HA 0.759 5.229 4.470 0.001 0.000 0.250 86 S C 0.026 174.615 174.600 -0.018 0.000 0.959 86 S CA 0.866 59.034 58.200 -0.053 0.000 1.037 86 S CB 0.055 63.210 63.200 -0.075 0.000 1.215 86 S HN 2.429 nan 8.310 nan 0.000 0.410 87 A N 3.714 126.536 122.820 0.003 0.000 2.256 87 A HA 0.777 5.097 4.320 0.001 0.000 0.318 87 A C 0.348 177.956 177.584 0.040 0.000 1.103 87 A CA -0.854 51.199 52.037 0.026 0.000 0.860 87 A CB 0.755 19.781 19.000 0.043 0.000 1.182 87 A HN 0.829 nan 8.150 nan 0.000 0.501 88 R N 0.427 120.958 120.500 0.052 0.000 4.141 88 R HA 0.137 4.477 4.340 0.001 0.000 0.281 88 R C -0.197 176.156 176.300 0.088 0.000 1.608 88 R CA -0.174 55.969 56.100 0.073 0.000 1.426 88 R CB -0.322 30.014 30.300 0.061 0.000 1.432 88 R HN 0.614 nan 8.270 nan 0.000 0.708 89 C N 1.776 121.138 119.300 0.102 0.000 2.677 89 C HA 0.081 4.542 4.460 0.001 0.000 0.398 89 C C 1.247 176.313 174.990 0.127 0.000 1.378 89 C CA -0.267 58.815 59.018 0.105 0.000 1.543 89 C CB -0.470 27.336 27.740 0.110 0.000 2.356 89 C HN 0.533 nan 8.230 nan 0.000 0.609 90 K N 2.738 123.194 120.400 0.094 0.000 2.444 90 K HA 0.081 4.402 4.320 0.001 0.000 0.193 90 K C 1.254 177.899 176.600 0.075 0.000 1.024 90 K CA 0.619 56.957 56.287 0.086 0.000 1.077 90 K CB -0.077 32.458 32.500 0.059 0.000 0.833 90 K HN 0.723 nan 8.250 nan 0.000 0.517 91 D N -0.521 119.930 120.400 0.085 0.000 2.309 91 D HA -0.154 4.487 4.640 0.001 0.000 0.212 91 D C 1.082 177.434 176.300 0.087 0.000 0.968 91 D CA 0.689 54.731 54.000 0.070 0.000 0.882 91 D CB -0.039 40.805 40.800 0.073 0.000 0.918 91 D HN 0.144 nan 8.370 nan 0.000 0.503 92 F N 0.933 120.831 119.950 -0.086 0.000 2.317 92 F HA 0.078 4.605 4.527 0.001 0.000 0.293 92 F C 2.227 177.944 175.800 -0.140 0.000 1.085 92 F CA 0.291 58.181 58.000 -0.184 0.000 1.390 92 F CB 0.029 38.770 39.000 -0.432 0.000 1.077 92 F HN -0.279 nan 8.300 nan 0.000 0.517 93 R N 1.319 121.806 120.500 -0.020 0.000 2.140 93 R HA -0.214 4.127 4.340 0.001 0.000 0.250 93 R C 0.758 176.993 176.300 -0.107 0.000 1.150 93 R CA 1.530 57.598 56.100 -0.053 0.000 0.966 93 R CB -0.710 29.596 30.300 0.010 0.000 0.869 93 R HN 0.293 nan 8.270 nan 0.000 0.445 94 E N -1.158 118.986 120.200 -0.094 0.000 2.292 94 E HA 0.189 4.539 4.350 0.001 0.000 0.258 94 E C 0.345 176.868 176.600 -0.128 0.000 1.115 94 E CA -0.295 56.054 56.400 -0.086 0.000 0.929 94 E CB 0.901 30.574 29.700 -0.045 0.000 1.161 94 E HN 0.128 nan 8.360 nan 0.000 0.453 95 R N 0.493 120.939 120.500 -0.090 0.000 2.300 95 R HA 0.022 4.362 4.340 0.001 0.000 0.199 95 R C 1.274 177.541 176.300 -0.055 0.000 0.920 95 R CA 0.806 56.855 56.100 -0.085 0.000 1.046 95 R CB 0.084 30.344 30.300 -0.067 0.000 0.984 95 R HN 0.672 nan 8.270 nan 0.000 0.493 96 E N -1.275 118.898 120.200 -0.044 0.000 2.107 96 E HA -0.067 4.284 4.350 0.001 0.000 0.191 96 E C 1.591 178.186 176.600 -0.009 0.000 0.982 96 E CA 1.229 57.614 56.400 -0.025 0.000 0.809 96 E CB -0.141 29.547 29.700 -0.020 0.000 0.756 96 E HN 0.313 nan 8.360 nan 0.000 0.459 97 G N 0.963 109.759 108.800 -0.007 0.000 2.459 97 G HA2 -0.102 3.859 3.960 0.001 0.000 0.213 97 G HA3 -0.102 3.859 3.960 0.001 0.000 0.213 97 G C 1.600 176.544 174.900 0.073 0.000 1.155 97 G CA 0.275 45.396 45.100 0.036 0.000 0.811 97 G HN 0.043 nan 8.290 nan 0.000 0.534 98 R N 0.130 120.637 120.500 0.010 0.000 2.154 98 R HA -0.129 4.211 4.340 0.001 0.000 0.236 98 R C 2.554 178.983 176.300 0.216 0.000 1.121 98 R CA 1.769 57.926 56.100 0.096 0.000 0.915 98 R CB -0.865 29.446 30.300 0.018 0.000 0.856 98 R HN 0.298 nan 8.270 nan 0.000 0.431 99 L N 0.163 121.452 121.223 0.109 0.000 2.103 99 L HA -0.301 4.039 4.340 0.001 0.000 0.215 99 L C 2.846 179.801 176.870 0.143 0.000 1.080 99 L CA 1.665 56.558 54.840 0.088 0.000 0.764 99 L CB -0.545 41.518 42.059 0.008 0.000 0.890 99 L HN 0.298 nan 8.230 nan 0.000 0.435 100 R N 0.079 120.653 120.500 0.123 0.000 2.073 100 R HA -0.173 4.167 4.340 0.001 0.000 0.234 100 R C 2.364 178.795 176.300 0.218 0.000 1.134 100 R CA 1.478 57.658 56.100 0.133 0.000 0.952 100 R CB -0.218 30.133 30.300 0.085 0.000 0.850 100 R HN 0.358 nan 8.270 nan 0.000 0.433 101 A N 0.861 123.829 122.820 0.248 0.000 1.855 101 A HA -0.063 4.258 4.320 0.001 0.000 0.215 101 A C 2.405 180.200 177.584 0.351 0.000 1.191 101 A CA 1.602 53.805 52.037 0.276 0.000 0.613 101 A CB -1.007 18.194 19.000 0.335 0.000 0.829 101 A HN 0.528 nan 8.150 nan 0.000 0.442 102 A N -0.732 122.373 122.820 0.475 0.000 1.958 102 A HA -0.293 4.027 4.320 0.001 0.000 0.221 102 A C 1.992 179.796 177.584 0.367 0.000 1.178 102 A CA 2.571 54.944 52.037 0.561 0.000 0.642 102 A CB -1.008 18.240 19.000 0.413 0.000 0.816 102 A HN 0.804 nan 8.150 nan 0.000 0.453 103 H N 0.802 119.973 119.070 0.169 0.000 2.254 103 H HA -0.156 4.401 4.556 0.001 0.000 0.294 103 H C 2.051 177.452 175.328 0.122 0.000 1.071 103 H CA 2.264 58.374 56.048 0.103 0.000 1.228 103 H CB -0.375 29.427 29.762 0.065 0.000 1.358 103 H HN 0.490 nan 8.280 nan 0.000 0.495 104 N N 0.341 119.107 118.700 0.109 0.000 2.139 104 N HA -0.223 4.517 4.740 0.001 0.000 0.199 104 N C 2.123 177.638 175.510 0.008 0.000 1.003 104 N CA 1.793 54.856 53.050 0.020 0.000 0.892 104 N CB -0.407 38.134 38.487 0.089 0.000 1.039 104 N HN 0.386 nan 8.380 nan 0.000 0.461 105 L N 0.688 121.989 121.223 0.129 0.000 1.937 105 L HA -0.141 4.200 4.340 0.001 0.000 0.213 105 L C 2.453 179.395 176.870 0.120 0.000 1.077 105 L CA 1.016 55.954 54.840 0.164 0.000 0.758 105 L CB -0.982 41.289 42.059 0.354 0.000 0.888 105 L HN -0.066 nan 8.230 nan 0.000 0.433 106 V N 0.136 120.167 119.914 0.195 0.000 2.527 106 V HA -0.341 3.779 4.120 0.001 0.000 0.255 106 V C 2.443 178.532 176.094 -0.007 0.000 1.081 106 V CA 1.884 64.261 62.300 0.127 0.000 1.092 106 V CB -0.884 31.005 31.823 0.111 0.000 0.673 106 V HN 0.446 nan 8.190 nan 0.000 0.470 107 K N 0.180 120.513 120.400 -0.112 0.000 1.984 107 K HA -0.167 4.153 4.320 0.001 0.000 0.219 107 K C 2.437 178.978 176.600 -0.098 0.000 1.033 107 K CA 1.079 57.264 56.287 -0.169 0.000 0.983 107 K CB -0.240 32.088 32.500 -0.287 0.000 0.762 107 K HN 0.090 nan 8.250 nan 0.000 0.445 108 R N -0.399 120.030 120.500 -0.119 0.000 2.153 108 R HA -0.183 4.157 4.340 0.001 0.000 0.252 108 R C 1.771 178.009 176.300 -0.103 0.000 1.158 108 R CA 1.868 57.879 56.100 -0.148 0.000 0.975 108 R CB -0.702 29.435 30.300 -0.272 0.000 0.871 108 R HN 0.840 nan 8.270 nan 0.000 0.450 109 G N -1.038 107.728 108.800 -0.056 0.000 3.033 109 G HA2 -0.211 3.749 3.960 0.001 0.000 0.196 109 G HA3 -0.211 3.749 3.960 0.001 0.000 0.196 109 G C -0.029 174.894 174.900 0.039 0.000 1.078 109 G CA -0.215 44.888 45.100 0.006 0.000 0.805 109 G HN 0.138 nan 8.290 nan 0.000 0.472 110 I N 2.350 122.929 120.570 0.015 0.000 3.475 110 I HA 0.031 4.201 4.170 0.001 0.000 0.350 110 I C 1.739 177.897 176.117 0.069 0.000 1.223 110 I CA 1.892 63.232 61.300 0.066 0.000 1.517 110 I CB 0.590 38.600 38.000 0.017 0.000 1.308 110 I HN 0.377 nan 8.210 nan 0.000 0.465 111 T N 4.573 119.168 114.554 0.068 0.000 3.018 111 T HA 0.180 4.530 4.350 0.001 0.000 0.246 111 T C 0.745 175.435 174.700 -0.015 0.000 1.026 111 T CA 0.169 62.291 62.100 0.036 0.000 1.081 111 T CB 0.033 68.939 68.868 0.064 0.000 0.970 111 T HN 0.532 nan 8.240 nan 0.000 0.475 112 N N 2.103 120.811 118.700 0.014 0.000 2.408 112 N HA 0.464 5.205 4.740 0.001 0.000 0.280 112 N C -1.445 174.070 175.510 0.008 0.000 1.002 112 N CA -0.397 52.651 53.050 -0.004 0.000 0.907 112 N CB 2.165 40.656 38.487 0.007 0.000 1.161 112 N HN 0.270 nan 8.380 nan 0.000 0.488 113 L N 1.893 123.112 121.223 -0.007 0.000 2.346 113 L HA 0.527 4.867 4.340 0.001 0.000 0.276 113 L C -0.910 175.961 176.870 0.001 0.000 1.006 113 L CA -0.664 54.182 54.840 0.010 0.000 0.817 113 L CB 1.463 43.541 42.059 0.031 0.000 1.272 113 L HN 0.623 nan 8.230 nan 0.000 0.421 114 C N 5.925 125.218 119.300 -0.012 0.000 2.293 114 C HA 0.736 5.196 4.460 0.001 0.000 0.323 114 C C -0.551 174.405 174.990 -0.057 0.000 1.240 114 C CA -0.551 58.448 59.018 -0.030 0.000 1.497 114 C CB 0.048 27.767 27.740 -0.037 0.000 2.171 114 C HN 0.614 nan 8.230 nan 0.000 0.465 115 V N 8.448 128.327 119.914 -0.058 0.000 2.333 115 V HA 0.389 4.510 4.120 0.001 0.000 0.274 115 V C 0.188 176.214 176.094 -0.113 0.000 1.028 115 V CA -0.119 62.116 62.300 -0.109 0.000 0.851 115 V CB 1.012 32.797 31.823 -0.063 0.000 1.000 115 V HN 0.740 nan 8.190 nan 0.000 0.456 116 I N 5.061 125.545 120.570 -0.143 0.000 2.306 116 I HA 0.760 4.930 4.170 0.001 0.000 0.288 116 I C 0.773 176.807 176.117 -0.139 0.000 1.036 116 I CA 0.239 61.460 61.300 -0.131 0.000 1.221 116 I CB 1.149 39.078 38.000 -0.118 0.000 1.385 116 I HN 0.810 nan 8.210 nan 0.000 0.472 117 G N 3.741 112.469 108.800 -0.120 0.000 2.490 117 G HA2 0.528 4.489 3.960 0.001 0.000 0.308 117 G HA3 0.528 4.489 3.960 0.001 0.000 0.308 117 G C -0.793 174.068 174.900 -0.066 0.000 1.286 117 G CA -0.341 44.705 45.100 -0.091 0.000 0.825 117 G HN 0.645 nan 8.290 nan 0.000 0.479 118 G N -1.074 107.721 108.800 -0.008 0.000 2.557 118 G HA2 0.447 4.407 3.960 0.001 0.000 0.292 118 G HA3 0.447 4.407 3.960 0.001 0.000 0.292 118 G C 0.875 175.851 174.900 0.127 0.000 1.237 118 G CA 0.917 46.044 45.100 0.044 0.000 0.978 118 G HN 0.839 nan 8.290 nan 0.000 0.498 119 D N -0.413 120.133 120.400 0.244 0.000 2.205 119 D HA -0.189 4.451 4.640 0.001 0.000 0.190 119 D C 2.275 178.711 176.300 0.226 0.000 1.002 119 D CA 2.096 56.314 54.000 0.363 0.000 0.848 119 D CB -1.051 39.898 40.800 0.247 0.000 0.975 119 D HN 0.542 nan 8.370 nan 0.000 0.449 120 G N -0.200 108.690 108.800 0.149 0.000 2.599 120 G HA2 -0.387 3.573 3.960 0.001 0.000 0.219 120 G HA3 -0.387 3.573 3.960 0.001 0.000 0.219 120 G C 1.866 176.874 174.900 0.181 0.000 1.193 120 G CA 1.957 47.139 45.100 0.135 0.000 0.778 120 G HN 0.383 nan 8.290 nan 0.000 0.589 121 S N 0.417 116.223 115.700 0.177 0.000 2.389 121 S HA -0.141 4.329 4.470 0.001 0.000 0.231 121 S C 2.318 177.078 174.600 0.266 0.000 1.052 121 S CA 1.491 59.826 58.200 0.224 0.000 1.053 121 S CB -0.301 62.946 63.200 0.077 0.000 0.886 121 S HN 0.354 nan 8.310 nan 0.000 0.456 122 L N 0.136 121.485 121.223 0.210 0.000 2.131 122 L HA -0.043 4.297 4.340 0.001 0.000 0.206 122 L C 2.788 179.802 176.870 0.240 0.000 1.087 122 L CA 1.233 56.209 54.840 0.226 0.000 0.767 122 L CB -0.886 41.321 42.059 0.246 0.000 0.917 122 L HN 0.304 nan 8.230 nan 0.000 0.441 123 T N -0.325 114.358 114.554 0.214 0.000 2.803 123 T HA -0.139 4.212 4.350 0.001 0.000 0.269 123 T C 1.599 176.394 174.700 0.157 0.000 1.052 123 T CA 1.563 63.755 62.100 0.153 0.000 1.136 123 T CB -0.207 68.721 68.868 0.101 0.000 0.864 123 T HN 0.521 nan 8.240 nan 0.000 0.467 124 G N -0.721 108.201 108.800 0.203 0.000 2.880 124 G HA2 0.364 4.325 3.960 0.001 0.000 0.209 124 G HA3 0.364 4.325 3.960 0.001 0.000 0.209 124 G C 1.585 176.675 174.900 0.315 0.000 1.157 124 G CA 0.664 45.888 45.100 0.208 0.000 0.779 124 G HN 0.569 nan 8.290 nan 0.000 0.539 125 A N 1.135 124.154 122.820 0.331 0.000 1.874 125 A HA 0.046 4.366 4.320 0.001 0.000 0.214 125 A C 1.983 179.761 177.584 0.324 0.000 1.189 125 A CA 1.875 54.135 52.037 0.371 0.000 0.615 125 A CB -0.365 18.804 19.000 0.281 0.000 0.830 125 A HN 0.298 nan 8.150 nan 0.000 0.443 126 D N -1.067 119.467 120.400 0.224 0.000 2.117 126 D HA -0.133 4.508 4.640 0.001 0.000 0.197 126 D C 1.874 178.257 176.300 0.140 0.000 0.987 126 D CA 1.848 55.943 54.000 0.159 0.000 0.829 126 D CB -0.202 40.670 40.800 0.120 0.000 0.961 126 D HN 0.296 nan 8.370 nan 0.000 0.460 127 T N -1.687 112.952 114.554 0.141 0.000 3.113 127 T HA -0.075 4.275 4.350 0.001 0.000 0.263 127 T C 1.137 175.910 174.700 0.121 0.000 1.143 127 T CA 0.446 62.601 62.100 0.092 0.000 1.090 127 T CB -0.524 68.377 68.868 0.055 0.000 0.922 127 T HN 0.204 nan 8.240 nan 0.000 0.521 128 F N 1.629 121.606 119.950 0.045 0.000 2.714 128 F HA 0.271 4.799 4.527 0.001 0.000 0.294 128 F C 1.845 177.740 175.800 0.158 0.000 1.120 128 F CA 0.007 58.047 58.000 0.067 0.000 1.398 128 F CB 0.132 39.231 39.000 0.165 0.000 1.120 128 F HN 0.144 nan 8.300 nan 0.000 0.589 129 R N -0.191 120.348 120.500 0.064 0.000 2.175 129 R HA 0.132 4.473 4.340 0.001 0.000 0.202 129 R C 1.864 178.174 176.300 0.018 0.000 1.018 129 R CA 1.223 57.323 56.100 0.001 0.000 1.029 129 R CB -1.563 28.770 30.300 0.055 0.000 0.959 129 R HN 0.142 nan 8.270 nan 0.000 0.480 130 S N -0.027 115.687 115.700 0.024 0.000 2.603 130 S HA 0.027 4.497 4.470 0.001 0.000 0.229 130 S C 1.209 175.804 174.600 -0.007 0.000 0.972 130 S CA 0.686 58.895 58.200 0.015 0.000 0.935 130 S CB -0.102 63.109 63.200 0.018 0.000 0.769 130 S HN 0.550 nan 8.310 nan 0.000 0.536 131 E N -0.863 119.314 120.200 -0.038 0.000 2.514 131 E HA 0.103 4.454 4.350 0.001 0.000 0.215 131 E C 1.138 177.676 176.600 -0.103 0.000 0.946 131 E CA -0.304 56.050 56.400 -0.076 0.000 1.038 131 E CB -0.061 29.580 29.700 -0.097 0.000 1.069 131 E HN 0.674 nan 8.360 nan 0.000 0.503 132 W N 2.140 123.260 121.300 -0.301 0.000 2.425 132 W HA -0.115 4.545 4.660 0.001 0.000 0.277 132 W C 1.719 178.150 176.519 -0.147 0.000 1.231 132 W CA 1.897 59.068 57.345 -0.291 0.000 1.248 132 W CB 0.163 29.421 29.460 -0.336 0.000 1.117 132 W HN 0.028 nan 8.180 nan 0.000 0.568 133 S N -0.537 115.201 115.700 0.062 0.000 2.555 133 S HA -0.110 4.361 4.470 0.001 0.000 0.230 133 S C 0.622 175.177 174.600 -0.075 0.000 0.978 133 S CA 1.307 59.518 58.200 0.018 0.000 0.934 133 S CB -0.178 63.048 63.200 0.043 0.000 0.766 133 S HN 0.118 nan 8.310 nan 0.000 0.533 134 D N 0.114 120.441 120.400 -0.121 0.000 2.502 134 D HA 0.312 4.952 4.640 0.001 0.000 0.232 134 D C 1.295 177.491 176.300 -0.174 0.000 1.137 134 D CA -0.008 53.919 54.000 -0.122 0.000 0.827 134 D CB -0.040 40.711 40.800 -0.082 0.000 1.141 134 D HN 0.307 nan 8.370 nan 0.000 0.517 135 L N 0.384 121.451 121.223 -0.260 0.000 2.418 135 L HA 0.095 4.436 4.340 0.001 0.000 0.218 135 L C 1.752 178.395 176.870 -0.377 0.000 1.125 135 L CA 0.399 55.063 54.840 -0.293 0.000 0.835 135 L CB 0.255 42.125 42.059 -0.316 0.000 0.953 135 L HN 0.017 nan 8.230 nan 0.000 0.454 136 L N -1.193 119.735 121.223 -0.492 0.000 2.492 136 L HA -0.003 4.337 4.340 0.001 0.000 0.223 136 L C 2.373 179.104 176.870 -0.232 0.000 1.132 136 L CA 0.938 55.512 54.840 -0.444 0.000 0.850 136 L CB -0.436 41.314 42.059 -0.514 0.000 0.966 136 L HN 0.200 nan 8.230 nan 0.000 0.454 137 S N -0.212 115.374 115.700 -0.191 0.000 2.406 137 S HA -0.098 4.373 4.470 0.001 0.000 0.224 137 S C 1.062 175.602 174.600 -0.100 0.000 1.030 137 S CA 0.712 58.840 58.200 -0.119 0.000 0.958 137 S CB 0.140 63.281 63.200 -0.099 0.000 0.811 137 S HN 0.371 nan 8.310 nan 0.000 0.489 138 D N 0.843 121.174 120.400 -0.113 0.000 2.325 138 D HA 0.200 4.840 4.640 0.001 0.000 0.234 138 D C 0.799 177.049 176.300 -0.084 0.000 1.122 138 D CA 0.183 54.130 54.000 -0.088 0.000 0.850 138 D CB 0.153 40.902 40.800 -0.085 0.000 0.921 138 D HN 0.354 nan 8.370 nan 0.000 0.513 139 L N -0.035 121.131 121.223 -0.094 0.000 2.607 139 L HA 0.152 4.492 4.340 0.001 0.000 0.228 139 L C 0.449 177.291 176.870 -0.046 0.000 1.123 139 L CA 0.164 54.962 54.840 -0.070 0.000 0.890 139 L CB 0.300 42.306 42.059 -0.088 0.000 1.103 139 L HN -0.161 nan 8.230 nan 0.000 0.468 140 Q N 1.282 121.053 119.800 -0.049 0.000 3.181 140 Q HA 0.225 4.565 4.340 0.001 0.000 0.293 140 Q C -0.337 175.644 176.000 -0.031 0.000 1.406 140 Q CA 0.262 56.044 55.803 -0.035 0.000 1.026 140 Q CB 0.214 28.931 28.738 -0.036 0.000 1.630 140 Q HN 0.333 nan 8.270 nan 0.000 0.553 141 K N -1.124 119.259 120.400 -0.029 0.000 1.679 141 K HA 0.524 4.844 4.320 0.001 0.000 0.300 141 K C -0.642 175.943 176.600 -0.025 0.000 0.874 141 K CA -0.328 55.941 56.287 -0.029 0.000 0.404 141 K CB -0.047 32.431 32.500 -0.037 0.000 3.194 141 K HN 0.020 nan 8.250 nan 0.000 1.138 142 A N 1.661 124.459 122.820 -0.037 0.000 3.168 142 A HA 0.475 4.795 4.320 0.001 0.000 0.260 142 A C 0.270 177.824 177.584 -0.050 0.000 1.598 142 A CA 0.361 52.374 52.037 -0.039 0.000 1.285 142 A CB -0.906 18.064 19.000 -0.051 0.000 1.149 142 A HN 0.553 nan 8.150 nan 0.000 0.630 143 G N -0.015 108.782 108.800 -0.005 0.000 3.392 143 G HA2 0.472 4.432 3.960 0.001 0.000 0.188 143 G HA3 0.472 4.432 3.960 0.001 0.000 0.188 143 G C -0.113 174.876 174.900 0.148 0.000 1.485 143 G CA -0.323 44.816 45.100 0.064 0.000 0.943 143 G HN 0.311 nan 8.290 nan 0.000 0.627 144 K N -0.358 120.127 120.400 0.141 0.000 2.295 144 K HA 0.387 4.707 4.320 0.001 0.000 0.239 144 K C -0.416 176.211 176.600 0.044 0.000 0.991 144 K CA -1.036 55.307 56.287 0.094 0.000 0.845 144 K CB 2.493 35.029 32.500 0.059 0.000 1.197 144 K HN 0.437 nan 8.250 nan 0.000 0.441 145 I N 1.647 122.235 120.570 0.030 0.000 2.943 145 I HA -0.174 3.996 4.170 0.001 0.000 0.296 145 I C 0.998 177.123 176.117 0.014 0.000 1.220 145 I CA 0.936 62.247 61.300 0.018 0.000 1.409 145 I CB 0.536 38.544 38.000 0.013 0.000 1.374 145 I HN 0.583 nan 8.210 nan 0.000 0.545 146 T N 5.998 120.558 114.554 0.010 0.000 3.541 146 T HA 0.097 4.448 4.350 0.001 0.000 0.255 146 T C 1.250 175.953 174.700 0.005 0.000 1.158 146 T CA 0.990 63.094 62.100 0.006 0.000 1.000 146 T CB -0.378 68.491 68.868 0.001 0.000 1.008 146 T HN 0.795 nan 8.240 nan 0.000 0.568 147 A N -0.075 122.749 122.820 0.006 0.000 2.220 147 A HA 0.293 4.613 4.320 0.001 0.000 0.211 147 A C 1.950 179.535 177.584 0.002 0.000 1.176 147 A CA 0.250 52.289 52.037 0.003 0.000 0.834 147 A CB 0.171 19.172 19.000 0.003 0.000 0.868 147 A HN 0.638 nan 8.150 nan 0.000 0.488 148 E N -0.488 119.716 120.200 0.007 0.000 2.364 148 E HA -0.039 4.312 4.350 0.001 0.000 0.203 148 E C 1.108 177.721 176.600 0.023 0.000 0.888 148 E CA 0.640 57.046 56.400 0.010 0.000 0.989 148 E CB 0.111 29.816 29.700 0.008 0.000 0.985 148 E HN 0.713 nan 8.360 nan 0.000 0.499 149 E N 0.846 121.060 120.200 0.023 0.000 2.403 149 E HA 0.129 4.479 4.350 0.001 0.000 0.187 149 E C 1.069 177.688 176.600 0.031 0.000 1.073 149 E CA 0.499 56.918 56.400 0.032 0.000 0.888 149 E CB 0.485 30.191 29.700 0.010 0.000 1.035 149 E HN 0.166 nan 8.360 nan 0.000 0.471 150 A N 0.321 123.155 122.820 0.023 0.000 1.993 150 A HA 0.055 4.375 4.320 0.001 0.000 0.207 150 A C 2.220 179.809 177.584 0.007 0.000 1.224 150 A CA 0.967 53.015 52.037 0.019 0.000 0.749 150 A CB -0.454 18.550 19.000 0.006 0.000 0.884 150 A HN 0.381 nan 8.150 nan 0.000 0.467 151 T N -2.303 112.239 114.554 -0.020 0.000 2.837 151 T HA 0.069 4.419 4.350 0.001 0.000 0.242 151 T C 0.987 175.644 174.700 -0.072 0.000 1.044 151 T CA 0.165 62.206 62.100 -0.097 0.000 1.202 151 T CB -0.345 68.469 68.868 -0.090 0.000 0.905 151 T HN 0.093 nan 8.240 nan 0.000 0.413 152 R N 3.193 123.701 120.500 0.013 0.000 4.559 152 R HA 0.352 4.692 4.340 0.001 0.000 0.177 152 R C 0.805 177.249 176.300 0.241 0.000 1.875 152 R CA 0.104 56.268 56.100 0.106 0.000 1.509 152 R CB -1.161 29.198 30.300 0.098 0.000 1.395 152 R HN 0.780 nan 8.270 nan 0.000 0.830 153 S N -1.691 114.185 115.700 0.293 0.000 4.167 153 S HA 0.048 4.519 4.470 0.001 0.000 0.194 153 S C 1.520 176.519 174.600 0.664 0.000 1.053 153 S CA 0.131 58.565 58.200 0.391 0.000 1.663 153 S CB -0.031 63.290 63.200 0.200 0.000 0.938 153 S HN 0.185 nan 8.310 nan 0.000 0.804 154 S N 0.112 116.119 115.700 0.512 0.000 2.448 154 S HA -0.137 4.333 4.470 0.001 0.000 0.247 154 S C -0.094 174.738 174.600 0.386 0.000 1.033 154 S CA 1.051 59.538 58.200 0.478 0.000 1.003 154 S CB -0.992 62.362 63.200 0.257 0.000 0.786 154 S HN 0.509 nan 8.310 nan 0.000 0.495 155 Y N 1.311 121.728 120.300 0.195 0.000 2.620 155 Y HA 0.502 5.053 4.550 0.001 0.000 0.352 155 Y C -0.181 175.689 175.900 -0.050 0.000 1.140 155 Y CA -0.645 57.493 58.100 0.064 0.000 1.529 155 Y CB 0.025 38.520 38.460 0.058 0.000 1.321 155 Y HN 0.153 nan 8.280 nan 0.000 0.501 156 L N 4.521 125.655 121.223 -0.149 0.000 2.529 156 L HA 0.485 4.825 4.340 0.001 0.000 0.260 156 L C -1.369 175.336 176.870 -0.276 0.000 0.997 156 L CA -0.378 54.203 54.840 -0.432 0.000 0.885 156 L CB 0.560 41.841 42.059 -1.296 0.000 1.185 156 L HN 0.358 nan 8.230 nan 0.000 0.442 157 N N 6.058 124.673 118.700 -0.142 0.000 2.426 157 N HA 0.505 5.246 4.740 0.001 0.000 0.275 157 N C -0.775 174.697 175.510 -0.064 0.000 1.019 157 N CA -0.267 52.732 53.050 -0.085 0.000 0.941 157 N CB 2.112 40.575 38.487 -0.040 0.000 1.123 157 N HN 0.585 nan 8.380 nan 0.000 0.486 158 I N -0.452 120.095 120.570 -0.037 0.000 2.646 158 I HA 0.602 4.772 4.170 0.001 0.000 0.299 158 I C -0.808 175.314 176.117 0.008 0.000 1.036 158 I CA -0.991 60.310 61.300 0.001 0.000 1.074 158 I CB 1.215 39.249 38.000 0.056 0.000 1.258 158 I HN -0.005 nan 8.210 nan 0.000 0.430 159 V N 4.071 123.988 119.914 0.005 0.000 2.588 159 V HA 0.778 4.899 4.120 0.001 0.000 0.304 159 V C 0.475 176.563 176.094 -0.010 0.000 1.042 159 V CA -0.447 61.851 62.300 -0.003 0.000 0.877 159 V CB 1.745 33.559 31.823 -0.016 0.000 0.996 159 V HN 1.068 nan 8.190 nan 0.000 0.425 160 G N 3.650 112.443 108.800 -0.013 0.000 2.368 160 G HA2 0.642 4.602 3.960 0.001 0.000 0.320 160 G HA3 0.642 4.602 3.960 0.001 0.000 0.320 160 G C -1.184 173.660 174.900 -0.093 0.000 1.158 160 G CA -0.435 44.642 45.100 -0.039 0.000 0.912 160 G HN 0.649 nan 8.290 nan 0.000 0.456 161 L N 3.444 124.600 121.223 -0.112 0.000 2.305 161 L HA 0.474 4.815 4.340 0.001 0.000 0.284 161 L C -0.281 176.481 176.870 -0.180 0.000 1.013 161 L CA -0.907 53.853 54.840 -0.133 0.000 0.819 161 L CB 1.830 43.827 42.059 -0.104 0.000 1.227 161 L HN 0.255 nan 8.230 nan 0.000 0.417 162 V N 4.567 124.337 119.914 -0.240 0.000 2.370 162 V HA 0.336 4.456 4.120 0.001 0.000 0.257 162 V C 0.860 176.851 176.094 -0.170 0.000 1.064 162 V CA -0.306 61.826 62.300 -0.281 0.000 0.975 162 V CB 0.459 32.001 31.823 -0.469 0.000 1.067 162 V HN 0.869 nan 8.190 nan 0.000 0.485 163 G N 3.081 111.804 108.800 -0.128 0.000 2.377 163 G HA2 0.536 4.496 3.960 0.001 0.000 0.316 163 G HA3 0.536 4.496 3.960 0.001 0.000 0.316 163 G C -0.334 174.536 174.900 -0.050 0.000 1.115 163 G CA -0.292 44.756 45.100 -0.087 0.000 0.952 163 G HN 0.766 nan 8.290 nan 0.000 0.441 164 S N 3.005 118.692 115.700 -0.023 0.000 2.584 164 S HA 0.112 4.583 4.470 0.001 0.000 0.282 164 S C 0.894 175.523 174.600 0.048 0.000 1.138 164 S CA -0.711 57.501 58.200 0.020 0.000 0.987 164 S CB 0.662 63.888 63.200 0.043 0.000 1.137 164 S HN 0.945 nan 8.310 nan 0.000 0.457 165 I N 1.965 122.566 120.570 0.052 0.000 3.083 165 I HA 0.072 4.242 4.170 0.001 0.000 0.273 165 I C 0.987 177.175 176.117 0.117 0.000 1.297 165 I CA 1.231 62.576 61.300 0.074 0.000 1.452 165 I CB -0.886 37.143 38.000 0.049 0.000 1.078 165 I HN 0.562 nan 8.210 nan 0.000 0.484 166 D N 1.917 122.389 120.400 0.121 0.000 2.084 166 D HA -0.208 4.432 4.640 0.001 0.000 0.196 166 D C 1.047 177.469 176.300 0.204 0.000 0.985 166 D CA 1.488 55.582 54.000 0.156 0.000 0.826 166 D CB -0.263 40.623 40.800 0.143 0.000 0.978 166 D HN 0.507 nan 8.370 nan 0.000 0.456 167 N N 0.249 119.039 118.700 0.149 0.000 2.815 167 N HA -0.158 4.583 4.740 0.001 0.000 0.249 167 N C -0.250 175.308 175.510 0.080 0.000 1.114 167 N CA 0.945 54.041 53.050 0.077 0.000 0.717 167 N CB -0.954 37.527 38.487 -0.010 0.000 1.074 167 N HN 0.218 nan 8.380 nan 0.000 0.555 168 D N -1.408 119.073 120.400 0.135 0.000 2.323 168 D HA 0.021 4.661 4.640 0.001 0.000 0.209 168 D C 0.507 176.870 176.300 0.104 0.000 0.973 168 D CA 0.159 54.229 54.000 0.116 0.000 0.874 168 D CB -0.271 40.602 40.800 0.122 0.000 0.930 168 D HN 0.462 nan 8.370 nan 0.000 0.521 169 F N 1.012 120.958 119.950 -0.005 0.000 2.456 169 F HA 0.272 4.799 4.527 0.001 0.000 0.358 169 F C -0.040 175.746 175.800 -0.024 0.000 1.095 169 F CA -0.838 57.155 58.000 -0.012 0.000 1.216 169 F CB 0.637 39.635 39.000 -0.003 0.000 1.125 169 F HN -0.077 nan 8.300 nan 0.000 0.549 170 C N 3.908 123.132 119.300 -0.128 0.000 2.365 170 C HA 0.670 5.130 4.460 0.001 0.000 0.351 170 C C 0.933 175.984 174.990 0.102 0.000 1.240 170 C CA 0.335 59.337 59.018 -0.027 0.000 2.062 170 C CB 0.464 28.126 27.740 -0.130 0.000 2.387 170 C HN 1.095 nan 8.230 nan 0.000 0.537 171 G N 1.979 110.855 108.800 0.127 0.000 2.154 171 G HA2 -0.051 3.909 3.960 0.001 0.000 0.186 171 G HA3 -0.051 3.909 3.960 0.001 0.000 0.186 171 G C -0.059 174.933 174.900 0.153 0.000 1.000 171 G CA 0.348 45.537 45.100 0.148 0.000 0.664 171 G HN 1.001 nan 8.290 nan 0.000 0.513 172 T N -0.607 114.031 114.554 0.139 0.000 2.982 172 T HA 0.514 4.865 4.350 0.001 0.000 0.321 172 T C 0.186 174.916 174.700 0.050 0.000 1.229 172 T CA 0.342 62.492 62.100 0.083 0.000 1.044 172 T CB 1.246 70.153 68.868 0.065 0.000 1.184 172 T HN -0.042 nan 8.240 nan 0.000 0.477 173 D N 2.731 123.150 120.400 0.031 0.000 2.271 173 D HA 0.137 4.778 4.640 0.001 0.000 0.206 173 D C 0.397 176.688 176.300 -0.015 0.000 0.967 173 D CA 0.489 54.492 54.000 0.005 0.000 0.867 173 D CB 0.327 41.136 40.800 0.015 0.000 0.960 173 D HN 0.307 nan 8.370 nan 0.000 0.509 174 M N 0.799 120.419 119.600 0.033 0.000 2.322 174 M HA 0.198 4.679 4.480 0.001 0.000 0.286 174 M C -0.905 175.436 176.300 0.068 0.000 1.111 174 M CA -0.473 54.871 55.300 0.074 0.000 0.941 174 M CB 2.252 34.974 32.600 0.204 0.000 1.671 174 M HN -0.208 nan 8.290 nan 0.000 0.470 175 T N 0.242 114.830 114.554 0.055 0.000 2.929 175 T HA 0.761 5.111 4.350 0.001 0.000 0.284 175 T C 0.429 175.142 174.700 0.022 0.000 1.014 175 T CA -0.772 61.336 62.100 0.012 0.000 1.051 175 T CB 1.231 70.104 68.868 0.008 0.000 1.028 175 T HN 0.554 nan 8.240 nan 0.000 0.485 176 I N 2.417 122.961 120.570 -0.043 0.000 2.752 176 I HA 0.309 4.479 4.170 0.001 0.000 0.289 176 I C 1.634 177.734 176.117 -0.029 0.000 1.197 176 I CA 1.312 62.569 61.300 -0.071 0.000 1.432 176 I CB -0.031 37.903 38.000 -0.111 0.000 1.359 176 I HN 1.146 nan 8.210 nan 0.000 0.571 177 G N 3.827 112.617 108.800 -0.018 0.000 2.308 177 G HA2 -0.357 3.604 3.960 0.001 0.000 0.221 177 G HA3 -0.357 3.604 3.960 0.001 0.000 0.221 177 G C 1.106 176.042 174.900 0.060 0.000 1.032 177 G CA 0.458 45.560 45.100 0.002 0.000 0.623 177 G HN 0.615 nan 8.290 nan 0.000 0.506 178 T N 0.023 114.641 114.554 0.107 0.000 2.946 178 T HA -0.052 4.299 4.350 0.001 0.000 0.271 178 T C 1.683 176.495 174.700 0.187 0.000 1.104 178 T CA 2.433 64.631 62.100 0.163 0.000 1.114 178 T CB -0.304 68.702 68.868 0.230 0.000 0.867 178 T HN 0.466 nan 8.240 nan 0.000 0.513 179 D N -0.040 120.477 120.400 0.196 0.000 2.149 179 D HA 0.019 4.660 4.640 0.001 0.000 0.206 179 D C 2.388 178.794 176.300 0.176 0.000 0.967 179 D CA 1.143 55.275 54.000 0.220 0.000 0.848 179 D CB -0.054 40.921 40.800 0.291 0.000 0.998 179 D HN 0.394 nan 8.370 nan 0.000 0.474 180 S N 0.327 116.059 115.700 0.053 0.000 2.353 180 S HA -0.184 4.286 4.470 0.001 0.000 0.222 180 S C 2.216 176.863 174.600 0.079 0.000 1.035 180 S CA 1.159 59.354 58.200 -0.008 0.000 1.025 180 S CB -0.770 62.397 63.200 -0.055 0.000 0.902 180 S HN 0.451 nan 8.310 nan 0.000 0.440 181 A N 1.749 124.605 122.820 0.060 0.000 1.896 181 A HA -0.177 4.143 4.320 0.001 0.000 0.220 181 A C 2.176 179.805 177.584 0.075 0.000 1.206 181 A CA 1.736 53.804 52.037 0.052 0.000 0.647 181 A CB -1.055 17.978 19.000 0.055 0.000 0.828 181 A HN 0.462 nan 8.150 nan 0.000 0.455 182 L N -2.034 119.255 121.223 0.109 0.000 2.131 182 L HA -0.208 4.132 4.340 0.001 0.000 0.210 182 L C 2.578 179.505 176.870 0.094 0.000 1.092 182 L CA 1.492 56.384 54.840 0.086 0.000 0.759 182 L CB -0.464 41.651 42.059 0.095 0.000 0.903 182 L HN 0.512 nan 8.230 nan 0.000 0.435 183 H N -0.758 118.320 119.070 0.013 0.000 2.299 183 H HA -0.078 4.478 4.556 0.001 0.000 0.302 183 H C 2.340 177.666 175.328 -0.005 0.000 1.078 183 H CA 1.207 57.259 56.048 0.008 0.000 1.323 183 H CB 0.084 29.852 29.762 0.011 0.000 1.381 183 H HN 0.002 nan 8.280 nan 0.000 0.498 184 R N 0.573 121.146 120.500 0.123 0.000 2.094 184 R HA -0.120 4.220 4.340 0.001 0.000 0.239 184 R C 2.352 178.663 176.300 0.019 0.000 1.137 184 R CA 1.209 57.338 56.100 0.048 0.000 0.943 184 R CB -1.129 29.184 30.300 0.022 0.000 0.850 184 R HN 0.414 nan 8.270 nan 0.000 0.433 185 I N 0.888 121.466 120.570 0.015 0.000 2.756 185 I HA -0.156 4.015 4.170 0.001 0.000 0.262 185 I C 0.924 177.029 176.117 -0.020 0.000 1.225 185 I CA 1.635 62.934 61.300 -0.002 0.000 1.472 185 I CB -0.483 37.515 38.000 -0.003 0.000 1.094 185 I HN 0.028 nan 8.210 nan 0.000 0.454 186 T N 1.316 115.850 114.554 -0.033 0.000 2.894 186 T HA -0.082 4.269 4.350 0.001 0.000 0.258 186 T C 1.576 176.243 174.700 -0.055 0.000 1.043 186 T CA 1.332 63.396 62.100 -0.060 0.000 1.141 186 T CB 0.028 68.833 68.868 -0.105 0.000 0.873 186 T HN 0.435 nan 8.240 nan 0.000 0.449 187 E N 0.901 121.075 120.200 -0.043 0.000 2.086 187 E HA -0.164 4.186 4.350 0.001 0.000 0.200 187 E C 2.002 178.582 176.600 -0.034 0.000 1.012 187 E CA 1.358 57.739 56.400 -0.032 0.000 0.812 187 E CB -0.354 29.341 29.700 -0.009 0.000 0.743 187 E HN 0.477 nan 8.360 nan 0.000 0.453 188 I N 0.492 121.046 120.570 -0.027 0.000 2.090 188 I HA -0.274 3.896 4.170 0.001 0.000 0.236 188 I C 2.335 178.415 176.117 -0.062 0.000 1.064 188 I CA 1.086 62.368 61.300 -0.031 0.000 1.324 188 I CB -0.395 37.598 38.000 -0.012 0.000 1.044 188 I HN 0.020 nan 8.210 nan 0.000 0.399 189 V N 0.264 120.138 119.914 -0.066 0.000 2.469 189 V HA -0.311 3.810 4.120 0.001 0.000 0.251 189 V C 2.240 178.270 176.094 -0.107 0.000 1.064 189 V CA 2.041 64.280 62.300 -0.101 0.000 1.066 189 V CB -0.944 30.836 31.823 -0.071 0.000 0.667 189 V HN 0.539 nan 8.190 nan 0.000 0.461 190 D N 0.694 121.048 120.400 -0.077 0.000 2.182 190 D HA -0.189 4.451 4.640 0.001 0.000 0.201 190 D C 2.016 178.272 176.300 -0.073 0.000 0.986 190 D CA 1.801 55.760 54.000 -0.068 0.000 0.847 190 D CB 0.255 41.021 40.800 -0.057 0.000 0.942 190 D HN 0.490 nan 8.370 nan 0.000 0.467 191 A N 0.694 123.467 122.820 -0.079 0.000 1.850 191 A HA -0.025 4.295 4.320 0.001 0.000 0.212 191 A C 2.145 179.657 177.584 -0.120 0.000 1.208 191 A CA 0.521 52.513 52.037 -0.075 0.000 0.609 191 A CB -0.478 18.491 19.000 -0.051 0.000 0.860 191 A HN 0.189 nan 8.150 nan 0.000 0.448 192 I N 0.594 121.047 120.570 -0.194 0.000 2.290 192 I HA -0.225 3.945 4.170 0.001 0.000 0.253 192 I C 2.484 178.386 176.117 -0.357 0.000 1.112 192 I CA 2.186 63.249 61.300 -0.396 0.000 1.377 192 I CB -1.947 35.625 38.000 -0.714 0.000 1.060 192 I HN 0.382 nan 8.210 nan 0.000 0.428 193 T N 0.271 114.688 114.554 -0.229 0.000 2.814 193 T HA -0.086 4.265 4.350 0.001 0.000 0.254 193 T C 1.718 176.368 174.700 -0.084 0.000 1.037 193 T CA 1.737 63.749 62.100 -0.147 0.000 1.143 193 T CB -0.341 68.465 68.868 -0.103 0.000 0.866 193 T HN 0.536 nan 8.240 nan 0.000 0.431 194 T N 0.629 115.141 114.554 -0.070 0.000 3.440 194 T HA 0.081 4.431 4.350 0.001 0.000 0.260 194 T C 0.064 174.743 174.700 -0.035 0.000 1.188 194 T CA 0.275 62.348 62.100 -0.046 0.000 1.020 194 T CB -0.833 68.010 68.868 -0.041 0.000 0.963 194 T HN 0.326 nan 8.240 nan 0.000 0.556 195 T N 0.953 115.485 114.554 -0.037 0.000 3.313 195 T HA 0.625 4.975 4.350 0.001 0.000 0.333 195 T C -0.096 174.612 174.700 0.013 0.000 0.904 195 T CA -0.419 61.674 62.100 -0.011 0.000 1.079 195 T CB 1.066 69.932 68.868 -0.003 0.000 1.017 195 T HN 0.275 nan 8.240 nan 0.000 0.471 196 A N 1.945 124.778 122.820 0.022 0.000 2.674 196 A HA 0.314 4.634 4.320 0.001 0.000 0.286 196 A C 1.516 179.121 177.584 0.036 0.000 0.980 196 A CA -0.326 51.743 52.037 0.054 0.000 1.028 196 A CB 0.233 19.262 19.000 0.048 0.000 1.199 196 A HN 0.491 nan 8.150 nan 0.000 0.499 197 Q N 0.728 120.542 119.800 0.024 0.000 2.508 197 Q HA -0.076 4.264 4.340 0.001 0.000 0.214 197 Q C 1.507 177.497 176.000 -0.016 0.000 0.979 197 Q CA 1.124 56.926 55.803 -0.002 0.000 0.911 197 Q CB -0.408 28.329 28.738 -0.002 0.000 0.969 197 Q HN 0.851 nan 8.270 nan 0.000 0.504 198 S N -0.341 115.378 115.700 0.032 0.000 2.502 198 S HA 0.036 4.507 4.470 0.001 0.000 0.251 198 S C 0.875 175.467 174.600 -0.013 0.000 1.254 198 S CA -0.193 58.042 58.200 0.058 0.000 0.989 198 S CB 0.098 63.402 63.200 0.174 0.000 1.015 198 S HN 0.234 nan 8.310 nan 0.000 0.529 199 H N 0.568 119.640 119.070 0.003 0.000 2.549 199 H HA 0.324 4.880 4.556 0.001 0.000 0.326 199 H C 0.636 175.935 175.328 -0.048 0.000 1.111 199 H CA 0.811 56.845 56.048 -0.024 0.000 1.555 199 H CB -0.370 29.374 29.762 -0.029 0.000 1.548 199 H HN 0.496 nan 8.280 nan 0.000 0.660 200 Q N 0.095 119.943 119.800 0.081 0.000 2.139 200 Q HA 0.279 4.620 4.340 0.001 0.000 0.301 200 Q C -0.763 175.212 176.000 -0.041 0.000 0.874 200 Q CA -0.142 55.619 55.803 -0.070 0.000 1.116 200 Q CB 0.763 29.309 28.738 -0.319 0.000 1.278 200 Q HN 0.159 nan 8.270 nan 0.000 0.426 201 R N 0.996 121.529 120.500 0.056 0.000 3.501 201 R HA -0.026 4.314 4.340 0.001 0.000 0.332 201 R C -0.432 175.900 176.300 0.054 0.000 0.776 201 R CA 0.509 56.614 56.100 0.010 0.000 1.007 201 R CB -0.577 29.767 30.300 0.074 0.000 0.929 201 R HN 0.132 nan 8.270 nan 0.000 0.372 202 T N 5.238 119.800 114.554 0.013 0.000 2.848 202 T HA 0.097 4.448 4.350 0.001 0.000 0.283 202 T C 0.066 174.793 174.700 0.046 0.000 0.919 202 T CA 0.075 62.248 62.100 0.123 0.000 1.071 202 T CB -0.234 68.753 68.868 0.199 0.000 0.912 202 T HN 0.155 nan 8.240 nan 0.000 0.570 203 F N 2.097 122.100 119.950 0.089 0.000 2.429 203 F HA 0.386 4.913 4.527 0.001 0.000 0.348 203 F C 0.563 176.423 175.800 0.099 0.000 1.109 203 F CA -0.875 57.175 58.000 0.083 0.000 1.232 203 F CB 0.789 39.829 39.000 0.068 0.000 1.157 203 F HN 0.120 nan 8.300 nan 0.000 0.564 204 V N 5.371 125.437 119.914 0.254 0.000 2.340 204 V HA 0.303 4.423 4.120 0.001 0.000 0.277 204 V C -0.254 175.952 176.094 0.186 0.000 1.017 204 V CA -0.634 61.789 62.300 0.205 0.000 0.820 204 V CB 0.882 32.797 31.823 0.154 0.000 1.028 204 V HN 0.522 nan 8.190 nan 0.000 0.436 205 L N 3.657 124.987 121.223 0.179 0.000 2.312 205 L HA 0.566 4.907 4.340 0.001 0.000 0.281 205 L C 0.356 177.291 176.870 0.109 0.000 1.070 205 L CA -0.089 54.832 54.840 0.134 0.000 0.805 205 L CB 1.419 43.543 42.059 0.109 0.000 1.174 205 L HN 0.579 nan 8.230 nan 0.000 0.434 206 E N 2.992 123.243 120.200 0.085 0.000 2.129 206 E HA 0.476 4.826 4.350 0.001 0.000 0.268 206 E C -1.238 175.393 176.600 0.051 0.000 0.900 206 E CA -0.638 55.801 56.400 0.065 0.000 0.755 206 E CB 1.724 31.456 29.700 0.053 0.000 1.117 206 E HN 0.421 nan 8.360 nan 0.000 0.410 207 V N 1.394 121.334 119.914 0.043 0.000 2.919 207 V HA 0.528 4.648 4.120 0.001 0.000 0.316 207 V C 0.444 176.559 176.094 0.035 0.000 1.077 207 V CA -1.135 61.186 62.300 0.034 0.000 0.977 207 V CB 1.584 33.419 31.823 0.020 0.000 1.039 207 V HN 0.807 nan 8.190 nan 0.000 0.441 208 M N 2.134 121.757 119.600 0.039 0.000 1.896 208 M HA 0.483 4.963 4.480 0.001 0.000 0.195 208 M C 0.763 177.098 176.300 0.059 0.000 1.281 208 M CA 2.461 57.791 55.300 0.050 0.000 0.880 208 M CB -0.053 32.579 32.600 0.054 0.000 1.181 208 M HN 1.992 nan 8.290 nan 0.000 0.349 209 G N 1.351 110.196 108.800 0.076 0.000 3.055 209 G HA2 -0.113 3.847 3.960 0.001 0.000 0.654 209 G HA3 -0.113 3.847 3.960 0.001 0.000 0.654 209 G C 0.214 175.158 174.900 0.074 0.000 1.134 209 G CA -0.136 45.022 45.100 0.097 0.000 1.049 209 G HN 0.827 nan 8.290 nan 0.000 0.458 210 R N 2.052 122.617 120.500 0.108 0.000 2.082 210 R HA -0.091 4.250 4.340 0.001 0.000 0.228 210 R C 1.225 177.463 176.300 -0.104 0.000 1.140 210 R CA 2.140 58.267 56.100 0.046 0.000 0.920 210 R CB -0.508 29.939 30.300 0.246 0.000 0.828 210 R HN 0.671 nan 8.270 nan 0.000 0.430 211 H N -1.324 117.768 119.070 0.037 0.000 2.672 211 H HA 0.318 4.875 4.556 0.001 0.000 0.277 211 H C -0.420 174.921 175.328 0.022 0.000 1.074 211 H CA -0.758 55.305 56.048 0.024 0.000 1.173 211 H CB 0.228 30.000 29.762 0.018 0.000 1.558 211 H HN 0.219 nan 8.280 nan 0.000 0.539 212 C N 1.139 120.532 119.300 0.156 0.000 2.319 212 C HA 0.643 5.103 4.460 0.001 0.000 0.323 212 C C 1.624 176.721 174.990 0.179 0.000 1.277 212 C CA -0.458 58.652 59.018 0.153 0.000 1.517 212 C CB -0.451 27.397 27.740 0.180 0.000 2.206 212 C HN 0.692 nan 8.230 nan 0.000 0.486 213 G N 3.415 112.344 108.800 0.215 0.000 3.440 213 G HA2 0.074 4.034 3.960 0.001 0.000 0.263 213 G HA3 0.074 4.034 3.960 0.001 0.000 0.263 213 G C 0.540 175.597 174.900 0.261 0.000 1.236 213 G CA 0.063 45.278 45.100 0.192 0.000 0.927 213 G HN 0.897 nan 8.290 nan 0.000 0.530 214 Y N 0.912 121.368 120.300 0.260 0.000 2.109 214 Y HA -0.017 4.534 4.550 0.001 0.000 0.281 214 Y C 2.274 178.190 175.900 0.026 0.000 1.113 214 Y CA 1.034 59.227 58.100 0.155 0.000 1.098 214 Y CB -0.328 38.268 38.460 0.228 0.000 0.996 214 Y HN 0.143 nan 8.280 nan 0.000 0.485 215 L N 0.651 121.879 121.223 0.008 0.000 2.456 215 L HA -0.165 4.176 4.340 0.001 0.000 0.225 215 L C 1.879 178.662 176.870 -0.144 0.000 1.142 215 L CA 1.855 56.636 54.840 -0.099 0.000 0.796 215 L CB -1.153 40.950 42.059 0.073 0.000 0.920 215 L HN 0.448 nan 8.230 nan 0.000 0.446 216 A N -1.915 120.827 122.820 -0.129 0.000 1.944 216 A HA 0.082 4.402 4.320 0.001 0.000 0.207 216 A C 1.940 179.398 177.584 -0.210 0.000 1.265 216 A CA 0.648 52.613 52.037 -0.120 0.000 0.712 216 A CB -0.645 18.323 19.000 -0.054 0.000 0.915 216 A HN 0.315 nan 8.150 nan 0.000 0.470 217 L N 0.515 121.580 121.223 -0.264 0.000 1.955 217 L HA -0.130 4.210 4.340 0.001 0.000 0.213 217 L C 2.306 178.958 176.870 -0.364 0.000 1.072 217 L CA 2.261 56.894 54.840 -0.345 0.000 0.755 217 L CB -0.879 40.942 42.059 -0.395 0.000 0.888 217 L HN 0.155 nan 8.230 nan 0.000 0.432 218 V N -0.217 119.424 119.914 -0.455 0.000 2.220 218 V HA -0.427 3.693 4.120 0.001 0.000 0.250 218 V C 2.787 178.732 176.094 -0.249 0.000 1.056 218 V CA 2.708 64.771 62.300 -0.394 0.000 1.016 218 V CB -1.272 30.183 31.823 -0.612 0.000 0.639 218 V HN 0.825 nan 8.190 nan 0.000 0.446 219 T N -1.449 112.965 114.554 -0.234 0.000 2.803 219 T HA -0.213 4.137 4.350 0.001 0.000 0.269 219 T C 1.816 176.448 174.700 -0.113 0.000 1.052 219 T CA 2.215 64.230 62.100 -0.141 0.000 1.136 219 T CB -0.360 68.443 68.868 -0.109 0.000 0.864 219 T HN 0.483 nan 8.240 nan 0.000 0.467 220 S N 0.404 116.000 115.700 -0.174 0.000 2.474 220 S HA 0.126 4.596 4.470 0.001 0.000 0.235 220 S C 1.598 176.205 174.600 0.012 0.000 0.997 220 S CA 0.764 58.859 58.200 -0.174 0.000 0.949 220 S CB -0.262 62.621 63.200 -0.527 0.000 0.766 220 S HN 0.469 nan 8.310 nan 0.000 0.517 221 L N 1.539 122.760 121.223 -0.004 0.000 2.298 221 L HA 0.178 4.519 4.340 0.001 0.000 0.209 221 L C 1.994 178.885 176.870 0.036 0.000 1.084 221 L CA 1.075 55.986 54.840 0.118 0.000 0.816 221 L CB -0.323 41.760 42.059 0.039 0.000 0.967 221 L HN 0.277 nan 8.230 nan 0.000 0.460 222 S N -2.827 112.862 115.700 -0.019 0.000 2.593 222 S HA -0.007 4.463 4.470 0.001 0.000 0.217 222 S C 1.142 175.731 174.600 -0.017 0.000 0.966 222 S CA 0.325 58.506 58.200 -0.032 0.000 0.914 222 S CB -0.767 62.398 63.200 -0.060 0.000 0.776 222 S HN 0.461 nan 8.310 nan 0.000 0.523 223 C N 0.380 119.684 119.300 0.007 0.000 3.785 223 C HA 0.661 5.121 4.460 0.001 0.000 0.312 223 C C 1.575 176.591 174.990 0.042 0.000 1.566 223 C CA -0.611 58.414 59.018 0.011 0.000 1.837 223 C CB -0.503 27.236 27.740 -0.001 0.000 2.826 223 C HN 0.700 nan 8.230 nan 0.000 0.667 224 G N 2.173 111.014 108.800 0.068 0.000 2.338 224 G HA2 0.008 3.968 3.960 0.001 0.000 0.296 224 G HA3 0.008 3.968 3.960 0.001 0.000 0.296 224 G C 0.214 175.190 174.900 0.126 0.000 1.040 224 G CA 0.477 45.625 45.100 0.078 0.000 1.004 224 G HN 1.132 nan 8.290 nan 0.000 0.509 225 A N -0.608 122.333 122.820 0.203 0.000 2.540 225 A HA 0.443 4.763 4.320 0.001 0.000 0.239 225 A C 1.187 178.926 177.584 0.259 0.000 1.061 225 A CA 1.037 53.198 52.037 0.207 0.000 0.758 225 A CB 0.236 19.334 19.000 0.164 0.000 0.991 225 A HN 0.475 nan 8.150 nan 0.000 0.502 226 D N 0.472 121.003 120.400 0.219 0.000 2.219 226 D HA 0.002 4.642 4.640 0.001 0.000 0.205 226 D C 0.144 176.651 176.300 0.344 0.000 0.970 226 D CA 1.544 55.680 54.000 0.227 0.000 0.851 226 D CB 0.261 41.180 40.800 0.199 0.000 0.943 226 D HN 0.589 nan 8.370 nan 0.000 0.488 227 W N -0.000 121.354 121.300 0.091 0.000 3.419 227 W HA 0.381 5.041 4.660 0.001 0.000 0.298 227 W C -2.133 174.315 176.519 -0.119 0.000 1.260 227 W CA -0.644 56.695 57.345 -0.009 0.000 1.199 227 W CB 0.668 30.048 29.460 -0.134 0.000 1.349 227 W HN -0.467 nan 8.180 nan 0.000 0.557 228 V N 3.496 123.033 119.914 -0.629 0.000 3.113 228 V HA 0.642 4.762 4.120 0.001 0.000 0.316 228 V C -1.199 174.514 176.094 -0.636 0.000 1.125 228 V CA -0.807 61.221 62.300 -0.454 0.000 1.026 228 V CB 2.481 34.038 31.823 -0.443 0.000 1.080 228 V HN 0.369 nan 8.190 nan 0.000 0.444 229 F N 2.674 122.562 119.950 -0.104 0.000 2.745 229 F HA 0.694 5.222 4.527 0.001 0.000 0.343 229 F C -0.342 175.365 175.800 -0.154 0.000 1.196 229 F CA -0.508 57.419 58.000 -0.121 0.000 1.021 229 F CB 1.554 40.509 39.000 -0.075 0.000 1.297 229 F HN 0.363 nan 8.300 nan 0.000 0.486 230 I N 1.482 122.020 120.570 -0.053 0.000 2.647 230 I HA 0.562 4.733 4.170 0.001 0.000 0.295 230 I C -2.488 173.527 176.117 -0.171 0.000 1.078 230 I CA -2.480 58.757 61.300 -0.105 0.000 1.048 230 I CB 2.040 39.954 38.000 -0.144 0.000 1.239 230 I HN 0.133 nan 8.210 nan 0.000 0.421 231 P HA -0.177 nan 4.420 nan 0.000 0.212 231 P C 0.939 178.106 177.300 -0.220 0.000 1.178 231 P CA 1.506 64.513 63.100 -0.154 0.000 0.915 231 P CB 0.115 31.776 31.700 -0.066 0.000 0.788 232 E N -2.103 117.997 120.200 -0.166 0.000 2.444 232 E HA -0.162 4.189 4.350 0.001 0.000 0.205 232 E C 0.320 176.760 176.600 -0.267 0.000 1.054 232 E CA 0.743 57.025 56.400 -0.196 0.000 0.873 232 E CB -0.762 28.744 29.700 -0.323 0.000 0.793 232 E HN 0.170 nan 8.360 nan 0.000 0.549 233 C N 0.254 119.301 119.300 -0.422 0.000 2.944 233 C HA 0.166 4.627 4.460 0.001 0.000 0.348 233 C C -2.686 172.013 174.990 -0.486 0.000 0.862 233 C CA -1.734 56.998 59.018 -0.476 0.000 1.131 233 C CB -0.164 27.256 27.740 -0.533 0.000 1.552 233 C HN 0.084 nan 8.230 nan 0.000 0.630 234 P HA 0.203 nan 4.420 nan 0.000 0.266 234 P C -2.327 174.876 177.300 -0.163 0.000 1.195 234 P CA -0.344 62.510 63.100 -0.409 0.000 0.768 234 P CB 0.164 31.527 31.700 -0.561 0.000 0.838 235 P HA -0.072 nan 4.420 nan 0.000 0.261 235 P C -0.401 177.035 177.300 0.228 0.000 1.165 235 P CA 0.597 63.782 63.100 0.143 0.000 0.759 235 P CB 0.223 31.934 31.700 0.018 0.000 0.772 236 D N 3.738 124.304 120.400 0.277 0.000 2.688 236 D HA 0.079 4.719 4.640 0.001 0.000 0.228 236 D C 0.085 176.550 176.300 0.276 0.000 1.116 236 D CA 0.587 54.733 54.000 0.244 0.000 1.023 236 D CB -0.749 40.169 40.800 0.198 0.000 1.100 236 D HN 0.336 nan 8.370 nan 0.000 0.487 237 D N 0.768 121.363 120.400 0.324 0.000 10.981 237 D HA -0.281 4.359 4.640 0.001 0.000 0.357 237 D C 0.709 177.162 176.300 0.256 0.000 3.119 237 D CA 0.626 54.790 54.000 0.273 0.000 2.642 237 D CB -0.110 40.791 40.800 0.169 0.000 1.160 237 D HN 0.573 nan 8.370 nan 0.000 0.934 238 N N 0.091 118.868 118.700 0.129 0.000 2.690 238 N HA -0.251 4.490 4.740 0.001 0.000 0.249 238 N C 1.531 177.107 175.510 0.109 0.000 1.125 238 N CA 1.330 54.404 53.050 0.039 0.000 0.794 238 N CB -0.659 37.859 38.487 0.053 0.000 1.152 238 N HN 0.666 nan 8.380 nan 0.000 0.571 239 W N -0.069 121.331 121.300 0.166 0.000 2.389 239 W HA -0.171 4.489 4.660 0.001 0.000 0.267 239 W C 0.886 177.427 176.519 0.038 0.000 1.219 239 W CA 1.051 58.533 57.345 0.228 0.000 1.189 239 W CB -0.401 29.279 29.460 0.368 0.000 1.129 239 W HN 0.207 nan 8.180 nan 0.000 0.581 240 E N 1.189 121.045 120.200 -0.573 0.000 2.060 240 E HA -0.165 4.185 4.350 0.001 0.000 0.189 240 E C 1.649 178.070 176.600 -0.299 0.000 0.974 240 E CA 1.768 57.727 56.400 -0.734 0.000 0.808 240 E CB -0.700 28.424 29.700 -0.959 0.000 0.768 240 E HN 0.162 nan 8.360 nan 0.000 0.453 241 D N -0.614 119.674 120.400 -0.186 0.000 2.178 241 D HA -0.195 4.445 4.640 0.001 0.000 0.202 241 D C 1.825 178.128 176.300 0.005 0.000 0.974 241 D CA 1.047 54.996 54.000 -0.086 0.000 0.841 241 D CB 0.083 40.853 40.800 -0.050 0.000 0.953 241 D HN 0.154 nan 8.370 nan 0.000 0.478 242 H N -0.216 118.823 119.070 -0.052 0.000 2.307 242 H HA -0.012 4.544 4.556 0.001 0.000 0.303 242 H C 1.901 177.162 175.328 -0.112 0.000 1.073 242 H CA 1.460 57.506 56.048 -0.003 0.000 1.338 242 H CB -0.806 29.040 29.762 0.141 0.000 1.389 242 H HN 0.197 nan 8.280 nan 0.000 0.503 243 L N 0.039 121.016 121.223 -0.411 0.000 2.189 243 L HA -0.182 4.158 4.340 0.001 0.000 0.214 243 L C 2.031 178.695 176.870 -0.343 0.000 1.097 243 L CA 1.687 56.094 54.840 -0.721 0.000 0.764 243 L CB -0.975 40.658 42.059 -0.711 0.000 0.900 243 L HN 0.478 nan 8.230 nan 0.000 0.436 244 C N -1.346 117.829 119.300 -0.207 0.000 2.564 244 C HA 0.045 4.506 4.460 0.001 0.000 0.281 244 C C 2.729 177.676 174.990 -0.072 0.000 1.314 244 C CA 0.473 59.415 59.018 -0.128 0.000 1.706 244 C CB -0.692 26.969 27.740 -0.132 0.000 2.109 244 C HN 0.614 nan 8.230 nan 0.000 0.502 245 R N 1.109 121.580 120.500 -0.048 0.000 2.185 245 R HA -0.152 4.188 4.340 0.001 0.000 0.247 245 R C 2.246 178.541 176.300 -0.009 0.000 1.159 245 R CA 1.434 57.533 56.100 -0.002 0.000 0.988 245 R CB -0.135 30.197 30.300 0.053 0.000 0.871 245 R HN 0.509 nan 8.270 nan 0.000 0.458 246 R N 0.399 120.860 120.500 -0.066 0.000 2.082 246 R HA -0.089 4.252 4.340 0.001 0.000 0.218 246 R C 2.397 178.698 176.300 0.002 0.000 1.171 246 R CA 1.345 57.411 56.100 -0.057 0.000 0.914 246 R CB -1.155 29.076 30.300 -0.115 0.000 0.806 246 R HN 0.237 nan 8.270 nan 0.000 0.453 247 L N 1.833 123.064 121.223 0.012 0.000 2.198 247 L HA -0.288 4.053 4.340 0.001 0.000 0.218 247 L C 2.504 179.458 176.870 0.141 0.000 1.084 247 L CA 1.961 56.859 54.840 0.097 0.000 0.779 247 L CB -0.533 41.599 42.059 0.123 0.000 0.890 247 L HN 0.389 nan 8.230 nan 0.000 0.439 248 S N -2.169 113.588 115.700 0.096 0.000 2.496 248 S HA -0.051 4.420 4.470 0.001 0.000 0.224 248 S C 1.555 176.194 174.600 0.065 0.000 0.996 248 S CA 0.460 58.722 58.200 0.104 0.000 0.927 248 S CB 0.044 63.280 63.200 0.060 0.000 0.774 248 S HN 0.520 nan 8.310 nan 0.000 0.524 249 E N 1.009 121.235 120.200 0.043 0.000 2.079 249 E HA -0.008 4.343 4.350 0.001 0.000 0.191 249 E C 2.156 178.774 176.600 0.031 0.000 0.961 249 E CA 0.946 57.362 56.400 0.027 0.000 0.823 249 E CB -0.455 29.251 29.700 0.010 0.000 0.789 249 E HN 0.457 nan 8.360 nan 0.000 0.459 250 T N 0.724 115.301 114.554 0.039 0.000 2.737 250 T HA -0.232 4.119 4.350 0.001 0.000 0.269 250 T C 1.955 176.677 174.700 0.037 0.000 1.040 250 T CA 1.825 63.953 62.100 0.047 0.000 1.142 250 T CB -0.047 68.859 68.868 0.063 0.000 0.861 250 T HN -0.072 nan 8.240 nan 0.000 0.456 251 R N 0.330 120.852 120.500 0.037 0.000 2.064 251 R HA -0.001 4.339 4.340 0.001 0.000 0.228 251 R C 2.632 178.936 176.300 0.006 0.000 1.144 251 R CA 2.239 58.339 56.100 0.000 0.000 0.932 251 R CB -1.329 28.985 30.300 0.024 0.000 0.833 251 R HN 0.326 nan 8.270 nan 0.000 0.429 252 T N 0.297 114.867 114.554 0.027 0.000 3.139 252 T HA -0.038 4.313 4.350 0.001 0.000 0.267 252 T C 1.357 176.069 174.700 0.019 0.000 1.164 252 T CA 0.628 62.742 62.100 0.023 0.000 1.075 252 T CB -0.284 68.601 68.868 0.028 0.000 0.904 252 T HN 0.028 nan 8.240 nan 0.000 0.540 253 R N 0.508 121.021 120.500 0.022 0.000 2.388 253 R HA 0.227 4.567 4.340 0.001 0.000 0.247 253 R C 0.991 177.308 176.300 0.029 0.000 0.931 253 R CA 0.481 56.598 56.100 0.027 0.000 1.082 253 R CB -0.497 29.823 30.300 0.034 0.000 1.135 253 R HN 0.483 nan 8.270 nan 0.000 0.525 254 G N 1.761 110.571 108.800 0.017 0.000 2.417 254 G HA2 -0.248 3.712 3.960 0.001 0.000 0.291 254 G HA3 -0.248 3.712 3.960 0.001 0.000 0.291 254 G C -0.383 174.527 174.900 0.016 0.000 1.094 254 G CA 0.528 45.636 45.100 0.012 0.000 1.146 254 G HN 0.373 nan 8.290 nan 0.000 0.519 255 S N -0.468 115.236 115.700 0.007 0.000 2.473 255 S HA 0.742 5.212 4.470 0.001 0.000 0.307 255 S C 1.202 175.802 174.600 -0.000 0.000 1.094 255 S CA -0.529 57.680 58.200 0.015 0.000 1.070 255 S CB 2.344 65.561 63.200 0.028 0.000 1.019 255 S HN 0.532 nan 8.310 nan 0.000 0.480 256 R N 1.250 121.759 120.500 0.017 0.000 2.072 256 R HA 0.194 4.534 4.340 0.001 0.000 0.221 256 R C 0.470 176.798 176.300 0.046 0.000 1.166 256 R CA 1.079 57.192 56.100 0.022 0.000 0.917 256 R CB -0.517 29.799 30.300 0.026 0.000 0.815 256 R HN 0.785 nan 8.270 nan 0.000 0.444 257 L N 0.412 121.680 121.223 0.076 0.000 2.325 257 L HA 0.566 4.906 4.340 0.001 0.000 0.281 257 L C -1.415 175.541 176.870 0.144 0.000 1.004 257 L CA -1.106 53.820 54.840 0.143 0.000 0.823 257 L CB 1.722 43.877 42.059 0.161 0.000 1.236 257 L HN -0.060 nan 8.230 nan 0.000 0.415 258 N N 5.093 123.900 118.700 0.180 0.000 2.434 258 N HA 0.519 5.259 4.740 0.001 0.000 0.272 258 N C -0.632 175.019 175.510 0.236 0.000 1.040 258 N CA -0.297 52.859 53.050 0.177 0.000 0.956 258 N CB 1.811 40.396 38.487 0.164 0.000 1.108 258 N HN 0.511 nan 8.380 nan 0.000 0.481 259 I N 2.683 123.370 120.570 0.195 0.000 2.460 259 I HA 0.471 4.642 4.170 0.001 0.000 0.298 259 I C 0.271 176.512 176.117 0.208 0.000 0.989 259 I CA -0.608 60.814 61.300 0.203 0.000 1.173 259 I CB 1.102 39.174 38.000 0.120 0.000 1.338 259 I HN 0.337 nan 8.210 nan 0.000 0.456 260 I N 5.996 126.700 120.570 0.223 0.000 2.468 260 I HA 0.350 4.521 4.170 0.001 0.000 0.285 260 I C -0.454 175.792 176.117 0.215 0.000 1.039 260 I CA -0.527 60.918 61.300 0.242 0.000 1.074 260 I CB 2.200 40.368 38.000 0.280 0.000 1.228 260 I HN 0.227 nan 8.210 nan 0.000 0.436 261 I N 6.759 127.425 120.570 0.159 0.000 2.396 261 I HA 0.333 4.503 4.170 0.001 0.000 0.292 261 I C -0.072 176.156 176.117 0.185 0.000 0.999 261 I CA -0.551 60.819 61.300 0.117 0.000 1.310 261 I CB 1.805 39.815 38.000 0.017 0.000 1.404 261 I HN 0.159 nan 8.210 nan 0.000 0.496 262 V N 5.969 125.995 119.914 0.187 0.000 2.376 262 V HA 0.413 4.533 4.120 0.001 0.000 0.287 262 V C 0.578 176.735 176.094 0.105 0.000 1.015 262 V CA -0.957 61.477 62.300 0.224 0.000 0.834 262 V CB 1.458 33.383 31.823 0.170 0.000 1.001 262 V HN 0.894 nan 8.190 nan 0.000 0.428 263 A N 3.665 126.537 122.820 0.087 0.000 2.561 263 A HA 0.152 4.472 4.320 0.001 0.000 0.234 263 A C 1.436 179.027 177.584 0.012 0.000 1.055 263 A CA 0.630 52.687 52.037 0.033 0.000 0.756 263 A CB 0.150 19.159 19.000 0.015 0.000 0.986 263 A HN 1.080 nan 8.150 nan 0.000 0.505 264 E N 2.677 122.882 120.200 0.008 0.000 2.077 264 E HA -0.106 4.245 4.350 0.001 0.000 0.193 264 E C 1.115 177.691 176.600 -0.040 0.000 0.989 264 E CA 1.140 57.536 56.400 -0.005 0.000 0.800 264 E CB -0.271 29.434 29.700 0.009 0.000 0.746 264 E HN 0.653 nan 8.360 nan 0.000 0.452 265 G N 1.100 109.864 108.800 -0.059 0.000 3.709 265 G HA2 0.450 4.410 3.960 0.001 0.000 0.272 265 G HA3 0.450 4.410 3.960 0.001 0.000 0.272 265 G C -0.054 174.780 174.900 -0.110 0.000 1.259 265 G CA -0.006 45.025 45.100 -0.115 0.000 1.512 265 G HN 0.421 nan 8.290 nan 0.000 0.625 266 A N 0.768 123.530 122.820 -0.097 0.000 2.322 266 A HA 0.815 5.136 4.320 0.001 0.000 0.269 266 A C 0.162 177.657 177.584 -0.149 0.000 1.094 266 A CA -0.466 51.499 52.037 -0.118 0.000 0.807 266 A CB 0.534 19.460 19.000 -0.124 0.000 1.047 266 A HN 0.967 nan 8.150 nan 0.000 0.487 267 I N -1.601 118.874 120.570 -0.159 0.000 3.195 267 I HA 0.624 4.794 4.170 0.001 0.000 0.313 267 I C -1.187 174.846 176.117 -0.139 0.000 1.237 267 I CA -1.111 60.113 61.300 -0.127 0.000 0.963 267 I CB 2.238 40.196 38.000 -0.070 0.000 1.278 267 I HN 0.678 nan 8.210 nan 0.000 0.460 268 D N 2.160 122.532 120.400 -0.046 0.000 2.506 268 D HA 0.235 4.875 4.640 0.001 0.000 0.272 268 D C 0.839 177.160 176.300 0.034 0.000 1.214 268 D CA -0.508 53.506 54.000 0.023 0.000 1.067 268 D CB 0.659 41.564 40.800 0.176 0.000 1.117 268 D HN 0.664 nan 8.370 nan 0.000 0.578 269 R N -0.586 119.983 120.500 0.115 0.000 2.241 269 R HA -0.024 4.317 4.340 0.001 0.000 0.224 269 R C 0.694 177.161 176.300 0.278 0.000 1.101 269 R CA 1.295 57.507 56.100 0.185 0.000 0.995 269 R CB -0.447 29.976 30.300 0.204 0.000 0.870 269 R HN 0.395 nan 8.270 nan 0.000 0.463 270 N N -1.673 117.148 118.700 0.201 0.000 2.322 270 N HA 0.158 4.898 4.740 0.001 0.000 0.181 270 N C 0.736 176.343 175.510 0.162 0.000 1.088 270 N CA 1.005 54.159 53.050 0.173 0.000 0.885 270 N CB 1.294 39.854 38.487 0.122 0.000 1.013 270 N HN 0.390 nan 8.380 nan 0.000 0.472 271 G N 0.464 109.360 108.800 0.160 0.000 2.336 271 G HA2 -0.206 3.755 3.960 0.001 0.000 0.194 271 G HA3 -0.206 3.755 3.960 0.001 0.000 0.194 271 G C -0.249 174.694 174.900 0.072 0.000 0.999 271 G CA -0.509 44.666 45.100 0.126 0.000 0.669 271 G HN 0.125 nan 8.290 nan 0.000 0.482 272 K N 3.180 123.621 120.400 0.070 0.000 2.307 272 K HA 0.374 4.695 4.320 0.001 0.000 0.285 272 K C -1.970 174.645 176.600 0.025 0.000 1.073 272 K CA -1.402 54.915 56.287 0.050 0.000 0.996 272 K CB 0.560 33.099 32.500 0.066 0.000 0.994 272 K HN 0.311 nan 8.250 nan 0.000 0.452 273 P HA -0.070 nan 4.420 nan 0.000 0.264 273 P C -0.263 176.996 177.300 -0.068 0.000 1.183 273 P CA 0.311 63.384 63.100 -0.045 0.000 0.763 273 P CB 0.615 32.290 31.700 -0.042 0.000 0.807 274 I N 2.183 122.657 120.570 -0.159 0.000 2.396 274 I HA 0.211 4.382 4.170 0.001 0.000 0.292 274 I C 1.227 177.206 176.117 -0.229 0.000 0.999 274 I CA -0.091 61.055 61.300 -0.258 0.000 1.310 274 I CB 1.387 38.985 38.000 -0.670 0.000 1.404 274 I HN 0.332 nan 8.210 nan 0.000 0.496 275 T N 2.840 117.303 114.554 -0.152 0.000 2.918 275 T HA 0.280 4.631 4.350 0.001 0.000 0.286 275 T C 1.118 175.774 174.700 -0.073 0.000 1.026 275 T CA -0.439 61.604 62.100 -0.094 0.000 1.031 275 T CB 1.544 70.387 68.868 -0.041 0.000 1.046 275 T HN 0.627 nan 8.240 nan 0.000 0.479 276 S N 2.770 118.451 115.700 -0.032 0.000 2.365 276 S HA -0.137 4.333 4.470 0.001 0.000 0.221 276 S C 1.939 176.554 174.600 0.026 0.000 1.037 276 S CA 1.264 59.474 58.200 0.016 0.000 1.060 276 S CB -0.398 62.822 63.200 0.033 0.000 0.974 276 S HN 0.813 nan 8.310 nan 0.000 0.427 277 E N 1.052 121.261 120.200 0.016 0.000 2.049 277 E HA -0.142 4.208 4.350 0.001 0.000 0.198 277 E C 2.421 179.031 176.600 0.015 0.000 1.007 277 E CA 1.289 57.698 56.400 0.015 0.000 0.809 277 E CB -1.136 28.568 29.700 0.007 0.000 0.749 277 E HN 0.575 nan 8.360 nan 0.000 0.450 278 G N 1.246 110.051 108.800 0.009 0.000 2.545 278 G HA2 -0.287 3.674 3.960 0.001 0.000 0.222 278 G HA3 -0.287 3.674 3.960 0.001 0.000 0.222 278 G C 1.801 176.732 174.900 0.051 0.000 1.126 278 G CA 1.617 46.729 45.100 0.019 0.000 0.754 278 G HN 0.244 nan 8.290 nan 0.000 0.583 279 V N 0.699 120.654 119.914 0.069 0.000 2.446 279 V HA -0.002 4.118 4.120 0.001 0.000 0.244 279 V C 2.457 178.601 176.094 0.083 0.000 1.039 279 V CA 1.743 64.126 62.300 0.139 0.000 1.045 279 V CB -0.487 31.456 31.823 0.200 0.000 0.681 279 V HN 0.441 nan 8.190 nan 0.000 0.459 280 K N 0.061 120.497 120.400 0.059 0.000 2.374 280 K HA -0.279 4.041 4.320 0.001 0.000 0.202 280 K C 1.368 177.970 176.600 0.003 0.000 1.044 280 K CA 1.999 58.304 56.287 0.030 0.000 0.933 280 K CB -0.082 32.429 32.500 0.018 0.000 0.745 280 K HN 0.570 nan 8.250 nan 0.000 0.474 281 D N 0.203 120.603 120.400 -0.000 0.000 2.628 281 D HA -0.104 4.536 4.640 0.001 0.000 0.258 281 D C 1.785 178.056 176.300 -0.049 0.000 1.165 281 D CA 0.533 54.517 54.000 -0.026 0.000 0.991 281 D CB -0.714 40.071 40.800 -0.024 0.000 1.104 281 D HN 0.109 nan 8.370 nan 0.000 0.438 282 L N 2.029 123.223 121.223 -0.048 0.000 2.186 282 L HA -0.266 4.074 4.340 0.001 0.000 0.221 282 L C 2.246 179.047 176.870 -0.114 0.000 1.087 282 L CA 2.029 56.814 54.840 -0.092 0.000 0.794 282 L CB -1.028 40.966 42.059 -0.109 0.000 0.893 282 L HN 0.106 nan 8.230 nan 0.000 0.442 283 V N -3.921 115.943 119.914 -0.085 0.000 2.261 283 V HA -0.213 3.907 4.120 0.001 0.000 0.246 283 V C 2.247 178.218 176.094 -0.206 0.000 1.047 283 V CA 1.866 64.087 62.300 -0.131 0.000 1.015 283 V CB -1.473 30.319 31.823 -0.051 0.000 0.642 283 V HN 0.286 nan 8.190 nan 0.000 0.446 284 V N 0.786 120.618 119.914 -0.137 0.000 2.237 284 V HA -0.225 3.896 4.120 0.001 0.000 0.245 284 V C 2.935 178.943 176.094 -0.144 0.000 1.046 284 V CA 2.611 64.829 62.300 -0.136 0.000 1.007 284 V CB -0.966 30.810 31.823 -0.079 0.000 0.638 284 V HN 0.488 nan 8.190 nan 0.000 0.445 285 R N -0.111 120.321 120.500 -0.115 0.000 2.154 285 R HA -0.252 4.088 4.340 0.001 0.000 0.236 285 R C 2.527 178.750 176.300 -0.127 0.000 1.121 285 R CA 2.360 58.396 56.100 -0.106 0.000 0.915 285 R CB -0.491 29.753 30.300 -0.095 0.000 0.856 285 R HN 0.340 nan 8.270 nan 0.000 0.431 286 R N -0.123 120.287 120.500 -0.151 0.000 2.276 286 R HA 0.017 4.357 4.340 0.001 0.000 0.203 286 R C 1.271 177.452 176.300 -0.199 0.000 1.017 286 R CA 0.600 56.606 56.100 -0.157 0.000 1.010 286 R CB 0.361 30.567 30.300 -0.157 0.000 0.900 286 R HN 0.182 nan 8.270 nan 0.000 0.469 287 L N -2.252 118.793 121.223 -0.297 0.000 2.688 287 L HA 0.304 4.644 4.340 0.001 0.000 0.216 287 L C 0.553 177.113 176.870 -0.517 0.000 1.036 287 L CA 1.238 55.787 54.840 -0.485 0.000 0.906 287 L CB -0.313 41.248 42.059 -0.831 0.000 1.501 287 L HN 0.288 nan 8.230 nan 0.000 0.489 288 G N 1.023 109.550 108.800 -0.455 0.000 2.738 288 G HA2 -0.266 3.694 3.960 0.001 0.000 0.262 288 G HA3 -0.266 3.694 3.960 0.001 0.000 0.262 288 G C -0.725 174.148 174.900 -0.045 0.000 1.032 288 G CA -0.187 44.779 45.100 -0.222 0.000 1.278 288 G HN 0.282 nan 8.290 nan 0.000 0.537 289 Y N -0.328 119.943 120.300 -0.048 0.000 2.536 289 Y HA 0.323 4.874 4.550 0.001 0.000 0.347 289 Y C 1.030 176.879 175.900 -0.083 0.000 1.000 289 Y CA -1.477 56.591 58.100 -0.054 0.000 1.051 289 Y CB 1.623 40.065 38.460 -0.030 0.000 1.259 289 Y HN 0.265 nan 8.280 nan 0.000 0.468 290 D N 0.574 121.006 120.400 0.053 0.000 2.429 290 D HA -0.085 4.555 4.640 0.001 0.000 0.230 290 D C 0.244 176.484 176.300 -0.101 0.000 1.005 290 D CA 0.834 54.800 54.000 -0.056 0.000 0.963 290 D CB -0.528 40.210 40.800 -0.103 0.000 0.872 290 D HN 0.577 nan 8.370 nan 0.000 0.524 291 T N 2.817 117.339 114.554 -0.054 0.000 2.463 291 T HA -0.201 4.149 4.350 0.001 0.000 0.246 291 T C 1.042 175.646 174.700 -0.160 0.000 1.237 291 T CA 0.377 62.422 62.100 -0.092 0.000 3.935 291 T CB -0.283 68.577 68.868 -0.013 0.000 0.551 291 T HN 0.115 nan 8.240 nan 0.000 0.198 292 R N 0.955 121.256 120.500 -0.333 0.000 2.896 292 R HA 0.623 4.964 4.340 0.001 0.000 0.258 292 R C 0.365 176.595 176.300 -0.116 0.000 1.240 292 R CA -0.701 55.248 56.100 -0.251 0.000 1.109 292 R CB 0.123 30.201 30.300 -0.370 0.000 1.081 292 R HN 0.325 nan 8.270 nan 0.000 0.562 293 V N 0.016 119.917 119.914 -0.022 0.000 2.823 293 V HA 0.219 4.339 4.120 0.001 0.000 0.296 293 V C -0.840 175.305 176.094 0.086 0.000 1.250 293 V CA -0.567 61.764 62.300 0.052 0.000 0.939 293 V CB 2.402 34.247 31.823 0.036 0.000 1.062 293 V HN 0.803 nan 8.190 nan 0.000 0.433 294 T N 3.535 118.162 114.554 0.122 0.000 2.924 294 T HA 0.708 5.059 4.350 0.001 0.000 0.291 294 T C -0.806 173.946 174.700 0.087 0.000 1.045 294 T CA -0.621 61.545 62.100 0.109 0.000 1.015 294 T CB 2.252 71.201 68.868 0.135 0.000 1.103 294 T HN 0.346 nan 8.240 nan 0.000 0.496 295 V N 3.452 123.408 119.914 0.070 0.000 2.465 295 V HA 0.130 4.250 4.120 0.001 0.000 0.263 295 V C 0.773 176.902 176.094 0.058 0.000 0.981 295 V CA -0.405 61.931 62.300 0.060 0.000 0.838 295 V CB 0.576 32.429 31.823 0.051 0.000 1.068 295 V HN 0.733 nan 8.190 nan 0.000 0.458 296 L N 3.189 124.446 121.223 0.056 0.000 2.123 296 L HA -0.127 4.213 4.340 0.001 0.000 0.217 296 L C 2.040 178.941 176.870 0.052 0.000 1.081 296 L CA 2.612 57.480 54.840 0.047 0.000 0.772 296 L CB -1.274 40.806 42.059 0.035 0.000 0.890 296 L HN 0.854 nan 8.230 nan 0.000 0.437 297 G N -1.218 107.616 108.800 0.056 0.000 2.591 297 G HA2 -0.519 3.441 3.960 0.001 0.000 0.298 297 G HA3 -0.519 3.441 3.960 0.001 0.000 0.298 297 G C 0.864 175.819 174.900 0.092 0.000 1.195 297 G CA 0.890 46.036 45.100 0.076 0.000 0.989 297 G HN 0.487 nan 8.290 nan 0.000 0.551 298 H N 1.366 120.450 119.070 0.023 0.000 2.546 298 H HA 0.207 4.764 4.556 0.001 0.000 0.277 298 H C 2.646 177.985 175.328 0.018 0.000 1.004 298 H CA 2.233 58.292 56.048 0.019 0.000 1.231 298 H CB -0.180 29.591 29.762 0.015 0.000 1.382 298 H HN 0.889 nan 8.280 nan 0.000 0.580 299 V N -1.078 118.813 119.914 -0.038 0.000 2.332 299 V HA -0.319 3.802 4.120 0.001 0.000 0.248 299 V C 1.975 177.990 176.094 -0.131 0.000 1.055 299 V CA 2.034 64.288 62.300 -0.077 0.000 1.038 299 V CB -0.881 30.937 31.823 -0.009 0.000 0.651 299 V HN 0.470 nan 8.190 nan 0.000 0.450 300 Q N 0.612 120.357 119.800 -0.091 0.000 2.197 300 Q HA -0.259 4.082 4.340 0.001 0.000 0.211 300 Q C 2.329 178.262 176.000 -0.112 0.000 0.993 300 Q CA 2.394 58.158 55.803 -0.066 0.000 0.883 300 Q CB -0.390 28.332 28.738 -0.026 0.000 0.916 300 Q HN 0.673 nan 8.270 nan 0.000 0.418 301 R N 0.108 120.467 120.500 -0.235 0.000 2.310 301 R HA 0.090 4.430 4.340 0.001 0.000 0.202 301 R C 1.507 177.656 176.300 -0.252 0.000 0.933 301 R CA 0.193 56.151 56.100 -0.236 0.000 1.054 301 R CB 0.185 30.323 30.300 -0.270 0.000 0.985 301 R HN 0.204 nan 8.270 nan 0.000 0.489 302 G N 0.793 109.438 108.800 -0.258 0.000 3.078 302 G HA2 0.231 4.191 3.960 0.001 0.000 0.163 302 G HA3 0.231 4.191 3.960 0.001 0.000 0.163 302 G C 0.590 175.443 174.900 -0.079 0.000 1.894 302 G CA 0.116 45.122 45.100 -0.156 0.000 0.951 302 G HN 0.352 nan 8.290 nan 0.000 0.446 303 G N -1.383 107.387 108.800 -0.049 0.000 2.463 303 G HA2 -0.054 3.906 3.960 0.001 0.000 0.859 303 G HA3 -0.054 3.906 3.960 0.001 0.000 0.859 303 G C 0.412 175.285 174.900 -0.046 0.000 1.376 303 G CA 0.886 45.965 45.100 -0.035 0.000 0.889 303 G HN 1.239 nan 8.290 nan 0.000 0.511 304 T N 1.971 116.496 114.554 -0.049 0.000 2.859 304 T HA 0.611 4.962 4.350 0.001 0.000 0.281 304 T C -2.215 172.432 174.700 -0.088 0.000 1.005 304 T CA -1.093 60.967 62.100 -0.066 0.000 1.025 304 T CB 1.582 70.412 68.868 -0.062 0.000 0.977 304 T HN 0.565 nan 8.240 nan 0.000 0.458 305 P HA 0.141 nan 4.420 nan 0.000 0.267 305 P C 0.092 177.297 177.300 -0.158 0.000 1.209 305 P CA -0.252 62.773 63.100 -0.126 0.000 0.763 305 P CB 0.397 32.024 31.700 -0.122 0.000 0.816 306 S N 2.711 118.280 115.700 -0.218 0.000 2.580 306 S HA 0.171 4.642 4.470 0.001 0.000 0.261 306 S C 1.697 176.191 174.600 -0.177 0.000 1.366 306 S CA 0.011 58.044 58.200 -0.279 0.000 0.996 306 S CB 0.082 62.972 63.200 -0.517 0.000 0.902 306 S HN 0.557 nan 8.310 nan 0.000 0.566 307 A N 1.427 124.163 122.820 -0.139 0.000 1.859 307 A HA -0.065 4.255 4.320 0.001 0.000 0.217 307 A C 1.876 179.405 177.584 -0.091 0.000 1.198 307 A CA 1.991 53.965 52.037 -0.105 0.000 0.629 307 A CB -1.388 17.566 19.000 -0.076 0.000 0.830 307 A HN 0.973 nan 8.150 nan 0.000 0.446 308 F N 1.418 121.257 119.950 -0.185 0.000 2.043 308 F HA -0.251 4.277 4.527 0.001 0.000 0.297 308 F C 1.967 177.685 175.800 -0.137 0.000 1.118 308 F CA 2.323 60.216 58.000 -0.178 0.000 1.202 308 F CB -0.589 38.283 39.000 -0.215 0.000 0.965 308 F HN 0.304 nan 8.300 nan 0.000 0.482 309 D N -0.056 120.128 120.400 -0.361 0.000 2.149 309 D HA -0.175 4.466 4.640 0.001 0.000 0.198 309 D C 2.414 178.504 176.300 -0.351 0.000 0.990 309 D CA 1.245 54.998 54.000 -0.412 0.000 0.839 309 D CB -0.261 40.423 40.800 -0.194 0.000 0.948 309 D HN 0.426 nan 8.370 nan 0.000 0.460 310 R N 0.223 120.566 120.500 -0.262 0.000 2.075 310 R HA -0.050 4.290 4.340 0.001 0.000 0.232 310 R C 2.421 178.587 176.300 -0.223 0.000 1.126 310 R CA 0.549 56.524 56.100 -0.208 0.000 0.963 310 R CB -0.114 30.087 30.300 -0.165 0.000 0.858 310 R HN 0.200 nan 8.270 nan 0.000 0.435 311 I N 1.158 121.577 120.570 -0.251 0.000 2.127 311 I HA -0.256 3.915 4.170 0.001 0.000 0.241 311 I C 2.437 178.398 176.117 -0.260 0.000 1.075 311 I CA 1.113 62.288 61.300 -0.208 0.000 1.334 311 I CB -1.001 36.910 38.000 -0.148 0.000 1.040 311 I HN 0.163 nan 8.210 nan 0.000 0.405 312 L N 1.622 122.545 121.223 -0.499 0.000 2.079 312 L HA -0.100 4.240 4.340 0.001 0.000 0.210 312 L C 2.375 179.076 176.870 -0.281 0.000 1.081 312 L CA 2.158 56.707 54.840 -0.484 0.000 0.752 312 L CB -1.343 40.182 42.059 -0.890 0.000 0.896 312 L HN 0.223 nan 8.230 nan 0.000 0.433 313 G N -1.764 106.878 108.800 -0.263 0.000 2.421 313 G HA2 -0.234 3.726 3.960 0.001 0.000 0.216 313 G HA3 -0.234 3.726 3.960 0.001 0.000 0.216 313 G C 1.554 176.371 174.900 -0.137 0.000 1.171 313 G CA 0.850 45.842 45.100 -0.181 0.000 0.775 313 G HN 0.491 nan 8.290 nan 0.000 0.543 314 S N 0.450 116.071 115.700 -0.132 0.000 2.356 314 S HA -0.083 4.388 4.470 0.001 0.000 0.223 314 S C 2.387 176.949 174.600 -0.062 0.000 1.032 314 S CA 1.180 59.324 58.200 -0.093 0.000 1.005 314 S CB -0.198 62.949 63.200 -0.088 0.000 0.867 314 S HN 0.397 nan 8.310 nan 0.000 0.449 315 R N 0.690 121.155 120.500 -0.058 0.000 2.070 315 R HA 0.019 4.359 4.340 0.001 0.000 0.232 315 R C 2.433 178.718 176.300 -0.025 0.000 1.138 315 R CA 1.429 57.519 56.100 -0.016 0.000 0.936 315 R CB -0.405 29.903 30.300 0.013 0.000 0.839 315 R HN 0.295 nan 8.270 nan 0.000 0.429 316 M N 0.069 119.637 119.600 -0.054 0.000 2.106 316 M HA -0.118 4.363 4.480 0.001 0.000 0.259 316 M C 2.358 178.627 176.300 -0.052 0.000 1.068 316 M CA 1.897 57.164 55.300 -0.056 0.000 1.100 316 M CB -1.614 30.936 32.600 -0.084 0.000 1.351 316 M HN 0.388 nan 8.290 nan 0.000 0.404 317 G N 0.177 108.941 108.800 -0.060 0.000 2.459 317 G HA2 -0.123 3.837 3.960 0.001 0.000 0.217 317 G HA3 -0.123 3.837 3.960 0.001 0.000 0.217 317 G C 1.631 176.510 174.900 -0.035 0.000 1.183 317 G CA 1.508 46.573 45.100 -0.057 0.000 0.776 317 G HN 0.389 nan 8.290 nan 0.000 0.552 318 V N 0.891 120.794 119.914 -0.018 0.000 2.255 318 V HA -0.173 3.947 4.120 0.001 0.000 0.247 318 V C 2.620 178.717 176.094 0.005 0.000 1.051 318 V CA 2.254 64.558 62.300 0.007 0.000 1.018 318 V CB -0.693 31.149 31.823 0.031 0.000 0.641 318 V HN 0.373 nan 8.190 nan 0.000 0.445 319 E N 0.966 121.168 120.200 0.003 0.000 2.097 319 E HA -0.231 4.119 4.350 0.001 0.000 0.196 319 E C 2.107 178.703 176.600 -0.008 0.000 1.000 319 E CA 1.913 58.315 56.400 0.003 0.000 0.804 319 E CB -0.672 29.029 29.700 0.002 0.000 0.740 319 E HN 0.551 nan 8.360 nan 0.000 0.454 320 A N -0.025 122.783 122.820 -0.020 0.000 1.845 320 A HA -0.166 4.155 4.320 0.001 0.000 0.215 320 A C 2.600 180.172 177.584 -0.021 0.000 1.195 320 A CA 1.918 53.939 52.037 -0.026 0.000 0.616 320 A CB -1.054 17.923 19.000 -0.039 0.000 0.832 320 A HN 0.176 nan 8.150 nan 0.000 0.443 321 V N 0.105 120.006 119.914 -0.022 0.000 2.324 321 V HA -0.342 3.779 4.120 0.001 0.000 0.250 321 V C 2.724 178.810 176.094 -0.014 0.000 1.060 321 V CA 2.206 64.494 62.300 -0.020 0.000 1.042 321 V CB -0.726 31.085 31.823 -0.019 0.000 0.650 321 V HN 0.508 nan 8.190 nan 0.000 0.450 322 M N -0.316 119.281 119.600 -0.006 0.000 2.108 322 M HA -0.155 4.325 4.480 0.001 0.000 0.261 322 M C 2.376 178.673 176.300 -0.005 0.000 1.066 322 M CA 2.285 57.583 55.300 -0.004 0.000 1.107 322 M CB -1.570 31.033 32.600 0.006 0.000 1.356 322 M HN 0.420 nan 8.290 nan 0.000 0.406 323 A N 0.029 122.845 122.820 -0.005 0.000 1.930 323 A HA -0.100 4.220 4.320 0.001 0.000 0.217 323 A C 2.323 179.903 177.584 -0.007 0.000 1.175 323 A CA 1.094 53.128 52.037 -0.005 0.000 0.627 323 A CB -0.792 18.205 19.000 -0.005 0.000 0.815 323 A HN 0.468 nan 8.150 nan 0.000 0.443 324 L N -0.726 120.491 121.223 -0.010 0.000 1.989 324 L HA -0.215 4.126 4.340 0.001 0.000 0.211 324 L C 2.629 179.497 176.870 -0.005 0.000 1.071 324 L CA 1.458 56.292 54.840 -0.010 0.000 0.749 324 L CB -0.666 41.386 42.059 -0.013 0.000 0.890 324 L HN 0.386 nan 8.230 nan 0.000 0.431 325 L N -0.810 120.409 121.223 -0.008 0.000 2.023 325 L HA -0.150 4.190 4.340 0.001 0.000 0.205 325 L C 2.510 179.380 176.870 -0.000 0.000 1.073 325 L CA 1.125 55.962 54.840 -0.005 0.000 0.745 325 L CB -0.589 41.460 42.059 -0.018 0.000 0.900 325 L HN 0.236 nan 8.230 nan 0.000 0.435 326 E N 0.495 120.692 120.200 -0.004 0.000 2.130 326 E HA -0.120 4.230 4.350 0.001 0.000 0.196 326 E C 1.198 177.799 176.600 0.002 0.000 0.998 326 E CA 0.568 56.968 56.400 -0.001 0.000 0.806 326 E CB -0.309 29.391 29.700 -0.001 0.000 0.738 326 E HN 0.474 nan 8.360 nan 0.000 0.459 327 G N 0.745 109.545 108.800 -0.001 0.000 2.562 327 G HA2 0.099 4.059 3.960 0.001 0.000 0.233 327 G HA3 0.099 4.059 3.960 0.001 0.000 0.233 327 G C 0.156 175.054 174.900 -0.003 0.000 1.266 327 G CA 0.554 45.651 45.100 -0.005 0.000 0.852 327 G HN 0.225 nan 8.290 nan 0.000 0.581 328 T N -0.975 113.566 114.554 -0.021 0.000 2.626 328 T HA 0.605 4.955 4.350 0.001 0.000 0.279 328 T C -2.277 172.359 174.700 -0.106 0.000 0.983 328 T CA -1.091 60.986 62.100 -0.038 0.000 1.059 328 T CB 1.829 70.683 68.868 -0.024 0.000 1.396 328 T HN 0.134 nan 8.240 nan 0.000 0.519 329 P HA 0.191 nan 4.420 nan 0.000 0.227 329 P C 0.603 177.817 177.300 -0.143 0.000 1.161 329 P CA 0.513 63.453 63.100 -0.267 0.000 0.788 329 P CB 0.063 31.494 31.700 -0.449 0.000 0.822 330 D N -1.470 118.875 120.400 -0.092 0.000 2.349 330 D HA 0.022 4.662 4.640 0.001 0.000 0.215 330 D C 0.145 176.420 176.300 -0.041 0.000 1.016 330 D CA 0.908 54.875 54.000 -0.055 0.000 0.870 330 D CB 0.031 40.810 40.800 -0.036 0.000 0.917 330 D HN 0.150 nan 8.370 nan 0.000 0.524 331 T N 3.397 117.923 114.554 -0.047 0.000 2.758 331 T HA 0.270 4.620 4.350 0.001 0.000 0.285 331 T C -1.681 173.000 174.700 -0.032 0.000 0.981 331 T CA -1.340 60.742 62.100 -0.031 0.000 0.965 331 T CB 2.573 71.427 68.868 -0.023 0.000 0.927 331 T HN -0.014 nan 8.240 nan 0.000 0.448 332 P HA 0.238 nan 4.420 nan 0.000 0.313 332 P C -0.733 176.566 177.300 -0.003 0.000 1.332 332 P CA -0.461 62.634 63.100 -0.009 0.000 0.777 332 P CB 0.440 32.142 31.700 0.004 0.000 1.599 333 A N -0.721 122.108 122.820 0.015 0.000 2.271 333 A HA 0.541 4.862 4.320 0.001 0.000 0.317 333 A C 0.436 178.043 177.584 0.038 0.000 1.245 333 A CA -0.506 51.548 52.037 0.029 0.000 0.857 333 A CB -0.415 18.617 19.000 0.054 0.000 1.175 333 A HN 0.657 nan 8.150 nan 0.000 0.512 334 C N 0.522 119.839 119.300 0.029 0.000 2.486 334 C HA 0.898 5.358 4.460 0.001 0.000 0.348 334 C C -0.238 174.769 174.990 0.027 0.000 1.203 334 C CA -0.822 58.215 59.018 0.032 0.000 1.911 334 C CB 0.785 28.536 27.740 0.018 0.000 2.340 334 C HN 0.617 nan 8.230 nan 0.000 0.511 335 V N 2.802 122.731 119.914 0.026 0.000 2.385 335 V HA 0.347 4.467 4.120 0.001 0.000 0.277 335 V C 0.278 176.358 176.094 -0.022 0.000 1.012 335 V CA -0.324 61.969 62.300 -0.012 0.000 0.832 335 V CB 0.841 32.654 31.823 -0.017 0.000 1.028 335 V HN 1.061 nan 8.190 nan 0.000 0.436 336 V N 3.212 123.108 119.914 -0.032 0.000 2.617 336 V HA 0.643 4.764 4.120 0.001 0.000 0.304 336 V C 0.422 176.491 176.094 -0.041 0.000 1.040 336 V CA 0.793 63.078 62.300 -0.025 0.000 1.149 336 V CB 0.601 32.407 31.823 -0.028 0.000 0.914 336 V HN 1.089 nan 8.190 nan 0.000 0.487 337 S N 4.446 120.134 115.700 -0.019 0.000 2.656 337 S HA 0.743 5.213 4.470 0.001 0.000 0.273 337 S C -1.160 173.444 174.600 0.007 0.000 1.168 337 S CA -1.017 57.170 58.200 -0.021 0.000 0.817 337 S CB 1.636 64.829 63.200 -0.012 0.000 1.146 337 S HN 1.176 nan 8.310 nan 0.000 0.475 338 L N 2.744 123.978 121.223 0.019 0.000 2.272 338 L HA 0.728 5.069 4.340 0.001 0.000 0.289 338 L C -0.449 176.444 176.870 0.038 0.000 1.032 338 L CA 0.315 55.179 54.840 0.040 0.000 0.810 338 L CB 1.501 43.605 42.059 0.075 0.000 1.205 338 L HN 0.931 nan 8.230 nan 0.000 0.422 339 S N 2.626 118.343 115.700 0.029 0.000 2.707 339 S HA 0.678 5.148 4.470 0.001 0.000 0.303 339 S C 0.231 174.836 174.600 0.008 0.000 1.132 339 S CA -0.246 57.968 58.200 0.023 0.000 1.046 339 S CB 1.318 64.533 63.200 0.025 0.000 1.004 339 S HN 1.357 nan 8.310 nan 0.000 0.483 340 G N 3.109 111.910 108.800 0.002 0.000 2.370 340 G HA2 -0.316 3.644 3.960 0.001 0.000 0.293 340 G HA3 -0.316 3.644 3.960 0.001 0.000 0.293 340 G C 0.378 175.245 174.900 -0.055 0.000 0.992 340 G CA 0.234 45.321 45.100 -0.023 0.000 1.247 340 G HN 1.684 nan 8.290 nan 0.000 0.505 341 N N -1.426 117.248 118.700 -0.043 0.000 2.628 341 N HA -0.220 4.521 4.740 0.001 0.000 0.247 341 N C 0.451 175.919 175.510 -0.070 0.000 1.157 341 N CA 2.307 55.307 53.050 -0.084 0.000 0.729 341 N CB -0.428 37.891 38.487 -0.280 0.000 1.083 341 N HN 0.961 nan 8.380 nan 0.000 0.554 342 Q N -0.679 119.111 119.800 -0.017 0.000 2.353 342 Q HA 0.650 4.991 4.340 0.001 0.000 0.268 342 Q C -0.640 175.379 176.000 0.031 0.000 1.045 342 Q CA -0.561 55.250 55.803 0.012 0.000 0.811 342 Q CB 1.776 30.516 28.738 0.003 0.000 1.305 342 Q HN 0.344 nan 8.270 nan 0.000 0.447 343 A N 1.919 124.765 122.820 0.044 0.000 2.404 343 A HA 0.498 4.818 4.320 0.001 0.000 0.273 343 A C -0.178 177.422 177.584 0.027 0.000 1.144 343 A CA -0.334 51.724 52.037 0.036 0.000 0.806 343 A CB -0.069 18.956 19.000 0.042 0.000 1.080 343 A HN 0.500 nan 8.150 nan 0.000 0.509 344 V N 1.154 121.081 119.914 0.021 0.000 2.733 344 V HA 0.748 4.868 4.120 0.001 0.000 0.306 344 V C -0.541 175.563 176.094 0.017 0.000 1.084 344 V CA -1.245 61.068 62.300 0.020 0.000 0.905 344 V CB 1.457 33.294 31.823 0.022 0.000 1.010 344 V HN 0.857 nan 8.190 nan 0.000 0.424 345 R N 4.260 124.770 120.500 0.016 0.000 2.490 345 R HA 0.806 5.146 4.340 0.001 0.000 0.280 345 R C -0.550 175.765 176.300 0.026 0.000 1.077 345 R CA -0.125 55.984 56.100 0.016 0.000 1.065 345 R CB 0.810 31.117 30.300 0.012 0.000 1.003 345 R HN 0.819 nan 8.270 nan 0.000 0.470 346 L N 3.359 124.603 121.223 0.036 0.000 2.409 346 L HA 0.510 4.850 4.340 0.001 0.000 0.262 346 L C -2.262 174.645 176.870 0.061 0.000 0.992 346 L CA -2.558 52.313 54.840 0.053 0.000 0.817 346 L CB 2.678 44.784 42.059 0.078 0.000 1.350 346 L HN 0.464 nan 8.230 nan 0.000 0.411 347 P HA -0.006 nan 4.420 nan 0.000 0.261 347 P C 0.925 178.273 177.300 0.080 0.000 1.203 347 P CA 0.124 63.256 63.100 0.053 0.000 0.767 347 P CB 1.110 32.832 31.700 0.037 0.000 0.785 348 L N 3.632 124.908 121.223 0.088 0.000 2.021 348 L HA -0.250 4.090 4.340 0.001 0.000 0.215 348 L C 2.605 179.542 176.870 0.111 0.000 1.074 348 L CA 1.954 56.869 54.840 0.126 0.000 0.760 348 L CB -0.273 41.855 42.059 0.114 0.000 0.889 348 L HN 0.360 nan 8.230 nan 0.000 0.433 349 M N -0.902 118.739 119.600 0.068 0.000 2.126 349 M HA -0.288 4.192 4.480 0.001 0.000 0.259 349 M C 2.094 178.402 176.300 0.013 0.000 1.073 349 M CA 2.065 57.389 55.300 0.039 0.000 1.103 349 M CB -0.636 31.980 32.600 0.026 0.000 1.284 349 M HN 0.230 nan 8.290 nan 0.000 0.420 350 E N -0.220 119.986 120.200 0.011 0.000 2.114 350 E HA -0.250 4.101 4.350 0.001 0.000 0.199 350 E C 2.004 178.580 176.600 -0.041 0.000 1.008 350 E CA 1.695 58.089 56.400 -0.010 0.000 0.810 350 E CB -0.387 29.315 29.700 0.003 0.000 0.739 350 E HN 0.582 nan 8.360 nan 0.000 0.456 351 C N 0.242 119.536 119.300 -0.009 0.000 2.413 351 C HA -0.101 4.359 4.460 0.001 0.000 0.277 351 C C 2.736 177.518 174.990 -0.347 0.000 1.265 351 C CA 0.541 59.508 59.018 -0.086 0.000 1.752 351 C CB -0.692 27.190 27.740 0.235 0.000 1.998 351 C HN 0.277 nan 8.230 nan 0.000 0.489 352 V N 0.199 120.013 119.914 -0.166 0.000 2.649 352 V HA -0.191 3.929 4.120 0.001 0.000 0.248 352 V C 2.373 178.374 176.094 -0.156 0.000 1.054 352 V CA 1.654 63.842 62.300 -0.186 0.000 1.073 352 V CB -0.968 30.837 31.823 -0.030 0.000 0.699 352 V HN 0.592 nan 8.190 nan 0.000 0.463 353 Q N 0.571 120.309 119.800 -0.103 0.000 2.061 353 Q HA -0.186 4.154 4.340 0.001 0.000 0.204 353 Q C 2.106 178.041 176.000 -0.109 0.000 0.984 353 Q CA 2.377 58.131 55.803 -0.082 0.000 0.846 353 Q CB -0.072 28.634 28.738 -0.052 0.000 0.902 353 Q HN 0.548 nan 8.270 nan 0.000 0.421 354 V N 0.312 120.145 119.914 -0.136 0.000 3.141 354 V HA -0.137 3.984 4.120 0.001 0.000 0.265 354 V C 2.041 178.020 176.094 -0.191 0.000 1.126 354 V CA 1.627 63.843 62.300 -0.140 0.000 1.141 354 V CB -0.524 31.223 31.823 -0.126 0.000 0.743 354 V HN 0.392 nan 8.190 nan 0.000 0.492 355 T N 0.148 114.542 114.554 -0.266 0.000 2.698 355 T HA -0.129 4.222 4.350 0.001 0.000 0.260 355 T C 1.978 176.566 174.700 -0.188 0.000 1.044 355 T CA 1.441 63.359 62.100 -0.303 0.000 1.149 355 T CB -0.114 68.501 68.868 -0.423 0.000 0.864 355 T HN 0.462 nan 8.240 nan 0.000 0.419 356 K N 0.940 121.250 120.400 -0.151 0.000 2.097 356 K HA -0.071 4.249 4.320 0.001 0.000 0.205 356 K C 2.097 178.641 176.600 -0.094 0.000 1.050 356 K CA 1.118 57.337 56.287 -0.112 0.000 0.938 356 K CB -0.133 32.316 32.500 -0.085 0.000 0.718 356 K HN 0.264 nan 8.250 nan 0.000 0.442 357 D N 0.839 121.184 120.400 -0.092 0.000 2.149 357 D HA -0.168 4.472 4.640 0.001 0.000 0.194 357 D C 1.863 178.119 176.300 -0.072 0.000 1.001 357 D CA 1.311 55.266 54.000 -0.075 0.000 0.849 357 D CB -0.092 40.664 40.800 -0.073 0.000 0.939 357 D HN -0.028 nan 8.370 nan 0.000 0.449 358 V N 0.914 120.776 119.914 -0.085 0.000 2.759 358 V HA -0.184 3.936 4.120 0.001 0.000 0.256 358 V C 2.424 178.492 176.094 -0.043 0.000 1.080 358 V CA 1.512 63.768 62.300 -0.074 0.000 1.101 358 V CB -0.615 31.151 31.823 -0.094 0.000 0.698 358 V HN 0.191 nan 8.190 nan 0.000 0.477 359 T N -0.145 114.376 114.554 -0.054 0.000 2.668 359 T HA -0.145 4.206 4.350 0.001 0.000 0.258 359 T C 1.930 176.628 174.700 -0.003 0.000 1.051 359 T CA 1.417 63.502 62.100 -0.025 0.000 1.155 359 T CB -0.174 68.641 68.868 -0.089 0.000 0.864 359 T HN 0.443 nan 8.240 nan 0.000 0.413 360 K N 1.431 121.813 120.400 -0.031 0.000 2.015 360 K HA -0.194 4.126 4.320 0.001 0.000 0.220 360 K C 2.573 179.144 176.600 -0.048 0.000 1.055 360 K CA 1.555 57.821 56.287 -0.035 0.000 0.951 360 K CB -0.643 31.831 32.500 -0.043 0.000 0.725 360 K HN 0.300 nan 8.250 nan 0.000 0.449 361 A N 0.941 123.728 122.820 -0.056 0.000 2.117 361 A HA -0.248 4.072 4.320 0.001 0.000 0.224 361 A C 2.045 179.563 177.584 -0.110 0.000 1.167 361 A CA 2.047 54.037 52.037 -0.079 0.000 0.664 361 A CB -0.568 18.397 19.000 -0.057 0.000 0.811 361 A HN 0.338 nan 8.150 nan 0.000 0.470 362 M N -1.313 118.271 119.600 -0.027 0.000 2.486 362 M HA -0.020 4.460 4.480 0.001 0.000 0.264 362 M C 0.697 176.995 176.300 -0.004 0.000 1.125 362 M CA 0.751 56.096 55.300 0.075 0.000 1.144 362 M CB 0.029 32.757 32.600 0.214 0.000 1.353 362 M HN 0.238 nan 8.290 nan 0.000 0.466 363 D N 0.846 121.233 120.400 -0.021 0.000 2.348 363 D HA -0.014 4.626 4.640 0.001 0.000 0.216 363 D C -0.072 176.164 176.300 -0.106 0.000 0.970 363 D CA 0.730 54.720 54.000 -0.018 0.000 0.889 363 D CB -0.037 40.763 40.800 0.000 0.000 0.912 363 D HN 0.414 nan 8.370 nan 0.000 0.524 364 E N 0.259 120.331 120.200 -0.214 0.000 2.179 364 E HA 0.225 4.575 4.350 0.001 0.000 0.275 364 E C 0.545 176.838 176.600 -0.511 0.000 0.945 364 E CA -0.527 55.718 56.400 -0.258 0.000 0.792 364 E CB 1.662 31.248 29.700 -0.191 0.000 1.125 364 E HN -0.135 nan 8.360 nan 0.000 0.397 365 K N 1.492 121.660 120.400 -0.386 0.000 2.521 365 K HA -0.181 4.140 4.320 0.001 0.000 0.198 365 K C 0.178 176.453 176.600 -0.542 0.000 1.046 365 K CA 1.024 57.051 56.287 -0.434 0.000 0.931 365 K CB -0.135 32.278 32.500 -0.145 0.000 0.764 365 K HN 0.209 nan 8.250 nan 0.000 0.487 366 R N 0.667 120.880 120.500 -0.477 0.000 2.522 366 R HA 0.138 4.478 4.340 0.001 0.000 0.290 366 R C 0.067 176.174 176.300 -0.321 0.000 1.216 366 R CA -0.298 55.627 56.100 -0.290 0.000 1.250 366 R CB 0.140 30.350 30.300 -0.150 0.000 1.143 366 R HN 0.089 nan 8.270 nan 0.000 0.553 367 F N 1.140 121.079 119.950 -0.017 0.000 2.293 367 F HA -0.125 4.402 4.527 0.001 0.000 0.297 367 F C 2.072 177.842 175.800 -0.050 0.000 1.089 367 F CA 0.589 58.565 58.000 -0.040 0.000 1.377 367 F CB 0.027 38.998 39.000 -0.048 0.000 1.051 367 F HN 0.425 nan 8.300 nan 0.000 0.511 368 D N 0.685 121.172 120.400 0.145 0.000 2.280 368 D HA -0.264 4.376 4.640 0.001 0.000 0.206 368 D C 1.670 177.989 176.300 0.032 0.000 0.988 368 D CA 1.368 55.416 54.000 0.079 0.000 0.886 368 D CB -0.443 40.402 40.800 0.074 0.000 0.914 368 D HN 0.349 nan 8.370 nan 0.000 0.473 369 E N 1.594 121.798 120.200 0.008 0.000 2.015 369 E HA -0.069 4.281 4.350 0.001 0.000 0.191 369 E C 2.199 178.783 176.600 -0.028 0.000 0.991 369 E CA 1.779 58.168 56.400 -0.018 0.000 0.802 369 E CB -0.526 29.148 29.700 -0.042 0.000 0.759 369 E HN 0.248 nan 8.360 nan 0.000 0.447 370 A N 0.853 123.658 122.820 -0.024 0.000 1.865 370 A HA -0.208 4.112 4.320 0.001 0.000 0.217 370 A C 2.275 179.794 177.584 -0.108 0.000 1.191 370 A CA 2.051 54.055 52.037 -0.055 0.000 0.623 370 A CB -0.667 18.323 19.000 -0.016 0.000 0.826 370 A HN 0.330 nan 8.150 nan 0.000 0.444 371 M N -0.118 119.430 119.600 -0.087 0.000 2.226 371 M HA -0.247 4.233 4.480 0.001 0.000 0.257 371 M C 2.063 178.308 176.300 -0.091 0.000 1.070 371 M CA 2.268 57.488 55.300 -0.133 0.000 1.087 371 M CB -1.145 31.427 32.600 -0.047 0.000 1.278 371 M HN 0.466 nan 8.290 nan 0.000 0.426 372 K N -0.227 120.158 120.400 -0.026 0.000 2.032 372 K HA -0.161 4.159 4.320 0.001 0.000 0.209 372 K C 2.041 178.622 176.600 -0.032 0.000 1.048 372 K CA 1.181 57.467 56.287 -0.003 0.000 0.927 372 K CB -0.475 32.032 32.500 0.010 0.000 0.712 372 K HN 0.324 nan 8.250 nan 0.000 0.441 373 L N 0.819 122.008 121.223 -0.056 0.000 2.187 373 L HA -0.212 4.129 4.340 0.001 0.000 0.213 373 L C 2.493 179.301 176.870 -0.103 0.000 1.100 373 L CA 0.926 55.724 54.840 -0.070 0.000 0.765 373 L CB -0.074 41.939 42.059 -0.076 0.000 0.904 373 L HN 0.110 nan 8.230 nan 0.000 0.437 374 R N 0.052 120.449 120.500 -0.171 0.000 2.093 374 R HA 0.131 4.471 4.340 0.001 0.000 0.224 374 R C 0.384 176.621 176.300 -0.104 0.000 1.101 374 R CA 0.794 56.735 56.100 -0.264 0.000 0.979 374 R CB -0.041 29.841 30.300 -0.697 0.000 0.877 374 R HN 0.414 nan 8.270 nan 0.000 0.441 375 G N -2.049 106.742 108.800 -0.015 0.000 2.353 375 G HA2 -0.004 3.957 3.960 0.001 0.000 0.308 375 G HA3 -0.004 3.957 3.960 0.001 0.000 0.308 375 G C -0.510 174.472 174.900 0.137 0.000 1.418 375 G CA -0.149 45.001 45.100 0.083 0.000 0.966 375 G HN 0.090 nan 8.290 nan 0.000 0.638 376 R N -0.250 120.323 120.500 0.121 0.000 2.066 376 R HA 0.095 4.435 4.340 0.001 0.000 0.224 376 R C 2.639 179.032 176.300 0.156 0.000 1.122 376 R CA 1.972 58.147 56.100 0.124 0.000 0.974 376 R CB -0.409 29.946 30.300 0.091 0.000 0.871 376 R HN 0.543 nan 8.270 nan 0.000 0.435 377 S N 0.096 115.885 115.700 0.149 0.000 2.345 377 S HA -0.177 4.293 4.470 0.001 0.000 0.220 377 S C 1.716 176.437 174.600 0.201 0.000 1.031 377 S CA 1.325 59.612 58.200 0.146 0.000 0.996 377 S CB -0.480 62.788 63.200 0.114 0.000 0.882 377 S HN 0.448 nan 8.310 nan 0.000 0.445 378 F N 1.550 121.565 119.950 0.110 0.000 2.087 378 F HA -0.171 4.357 4.527 0.001 0.000 0.299 378 F C 2.333 178.234 175.800 0.168 0.000 1.100 378 F CA 2.201 60.292 58.000 0.151 0.000 1.226 378 F CB -0.249 38.816 39.000 0.108 0.000 0.983 378 F HN 0.260 nan 8.300 nan 0.000 0.479 379 M N -0.052 119.851 119.600 0.504 0.000 2.460 379 M HA -0.171 4.310 4.480 0.001 0.000 0.263 379 M C 1.556 178.042 176.300 0.310 0.000 1.071 379 M CA 1.356 56.917 55.300 0.436 0.000 1.096 379 M CB -0.327 32.459 32.600 0.309 0.000 1.408 379 M HN 0.221 nan 8.290 nan 0.000 0.463 380 N N 0.543 119.369 118.700 0.210 0.000 2.148 380 N HA -0.103 4.637 4.740 0.001 0.000 0.186 380 N C 1.237 176.814 175.510 0.111 0.000 1.031 380 N CA 1.356 54.490 53.050 0.140 0.000 0.848 380 N CB -0.090 38.460 38.487 0.105 0.000 1.005 380 N HN 0.292 nan 8.380 nan 0.000 0.427 381 N N 0.512 119.256 118.700 0.073 0.000 2.049 381 N HA -0.265 4.476 4.740 0.001 0.000 0.198 381 N C 1.501 177.070 175.510 0.097 0.000 1.030 381 N CA 1.233 54.297 53.050 0.024 0.000 0.870 381 N CB -0.839 37.590 38.487 -0.096 0.000 1.045 381 N HN 0.490 nan 8.380 nan 0.000 0.434 382 W N 2.274 123.526 121.300 -0.080 0.000 2.289 382 W HA -0.254 4.406 4.660 0.001 0.000 0.328 382 W C 1.884 178.449 176.519 0.077 0.000 1.241 382 W CA 1.421 58.764 57.345 -0.003 0.000 1.221 382 W CB -0.235 29.257 29.460 0.052 0.000 1.175 382 W HN 0.059 nan 8.180 nan 0.000 0.457 383 E N 0.218 120.409 120.200 -0.016 0.000 2.136 383 E HA -0.283 4.068 4.350 0.001 0.000 0.208 383 E C 1.954 178.465 176.600 -0.149 0.000 1.035 383 E CA 2.336 58.657 56.400 -0.132 0.000 0.838 383 E CB -1.112 28.609 29.700 0.034 0.000 0.748 383 E HN 0.298 nan 8.360 nan 0.000 0.459 384 V N 0.676 120.552 119.914 -0.063 0.000 2.270 384 V HA -0.256 3.864 4.120 0.001 0.000 0.245 384 V C 2.192 178.218 176.094 -0.115 0.000 1.043 384 V CA 1.941 64.199 62.300 -0.071 0.000 1.014 384 V CB -0.902 30.903 31.823 -0.031 0.000 0.645 384 V HN 0.223 nan 8.190 nan 0.000 0.447 385 Y N 1.717 121.918 120.300 -0.166 0.000 2.002 385 Y HA -0.393 4.158 4.550 0.001 0.000 0.268 385 Y C 2.565 178.341 175.900 -0.206 0.000 1.177 385 Y CA 2.385 60.380 58.100 -0.175 0.000 1.111 385 Y CB -0.546 37.806 38.460 -0.181 0.000 0.952 385 Y HN 0.130 nan 8.280 nan 0.000 0.491 386 K N 0.112 120.219 120.400 -0.489 0.000 2.089 386 K HA -0.238 4.083 4.320 0.001 0.000 0.210 386 K C 2.243 178.727 176.600 -0.195 0.000 1.048 386 K CA 1.958 57.937 56.287 -0.514 0.000 0.926 386 K CB -0.503 31.650 32.500 -0.578 0.000 0.714 386 K HN 0.425 nan 8.250 nan 0.000 0.448 387 L N 0.668 121.798 121.223 -0.156 0.000 1.994 387 L HA -0.214 4.126 4.340 0.001 0.000 0.208 387 L C 2.214 179.090 176.870 0.009 0.000 1.071 387 L CA 1.264 56.047 54.840 -0.095 0.000 0.745 387 L CB -0.200 41.780 42.059 -0.132 0.000 0.892 387 L HN 0.224 nan 8.230 nan 0.000 0.431 388 L N -1.083 120.079 121.223 -0.101 0.000 2.291 388 L HA -0.128 4.213 4.340 0.001 0.000 0.214 388 L C 2.623 179.491 176.870 -0.004 0.000 1.120 388 L CA 0.636 55.413 54.840 -0.106 0.000 0.799 388 L CB -0.533 41.402 42.059 -0.206 0.000 0.925 388 L HN 0.249 nan 8.230 nan 0.000 0.446 389 A N -1.313 121.421 122.820 -0.143 0.000 1.929 389 A HA -0.110 4.210 4.320 0.001 0.000 0.216 389 A C 0.708 178.356 177.584 0.108 0.000 1.176 389 A CA 0.334 52.275 52.037 -0.160 0.000 0.628 389 A CB -0.597 18.067 19.000 -0.560 0.000 0.816 389 A HN 0.342 nan 8.150 nan 0.000 0.444 390 H N -0.529 118.550 119.070 0.015 0.000 3.169 390 H HA -0.088 4.469 4.556 0.001 0.000 0.331 390 H C 1.430 176.696 175.328 -0.103 0.000 1.054 390 H CA 0.959 56.975 56.048 -0.054 0.000 1.321 390 H CB 0.304 29.962 29.762 -0.174 0.000 1.223 390 H HN 0.199 nan 8.280 nan 0.000 0.601 391 I N 0.692 121.192 120.570 -0.117 0.000 2.277 391 I HA -0.029 4.141 4.170 0.001 0.000 0.243 391 I C 0.881 176.725 176.117 -0.455 0.000 1.094 391 I CA 1.442 62.644 61.300 -0.163 0.000 1.393 391 I CB -0.410 37.528 38.000 -0.103 0.000 1.078 391 I HN 0.430 nan 8.210 nan 0.000 0.417 392 R N 0.631 120.792 120.500 -0.565 0.000 2.626 392 R HA 0.461 4.801 4.340 0.001 0.000 0.274 392 R C -2.620 173.266 176.300 -0.690 0.000 1.031 392 R CA -1.382 54.276 56.100 -0.736 0.000 0.898 392 R CB 1.878 31.969 30.300 -0.348 0.000 1.222 392 R HN -0.009 nan 8.270 nan 0.000 0.455 393 P HA 0.487 nan 4.420 nan 0.000 0.280 393 P C -2.317 174.873 177.300 -0.183 0.000 1.272 393 P CA -1.273 61.593 63.100 -0.389 0.000 0.819 393 P CB 0.111 31.719 31.700 -0.154 0.000 1.122 394 P HA 0.242 nan 4.420 nan 0.000 0.280 394 P C -0.708 176.562 177.300 -0.050 0.000 1.278 394 P CA -0.285 62.772 63.100 -0.072 0.000 0.787 394 P CB -0.062 31.602 31.700 -0.059 0.000 1.163 395 A N 1.193 123.989 122.820 -0.041 0.000 2.289 395 A HA 0.426 4.746 4.320 0.001 0.000 0.298 395 A C -2.016 175.548 177.584 -0.033 0.000 1.208 395 A CA -1.377 50.642 52.037 -0.030 0.000 0.845 395 A CB -0.666 18.318 19.000 -0.027 0.000 1.125 395 A HN 0.433 nan 8.150 nan 0.000 0.517 396 P HA -0.018 nan 4.420 nan 0.000 0.252 396 P C -0.146 177.124 177.300 -0.051 0.000 1.183 396 P CA 0.380 63.456 63.100 -0.040 0.000 0.973 396 P CB -0.029 31.655 31.700 -0.027 0.000 0.990 397 K N 1.694 122.054 120.400 -0.067 0.000 2.393 397 K HA -0.072 4.248 4.320 0.001 0.000 0.264 397 K C 1.924 178.481 176.600 -0.071 0.000 0.979 397 K CA 0.637 56.882 56.287 -0.070 0.000 0.893 397 K CB 0.007 32.454 32.500 -0.088 0.000 0.967 397 K HN 0.472 nan 8.250 nan 0.000 0.521 398 S N 0.235 115.899 115.700 -0.060 0.000 2.368 398 S HA -0.159 4.311 4.470 0.001 0.000 0.226 398 S C 1.210 175.770 174.600 -0.067 0.000 1.044 398 S CA 1.123 59.294 58.200 -0.049 0.000 1.062 398 S CB -0.499 62.679 63.200 -0.036 0.000 0.931 398 S HN 0.745 nan 8.310 nan 0.000 0.440 399 G N 2.059 110.794 108.800 -0.108 0.000 3.428 399 G HA2 0.518 4.479 3.960 0.001 0.000 0.344 399 G HA3 0.518 4.479 3.960 0.001 0.000 0.344 399 G C -0.436 174.289 174.900 -0.293 0.000 1.256 399 G CA -0.255 44.751 45.100 -0.157 0.000 1.209 399 G HN 0.638 nan 8.290 nan 0.000 0.470 400 S N 1.315 116.870 115.700 -0.243 0.000 2.475 400 S HA 0.632 5.103 4.470 0.001 0.000 0.298 400 S C -0.177 174.289 174.600 -0.223 0.000 1.119 400 S CA -0.871 57.135 58.200 -0.323 0.000 1.085 400 S CB 1.193 64.288 63.200 -0.175 0.000 1.028 400 S HN 0.431 nan 8.310 nan 0.000 0.489 401 Y N 1.245 121.496 120.300 -0.081 0.000 2.296 401 Y HA 0.436 4.987 4.550 0.001 0.000 0.343 401 Y C 1.467 177.346 175.900 -0.034 0.000 1.292 401 Y CA -0.252 57.806 58.100 -0.069 0.000 1.490 401 Y CB 0.751 39.169 38.460 -0.071 0.000 1.359 401 Y HN 0.777 nan 8.280 nan 0.000 0.599 402 T N 0.390 115.046 114.554 0.170 0.000 2.949 402 T HA 0.576 4.926 4.350 0.001 0.000 0.300 402 T C -1.202 173.542 174.700 0.074 0.000 0.988 402 T CA -0.661 61.493 62.100 0.090 0.000 0.993 402 T CB 0.154 69.067 68.868 0.075 0.000 0.984 402 T HN 0.398 nan 8.240 nan 0.000 0.442 403 V N 3.060 123.001 119.914 0.045 0.000 3.096 403 V HA 0.972 5.092 4.120 0.001 0.000 0.319 403 V C 0.485 176.573 176.094 -0.011 0.000 1.082 403 V CA -0.995 61.325 62.300 0.033 0.000 1.022 403 V CB 1.644 33.487 31.823 0.034 0.000 1.103 403 V HN 1.205 nan 8.190 nan 0.000 0.455 404 A N 1.432 124.243 122.820 -0.014 0.000 2.381 404 A HA 0.775 5.096 4.320 0.001 0.000 0.299 404 A C -0.981 176.562 177.584 -0.069 0.000 1.049 404 A CA -0.518 51.481 52.037 -0.063 0.000 0.715 404 A CB 1.760 20.730 19.000 -0.049 0.000 1.222 404 A HN 1.047 nan 8.150 nan 0.000 0.428 405 V N 4.677 124.520 119.914 -0.119 0.000 2.769 405 V HA 0.962 5.082 4.120 0.001 0.000 0.312 405 V C -0.420 175.586 176.094 -0.147 0.000 1.058 405 V CA -0.533 61.696 62.300 -0.119 0.000 0.952 405 V CB 1.639 33.380 31.823 -0.137 0.000 1.019 405 V HN 1.367 nan 8.190 nan 0.000 0.445 406 M N 4.162 123.675 119.600 -0.144 0.000 2.562 406 M HA 0.603 5.083 4.480 0.001 0.000 0.281 406 M C -2.342 173.857 176.300 -0.169 0.000 1.195 406 M CA -0.675 54.521 55.300 -0.173 0.000 0.888 406 M CB 2.299 34.766 32.600 -0.222 0.000 1.731 406 M HN 0.528 nan 8.290 nan 0.000 0.493 407 N N 1.219 119.831 118.700 -0.146 0.000 2.430 407 N HA 0.823 5.564 4.740 0.001 0.000 0.298 407 N C -1.491 173.926 175.510 -0.156 0.000 1.130 407 N CA -0.451 52.529 53.050 -0.118 0.000 0.894 407 N CB 2.473 40.927 38.487 -0.055 0.000 1.209 407 N HN 0.555 nan 8.380 nan 0.000 0.503 408 V N -0.028 119.809 119.914 -0.128 0.000 2.668 408 V HA 0.860 4.980 4.120 0.001 0.000 0.304 408 V C 0.408 176.496 176.094 -0.011 0.000 1.071 408 V CA -0.372 61.857 62.300 -0.117 0.000 0.894 408 V CB 1.081 32.787 31.823 -0.194 0.000 1.008 408 V HN 0.995 nan 8.190 nan 0.000 0.425 409 G N 3.411 112.226 108.800 0.025 0.000 2.422 409 G HA2 0.457 4.417 3.960 0.001 0.000 0.607 409 G HA3 0.457 4.417 3.960 0.001 0.000 0.607 409 G C -0.201 174.731 174.900 0.054 0.000 1.270 409 G CA 0.035 45.174 45.100 0.065 0.000 0.992 409 G HN 1.634 nan 8.290 nan 0.000 0.499 410 A N 0.975 123.837 122.820 0.070 0.000 2.346 410 A HA 0.770 5.090 4.320 0.001 0.000 0.252 410 A C -1.355 176.261 177.584 0.054 0.000 1.089 410 A CA -0.108 51.967 52.037 0.064 0.000 0.797 410 A CB -0.028 19.023 19.000 0.087 0.000 1.047 410 A HN 0.922 nan 8.150 nan 0.000 0.494 411 P HA 0.434 nan 4.420 nan 0.000 0.275 411 P C -0.819 176.507 177.300 0.044 0.000 1.227 411 P CA 0.152 63.272 63.100 0.034 0.000 0.781 411 P CB 1.348 33.062 31.700 0.022 0.000 0.906 412 A N 2.729 125.573 122.820 0.039 0.000 2.386 412 A HA 0.664 4.984 4.320 0.001 0.000 0.311 412 A C -0.183 177.425 177.584 0.040 0.000 1.068 412 A CA -0.893 51.173 52.037 0.049 0.000 0.743 412 A CB 1.354 20.388 19.000 0.057 0.000 1.258 412 A HN 0.554 nan 8.150 nan 0.000 0.429 413 A N 0.766 123.616 122.820 0.049 0.000 2.505 413 A HA 0.502 4.822 4.320 0.001 0.000 0.271 413 A C 1.365 178.974 177.584 0.043 0.000 1.112 413 A CA 1.010 53.073 52.037 0.043 0.000 0.781 413 A CB -0.925 18.107 19.000 0.052 0.000 1.059 413 A HN 2.678 nan 8.150 nan 0.000 0.508 414 G N 1.920 110.736 108.800 0.026 0.000 2.480 414 G HA2 -0.243 3.717 3.960 0.001 0.000 0.193 414 G HA3 -0.243 3.717 3.960 0.001 0.000 0.193 414 G C 1.106 176.006 174.900 -0.000 0.000 1.004 414 G CA 0.293 45.400 45.100 0.011 0.000 0.696 414 G HN 0.535 nan 8.290 nan 0.000 0.478 415 M N 0.852 120.456 119.600 0.007 0.000 2.143 415 M HA -0.134 4.346 4.480 0.001 0.000 0.258 415 M C 2.305 178.637 176.300 0.053 0.000 1.071 415 M CA 2.056 57.361 55.300 0.008 0.000 1.088 415 M CB -0.545 32.063 32.600 0.014 0.000 1.360 415 M HN 0.313 nan 8.290 nan 0.000 0.404 416 N N 0.561 119.325 118.700 0.106 0.000 2.135 416 N HA -0.043 4.698 4.740 0.001 0.000 0.186 416 N C 1.866 177.486 175.510 0.183 0.000 1.027 416 N CA 1.547 54.756 53.050 0.264 0.000 0.849 416 N CB -0.345 38.311 38.487 0.282 0.000 1.002 416 N HN 0.343 nan 8.380 nan 0.000 0.425 417 A N 1.646 124.517 122.820 0.084 0.000 1.873 417 A HA -0.144 4.176 4.320 0.001 0.000 0.218 417 A C 2.433 179.986 177.584 -0.052 0.000 1.193 417 A CA 2.376 54.420 52.037 0.012 0.000 0.629 417 A CB -1.045 17.945 19.000 -0.015 0.000 0.826 417 A HN 0.340 nan 8.150 nan 0.000 0.447 418 A N -0.831 121.953 122.820 -0.059 0.000 1.948 418 A HA -0.059 4.261 4.320 0.001 0.000 0.220 418 A C 2.197 179.710 177.584 -0.118 0.000 1.177 418 A CA 2.025 54.000 52.037 -0.103 0.000 0.636 418 A CB -0.930 18.003 19.000 -0.112 0.000 0.815 418 A HN 0.522 nan 8.150 nan 0.000 0.449 419 V N -0.499 119.363 119.914 -0.087 0.000 2.667 419 V HA -0.175 3.945 4.120 0.001 0.000 0.252 419 V C 2.519 178.426 176.094 -0.312 0.000 1.065 419 V CA 1.870 64.076 62.300 -0.156 0.000 1.083 419 V CB -0.806 30.988 31.823 -0.048 0.000 0.692 419 V HN 0.578 nan 8.190 nan 0.000 0.468 420 R N 0.887 121.201 120.500 -0.310 0.000 2.070 420 R HA -0.172 4.168 4.340 0.001 0.000 0.233 420 R C 2.632 178.703 176.300 -0.380 0.000 1.137 420 R CA 2.068 57.912 56.100 -0.426 0.000 0.945 420 R CB -0.296 29.822 30.300 -0.302 0.000 0.845 420 R HN 0.689 nan 8.270 nan 0.000 0.430 421 S N -0.633 114.905 115.700 -0.269 0.000 2.368 421 S HA -0.087 4.383 4.470 0.001 0.000 0.224 421 S C 1.990 176.460 174.600 -0.217 0.000 1.029 421 S CA 1.555 59.612 58.200 -0.238 0.000 0.988 421 S CB -0.554 62.546 63.200 -0.167 0.000 0.838 421 S HN 0.282 nan 8.310 nan 0.000 0.462 422 T N 2.888 117.326 114.554 -0.192 0.000 2.652 422 T HA -0.087 4.264 4.350 0.001 0.000 0.267 422 T C 1.975 176.561 174.700 -0.189 0.000 1.039 422 T CA 1.706 63.713 62.100 -0.155 0.000 1.153 422 T CB -0.739 68.044 68.868 -0.141 0.000 0.863 422 T HN 0.290 nan 8.240 nan 0.000 0.428 423 V N 1.552 121.304 119.914 -0.270 0.000 2.295 423 V HA -0.172 3.949 4.120 0.001 0.000 0.246 423 V C 2.782 178.698 176.094 -0.297 0.000 1.049 423 V CA 1.536 63.657 62.300 -0.298 0.000 1.024 423 V CB -0.550 31.026 31.823 -0.411 0.000 0.648 423 V HN 0.298 nan 8.190 nan 0.000 0.447 424 R N -0.104 120.146 120.500 -0.415 0.000 2.075 424 R HA -0.050 4.290 4.340 0.001 0.000 0.230 424 R C 2.255 178.413 176.300 -0.236 0.000 1.140 424 R CA 1.493 57.273 56.100 -0.533 0.000 0.928 424 R CB -0.894 28.961 30.300 -0.743 0.000 0.834 424 R HN 0.362 nan 8.270 nan 0.000 0.429 425 I N 0.407 120.865 120.570 -0.187 0.000 2.335 425 I HA -0.171 3.999 4.170 0.001 0.000 0.251 425 I C 2.345 178.431 176.117 -0.051 0.000 1.129 425 I CA 1.454 62.700 61.300 -0.089 0.000 1.402 425 I CB -1.685 36.270 38.000 -0.076 0.000 1.069 425 I HN 0.253 nan 8.210 nan 0.000 0.424 426 G N 1.306 110.063 108.800 -0.071 0.000 2.484 426 G HA2 -0.215 3.745 3.960 0.001 0.000 0.215 426 G HA3 -0.215 3.745 3.960 0.001 0.000 0.215 426 G C 1.760 176.652 174.900 -0.014 0.000 1.219 426 G CA 0.450 45.526 45.100 -0.039 0.000 0.791 426 G HN 0.345 nan 8.290 nan 0.000 0.550 427 L N 0.226 121.447 121.223 -0.004 0.000 2.189 427 L HA -0.033 4.307 4.340 0.001 0.000 0.214 427 L C 2.716 179.644 176.870 0.097 0.000 1.097 427 L CA 0.560 55.442 54.840 0.070 0.000 0.764 427 L CB -0.251 41.913 42.059 0.175 0.000 0.900 427 L HN 0.212 nan 8.230 nan 0.000 0.436 428 I N -0.829 119.801 120.570 0.099 0.000 2.761 428 I HA -0.202 3.968 4.170 0.001 0.000 0.261 428 I C 2.178 178.289 176.117 -0.010 0.000 1.198 428 I CA 0.857 62.190 61.300 0.055 0.000 1.482 428 I CB -0.032 37.996 38.000 0.048 0.000 1.100 428 I HN 0.383 nan 8.210 nan 0.000 0.445 429 Q N 0.373 120.166 119.800 -0.011 0.000 2.389 429 Q HA 0.117 4.457 4.340 0.001 0.000 0.204 429 Q C 1.305 177.277 176.000 -0.047 0.000 0.944 429 Q CA 0.762 56.550 55.803 -0.026 0.000 0.908 429 Q CB 0.389 29.121 28.738 -0.011 0.000 1.002 429 Q HN 0.557 nan 8.270 nan 0.000 0.493 430 G N 1.456 110.233 108.800 -0.038 0.000 2.135 430 G HA2 -0.146 3.814 3.960 0.001 0.000 0.183 430 G HA3 -0.146 3.814 3.960 0.001 0.000 0.183 430 G C -0.590 174.265 174.900 -0.074 0.000 1.004 430 G CA -0.492 44.573 45.100 -0.057 0.000 0.677 430 G HN 0.189 nan 8.290 nan 0.000 0.512 431 N N 0.433 119.104 118.700 -0.047 0.000 2.321 431 N HA 0.453 5.194 4.740 0.001 0.000 0.299 431 N C 0.320 175.820 175.510 -0.016 0.000 1.048 431 N CA -0.698 52.327 53.050 -0.041 0.000 0.836 431 N CB 1.257 39.743 38.487 -0.002 0.000 1.269 431 N HN 0.334 nan 8.380 nan 0.000 0.486 432 R N 0.393 120.887 120.500 -0.011 0.000 2.623 432 R HA 0.306 4.646 4.340 0.001 0.000 0.271 432 R C -0.221 176.066 176.300 -0.022 0.000 1.043 432 R CA -0.105 55.989 56.100 -0.010 0.000 1.083 432 R CB 0.439 30.741 30.300 0.003 0.000 0.974 432 R HN 0.236 nan 8.270 nan 0.000 0.436 433 V N 3.807 123.687 119.914 -0.057 0.000 2.823 433 V HA 0.420 4.540 4.120 0.001 0.000 0.312 433 V C -0.728 175.281 176.094 -0.142 0.000 1.072 433 V CA -0.918 61.326 62.300 -0.094 0.000 0.937 433 V CB 1.967 33.713 31.823 -0.129 0.000 1.013 433 V HN 0.405 nan 8.190 nan 0.000 0.430 434 L N 3.603 124.732 121.223 -0.158 0.000 2.354 434 L HA 0.776 5.116 4.340 0.001 0.000 0.269 434 L C -0.286 176.426 176.870 -0.264 0.000 1.005 434 L CA -0.412 54.301 54.840 -0.211 0.000 0.819 434 L CB 2.209 44.154 42.059 -0.189 0.000 1.311 434 L HN 0.545 nan 8.230 nan 0.000 0.423 435 V N 0.057 119.772 119.914 -0.331 0.000 2.769 435 V HA 0.857 4.978 4.120 0.001 0.000 0.312 435 V C -0.490 175.390 176.094 -0.358 0.000 1.058 435 V CA -0.903 61.181 62.300 -0.360 0.000 0.952 435 V CB 1.957 33.499 31.823 -0.469 0.000 1.019 435 V HN 0.378 nan 8.190 nan 0.000 0.445 436 V N 2.050 121.752 119.914 -0.353 0.000 2.577 436 V HA 0.432 4.552 4.120 0.001 0.000 0.303 436 V C -0.788 175.113 176.094 -0.322 0.000 1.042 436 V CA -0.511 61.617 62.300 -0.287 0.000 0.872 436 V CB 1.665 33.382 31.823 -0.176 0.000 0.998 436 V HN 1.012 nan 8.190 nan 0.000 0.423 437 H N 3.393 122.447 119.070 -0.027 0.000 2.548 437 H HA 0.343 4.900 4.556 0.001 0.000 0.331 437 H C -0.124 175.197 175.328 -0.011 0.000 1.093 437 H CA 0.157 56.202 56.048 -0.004 0.000 1.367 437 H CB 0.391 30.161 29.762 0.013 0.000 1.455 437 H HN 0.745 nan 8.280 nan 0.000 0.519 438 D N 2.962 123.416 120.400 0.090 0.000 3.357 438 D HA -0.195 4.445 4.640 0.001 0.000 0.238 438 D C 1.222 177.523 176.300 0.002 0.000 1.126 438 D CA 0.948 54.975 54.000 0.045 0.000 0.984 438 D CB -0.709 40.132 40.800 0.067 0.000 0.925 438 D HN 1.026 nan 8.370 nan 0.000 0.414 439 G N 1.134 109.895 108.800 -0.066 0.000 2.672 439 G HA2 -0.393 3.567 3.960 0.001 0.000 0.356 439 G HA3 -0.393 3.567 3.960 0.001 0.000 0.356 439 G C 0.896 175.692 174.900 -0.174 0.000 1.312 439 G CA 0.959 45.953 45.100 -0.178 0.000 0.980 439 G HN 0.463 nan 8.290 nan 0.000 0.540 440 F N 1.612 121.559 119.950 -0.004 0.000 2.325 440 F HA 0.059 4.586 4.527 0.001 0.000 0.299 440 F C 2.881 178.681 175.800 0.001 0.000 1.090 440 F CA 1.431 59.426 58.000 -0.009 0.000 1.392 440 F CB -0.031 38.954 39.000 -0.025 0.000 1.053 440 F HN 0.446 nan 8.300 nan 0.000 0.521 441 E N 0.224 120.528 120.200 0.173 0.000 2.267 441 E HA -0.173 4.178 4.350 0.001 0.000 0.197 441 E C 2.457 179.119 176.600 0.103 0.000 0.998 441 E CA 0.905 57.371 56.400 0.111 0.000 0.830 441 E CB -0.570 29.178 29.700 0.079 0.000 0.751 441 E HN 0.524 nan 8.360 nan 0.000 0.491 442 G N 2.442 111.297 108.800 0.090 0.000 2.453 442 G HA2 -0.201 3.759 3.960 0.001 0.000 0.215 442 G HA3 -0.201 3.759 3.960 0.001 0.000 0.215 442 G C -0.727 174.232 174.900 0.097 0.000 1.201 442 G CA 0.546 45.692 45.100 0.076 0.000 0.784 442 G HN 0.263 nan 8.290 nan 0.000 0.545 443 P HA 0.089 nan 4.420 nan 0.000 0.220 443 P C 2.124 179.515 177.300 0.152 0.000 1.152 443 P CA 1.558 64.747 63.100 0.148 0.000 0.812 443 P CB -0.062 31.742 31.700 0.174 0.000 0.792 444 A N 0.642 123.546 122.820 0.140 0.000 1.848 444 A HA -0.280 4.041 4.320 0.001 0.000 0.217 444 A C 1.947 179.591 177.584 0.099 0.000 1.220 444 A CA 2.080 54.177 52.037 0.100 0.000 0.645 444 A CB -1.328 17.722 19.000 0.083 0.000 0.842 444 A HN 0.106 nan 8.150 nan 0.000 0.451 445 K N -2.123 118.337 120.400 0.100 0.000 1.993 445 K HA 0.163 4.484 4.320 0.001 0.000 0.220 445 K C 1.363 178.047 176.600 0.140 0.000 1.014 445 K CA 1.141 57.487 56.287 0.100 0.000 1.028 445 K CB -0.381 32.172 32.500 0.089 0.000 0.862 445 K HN 0.572 nan 8.250 nan 0.000 0.446 446 G N -0.298 108.602 108.800 0.167 0.000 4.417 446 G HA2 -0.024 3.936 3.960 0.001 0.000 0.221 446 G HA3 -0.024 3.936 3.960 0.001 0.000 0.221 446 G C -0.680 174.364 174.900 0.239 0.000 1.003 446 G CA -0.407 44.857 45.100 0.273 0.000 0.832 446 G HN 0.186 nan 8.290 nan 0.000 0.356 447 Q N 1.522 121.411 119.800 0.148 0.000 3.107 447 Q HA 0.275 4.616 4.340 0.001 0.000 0.268 447 Q C -0.326 175.712 176.000 0.063 0.000 1.382 447 Q CA 0.389 56.277 55.803 0.142 0.000 0.927 447 Q CB 0.117 28.958 28.738 0.171 0.000 1.755 447 Q HN 0.232 nan 8.270 nan 0.000 0.545 448 I N 2.098 122.590 120.570 -0.129 0.000 2.498 448 I HA 0.325 4.495 4.170 0.001 0.000 0.290 448 I C -0.033 175.855 176.117 -0.382 0.000 1.032 448 I CA -0.870 60.176 61.300 -0.422 0.000 1.073 448 I CB 1.732 39.063 38.000 -1.114 0.000 1.251 448 I HN 0.410 nan 8.210 nan 0.000 0.426 449 E N 3.422 123.480 120.200 -0.237 0.000 2.331 449 E HA 0.520 4.871 4.350 0.001 0.000 0.275 449 E C -0.961 175.556 176.600 -0.139 0.000 0.895 449 E CA -0.934 55.400 56.400 -0.109 0.000 0.753 449 E CB 2.354 32.100 29.700 0.078 0.000 1.216 449 E HN 0.475 nan 8.360 nan 0.000 0.434 450 E N 1.897 122.052 120.200 -0.074 0.000 2.398 450 E HA 0.362 4.712 4.350 0.001 0.000 0.263 450 E C -1.330 175.210 176.600 -0.101 0.000 1.046 450 E CA -0.121 56.232 56.400 -0.078 0.000 0.908 450 E CB 1.002 30.699 29.700 -0.006 0.000 0.963 450 E HN 0.642 nan 8.360 nan 0.000 0.431 451 A N 3.328 126.039 122.820 -0.181 0.000 2.356 451 A HA 0.702 5.022 4.320 0.001 0.000 0.310 451 A C -0.043 177.494 177.584 -0.080 0.000 1.075 451 A CA -0.256 51.624 52.037 -0.261 0.000 0.746 451 A CB 1.515 20.072 19.000 -0.737 0.000 1.221 451 A HN 0.714 nan 8.150 nan 0.000 0.443 452 G N -0.038 108.811 108.800 0.082 0.000 2.521 452 G HA2 0.403 4.363 3.960 0.001 0.000 0.323 452 G HA3 0.403 4.363 3.960 0.001 0.000 0.323 452 G C 0.698 175.678 174.900 0.134 0.000 1.211 452 G CA -0.474 44.697 45.100 0.118 0.000 0.979 452 G HN 0.883 nan 8.290 nan 0.000 0.490 453 W N 0.665 121.957 121.300 -0.012 0.000 2.305 453 W HA -0.242 4.419 4.660 0.001 0.000 0.308 453 W C 2.241 178.750 176.519 -0.017 0.000 1.226 453 W CA 2.376 59.700 57.345 -0.033 0.000 1.253 453 W CB -0.568 28.875 29.460 -0.029 0.000 1.146 453 W HN 0.549 nan 8.180 nan 0.000 0.507 454 S N -0.592 115.261 115.700 0.256 0.000 2.383 454 S HA -0.299 4.171 4.470 0.001 0.000 0.227 454 S C 1.658 176.307 174.600 0.082 0.000 1.026 454 S CA 1.360 59.661 58.200 0.168 0.000 0.981 454 S CB -1.569 61.726 63.200 0.158 0.000 0.818 454 S HN 0.413 nan 8.310 nan 0.000 0.472 455 Y N 2.821 123.103 120.300 -0.030 0.000 2.096 455 Y HA -0.321 4.229 4.550 0.001 0.000 0.276 455 Y C 2.314 178.120 175.900 -0.156 0.000 1.209 455 Y CA 2.052 60.132 58.100 -0.033 0.000 1.137 455 Y CB -0.189 38.218 38.460 -0.089 0.000 0.956 455 Y HN 0.273 nan 8.280 nan 0.000 0.506 456 V N -2.471 117.246 119.914 -0.327 0.000 3.644 456 V HA 0.380 4.501 4.120 0.001 0.000 0.267 456 V C 1.281 177.017 176.094 -0.597 0.000 1.277 456 V CA 0.265 61.839 62.300 -1.210 0.000 1.096 456 V CB -0.873 30.187 31.823 -1.272 0.000 0.828 456 V HN 0.320 nan 8.190 nan 0.000 0.446 457 G N 0.616 109.288 108.800 -0.213 0.000 2.202 457 G HA2 0.408 4.368 3.960 0.001 0.000 0.251 457 G HA3 0.408 4.368 3.960 0.001 0.000 0.251 457 G C 1.085 176.081 174.900 0.160 0.000 1.219 457 G CA 0.808 45.883 45.100 -0.043 0.000 0.943 457 G HN 1.375 nan 8.290 nan 0.000 0.465 458 G N 2.571 111.475 108.800 0.172 0.000 2.799 458 G HA2 -0.255 3.705 3.960 0.001 0.000 0.200 458 G HA3 -0.255 3.705 3.960 0.001 0.000 0.200 458 G C 1.136 176.203 174.900 0.278 0.000 1.206 458 G CA 0.553 45.785 45.100 0.221 0.000 0.827 458 G HN 0.572 nan 8.290 nan 0.000 0.511 459 W N 1.713 122.987 121.300 -0.043 0.000 2.290 459 W HA -0.050 4.610 4.660 0.001 0.000 0.318 459 W C 2.831 179.322 176.519 -0.047 0.000 1.248 459 W CA 2.809 60.130 57.345 -0.040 0.000 1.263 459 W CB -1.647 27.791 29.460 -0.037 0.000 1.147 459 W HN 0.574 nan 8.180 nan 0.000 0.494 460 T N -0.318 114.357 114.554 0.201 0.000 2.656 460 T HA -0.290 4.061 4.350 0.001 0.000 0.262 460 T C 1.932 176.663 174.700 0.051 0.000 1.070 460 T CA 3.153 65.300 62.100 0.080 0.000 1.160 460 T CB -0.928 67.952 68.868 0.020 0.000 0.855 460 T HN 0.237 nan 8.240 nan 0.000 0.456 461 G N 0.937 109.760 108.800 0.038 0.000 2.623 461 G HA2 0.129 4.090 3.960 0.001 0.000 0.214 461 G HA3 0.129 4.090 3.960 0.001 0.000 0.214 461 G C 0.547 175.447 174.900 -0.000 0.000 1.138 461 G CA -0.061 45.044 45.100 0.007 0.000 0.794 461 G HN 0.761 nan 8.290 nan 0.000 0.535 462 Q N 1.136 120.938 119.800 0.004 0.000 2.293 462 Q HA 0.466 4.806 4.340 0.001 0.000 0.263 462 Q C 0.768 176.751 176.000 -0.028 0.000 1.002 462 Q CA -0.369 55.416 55.803 -0.030 0.000 0.910 462 Q CB 1.183 29.875 28.738 -0.077 0.000 1.185 462 Q HN 0.129 nan 8.270 nan 0.000 0.401 463 G N 2.117 110.900 108.800 -0.028 0.000 2.647 463 G HA2 0.385 4.345 3.960 0.001 0.000 0.271 463 G HA3 0.385 4.345 3.960 0.001 0.000 0.271 463 G C 0.504 175.386 174.900 -0.029 0.000 1.300 463 G CA -0.022 45.067 45.100 -0.017 0.000 0.997 463 G HN 0.969 nan 8.290 nan 0.000 0.533 464 G N -1.255 107.538 108.800 -0.012 0.000 2.682 464 G HA2 -0.048 3.912 3.960 0.001 0.000 0.256 464 G HA3 -0.048 3.912 3.960 0.001 0.000 0.256 464 G C 0.928 175.815 174.900 -0.020 0.000 1.333 464 G CA 0.605 45.697 45.100 -0.014 0.000 0.904 464 G HN 1.442 nan 8.290 nan 0.000 0.569 465 S N -1.491 114.196 115.700 -0.023 0.000 2.136 465 S HA 0.543 5.014 4.470 0.001 0.000 0.205 465 S C 1.355 175.913 174.600 -0.069 0.000 1.346 465 S CA 1.614 59.801 58.200 -0.021 0.000 1.084 465 S CB 0.191 63.385 63.200 -0.009 0.000 0.767 465 S HN 1.083 nan 8.310 nan 0.000 0.423 466 K N -1.704 118.647 120.400 -0.081 0.000 1.004 466 K HA 0.069 4.389 4.320 0.001 0.000 0.064 466 K C 0.998 177.539 176.600 -0.098 0.000 2.405 466 K CA 0.268 56.428 56.287 -0.210 0.000 0.969 466 K CB -1.157 31.051 32.500 -0.488 0.000 2.678 466 K HN 0.455 nan 8.250 nan 0.000 0.315 467 L N 0.477 121.718 121.223 0.029 0.000 2.470 467 L HA 0.295 4.635 4.340 0.001 0.000 0.219 467 L C 0.566 177.503 176.870 0.112 0.000 1.071 467 L CA 0.911 55.809 54.840 0.097 0.000 0.850 467 L CB 0.875 42.966 42.059 0.052 0.000 1.040 467 L HN 0.361 nan 8.230 nan 0.000 0.475 468 G N 0.015 108.848 108.800 0.054 0.000 3.055 468 G HA2 0.008 3.968 3.960 0.001 0.000 0.685 468 G HA3 0.008 3.968 3.960 0.001 0.000 0.685 468 G C -0.542 174.367 174.900 0.014 0.000 1.212 468 G CA -0.333 44.796 45.100 0.048 0.000 0.822 468 G HN 0.162 nan 8.290 nan 0.000 0.610 469 S N 0.505 116.210 115.700 0.009 0.000 2.721 469 S HA 0.711 5.181 4.470 0.001 0.000 0.264 469 S C -0.615 173.991 174.600 0.010 0.000 1.161 469 S CA -0.903 57.294 58.200 -0.004 0.000 1.113 469 S CB 2.158 65.352 63.200 -0.009 0.000 1.079 469 S HN 0.832 nan 8.310 nan 0.000 0.479 470 K N 2.072 122.479 120.400 0.013 0.000 2.123 470 K HA 0.469 4.789 4.320 0.001 0.000 0.259 470 K C 0.946 177.574 176.600 0.047 0.000 0.960 470 K CA -1.125 55.181 56.287 0.032 0.000 0.872 470 K CB 0.915 33.438 32.500 0.038 0.000 1.079 470 K HN 0.730 nan 8.250 nan 0.000 0.440 471 R N 0.686 121.224 120.500 0.063 0.000 2.363 471 R HA 0.083 4.424 4.340 0.001 0.000 0.236 471 R C -0.076 176.294 176.300 0.117 0.000 0.966 471 R CA -0.142 56.013 56.100 0.092 0.000 1.100 471 R CB -0.710 29.646 30.300 0.094 0.000 1.125 471 R HN 0.584 nan 8.270 nan 0.000 0.514 472 T N -0.671 113.950 114.554 0.112 0.000 2.901 472 T HA 0.276 4.627 4.350 0.001 0.000 0.301 472 T C 0.371 175.173 174.700 0.170 0.000 1.012 472 T CA -0.659 61.502 62.100 0.102 0.000 1.135 472 T CB 0.964 69.873 68.868 0.069 0.000 0.936 472 T HN 0.134 nan 8.240 nan 0.000 0.539 473 L N 5.165 126.418 121.223 0.051 0.000 2.439 473 L HA 0.320 4.660 4.340 0.001 0.000 0.261 473 L C -0.693 175.982 176.870 -0.325 0.000 1.153 473 L CA -2.159 52.627 54.840 -0.089 0.000 0.808 473 L CB 1.057 43.040 42.059 -0.127 0.000 1.126 473 L HN 0.601 nan 8.230 nan 0.000 0.460 474 P HA -0.098 nan 4.420 nan 0.000 0.221 474 P C 1.265 177.977 177.300 -0.979 0.000 1.155 474 P CA 0.828 63.442 63.100 -0.810 0.000 0.812 474 P CB 0.252 31.262 31.700 -1.151 0.000 0.801 475 K N 2.283 121.893 120.400 -1.317 0.000 2.005 475 K HA -0.219 4.101 4.320 0.001 0.000 0.229 475 K C 1.920 177.856 176.600 -1.106 0.000 1.050 475 K CA 3.054 58.224 56.287 -1.862 0.000 0.994 475 K CB -0.590 31.388 32.500 -0.870 0.000 0.736 475 K HN 0.097 nan 8.250 nan 0.000 0.448 476 K N -0.189 119.877 120.400 -0.556 0.000 2.675 476 K HA -0.032 4.289 4.320 0.001 0.000 0.194 476 K C 0.288 176.753 176.600 -0.226 0.000 1.029 476 K CA 1.411 57.521 56.287 -0.295 0.000 0.980 476 K CB 0.188 32.577 32.500 -0.185 0.000 0.803 476 K HN 0.022 nan 8.250 nan 0.000 0.493 477 S N -0.412 115.108 115.700 -0.300 0.000 2.893 477 S HA 0.255 4.725 4.470 0.001 0.000 0.258 477 S C 0.600 175.142 174.600 -0.096 0.000 1.034 477 S CA -0.779 57.335 58.200 -0.144 0.000 1.167 477 S CB -0.179 62.961 63.200 -0.099 0.000 1.137 477 S HN 0.311 nan 8.310 nan 0.000 0.650 478 F N 2.191 121.934 119.950 -0.346 0.000 2.147 478 F HA -0.235 4.293 4.527 0.001 0.000 0.301 478 F C 2.658 178.085 175.800 -0.621 0.000 1.084 478 F CA 1.163 58.770 58.000 -0.656 0.000 1.268 478 F CB 0.102 38.408 39.000 -1.156 0.000 1.009 478 F HN 0.279 nan 8.300 nan 0.000 0.486 479 E N 0.710 120.852 120.200 -0.097 0.000 2.110 479 E HA -0.220 4.130 4.350 0.001 0.000 0.193 479 E C 1.819 178.469 176.600 0.084 0.000 0.988 479 E CA 1.549 58.029 56.400 0.135 0.000 0.804 479 E CB -0.043 29.776 29.700 0.200 0.000 0.745 479 E HN 0.384 nan 8.360 nan 0.000 0.458 480 Q N -0.574 119.251 119.800 0.041 0.000 2.200 480 Q HA 0.115 4.455 4.340 0.001 0.000 0.197 480 Q C 2.242 178.276 176.000 0.056 0.000 0.953 480 Q CA 1.096 56.930 55.803 0.051 0.000 0.851 480 Q CB -0.388 28.379 28.738 0.048 0.000 0.938 480 Q HN 0.503 nan 8.270 nan 0.000 0.488 481 I N -0.027 120.569 120.570 0.045 0.000 2.423 481 I HA -0.243 3.927 4.170 0.001 0.000 0.254 481 I C 1.814 177.964 176.117 0.055 0.000 1.151 481 I CA 1.908 63.251 61.300 0.072 0.000 1.421 481 I CB -0.695 37.355 38.000 0.083 0.000 1.079 481 I HN 0.147 nan 8.210 nan 0.000 0.431 482 S N 1.496 117.203 115.700 0.012 0.000 2.357 482 S HA 0.073 4.543 4.470 0.001 0.000 0.221 482 S C 2.279 176.921 174.600 0.070 0.000 1.031 482 S CA 0.629 58.847 58.200 0.031 0.000 0.982 482 S CB -1.325 61.902 63.200 0.044 0.000 0.853 482 S HN 0.642 nan 8.310 nan 0.000 0.458 483 A N 2.981 125.845 122.820 0.073 0.000 1.917 483 A HA -0.187 4.133 4.320 0.001 0.000 0.219 483 A C 2.200 179.807 177.584 0.040 0.000 1.182 483 A CA 1.894 53.965 52.037 0.057 0.000 0.633 483 A CB -0.962 18.068 19.000 0.050 0.000 0.819 483 A HN 0.546 nan 8.150 nan 0.000 0.448 484 N N 0.137 118.880 118.700 0.071 0.000 2.062 484 N HA -0.154 4.587 4.740 0.001 0.000 0.191 484 N C 1.757 177.368 175.510 0.168 0.000 1.042 484 N CA 1.802 54.924 53.050 0.120 0.000 0.845 484 N CB -0.617 38.003 38.487 0.221 0.000 1.024 484 N HN 0.682 nan 8.380 nan 0.000 0.424 485 I N -0.077 120.585 120.570 0.153 0.000 2.479 485 I HA -0.192 3.978 4.170 0.001 0.000 0.258 485 I C 1.734 177.925 176.117 0.123 0.000 1.165 485 I CA 1.552 62.941 61.300 0.148 0.000 1.422 485 I CB -0.867 37.195 38.000 0.103 0.000 1.087 485 I HN -0.076 nan 8.210 nan 0.000 0.441 486 T N 0.481 115.085 114.554 0.084 0.000 2.770 486 T HA -0.091 4.259 4.350 0.001 0.000 0.258 486 T C 1.792 176.506 174.700 0.025 0.000 1.039 486 T CA 1.549 63.684 62.100 0.058 0.000 1.143 486 T CB -0.194 68.700 68.868 0.043 0.000 0.866 486 T HN 0.446 nan 8.240 nan 0.000 0.428 487 K N 0.337 120.705 120.400 -0.053 0.000 2.032 487 K HA -0.035 4.285 4.320 0.001 0.000 0.209 487 K C 1.560 178.055 176.600 -0.175 0.000 1.048 487 K CA 1.484 57.661 56.287 -0.184 0.000 0.927 487 K CB -0.277 31.989 32.500 -0.391 0.000 0.712 487 K HN 0.349 nan 8.250 nan 0.000 0.441 488 F N 0.801 120.776 119.950 0.042 0.000 2.811 488 F HA 0.032 4.560 4.527 0.001 0.000 0.301 488 F C 0.618 176.442 175.800 0.040 0.000 1.151 488 F CA 0.022 58.045 58.000 0.039 0.000 1.412 488 F CB -0.108 38.914 39.000 0.037 0.000 1.113 488 F HN 0.234 nan 8.300 nan 0.000 0.579 489 N N 1.219 120.031 118.700 0.186 0.000 2.721 489 N HA -0.221 4.519 4.740 0.001 0.000 0.249 489 N C -0.406 175.188 175.510 0.140 0.000 1.072 489 N CA 0.109 53.242 53.050 0.139 0.000 0.710 489 N CB -1.166 37.393 38.487 0.119 0.000 0.993 489 N HN 0.059 nan 8.380 nan 0.000 0.547 490 I N 0.951 121.615 120.570 0.157 0.000 2.668 490 I HA -0.099 4.072 4.170 0.001 0.000 0.285 490 I C 1.481 177.657 176.117 0.098 0.000 1.168 490 I CA 0.862 62.233 61.300 0.120 0.000 1.424 490 I CB 0.740 38.813 38.000 0.122 0.000 1.377 490 I HN 0.446 nan 8.210 nan 0.000 0.560 491 Q N 4.150 123.999 119.800 0.083 0.000 2.353 491 Q HA 0.251 4.591 4.340 0.001 0.000 0.240 491 Q C 0.873 176.903 176.000 0.049 0.000 0.868 491 Q CA 0.033 55.872 55.803 0.060 0.000 0.944 491 Q CB 1.314 30.078 28.738 0.043 0.000 1.104 491 Q HN 0.857 nan 8.270 nan 0.000 0.531 492 G N 0.349 109.191 108.800 0.070 0.000 3.105 492 G HA2 0.714 4.674 3.960 0.001 0.000 0.277 492 G HA3 0.714 4.674 3.960 0.001 0.000 0.277 492 G C -1.920 173.053 174.900 0.121 0.000 1.375 492 G CA -0.420 44.738 45.100 0.097 0.000 0.962 492 G HN -0.017 nan 8.290 nan 0.000 0.541 493 L N -0.573 120.750 121.223 0.166 0.000 2.641 493 L HA 0.519 4.859 4.340 0.001 0.000 0.261 493 L C -1.153 175.811 176.870 0.157 0.000 0.926 493 L CA -0.380 54.549 54.840 0.148 0.000 0.917 493 L CB 2.316 44.489 42.059 0.191 0.000 1.361 493 L HN 0.399 nan 8.230 nan 0.000 0.417 494 V N 5.666 125.620 119.914 0.066 0.000 2.378 494 V HA 0.524 4.644 4.120 0.001 0.000 0.288 494 V C -0.177 175.905 176.094 -0.021 0.000 1.016 494 V CA -0.347 61.974 62.300 0.036 0.000 0.840 494 V CB 1.688 33.508 31.823 -0.004 0.000 0.994 494 V HN 0.519 nan 8.190 nan 0.000 0.431 495 I N 6.276 126.841 120.570 -0.009 0.000 2.388 495 I HA 0.430 4.600 4.170 0.001 0.000 0.281 495 I C -0.360 175.717 176.117 -0.066 0.000 1.046 495 I CA -0.151 61.106 61.300 -0.071 0.000 1.187 495 I CB 1.039 39.012 38.000 -0.044 0.000 1.351 495 I HN 0.450 nan 8.210 nan 0.000 0.472 496 I N 5.640 126.156 120.570 -0.089 0.000 2.342 496 I HA 0.682 4.852 4.170 0.001 0.000 0.291 496 I C 0.801 176.878 176.117 -0.067 0.000 1.010 496 I CA 0.085 61.336 61.300 -0.082 0.000 1.308 496 I CB 1.169 39.118 38.000 -0.084 0.000 1.400 496 I HN 0.712 nan 8.210 nan 0.000 0.488 497 G N 3.543 112.318 108.800 -0.041 0.000 2.321 497 G HA2 0.491 4.451 3.960 0.001 0.000 0.296 497 G HA3 0.491 4.451 3.960 0.001 0.000 0.296 497 G C -0.787 174.135 174.900 0.036 0.000 1.287 497 G CA -0.121 44.976 45.100 -0.006 0.000 0.846 497 G HN 0.750 nan 8.290 nan 0.000 0.508 498 G N -1.305 107.548 108.800 0.088 0.000 2.940 498 G HA2 0.470 4.431 3.960 0.001 0.000 0.164 498 G HA3 0.470 4.431 3.960 0.001 0.000 0.164 498 G C 0.871 175.907 174.900 0.226 0.000 1.326 498 G CA 0.192 45.379 45.100 0.145 0.000 1.020 498 G HN 0.669 nan 8.290 nan 0.000 0.586 499 F N 0.389 120.421 119.950 0.136 0.000 2.154 499 F HA -0.105 4.423 4.527 0.001 0.000 0.301 499 F C 2.530 178.465 175.800 0.226 0.000 1.087 499 F CA 1.942 60.066 58.000 0.207 0.000 1.274 499 F CB 0.293 39.403 39.000 0.183 0.000 1.009 499 F HN 0.302 nan 8.300 nan 0.000 0.485 500 E N -0.206 120.262 120.200 0.447 0.000 2.516 500 E HA -0.010 4.340 4.350 0.001 0.000 0.199 500 E C 1.609 178.363 176.600 0.256 0.000 1.069 500 E CA 0.655 57.255 56.400 0.333 0.000 0.876 500 E CB -0.203 29.643 29.700 0.243 0.000 0.843 500 E HN 0.451 nan 8.360 nan 0.000 0.530 501 A N -0.759 122.193 122.820 0.220 0.000 2.085 501 A HA 0.002 4.322 4.320 0.001 0.000 0.208 501 A C 1.767 179.476 177.584 0.207 0.000 1.191 501 A CA 0.156 52.300 52.037 0.178 0.000 0.799 501 A CB -0.261 18.790 19.000 0.084 0.000 0.877 501 A HN 0.363 nan 8.150 nan 0.000 0.473 502 Y N 0.586 120.904 120.300 0.030 0.000 2.153 502 Y HA -0.049 4.502 4.550 0.001 0.000 0.289 502 Y C 2.353 178.272 175.900 0.033 0.000 1.119 502 Y CA 2.190 60.281 58.100 -0.014 0.000 1.116 502 Y CB -0.947 37.388 38.460 -0.208 0.000 1.004 502 Y HN 0.166 nan 8.280 nan 0.000 0.501 503 T N 0.089 114.473 114.554 -0.282 0.000 2.760 503 T HA -0.170 4.181 4.350 0.001 0.000 0.269 503 T C 1.705 176.341 174.700 -0.108 0.000 1.047 503 T CA 1.753 63.703 62.100 -0.249 0.000 1.139 503 T CB -0.927 68.022 68.868 0.134 0.000 0.855 503 T HN 0.613 nan 8.240 nan 0.000 0.471 504 G N -0.710 108.096 108.800 0.010 0.000 3.042 504 G HA2 0.290 4.250 3.960 0.001 0.000 0.212 504 G HA3 0.290 4.250 3.960 0.001 0.000 0.212 504 G C 1.431 176.283 174.900 -0.080 0.000 1.166 504 G CA 0.590 45.674 45.100 -0.027 0.000 0.767 504 G HN 0.531 nan 8.290 nan 0.000 0.546 505 G N 1.043 109.819 108.800 -0.039 0.000 2.396 505 G HA2 -0.069 3.891 3.960 0.001 0.000 0.214 505 G HA3 -0.069 3.891 3.960 0.001 0.000 0.214 505 G C 1.682 176.601 174.900 0.031 0.000 1.166 505 G CA 0.307 45.336 45.100 -0.118 0.000 0.793 505 G HN 0.367 nan 8.290 nan 0.000 0.533 506 L N 0.270 121.500 121.223 0.011 0.000 1.989 506 L HA -0.126 4.215 4.340 0.001 0.000 0.211 506 L C 2.960 179.834 176.870 0.007 0.000 1.071 506 L CA 1.520 56.361 54.840 0.002 0.000 0.749 506 L CB -0.502 41.472 42.059 -0.141 0.000 0.890 506 L HN 0.301 nan 8.230 nan 0.000 0.431 507 E N 0.093 120.270 120.200 -0.038 0.000 2.049 507 E HA -0.273 4.078 4.350 0.001 0.000 0.198 507 E C 2.329 179.042 176.600 0.189 0.000 1.007 507 E CA 1.404 57.828 56.400 0.039 0.000 0.809 507 E CB -0.276 29.366 29.700 -0.096 0.000 0.749 507 E HN 0.456 nan 8.360 nan 0.000 0.450 508 L N 0.259 121.494 121.223 0.019 0.000 2.013 508 L HA -0.269 4.071 4.340 0.001 0.000 0.212 508 L C 2.698 179.561 176.870 -0.012 0.000 1.073 508 L CA 0.908 55.691 54.840 -0.096 0.000 0.753 508 L CB -0.409 41.436 42.059 -0.357 0.000 0.890 508 L HN 0.251 nan 8.230 nan 0.000 0.432 509 M N -0.541 119.142 119.600 0.139 0.000 2.226 509 M HA -0.260 4.221 4.480 0.001 0.000 0.257 509 M C 2.248 178.584 176.300 0.061 0.000 1.070 509 M CA 1.764 57.156 55.300 0.153 0.000 1.087 509 M CB -1.219 31.479 32.600 0.164 0.000 1.278 509 M HN 0.182 nan 8.290 nan 0.000 0.426 510 E N -0.166 120.076 120.200 0.070 0.000 2.037 510 E HA -0.194 4.157 4.350 0.001 0.000 0.214 510 E C 1.982 178.612 176.600 0.050 0.000 1.041 510 E CA 1.859 58.304 56.400 0.075 0.000 0.872 510 E CB -1.298 28.471 29.700 0.116 0.000 0.785 510 E HN 0.634 nan 8.360 nan 0.000 0.476 511 G N 0.774 109.579 108.800 0.007 0.000 2.743 511 G HA2 -0.357 3.603 3.960 0.001 0.000 0.222 511 G HA3 -0.357 3.603 3.960 0.001 0.000 0.222 511 G C 1.637 176.485 174.900 -0.086 0.000 1.085 511 G CA 1.142 46.129 45.100 -0.188 0.000 0.716 511 G HN 0.192 nan 8.290 nan 0.000 0.604 512 R N -0.114 120.337 120.500 -0.082 0.000 2.189 512 R HA 0.012 4.352 4.340 0.001 0.000 0.223 512 R C 2.490 178.798 176.300 0.013 0.000 1.092 512 R CA 1.291 57.366 56.100 -0.040 0.000 0.989 512 R CB -0.054 30.223 30.300 -0.040 0.000 0.876 512 R HN 0.382 nan 8.270 nan 0.000 0.457 513 K N -0.453 119.966 120.400 0.031 0.000 1.991 513 K HA -0.142 4.179 4.320 0.001 0.000 0.207 513 K C 2.165 178.773 176.600 0.013 0.000 1.045 513 K CA 1.393 57.700 56.287 0.033 0.000 0.937 513 K CB -0.035 32.486 32.500 0.036 0.000 0.720 513 K HN -0.006 nan 8.250 nan 0.000 0.438 514 Q N 0.032 119.836 119.800 0.007 0.000 1.994 514 Q HA 0.009 4.350 4.340 0.001 0.000 0.198 514 Q C 0.038 175.863 176.000 -0.292 0.000 0.976 514 Q CA 1.299 57.000 55.803 -0.169 0.000 0.828 514 Q CB 0.005 28.589 28.738 -0.257 0.000 0.894 514 Q HN 0.088 nan 8.270 nan 0.000 0.432 515 F N 1.416 121.318 119.950 -0.080 0.000 2.394 515 F HA 0.157 4.684 4.527 0.001 0.000 0.340 515 F C 0.998 176.760 175.800 -0.062 0.000 1.105 515 F CA -0.936 57.017 58.000 -0.078 0.000 1.124 515 F CB 0.681 39.594 39.000 -0.144 0.000 1.145 515 F HN 0.167 nan 8.300 nan 0.000 0.505 516 D N 0.590 121.076 120.400 0.144 0.000 2.349 516 D HA -0.026 4.614 4.640 0.001 0.000 0.214 516 D C 0.864 177.233 176.300 0.116 0.000 1.063 516 D CA 0.415 54.498 54.000 0.138 0.000 0.847 516 D CB 0.100 41.008 40.800 0.180 0.000 0.933 516 D HN 0.482 nan 8.370 nan 0.000 0.513 517 E N 1.052 121.318 120.200 0.111 0.000 2.072 517 E HA 0.060 4.410 4.350 0.001 0.000 0.190 517 E C 2.167 178.784 176.600 0.029 0.000 0.982 517 E CA 0.398 56.845 56.400 0.078 0.000 0.803 517 E CB -0.267 29.483 29.700 0.082 0.000 0.755 517 E HN 0.272 nan 8.360 nan 0.000 0.453 518 L N 0.146 121.359 121.223 -0.018 0.000 2.551 518 L HA -0.119 4.221 4.340 0.001 0.000 0.230 518 L C 0.542 177.383 176.870 -0.048 0.000 1.163 518 L CA 0.092 54.883 54.840 -0.082 0.000 0.826 518 L CB -0.465 41.450 42.059 -0.240 0.000 0.943 518 L HN 0.159 nan 8.230 nan 0.000 0.452 519 C N 2.204 121.463 119.300 -0.067 0.000 3.506 519 C HA 0.262 4.723 4.460 0.001 0.000 0.578 519 C C 0.909 175.812 174.990 -0.144 0.000 1.153 519 C CA -0.739 58.170 59.018 -0.183 0.000 1.248 519 C CB -2.352 25.156 27.740 -0.386 0.000 1.532 519 C HN 0.261 nan 8.230 nan 0.000 0.646 520 I N -2.077 118.474 120.570 -0.033 0.000 2.934 520 I HA 0.649 4.820 4.170 0.001 0.000 0.306 520 I C -2.969 173.192 176.117 0.074 0.000 1.110 520 I CA -2.864 58.440 61.300 0.007 0.000 1.019 520 I CB 1.537 39.571 38.000 0.057 0.000 1.227 520 I HN -0.163 nan 8.210 nan 0.000 0.434 521 P HA 0.346 nan 4.420 nan 0.000 0.275 521 P C -1.298 176.171 177.300 0.282 0.000 1.228 521 P CA 0.098 63.236 63.100 0.064 0.000 0.786 521 P CB 0.293 31.966 31.700 -0.045 0.000 0.927 522 F N -0.198 119.926 119.950 0.291 0.000 2.615 522 F HA 0.662 5.189 4.527 0.001 0.000 0.312 522 F C -1.723 174.182 175.800 0.176 0.000 1.119 522 F CA -1.311 56.824 58.000 0.225 0.000 0.979 522 F CB 0.820 39.909 39.000 0.149 0.000 1.266 522 F HN -0.000 nan 8.300 nan 0.000 0.444 523 V N 2.824 122.883 119.914 0.241 0.000 2.769 523 V HA 0.695 4.815 4.120 0.001 0.000 0.312 523 V C -0.658 175.488 176.094 0.087 0.000 1.058 523 V CA -1.088 61.181 62.300 -0.052 0.000 0.952 523 V CB 1.714 33.410 31.823 -0.211 0.000 1.019 523 V HN 0.765 nan 8.190 nan 0.000 0.445 524 V N 4.624 124.541 119.914 0.005 0.000 2.325 524 V HA 0.406 4.526 4.120 0.001 0.000 0.280 524 V C -0.128 175.903 176.094 -0.104 0.000 1.016 524 V CA -0.234 62.079 62.300 0.021 0.000 0.818 524 V CB 1.305 33.201 31.823 0.122 0.000 1.019 524 V HN 0.683 nan 8.190 nan 0.000 0.434 525 I N 8.311 128.807 120.570 -0.123 0.000 2.347 525 I HA 0.224 4.394 4.170 0.001 0.000 0.294 525 I C -1.869 174.157 176.117 -0.152 0.000 1.090 525 I CA -1.574 59.613 61.300 -0.188 0.000 1.314 525 I CB 1.276 39.163 38.000 -0.188 0.000 1.423 525 I HN 0.376 nan 8.210 nan 0.000 0.503 526 P HA 0.106 nan 4.420 nan 0.000 0.269 526 P C -0.672 176.582 177.300 -0.078 0.000 1.263 526 P CA -0.121 62.924 63.100 -0.092 0.000 0.813 526 P CB 0.753 32.409 31.700 -0.073 0.000 0.868 527 A N 3.237 126.037 122.820 -0.033 0.000 2.394 527 A HA 0.605 4.925 4.320 0.001 0.000 0.333 527 A C -0.084 177.531 177.584 0.052 0.000 1.397 527 A CA -0.492 51.541 52.037 -0.006 0.000 0.884 527 A CB 0.494 19.478 19.000 -0.027 0.000 1.147 527 A HN 0.442 nan 8.150 nan 0.000 0.505 528 T N 1.558 116.163 114.554 0.085 0.000 3.291 528 T HA 0.241 4.591 4.350 0.001 0.000 0.344 528 T C 0.894 175.669 174.700 0.126 0.000 1.293 528 T CA -0.172 61.992 62.100 0.107 0.000 1.108 528 T CB 1.044 69.989 68.868 0.129 0.000 1.231 528 T HN 0.443 nan 8.240 nan 0.000 0.474 529 V N 3.738 123.719 119.914 0.112 0.000 2.439 529 V HA -0.158 3.963 4.120 0.001 0.000 0.253 529 V C 2.331 178.507 176.094 0.138 0.000 1.074 529 V CA 2.758 65.126 62.300 0.113 0.000 1.076 529 V CB -0.445 31.422 31.823 0.074 0.000 0.664 529 V HN 0.956 nan 8.190 nan 0.000 0.461 530 S N -1.651 114.129 115.700 0.133 0.000 2.524 530 S HA 0.057 4.527 4.470 0.001 0.000 0.216 530 S C 0.952 175.651 174.600 0.166 0.000 0.987 530 S CA 0.363 58.655 58.200 0.153 0.000 0.909 530 S CB -0.378 62.896 63.200 0.123 0.000 0.781 530 S HN 0.732 nan 8.310 nan 0.000 0.521 531 N N 2.227 121.001 118.700 0.124 0.000 2.756 531 N HA -0.168 4.572 4.740 0.001 0.000 0.248 531 N C -0.179 175.394 175.510 0.104 0.000 1.062 531 N CA 0.654 53.725 53.050 0.035 0.000 0.696 531 N CB -0.786 37.519 38.487 -0.303 0.000 0.946 531 N HN 0.685 nan 8.380 nan 0.000 0.548 532 N N -1.092 117.712 118.700 0.173 0.000 2.184 532 N HA 0.061 4.801 4.740 0.001 0.000 0.206 532 N C 0.096 175.774 175.510 0.280 0.000 1.151 532 N CA 0.025 53.220 53.050 0.240 0.000 0.878 532 N CB 0.333 38.973 38.487 0.256 0.000 1.014 532 N HN 0.021 nan 8.380 nan 0.000 0.512 533 V N 2.155 122.164 119.914 0.159 0.000 2.775 533 V HA 0.282 4.402 4.120 0.001 0.000 0.299 533 V C -2.000 173.993 176.094 -0.170 0.000 1.062 533 V CA -0.946 61.354 62.300 -0.001 0.000 1.063 533 V CB 1.159 32.959 31.823 -0.037 0.000 0.994 533 V HN 0.142 nan 8.190 nan 0.000 0.483 534 P HA 0.482 nan 4.420 nan 0.000 0.282 534 P C 0.486 177.587 177.300 -0.331 0.000 1.259 534 P CA 0.396 63.269 63.100 -0.378 0.000 0.826 534 P CB 1.225 32.623 31.700 -0.504 0.000 1.064 535 G N -0.504 108.177 108.800 -0.197 0.000 2.141 535 G HA2 -0.146 3.814 3.960 0.001 0.000 0.242 535 G HA3 -0.146 3.814 3.960 0.001 0.000 0.242 535 G C 0.138 174.967 174.900 -0.119 0.000 0.982 535 G CA 0.252 45.260 45.100 -0.152 0.000 0.662 535 G HN 0.785 nan 8.290 nan 0.000 0.527 536 S N -1.133 114.511 115.700 -0.094 0.000 2.556 536 S HA 0.582 5.052 4.470 0.001 0.000 0.271 536 S C 0.132 174.689 174.600 -0.071 0.000 1.135 536 S CA 0.161 58.322 58.200 -0.065 0.000 0.858 536 S CB 1.360 64.550 63.200 -0.017 0.000 1.114 536 S HN 0.025 nan 8.310 nan 0.000 0.468 537 D N 1.473 121.743 120.400 -0.217 0.000 2.333 537 D HA 0.252 4.892 4.640 0.001 0.000 0.208 537 D C -0.303 175.628 176.300 -0.615 0.000 0.984 537 D CA 0.994 54.750 54.000 -0.406 0.000 0.873 537 D CB 0.145 40.217 40.800 -1.214 0.000 0.935 537 D HN 0.441 nan 8.370 nan 0.000 0.521 538 F N -0.163 119.920 119.950 0.222 0.000 2.613 538 F HA 0.323 4.851 4.527 0.001 0.000 0.310 538 F C -0.094 175.917 175.800 0.352 0.000 1.085 538 F CA -1.150 57.005 58.000 0.259 0.000 0.945 538 F CB 1.919 41.091 39.000 0.286 0.000 1.298 538 F HN -0.370 nan 8.300 nan 0.000 0.455 539 S N 0.181 116.190 115.700 0.514 0.000 2.568 539 S HA 0.726 5.196 4.470 0.001 0.000 0.293 539 S C -0.936 173.869 174.600 0.341 0.000 1.089 539 S CA -0.985 57.405 58.200 0.316 0.000 0.945 539 S CB 1.747 65.047 63.200 0.166 0.000 1.077 539 S HN 0.407 nan 8.310 nan 0.000 0.485 540 V N 2.012 121.985 119.914 0.098 0.000 2.901 540 V HA 0.379 4.499 4.120 0.001 0.000 0.307 540 V C 1.754 177.940 176.094 0.152 0.000 1.084 540 V CA 1.755 64.109 62.300 0.089 0.000 1.184 540 V CB 0.111 31.879 31.823 -0.093 0.000 0.941 540 V HN 1.640 nan 8.190 nan 0.000 0.493 541 G N 3.264 112.171 108.800 0.178 0.000 2.212 541 G HA2 -0.285 3.675 3.960 0.001 0.000 0.266 541 G HA3 -0.285 3.675 3.960 0.001 0.000 0.266 541 G C 1.021 176.030 174.900 0.181 0.000 0.978 541 G CA 0.811 46.001 45.100 0.151 0.000 0.632 541 G HN 1.372 nan 8.290 nan 0.000 0.537 542 A N 0.240 123.208 122.820 0.246 0.000 1.872 542 A HA 0.168 4.488 4.320 0.001 0.000 0.214 542 A C 1.918 179.645 177.584 0.238 0.000 1.187 542 A CA 2.317 54.515 52.037 0.268 0.000 0.614 542 A CB -0.535 18.673 19.000 0.348 0.000 0.826 542 A HN 0.560 nan 8.150 nan 0.000 0.442 543 D N -0.710 119.826 120.400 0.227 0.000 2.103 543 D HA -0.147 4.493 4.640 0.001 0.000 0.190 543 D C 1.992 178.363 176.300 0.117 0.000 0.997 543 D CA 2.228 56.299 54.000 0.118 0.000 0.833 543 D CB -0.342 40.536 40.800 0.130 0.000 0.961 543 D HN 0.345 nan 8.370 nan 0.000 0.447 544 T N -0.094 114.547 114.554 0.144 0.000 2.597 544 T HA -0.245 4.105 4.350 0.001 0.000 0.267 544 T C 1.922 176.667 174.700 0.075 0.000 1.053 544 T CA 2.253 64.418 62.100 0.108 0.000 1.165 544 T CB -0.839 68.087 68.868 0.097 0.000 0.863 544 T HN 0.321 nan 8.240 nan 0.000 0.427 545 A N 1.283 124.148 122.820 0.076 0.000 1.892 545 A HA -0.104 4.216 4.320 0.001 0.000 0.218 545 A C 2.277 179.871 177.584 0.017 0.000 1.188 545 A CA 1.833 53.897 52.037 0.045 0.000 0.631 545 A CB -0.999 18.035 19.000 0.057 0.000 0.822 545 A HN 0.432 nan 8.150 nan 0.000 0.447 546 L N 0.399 121.634 121.223 0.020 0.000 2.079 546 L HA -0.203 4.137 4.340 0.001 0.000 0.210 546 L C 1.800 178.644 176.870 -0.043 0.000 1.081 546 L CA 2.428 57.243 54.840 -0.042 0.000 0.752 546 L CB -0.967 41.052 42.059 -0.068 0.000 0.896 546 L HN 0.524 nan 8.230 nan 0.000 0.433 547 N N -1.600 117.100 118.700 -0.000 0.000 2.047 547 N HA -0.172 4.568 4.740 0.001 0.000 0.193 547 N C 1.522 177.025 175.510 -0.012 0.000 1.055 547 N CA 1.971 55.021 53.050 0.001 0.000 0.847 547 N CB -0.285 38.243 38.487 0.068 0.000 1.038 547 N HN 0.312 nan 8.380 nan 0.000 0.427 548 T N 2.235 116.792 114.554 0.005 0.000 2.567 548 T HA -0.241 4.110 4.350 0.001 0.000 0.261 548 T C 1.824 176.505 174.700 -0.031 0.000 1.123 548 T CA 1.433 63.529 62.100 -0.007 0.000 1.166 548 T CB -0.534 68.335 68.868 0.001 0.000 0.860 548 T HN 0.147 nan 8.240 nan 0.000 0.436 549 I N 0.787 121.332 120.570 -0.041 0.000 2.113 549 I HA -0.237 3.933 4.170 0.001 0.000 0.242 549 I C 2.967 179.039 176.117 -0.074 0.000 1.064 549 I CA 0.915 62.178 61.300 -0.062 0.000 1.320 549 I CB -1.804 36.148 38.000 -0.080 0.000 1.028 549 I HN 0.430 nan 8.210 nan 0.000 0.406 550 C N 0.539 119.791 119.300 -0.080 0.000 2.398 550 C HA -0.224 4.237 4.460 0.001 0.000 0.276 550 C C 3.030 177.969 174.990 -0.085 0.000 1.222 550 C CA 1.864 60.827 59.018 -0.091 0.000 1.746 550 C CB -1.021 26.663 27.740 -0.093 0.000 2.039 550 C HN 0.571 nan 8.230 nan 0.000 0.470 551 T N -0.121 114.394 114.554 -0.065 0.000 2.496 551 T HA -0.160 4.190 4.350 0.001 0.000 0.254 551 T C 1.708 176.366 174.700 -0.070 0.000 1.161 551 T CA 2.515 64.580 62.100 -0.058 0.000 1.231 551 T CB -0.927 67.921 68.868 -0.034 0.000 0.866 551 T HN 0.612 nan 8.240 nan 0.000 0.396 552 T N 1.250 115.769 114.554 -0.059 0.000 2.656 552 T HA -0.293 4.057 4.350 0.001 0.000 0.262 552 T C 2.136 176.779 174.700 -0.094 0.000 1.070 552 T CA 1.749 63.811 62.100 -0.064 0.000 1.160 552 T CB -1.206 67.631 68.868 -0.050 0.000 0.855 552 T HN 0.474 nan 8.240 nan 0.000 0.456 553 C N 1.389 120.628 119.300 -0.102 0.000 2.391 553 C HA -0.152 4.308 4.460 0.001 0.000 0.276 553 C C 2.576 177.458 174.990 -0.180 0.000 1.217 553 C CA 1.169 60.106 59.018 -0.135 0.000 1.766 553 C CB -1.221 26.445 27.740 -0.123 0.000 2.046 553 C HN 0.579 nan 8.230 nan 0.000 0.475 554 D N -0.599 119.711 120.400 -0.151 0.000 2.123 554 D HA -0.096 4.544 4.640 0.001 0.000 0.200 554 D C 2.244 178.441 176.300 -0.172 0.000 0.976 554 D CA 0.813 54.717 54.000 -0.160 0.000 0.831 554 D CB -0.543 40.184 40.800 -0.121 0.000 0.974 554 D HN 0.590 nan 8.370 nan 0.000 0.469 555 R N 1.215 121.634 120.500 -0.135 0.000 2.147 555 R HA -0.178 4.163 4.340 0.001 0.000 0.225 555 R C 2.208 178.406 176.300 -0.171 0.000 1.120 555 R CA 1.541 57.571 56.100 -0.117 0.000 0.891 555 R CB -0.509 29.743 30.300 -0.080 0.000 0.822 555 R HN 0.004 nan 8.270 nan 0.000 0.433 556 I N 1.849 122.310 120.570 -0.181 0.000 2.367 556 I HA -0.327 3.843 4.170 0.001 0.000 0.256 556 I C 2.466 178.183 176.117 -0.666 0.000 1.132 556 I CA 1.680 62.829 61.300 -0.251 0.000 1.397 556 I CB -1.266 36.631 38.000 -0.172 0.000 1.074 556 I HN 0.475 nan 8.210 nan 0.000 0.435 557 K N 1.010 121.045 120.400 -0.607 0.000 2.057 557 K HA -0.199 4.122 4.320 0.001 0.000 0.206 557 K C 2.095 178.374 176.600 -0.535 0.000 1.050 557 K CA 1.310 57.136 56.287 -0.769 0.000 0.935 557 K CB 0.076 32.327 32.500 -0.416 0.000 0.715 557 K HN 0.426 nan 8.250 nan 0.000 0.439 558 Q N 0.139 119.768 119.800 -0.286 0.000 1.965 558 Q HA -0.104 4.237 4.340 0.001 0.000 0.200 558 Q C 1.331 177.297 176.000 -0.056 0.000 0.981 558 Q CA 1.455 57.176 55.803 -0.136 0.000 0.834 558 Q CB -0.050 28.632 28.738 -0.092 0.000 0.900 558 Q HN 0.257 nan 8.270 nan 0.000 0.426 559 S N 0.146 115.822 115.700 -0.041 0.000 4.159 559 S HA -0.319 4.151 4.470 0.001 0.000 0.538 559 S C 0.322 174.960 174.600 0.063 0.000 1.759 559 S CA 1.611 59.848 58.200 0.061 0.000 4.135 559 S CB -1.113 62.227 63.200 0.233 0.000 0.922 559 S HN 0.723 nan 8.310 nan 0.000 0.455 560 A N 0.005 122.884 122.820 0.099 0.000 2.855 560 A HA 0.776 5.096 4.320 0.001 0.000 0.313 560 A C 0.391 178.017 177.584 0.071 0.000 1.173 560 A CA 0.641 52.719 52.037 0.067 0.000 0.753 560 A CB 0.906 19.942 19.000 0.060 0.000 1.200 560 A HN 1.456 nan 8.150 nan 0.000 0.442 561 A N 0.977 123.827 122.820 0.049 0.000 2.277 561 A HA 0.243 4.563 4.320 0.001 0.000 0.208 561 A C 1.772 179.379 177.584 0.037 0.000 1.202 561 A CA 1.765 53.829 52.037 0.044 0.000 0.762 561 A CB -0.428 18.585 19.000 0.021 0.000 0.770 561 A HN 1.215 nan 8.150 nan 0.000 0.487 562 G N -0.118 108.703 108.800 0.036 0.000 2.417 562 G HA2 -0.117 3.843 3.960 0.001 0.000 0.212 562 G HA3 -0.117 3.843 3.960 0.001 0.000 0.212 562 G C 1.616 176.534 174.900 0.031 0.000 1.187 562 G CA 1.347 46.464 45.100 0.028 0.000 0.804 562 G HN 0.730 nan 8.290 nan 0.000 0.534 563 T N -0.778 113.798 114.554 0.036 0.000 3.093 563 T HA -0.032 4.318 4.350 0.001 0.000 0.270 563 T C 1.084 175.808 174.700 0.039 0.000 1.170 563 T CA 1.356 63.477 62.100 0.033 0.000 1.072 563 T CB -0.352 68.535 68.868 0.032 0.000 0.863 563 T HN 0.410 nan 8.240 nan 0.000 0.562 564 K N 0.784 121.210 120.400 0.043 0.000 1.135 564 K HA -0.239 4.081 4.320 0.001 0.000 0.764 564 K C -0.331 176.307 176.600 0.063 0.000 1.864 564 K CA 0.926 57.241 56.287 0.047 0.000 1.361 564 K CB -0.917 31.606 32.500 0.038 0.000 2.469 564 K HN 0.605 nan 8.250 nan 0.000 0.418 565 R N 0.566 121.108 120.500 0.069 0.000 4.211 565 R HA -0.218 4.123 4.340 0.001 0.000 0.105 565 R C -0.005 176.360 176.300 0.108 0.000 0.348 565 R CA 1.804 57.963 56.100 0.097 0.000 0.774 565 R CB -0.406 29.979 30.300 0.141 0.000 1.120 565 R HN 0.478 nan 8.270 nan 0.000 0.212 566 R N 1.496 122.021 120.500 0.041 0.000 2.707 566 R HA 0.594 4.934 4.340 0.001 0.000 0.272 566 R C -1.692 174.490 176.300 -0.197 0.000 1.011 566 R CA -0.767 55.298 56.100 -0.059 0.000 0.893 566 R CB 1.842 32.104 30.300 -0.062 0.000 1.233 566 R HN 0.214 nan 8.270 nan 0.000 0.464 567 V N 3.659 123.329 119.914 -0.406 0.000 2.577 567 V HA 0.563 4.684 4.120 0.001 0.000 0.303 567 V C -1.094 174.793 176.094 -0.345 0.000 1.042 567 V CA -0.708 61.359 62.300 -0.388 0.000 0.872 567 V CB 1.501 32.887 31.823 -0.729 0.000 0.998 567 V HN 0.535 nan 8.190 nan 0.000 0.423 568 F N 4.068 123.910 119.950 -0.179 0.000 2.422 568 F HA 0.643 5.171 4.527 0.001 0.000 0.333 568 F C 0.339 176.065 175.800 -0.123 0.000 1.095 568 F CA -1.264 56.661 58.000 -0.125 0.000 1.038 568 F CB 1.467 40.403 39.000 -0.107 0.000 1.156 568 F HN 0.227 nan 8.300 nan 0.000 0.483 569 I N 5.203 125.791 120.570 0.031 0.000 2.502 569 I HA 0.255 4.426 4.170 0.001 0.000 0.276 569 I C -0.978 175.134 176.117 -0.008 0.000 1.057 569 I CA -0.353 60.956 61.300 0.015 0.000 1.163 569 I CB 0.392 38.410 38.000 0.029 0.000 1.288 569 I HN 0.298 nan 8.210 nan 0.000 0.479 570 I N 4.681 125.265 120.570 0.023 0.000 2.428 570 I HA 0.323 4.493 4.170 0.001 0.000 0.296 570 I C 0.333 176.456 176.117 0.010 0.000 0.985 570 I CA -0.450 60.852 61.300 0.004 0.000 1.260 570 I CB 1.529 39.524 38.000 -0.008 0.000 1.389 570 I HN 0.595 nan 8.210 nan 0.000 0.484 571 E N 4.701 124.901 120.200 -0.001 0.000 2.182 571 E HA 0.349 4.699 4.350 0.001 0.000 0.258 571 E C -0.774 175.817 176.600 -0.015 0.000 0.879 571 E CA -0.500 55.906 56.400 0.009 0.000 0.754 571 E CB 1.258 30.969 29.700 0.018 0.000 1.162 571 E HN 0.739 nan 8.360 nan 0.000 0.419 572 T N 1.654 116.193 114.554 -0.025 0.000 2.904 572 T HA 0.437 4.787 4.350 0.001 0.000 0.290 572 T C 0.647 175.307 174.700 -0.067 0.000 1.018 572 T CA -0.727 61.341 62.100 -0.053 0.000 1.075 572 T CB 0.840 69.667 68.868 -0.068 0.000 0.986 572 T HN 0.490 nan 8.240 nan 0.000 0.523 573 M N 0.644 120.182 119.600 -0.104 0.000 2.278 573 M HA 0.784 5.264 4.480 0.001 0.000 0.227 573 M C 1.126 177.362 176.300 -0.107 0.000 1.138 573 M CA 0.036 55.248 55.300 -0.147 0.000 1.014 573 M CB -0.675 31.742 32.600 -0.306 0.000 1.289 573 M HN 1.128 nan 8.290 nan 0.000 0.567 574 G N -1.470 107.262 108.800 -0.112 0.000 2.181 574 G HA2 0.361 4.321 3.960 0.001 0.000 0.152 574 G HA3 0.361 4.321 3.960 0.001 0.000 0.152 574 G C 0.639 175.531 174.900 -0.013 0.000 1.026 574 G CA 0.086 45.166 45.100 -0.032 0.000 0.699 574 G HN 1.744 nan 8.290 nan 0.000 0.497 575 G N 0.078 108.834 108.800 -0.073 0.000 2.690 575 G HA2 -0.366 3.594 3.960 0.001 0.000 0.334 575 G HA3 -0.366 3.594 3.960 0.001 0.000 0.334 575 G C 0.871 175.612 174.900 -0.265 0.000 1.250 575 G CA 1.555 46.571 45.100 -0.141 0.000 0.994 575 G HN 1.101 nan 8.290 nan 0.000 0.549 576 Y N 0.074 120.387 120.300 0.022 0.000 2.497 576 Y HA 0.372 4.923 4.550 0.001 0.000 0.265 576 Y C 2.356 178.390 175.900 0.223 0.000 1.111 576 Y CA 0.124 58.257 58.100 0.055 0.000 1.288 576 Y CB 0.063 38.494 38.460 -0.049 0.000 1.082 576 Y HN 0.544 nan 8.280 nan 0.000 0.536 577 C N 1.979 121.470 119.300 0.318 0.000 2.657 577 C HA 0.292 4.752 4.460 0.001 0.000 0.404 577 C C 1.822 176.986 174.990 0.290 0.000 1.369 577 C CA 0.118 59.352 59.018 0.361 0.000 1.665 577 C CB -0.942 26.984 27.740 0.311 0.000 2.453 577 C HN 0.669 nan 8.230 nan 0.000 0.599 578 G N 4.503 113.536 108.800 0.389 0.000 3.379 578 G HA2 0.030 3.990 3.960 0.001 0.000 0.253 578 G HA3 0.030 3.990 3.960 0.001 0.000 0.253 578 G C 0.653 175.364 174.900 -0.316 0.000 1.262 578 G CA -0.021 45.176 45.100 0.162 0.000 0.959 578 G HN 0.917 nan 8.290 nan 0.000 0.524 579 Y N 1.233 121.223 120.300 -0.517 0.000 2.079 579 Y HA -0.127 4.423 4.550 0.001 0.000 0.267 579 Y C 2.494 178.004 175.900 -0.650 0.000 1.104 579 Y CA 1.379 58.836 58.100 -1.071 0.000 1.086 579 Y CB -0.603 37.530 38.460 -0.545 0.000 0.989 579 Y HN 0.134 nan 8.280 nan 0.000 0.477 580 L N 0.215 121.164 121.223 -0.456 0.000 1.991 580 L HA -0.383 3.957 4.340 0.001 0.000 0.221 580 L C 2.726 179.374 176.870 -0.370 0.000 1.079 580 L CA 1.838 56.432 54.840 -0.410 0.000 0.778 580 L CB -1.464 40.500 42.059 -0.158 0.000 0.893 580 L HN 0.433 nan 8.230 nan 0.000 0.437 581 A N -1.040 121.626 122.820 -0.257 0.000 1.940 581 A HA -0.228 4.093 4.320 0.001 0.000 0.219 581 A C 2.344 179.765 177.584 -0.272 0.000 1.176 581 A CA 2.538 54.452 52.037 -0.205 0.000 0.631 581 A CB -0.902 18.031 19.000 -0.112 0.000 0.814 581 A HN 0.454 nan 8.150 nan 0.000 0.446 582 T N -0.538 113.779 114.554 -0.395 0.000 2.904 582 T HA -0.030 4.320 4.350 0.001 0.000 0.267 582 T C 1.934 176.403 174.700 -0.384 0.000 1.059 582 T CA 1.352 63.232 62.100 -0.367 0.000 1.137 582 T CB -0.191 68.439 68.868 -0.396 0.000 0.879 582 T HN 0.300 nan 8.240 nan 0.000 0.467 583 M N 0.964 120.240 119.600 -0.540 0.000 2.171 583 M HA 0.251 4.732 4.480 0.001 0.000 0.260 583 M C 2.877 178.996 176.300 -0.302 0.000 1.087 583 M CA 1.112 56.142 55.300 -0.449 0.000 1.154 583 M CB -1.634 30.570 32.600 -0.660 0.000 1.331 583 M HN 0.236 nan 8.290 nan 0.000 0.431 584 A N 0.648 123.289 122.820 -0.299 0.000 2.032 584 A HA -0.068 4.252 4.320 0.001 0.000 0.221 584 A C 2.377 179.856 177.584 -0.176 0.000 1.165 584 A CA 2.064 53.978 52.037 -0.206 0.000 0.645 584 A CB -1.495 17.396 19.000 -0.181 0.000 0.807 584 A HN 0.571 nan 8.150 nan 0.000 0.453 585 G N -0.460 108.226 108.800 -0.191 0.000 2.418 585 G HA2 -0.116 3.844 3.960 0.001 0.000 0.217 585 G HA3 -0.116 3.844 3.960 0.001 0.000 0.217 585 G C 1.480 176.299 174.900 -0.136 0.000 1.158 585 G CA 1.130 46.137 45.100 -0.155 0.000 0.771 585 G HN 0.479 nan 8.290 nan 0.000 0.545 586 L N 0.928 122.062 121.223 -0.148 0.000 2.109 586 L HA 0.303 4.643 4.340 0.001 0.000 0.207 586 L C 3.002 179.801 176.870 -0.119 0.000 1.086 586 L CA 1.802 56.571 54.840 -0.119 0.000 0.760 586 L CB -0.303 41.686 42.059 -0.116 0.000 0.910 586 L HN 0.213 nan 8.230 nan 0.000 0.437 587 A N -0.796 121.942 122.820 -0.137 0.000 2.014 587 A HA 0.213 4.533 4.320 0.001 0.000 0.218 587 A C 1.851 179.361 177.584 -0.123 0.000 1.163 587 A CA 1.053 53.010 52.037 -0.133 0.000 0.652 587 A CB -0.643 18.273 19.000 -0.140 0.000 0.808 587 A HN 0.425 nan 8.150 nan 0.000 0.449 588 A N -1.059 121.689 122.820 -0.121 0.000 2.827 588 A HA 0.488 4.809 4.320 0.001 0.000 0.300 588 A C 1.361 178.884 177.584 -0.102 0.000 1.237 588 A CA 0.521 52.489 52.037 -0.115 0.000 0.964 588 A CB -1.224 17.703 19.000 -0.122 0.000 1.143 588 A HN 1.568 nan 8.150 nan 0.000 0.554 589 G N -0.010 108.735 108.800 -0.091 0.000 2.453 589 G HA2 -0.043 3.917 3.960 0.001 0.000 0.313 589 G HA3 -0.043 3.917 3.960 0.001 0.000 0.313 589 G C 0.685 175.550 174.900 -0.058 0.000 0.948 589 G CA 0.728 45.787 45.100 -0.068 0.000 0.846 589 G HN 1.729 nan 8.290 nan 0.000 0.512 590 A N -0.768 122.009 122.820 -0.072 0.000 2.520 590 A HA 0.397 4.718 4.320 0.001 0.000 0.235 590 A C 1.237 178.800 177.584 -0.035 0.000 1.065 590 A CA 1.055 53.052 52.037 -0.067 0.000 0.764 590 A CB 0.245 19.195 19.000 -0.084 0.000 1.002 590 A HN 0.575 nan 8.150 nan 0.000 0.502 591 D N 0.026 120.415 120.400 -0.019 0.000 2.347 591 D HA 0.358 4.998 4.640 0.001 0.000 0.213 591 D C 0.256 176.604 176.300 0.080 0.000 0.985 591 D CA 1.315 55.352 54.000 0.062 0.000 0.879 591 D CB 0.048 40.883 40.800 0.058 0.000 0.919 591 D HN 0.865 nan 8.370 nan 0.000 0.526 592 A N -0.474 122.311 122.820 -0.058 0.000 2.565 592 A HA 0.677 4.998 4.320 0.001 0.000 0.298 592 A C -1.583 175.812 177.584 -0.314 0.000 1.062 592 A CA -0.297 51.595 52.037 -0.242 0.000 0.723 592 A CB 1.297 20.144 19.000 -0.255 0.000 1.282 592 A HN 0.231 nan 8.150 nan 0.000 0.400 593 A N 1.667 124.222 122.820 -0.440 0.000 2.411 593 A HA 0.694 5.014 4.320 0.001 0.000 0.285 593 A C -1.420 175.913 177.584 -0.419 0.000 1.129 593 A CA -0.321 51.531 52.037 -0.308 0.000 0.736 593 A CB 0.313 19.195 19.000 -0.197 0.000 1.186 593 A HN 0.874 nan 8.150 nan 0.000 0.445 594 Y N 3.929 124.156 120.300 -0.121 0.000 2.327 594 Y HA 0.524 5.075 4.550 0.001 0.000 0.336 594 Y C 0.759 176.665 175.900 0.010 0.000 1.035 594 Y CA -0.469 57.530 58.100 -0.167 0.000 1.165 594 Y CB 1.008 39.270 38.460 -0.330 0.000 1.181 594 Y HN 0.647 nan 8.280 nan 0.000 0.494 595 I N 0.366 121.059 120.570 0.206 0.000 3.145 595 I HA 0.361 4.532 4.170 0.001 0.000 0.313 595 I C -0.023 176.307 176.117 0.356 0.000 1.122 595 I CA -1.326 60.125 61.300 0.252 0.000 0.987 595 I CB 0.664 38.789 38.000 0.208 0.000 1.236 595 I HN 0.523 nan 8.210 nan 0.000 0.453 596 F N 2.272 122.345 119.950 0.205 0.000 2.084 596 F HA 0.000 4.528 4.527 0.001 0.000 0.296 596 F C 1.957 177.841 175.800 0.141 0.000 1.111 596 F CA 1.831 59.939 58.000 0.181 0.000 1.224 596 F CB -0.329 38.793 39.000 0.204 0.000 0.991 596 F HN 0.698 nan 8.300 nan 0.000 0.471 597 E N 0.558 120.673 120.200 -0.143 0.000 2.444 597 E HA -0.219 4.132 4.350 0.001 0.000 0.204 597 E C 0.262 176.755 176.600 -0.178 0.000 1.049 597 E CA 1.174 57.429 56.400 -0.242 0.000 0.872 597 E CB -0.259 29.430 29.700 -0.018 0.000 0.791 597 E HN 0.537 nan 8.360 nan 0.000 0.548 598 E N 0.377 120.538 120.200 -0.064 0.000 2.528 598 E HA 0.139 4.489 4.350 0.001 0.000 0.277 598 E C -2.665 174.004 176.600 0.115 0.000 0.980 598 E CA -2.234 54.166 56.400 0.000 0.000 0.796 598 E CB 0.986 30.707 29.700 0.036 0.000 1.427 598 E HN -0.128 nan 8.360 nan 0.000 0.394 599 P HA 0.168 nan 4.420 nan 0.000 0.271 599 P C -0.852 176.588 177.300 0.233 0.000 1.218 599 P CA -0.093 63.064 63.100 0.095 0.000 0.780 599 P CB 0.284 31.955 31.700 -0.048 0.000 0.901 600 F N -1.617 118.390 119.950 0.095 0.000 2.629 600 F HA 0.801 5.329 4.527 0.001 0.000 0.316 600 F C -0.793 175.103 175.800 0.161 0.000 1.081 600 F CA -1.269 56.811 58.000 0.133 0.000 0.954 600 F CB 1.299 40.435 39.000 0.228 0.000 1.337 600 F HN 0.325 nan 8.300 nan 0.000 0.474 601 T N 1.371 116.052 114.554 0.212 0.000 2.893 601 T HA 0.388 4.738 4.350 0.001 0.000 0.293 601 T C 0.711 175.570 174.700 0.265 0.000 1.027 601 T CA -0.374 61.838 62.100 0.186 0.000 0.988 601 T CB 1.203 70.128 68.868 0.096 0.000 1.043 601 T HN 0.864 nan 8.240 nan 0.000 0.461 602 I N 4.057 124.771 120.570 0.241 0.000 2.271 602 I HA -0.305 3.865 4.170 0.001 0.000 0.252 602 I C 2.338 178.497 176.117 0.069 0.000 1.043 602 I CA 2.029 63.333 61.300 0.007 0.000 1.337 602 I CB -0.063 37.935 38.000 -0.003 0.000 1.024 602 I HN 0.719 nan 8.210 nan 0.000 0.437 603 R N 0.002 120.560 120.500 0.097 0.000 2.091 603 R HA -0.171 4.170 4.340 0.001 0.000 0.238 603 R C 1.876 178.234 176.300 0.095 0.000 1.136 603 R CA 1.719 57.867 56.100 0.080 0.000 0.959 603 R CB -0.600 29.743 30.300 0.072 0.000 0.856 603 R HN 0.520 nan 8.270 nan 0.000 0.437 604 D N 0.895 121.381 120.400 0.143 0.000 2.077 604 D HA -0.147 4.493 4.640 0.001 0.000 0.197 604 D C 1.930 178.322 176.300 0.153 0.000 0.983 604 D CA 0.718 54.808 54.000 0.150 0.000 0.841 604 D CB -0.621 40.323 40.800 0.239 0.000 0.992 604 D HN -0.033 nan 8.370 nan 0.000 0.450 605 L N 1.178 122.528 121.223 0.212 0.000 2.058 605 L HA -0.297 4.044 4.340 0.001 0.000 0.226 605 L C 2.356 179.241 176.870 0.026 0.000 1.089 605 L CA 1.921 56.828 54.840 0.113 0.000 0.799 605 L CB -0.824 41.258 42.059 0.037 0.000 0.900 605 L HN 0.134 nan 8.230 nan 0.000 0.442 606 Q N -1.889 117.924 119.800 0.023 0.000 2.291 606 Q HA -0.149 4.192 4.340 0.001 0.000 0.206 606 Q C 1.898 177.937 176.000 0.065 0.000 0.976 606 Q CA 1.303 57.112 55.803 0.010 0.000 0.875 606 Q CB -0.029 28.717 28.738 0.013 0.000 0.927 606 Q HN 0.648 nan 8.270 nan 0.000 0.450 607 A N 0.254 123.133 122.820 0.099 0.000 2.030 607 A HA -0.045 4.276 4.320 0.001 0.000 0.215 607 A C 1.535 179.255 177.584 0.227 0.000 1.164 607 A CA 0.687 52.805 52.037 0.136 0.000 0.697 607 A CB -0.114 18.949 19.000 0.106 0.000 0.827 607 A HN 0.366 nan 8.150 nan 0.000 0.457 608 N N 0.295 119.136 118.700 0.235 0.000 2.331 608 N HA -0.083 4.657 4.740 0.001 0.000 0.180 608 N C 1.491 177.296 175.510 0.491 0.000 1.019 608 N CA 1.511 54.790 53.050 0.383 0.000 0.881 608 N CB -0.245 38.459 38.487 0.361 0.000 0.972 608 N HN 0.295 nan 8.380 nan 0.000 0.435 609 V N 0.977 121.113 119.914 0.371 0.000 2.535 609 V HA -0.040 4.080 4.120 0.001 0.000 0.246 609 V C 1.712 178.002 176.094 0.326 0.000 1.045 609 V CA 1.075 63.651 62.300 0.459 0.000 1.058 609 V CB -0.394 31.513 31.823 0.139 0.000 0.689 609 V HN 0.250 nan 8.190 nan 0.000 0.461 610 E N -0.459 119.878 120.200 0.228 0.000 2.418 610 E HA -0.187 4.163 4.350 0.001 0.000 0.197 610 E C 1.928 178.635 176.600 0.179 0.000 1.026 610 E CA 0.952 57.451 56.400 0.165 0.000 0.862 610 E CB -0.059 29.712 29.700 0.118 0.000 0.799 610 E HN 0.763 nan 8.360 nan 0.000 0.518 611 H N 0.609 119.758 119.070 0.131 0.000 2.306 611 H HA -0.011 4.545 4.556 0.001 0.000 0.307 611 H C 1.905 177.239 175.328 0.010 0.000 1.061 611 H CA 0.840 56.912 56.048 0.040 0.000 1.359 611 H CB -0.103 29.693 29.762 0.058 0.000 1.407 611 H HN 0.082 nan 8.280 nan 0.000 0.517 612 L N 0.425 121.744 121.223 0.161 0.000 2.263 612 L HA -0.105 4.235 4.340 0.001 0.000 0.216 612 L C 1.862 178.764 176.870 0.055 0.000 1.111 612 L CA 1.051 55.913 54.840 0.036 0.000 0.773 612 L CB -0.603 41.489 42.059 0.055 0.000 0.906 612 L HN 0.283 nan 8.230 nan 0.000 0.439 613 V N -0.926 119.080 119.914 0.153 0.000 2.273 613 V HA -0.213 3.907 4.120 0.001 0.000 0.242 613 V C 2.524 178.647 176.094 0.049 0.000 1.035 613 V CA 1.441 63.857 62.300 0.193 0.000 1.013 613 V CB -0.464 31.465 31.823 0.177 0.000 0.652 613 V HN 0.446 nan 8.190 nan 0.000 0.452 614 Q N 0.190 119.971 119.800 -0.032 0.000 2.217 614 Q HA -0.258 4.082 4.340 0.001 0.000 0.209 614 Q C 2.091 178.015 176.000 -0.127 0.000 0.988 614 Q CA 1.647 57.397 55.803 -0.089 0.000 0.878 614 Q CB -0.478 28.177 28.738 -0.138 0.000 0.909 614 Q HN 0.611 nan 8.270 nan 0.000 0.424 615 K N -0.375 119.917 120.400 -0.180 0.000 1.991 615 K HA 0.042 4.362 4.320 0.001 0.000 0.207 615 K C 2.013 178.575 176.600 -0.064 0.000 1.045 615 K CA 0.881 57.067 56.287 -0.168 0.000 0.937 615 K CB -0.049 32.317 32.500 -0.223 0.000 0.720 615 K HN 0.124 nan 8.250 nan 0.000 0.438 616 M N 1.272 120.865 119.600 -0.012 0.000 2.446 616 M HA -0.119 4.361 4.480 0.001 0.000 0.263 616 M C 0.692 177.037 176.300 0.075 0.000 1.066 616 M CA 1.503 56.840 55.300 0.061 0.000 1.087 616 M CB -0.506 32.217 32.600 0.205 0.000 1.406 616 M HN 0.007 nan 8.290 nan 0.000 0.459 617 K N -0.033 120.392 120.400 0.041 0.000 2.811 617 K HA 0.209 4.529 4.320 0.001 0.000 0.217 617 K C 0.170 176.769 176.600 -0.002 0.000 1.115 617 K CA -0.075 56.226 56.287 0.023 0.000 1.179 617 K CB 0.461 32.968 32.500 0.011 0.000 0.994 617 K HN 0.149 nan 8.250 nan 0.000 0.464 618 T N -2.139 112.413 114.554 -0.004 0.000 2.583 618 T HA -0.105 4.246 4.350 0.001 0.000 0.201 618 T C 1.210 175.907 174.700 -0.004 0.000 1.084 618 T CA -0.208 61.884 62.100 -0.012 0.000 1.217 618 T CB -0.135 68.712 68.868 -0.035 0.000 2.084 618 T HN 0.081 nan 8.240 nan 0.000 0.418 619 T N 1.658 116.207 114.554 -0.007 0.000 2.867 619 T HA 0.073 4.423 4.350 0.001 0.000 0.268 619 T C 0.643 175.347 174.700 0.007 0.000 1.057 619 T CA 0.888 62.994 62.100 0.009 0.000 1.136 619 T CB -0.477 68.410 68.868 0.031 0.000 0.874 619 T HN 0.263 nan 8.240 nan 0.000 0.466 620 V N 3.876 123.786 119.914 -0.007 0.000 2.583 620 V HA 0.303 4.423 4.120 0.001 0.000 0.287 620 V C 1.233 177.327 176.094 -0.001 0.000 1.051 620 V CA -0.455 61.838 62.300 -0.012 0.000 1.010 620 V CB 1.503 33.302 31.823 -0.039 0.000 0.988 620 V HN 0.458 nan 8.190 nan 0.000 0.478 621 K N 3.593 123.994 120.400 0.002 0.000 2.306 621 K HA 0.252 4.572 4.320 0.001 0.000 0.200 621 K C 0.581 177.195 176.600 0.022 0.000 1.083 621 K CA 0.067 56.365 56.287 0.018 0.000 0.959 621 K CB 0.398 32.910 32.500 0.020 0.000 0.994 621 K HN 0.380 nan 8.250 nan 0.000 0.492 622 R N 0.699 121.205 120.500 0.011 0.000 2.494 622 R HA 0.594 4.934 4.340 0.001 0.000 0.305 622 R C -0.603 175.686 176.300 -0.018 0.000 0.959 622 R CA -0.191 55.933 56.100 0.039 0.000 0.864 622 R CB 1.845 32.166 30.300 0.036 0.000 1.159 622 R HN 0.376 nan 8.270 nan 0.000 0.446 623 G N 1.688 110.468 108.800 -0.033 0.000 2.448 623 G HA2 0.596 4.556 3.960 0.001 0.000 0.324 623 G HA3 0.596 4.556 3.960 0.001 0.000 0.324 623 G C -1.757 173.118 174.900 -0.041 0.000 1.203 623 G CA -0.347 44.683 45.100 -0.116 0.000 0.954 623 G HN 0.397 nan 8.290 nan 0.000 0.480 624 L N 1.940 123.116 121.223 -0.080 0.000 2.438 624 L HA 0.731 5.071 4.340 0.001 0.000 0.270 624 L C -1.130 175.693 176.870 -0.078 0.000 0.972 624 L CA -0.944 53.864 54.840 -0.053 0.000 0.831 624 L CB 2.156 44.168 42.059 -0.079 0.000 1.273 624 L HN 0.314 nan 8.230 nan 0.000 0.405 625 V N 6.409 126.287 119.914 -0.059 0.000 2.409 625 V HA 0.467 4.587 4.120 0.001 0.000 0.290 625 V C 0.036 176.153 176.094 0.040 0.000 1.017 625 V CA -0.513 61.775 62.300 -0.021 0.000 0.841 625 V CB 1.567 33.368 31.823 -0.037 0.000 1.003 625 V HN 0.669 nan 8.190 nan 0.000 0.426 626 L N 4.572 125.803 121.223 0.013 0.000 2.399 626 L HA 0.726 5.067 4.340 0.001 0.000 0.265 626 L C 0.171 177.103 176.870 0.104 0.000 1.089 626 L CA -0.550 54.301 54.840 0.018 0.000 0.802 626 L CB 1.485 43.514 42.059 -0.052 0.000 1.180 626 L HN 0.633 nan 8.230 nan 0.000 0.454 627 R N 1.728 122.288 120.500 0.100 0.000 2.518 627 R HA 0.194 4.534 4.340 0.001 0.000 0.287 627 R C -0.968 175.389 176.300 0.095 0.000 1.135 627 R CA -0.744 55.456 56.100 0.166 0.000 0.967 627 R CB 1.098 31.521 30.300 0.205 0.000 1.212 627 R HN 0.639 nan 8.270 nan 0.000 0.422 628 N N 2.619 121.379 118.700 0.101 0.000 2.407 628 N HA -0.126 4.615 4.740 0.001 0.000 0.250 628 N C 0.799 176.329 175.510 0.034 0.000 1.236 628 N CA 0.698 53.783 53.050 0.058 0.000 0.879 628 N CB 1.033 39.581 38.487 0.103 0.000 1.088 628 N HN 0.779 nan 8.380 nan 0.000 0.450 629 E N 2.244 122.429 120.200 -0.025 0.000 2.267 629 E HA -0.199 4.151 4.350 0.001 0.000 0.197 629 E C 0.126 176.675 176.600 -0.085 0.000 0.998 629 E CA 1.348 57.719 56.400 -0.047 0.000 0.830 629 E CB -0.044 29.611 29.700 -0.074 0.000 0.751 629 E HN 0.596 nan 8.360 nan 0.000 0.491 630 K N 0.236 120.548 120.400 -0.148 0.000 2.536 630 K HA 0.148 4.468 4.320 0.001 0.000 0.203 630 K C 1.464 178.022 176.600 -0.069 0.000 1.063 630 K CA 0.372 56.506 56.287 -0.255 0.000 1.063 630 K CB 0.598 32.619 32.500 -0.800 0.000 0.843 630 K HN 0.296 nan 8.250 nan 0.000 0.521 631 C N 1.093 120.462 119.300 0.117 0.000 2.397 631 C HA -0.092 4.368 4.460 0.001 0.000 0.286 631 C C 0.733 175.936 174.990 0.355 0.000 1.308 631 C CA 0.381 59.592 59.018 0.323 0.000 1.805 631 C CB -1.054 26.928 27.740 0.405 0.000 1.952 631 C HN 0.560 nan 8.230 nan 0.000 0.518 632 N N -1.149 117.663 118.700 0.186 0.000 3.134 632 N HA 0.052 4.792 4.740 0.001 0.000 0.235 632 N C 0.016 175.519 175.510 -0.012 0.000 1.092 632 N CA -0.251 52.836 53.050 0.061 0.000 1.038 632 N CB 0.771 39.230 38.487 -0.047 0.000 1.684 632 N HN 0.176 nan 8.380 nan 0.000 0.551 633 E N 1.560 121.719 120.200 -0.069 0.000 2.072 633 E HA -0.044 4.307 4.350 0.001 0.000 0.191 633 E C 0.659 177.207 176.600 -0.088 0.000 0.985 633 E CA 1.271 57.632 56.400 -0.065 0.000 0.801 633 E CB 0.095 29.758 29.700 -0.061 0.000 0.750 633 E HN 0.551 nan 8.360 nan 0.000 0.452 634 N N 0.314 118.891 118.700 -0.205 0.000 2.176 634 N HA -0.063 4.678 4.740 0.001 0.000 0.187 634 N C 0.628 176.065 175.510 -0.122 0.000 1.043 634 N CA 0.489 53.413 53.050 -0.211 0.000 0.851 634 N CB -0.400 37.857 38.487 -0.384 0.000 1.018 634 N HN 0.255 nan 8.380 nan 0.000 0.436 635 Y N 2.787 122.849 120.300 -0.396 0.000 2.525 635 Y HA -0.018 4.533 4.550 0.001 0.000 0.337 635 Y C 1.383 177.299 175.900 0.027 0.000 1.248 635 Y CA -0.850 57.021 58.100 -0.381 0.000 1.882 635 Y CB -0.941 37.332 38.460 -0.312 0.000 1.811 635 Y HN 0.086 nan 8.280 nan 0.000 0.434 636 T N -3.088 111.628 114.554 0.271 0.000 2.753 636 T HA 0.043 4.393 4.350 0.001 0.000 0.309 636 T C 1.420 176.276 174.700 0.260 0.000 1.043 636 T CA -0.246 61.989 62.100 0.224 0.000 0.964 636 T CB 0.775 69.757 68.868 0.189 0.000 1.206 636 T HN 0.388 nan 8.240 nan 0.000 0.528 637 T N 0.953 115.622 114.554 0.192 0.000 2.643 637 T HA -0.086 4.264 4.350 0.001 0.000 0.264 637 T C 1.570 176.414 174.700 0.240 0.000 1.045 637 T CA 1.824 64.031 62.100 0.179 0.000 1.155 637 T CB -0.813 68.121 68.868 0.110 0.000 0.863 637 T HN 0.691 nan 8.240 nan 0.000 0.420 638 D N 0.578 121.121 120.400 0.238 0.000 2.178 638 D HA -0.038 4.602 4.640 0.001 0.000 0.201 638 D C 1.580 178.007 176.300 0.212 0.000 0.980 638 D CA 0.520 54.687 54.000 0.279 0.000 0.842 638 D CB -0.448 40.480 40.800 0.213 0.000 0.948 638 D HN 0.314 nan 8.370 nan 0.000 0.472 639 F N 1.327 121.347 119.950 0.117 0.000 2.046 639 F HA -0.192 4.336 4.527 0.001 0.000 0.297 639 F C 2.025 177.839 175.800 0.024 0.000 1.123 639 F CA 1.294 59.330 58.000 0.061 0.000 1.199 639 F CB -0.101 38.948 39.000 0.082 0.000 0.972 639 F HN -0.146 nan 8.300 nan 0.000 0.474 640 I N -0.025 120.682 120.570 0.229 0.000 2.208 640 I HA -0.301 3.869 4.170 0.001 0.000 0.245 640 I C 2.440 178.637 176.117 0.134 0.000 1.097 640 I CA 1.355 62.709 61.300 0.091 0.000 1.363 640 I CB -1.726 36.361 38.000 0.146 0.000 1.051 640 I HN 0.234 nan 8.210 nan 0.000 0.413 641 F N 2.990 122.968 119.950 0.047 0.000 2.015 641 F HA -0.291 4.236 4.527 0.001 0.000 0.297 641 F C 2.348 178.157 175.800 0.016 0.000 1.141 641 F CA 2.035 60.078 58.000 0.071 0.000 1.192 641 F CB -1.257 37.772 39.000 0.048 0.000 0.957 641 F HN 0.224 nan 8.300 nan 0.000 0.491 642 N N 0.273 118.787 118.700 -0.309 0.000 2.205 642 N HA -0.214 4.526 4.740 0.001 0.000 0.186 642 N C 1.840 177.143 175.510 -0.344 0.000 1.015 642 N CA 1.107 53.872 53.050 -0.475 0.000 0.862 642 N CB -0.343 37.905 38.487 -0.399 0.000 0.986 642 N HN 0.297 nan 8.380 nan 0.000 0.429 643 L N 0.495 121.491 121.223 -0.379 0.000 2.046 643 L HA -0.154 4.187 4.340 0.001 0.000 0.208 643 L C 1.742 178.479 176.870 -0.223 0.000 1.077 643 L CA 1.551 56.157 54.840 -0.390 0.000 0.747 643 L CB -0.811 40.931 42.059 -0.527 0.000 0.896 643 L HN 0.160 nan 8.230 nan 0.000 0.432 644 Y N -0.550 119.742 120.300 -0.014 0.000 2.109 644 Y HA -0.227 4.323 4.550 0.001 0.000 0.285 644 Y C 2.622 178.602 175.900 0.134 0.000 1.131 644 Y CA 1.389 59.569 58.100 0.135 0.000 1.121 644 Y CB -0.508 38.073 38.460 0.201 0.000 0.987 644 Y HN 0.199 nan 8.280 nan 0.000 0.495 645 S N 0.216 116.039 115.700 0.205 0.000 2.521 645 S HA -0.333 4.137 4.470 0.001 0.000 0.246 645 S C 1.831 176.390 174.600 -0.069 0.000 1.059 645 S CA 1.621 59.839 58.200 0.030 0.000 1.302 645 S CB -0.694 62.330 63.200 -0.294 0.000 1.216 645 S HN 0.421 nan 8.310 nan 0.000 0.421 646 E N 0.740 120.851 120.200 -0.148 0.000 2.172 646 E HA -0.244 4.106 4.350 0.001 0.000 0.213 646 E C 2.136 178.652 176.600 -0.139 0.000 1.051 646 E CA 1.463 57.774 56.400 -0.150 0.000 0.860 646 E CB -0.443 29.161 29.700 -0.160 0.000 0.755 646 E HN 0.419 nan 8.360 nan 0.000 0.462 647 E N -0.593 119.549 120.200 -0.097 0.000 2.085 647 E HA -0.115 4.235 4.350 0.001 0.000 0.194 647 E C 1.123 177.608 176.600 -0.191 0.000 0.994 647 E CA 1.093 57.446 56.400 -0.077 0.000 0.801 647 E CB -0.372 29.345 29.700 0.030 0.000 0.743 647 E HN 0.180 nan 8.360 nan 0.000 0.453 648 G N 1.144 109.706 108.800 -0.398 0.000 2.922 648 G HA2 0.227 4.187 3.960 0.001 0.000 0.335 648 G HA3 0.227 4.187 3.960 0.001 0.000 0.335 648 G C 0.608 175.045 174.900 -0.772 0.000 1.016 648 G CA -0.378 44.077 45.100 -1.075 0.000 1.306 648 G HN -0.085 nan 8.290 nan 0.000 0.465 649 K N 2.157 122.305 120.400 -0.420 0.000 2.118 649 K HA 0.198 4.518 4.320 0.001 0.000 0.214 649 K C 2.311 178.773 176.600 -0.231 0.000 1.023 649 K CA 0.983 57.108 56.287 -0.270 0.000 0.948 649 K CB -0.361 32.034 32.500 -0.175 0.000 0.851 649 K HN 0.295 nan 8.250 nan 0.000 0.455 650 G N 0.692 109.387 108.800 -0.176 0.000 3.234 650 G HA2 0.082 4.043 3.960 0.001 0.000 0.221 650 G HA3 0.082 4.043 3.960 0.001 0.000 0.221 650 G C 0.636 175.456 174.900 -0.133 0.000 1.229 650 G CA 0.083 45.109 45.100 -0.123 0.000 0.909 650 G HN 0.165 nan 8.290 nan 0.000 0.510 651 I N -0.692 119.734 120.570 -0.240 0.000 3.194 651 I HA 0.347 4.518 4.170 0.001 0.000 0.271 651 I C 0.434 176.497 176.117 -0.091 0.000 1.150 651 I CA 0.582 61.752 61.300 -0.217 0.000 1.440 651 I CB -0.551 37.228 38.000 -0.369 0.000 1.276 651 I HN 0.211 nan 8.210 nan 0.000 0.457 652 F N -0.798 119.142 119.950 -0.016 0.000 2.773 652 F HA 0.594 5.122 4.527 0.001 0.000 0.314 652 F C -0.923 174.858 175.800 -0.032 0.000 1.160 652 F CA -1.794 56.192 58.000 -0.023 0.000 0.920 652 F CB 0.393 39.379 39.000 -0.023 0.000 1.323 652 F HN -0.227 nan 8.300 nan 0.000 0.457 653 D N 0.192 120.780 120.400 0.313 0.000 2.466 653 D HA 0.722 5.363 4.640 0.001 0.000 0.262 653 D C -1.072 175.354 176.300 0.209 0.000 1.177 653 D CA 0.338 54.438 54.000 0.166 0.000 1.035 653 D CB 1.620 42.447 40.800 0.045 0.000 1.105 653 D HN 0.995 nan 8.370 nan 0.000 0.551 654 S N 0.079 115.822 115.700 0.071 0.000 2.586 654 S HA 0.517 4.988 4.470 0.001 0.000 0.296 654 S C -1.151 173.455 174.600 0.011 0.000 1.120 654 S CA -1.147 57.055 58.200 0.004 0.000 0.927 654 S CB 1.203 64.555 63.200 0.254 0.000 1.114 654 S HN 0.360 nan 8.310 nan 0.000 0.453 655 R N 1.322 121.665 120.500 -0.260 0.000 2.923 655 R HA 0.716 5.057 4.340 0.001 0.000 0.252 655 R C -0.873 175.222 176.300 -0.342 0.000 1.130 655 R CA -0.883 55.084 56.100 -0.221 0.000 1.043 655 R CB 1.698 31.837 30.300 -0.269 0.000 1.205 655 R HN 0.931 nan 8.270 nan 0.000 0.495 656 K N 0.423 120.550 120.400 -0.455 0.000 2.615 656 K HA 0.456 4.776 4.320 0.001 0.000 0.249 656 K C -1.186 175.251 176.600 -0.272 0.000 0.977 656 K CA -0.723 55.263 56.287 -0.501 0.000 0.833 656 K CB 1.249 33.064 32.500 -1.141 0.000 1.208 656 K HN 0.277 nan 8.250 nan 0.000 0.443 657 N N 0.977 119.607 118.700 -0.117 0.000 2.477 657 N HA 0.450 5.191 4.740 0.001 0.000 0.284 657 N C -1.383 174.096 175.510 -0.052 0.000 1.182 657 N CA -0.848 52.167 53.050 -0.058 0.000 0.949 657 N CB 2.127 40.613 38.487 -0.002 0.000 1.204 657 N HN 0.339 nan 8.380 nan 0.000 0.526 658 V N 2.674 122.570 119.914 -0.031 0.000 2.320 658 V HA 0.167 4.287 4.120 0.001 0.000 0.268 658 V C 1.103 177.193 176.094 -0.006 0.000 1.021 658 V CA -0.315 61.975 62.300 -0.016 0.000 0.813 658 V CB 0.250 32.069 31.823 -0.007 0.000 1.054 658 V HN 0.661 nan 8.190 nan 0.000 0.444 659 L N 3.641 124.855 121.223 -0.014 0.000 2.030 659 L HA -0.117 4.223 4.340 0.001 0.000 0.222 659 L C 1.508 178.380 176.870 0.003 0.000 1.082 659 L CA 2.006 56.837 54.840 -0.014 0.000 0.785 659 L CB -0.720 41.321 42.059 -0.031 0.000 0.895 659 L HN 0.862 nan 8.230 nan 0.000 0.439 660 G N -1.879 106.925 108.800 0.006 0.000 2.860 660 G HA2 -0.292 3.668 3.960 0.001 0.000 0.553 660 G HA3 -0.292 3.668 3.960 0.001 0.000 0.553 660 G C -0.243 174.688 174.900 0.052 0.000 1.439 660 G CA 0.152 45.291 45.100 0.066 0.000 0.879 660 G HN 0.479 nan 8.290 nan 0.000 0.545 661 H N 1.217 120.286 119.070 -0.002 0.000 2.602 661 H HA 0.121 4.678 4.556 0.001 0.000 0.285 661 H C 2.407 177.736 175.328 0.002 0.000 1.093 661 H CA 0.980 57.030 56.048 0.003 0.000 1.201 661 H CB -0.318 29.446 29.762 0.004 0.000 1.294 661 H HN 0.539 nan 8.280 nan 0.000 0.633 662 M N -0.818 118.834 119.600 0.086 0.000 7.316 662 M HA -0.513 3.967 4.480 0.001 0.000 0.308 662 M C 1.923 178.254 176.300 0.050 0.000 0.480 662 M CA 2.717 58.045 55.300 0.048 0.000 1.310 662 M CB -1.112 31.502 32.600 0.023 0.000 0.426 662 M HN 0.574 nan 8.290 nan 0.000 0.701 663 Q N -1.590 118.235 119.800 0.041 0.000 2.181 663 Q HA 0.006 4.346 4.340 0.001 0.000 0.244 663 Q C 0.830 176.850 176.000 0.034 0.000 0.745 663 Q CA 0.956 56.778 55.803 0.032 0.000 0.934 663 Q CB 0.514 29.261 28.738 0.016 0.000 1.220 663 Q HN 0.485 nan 8.270 nan 0.000 0.478 664 Q N -0.444 119.377 119.800 0.035 0.000 2.143 664 Q HA -0.225 4.116 4.340 0.001 0.000 0.194 664 Q C 0.660 176.673 176.000 0.022 0.000 0.692 664 Q CA 2.137 57.960 55.803 0.034 0.000 1.479 664 Q CB -2.047 26.721 28.738 0.050 0.000 1.858 664 Q HN 0.585 nan 8.270 nan 0.000 0.667 665 G N -0.153 108.655 108.800 0.013 0.000 2.807 665 G HA2 0.258 4.219 3.960 0.001 0.000 0.207 665 G HA3 0.258 4.219 3.960 0.001 0.000 0.207 665 G C 0.822 175.721 174.900 -0.003 0.000 1.151 665 G CA 0.369 45.469 45.100 -0.000 0.000 0.800 665 G HN 0.753 nan 8.290 nan 0.000 0.523 666 G N -0.233 108.571 108.800 0.006 0.000 2.378 666 G HA2 0.292 4.253 3.960 0.001 0.000 0.334 666 G HA3 0.292 4.253 3.960 0.001 0.000 0.334 666 G C 0.041 174.941 174.900 0.000 0.000 1.339 666 G CA 0.566 45.670 45.100 0.006 0.000 1.158 666 G HN 0.496 nan 8.290 nan 0.000 0.636 667 S N 0.290 115.991 115.700 0.001 0.000 2.619 667 S HA 0.543 5.013 4.470 0.001 0.000 0.280 667 S C -2.755 171.844 174.600 -0.001 0.000 1.150 667 S CA -1.058 57.138 58.200 -0.007 0.000 0.978 667 S CB 1.991 65.179 63.200 -0.020 0.000 1.041 667 S HN 0.525 nan 8.310 nan 0.000 0.485 668 P HA -0.017 nan 4.420 nan 0.000 0.257 668 P C 0.470 177.767 177.300 -0.005 0.000 1.153 668 P CA 0.349 63.461 63.100 0.020 0.000 0.762 668 P CB -0.411 31.299 31.700 0.015 0.000 0.743 669 T N 1.921 116.488 114.554 0.021 0.000 2.680 669 T HA 0.118 4.468 4.350 0.001 0.000 0.314 669 T C -1.109 173.563 174.700 -0.048 0.000 1.045 669 T CA -1.187 60.879 62.100 -0.057 0.000 1.025 669 T CB -0.333 68.578 68.868 0.072 0.000 1.000 669 T HN 0.294 nan 8.240 nan 0.000 0.535 670 P HA -0.091 nan 4.420 nan 0.000 0.218 670 P C 1.470 178.773 177.300 0.006 0.000 1.149 670 P CA 0.842 63.906 63.100 -0.060 0.000 0.817 670 P CB -0.137 31.516 31.700 -0.080 0.000 0.785 671 F N 2.552 122.482 119.950 -0.035 0.000 2.026 671 F HA -0.189 4.339 4.527 0.001 0.000 0.296 671 F C 1.881 177.692 175.800 0.018 0.000 1.133 671 F CA 1.935 59.905 58.000 -0.050 0.000 1.188 671 F CB -1.005 37.933 39.000 -0.103 0.000 0.968 671 F HN -0.205 nan 8.300 nan 0.000 0.476 672 D N 0.088 120.575 120.400 0.145 0.000 2.221 672 D HA -0.160 4.480 4.640 0.001 0.000 0.204 672 D C 2.319 178.612 176.300 -0.011 0.000 0.982 672 D CA 1.019 55.082 54.000 0.104 0.000 0.857 672 D CB -0.274 40.644 40.800 0.196 0.000 0.934 672 D HN 0.459 nan 8.370 nan 0.000 0.475 673 R N 0.435 120.915 120.500 -0.034 0.000 2.073 673 R HA -0.037 4.303 4.340 0.001 0.000 0.229 673 R C 1.901 178.155 176.300 -0.077 0.000 1.120 673 R CA 0.904 56.976 56.100 -0.046 0.000 0.967 673 R CB -0.301 29.974 30.300 -0.041 0.000 0.862 673 R HN 0.204 nan 8.270 nan 0.000 0.436 674 N N 0.439 119.065 118.700 -0.122 0.000 2.171 674 N HA -0.094 4.646 4.740 0.001 0.000 0.184 674 N C 1.512 176.958 175.510 -0.107 0.000 1.021 674 N CA 0.782 53.756 53.050 -0.127 0.000 0.854 674 N CB -0.165 38.227 38.487 -0.158 0.000 0.994 674 N HN 0.108 nan 8.380 nan 0.000 0.426 675 F N 1.691 121.367 119.950 -0.456 0.000 2.025 675 F HA -0.317 4.210 4.527 0.001 0.000 0.297 675 F C 2.350 178.010 175.800 -0.233 0.000 1.132 675 F CA 1.134 58.869 58.000 -0.442 0.000 1.191 675 F CB -0.113 38.516 39.000 -0.618 0.000 0.963 675 F HN 0.088 nan 8.300 nan 0.000 0.481 676 A N -0.309 122.417 122.820 -0.157 0.000 1.940 676 A HA -0.224 4.097 4.320 0.001 0.000 0.219 676 A C 2.003 179.492 177.584 -0.159 0.000 1.176 676 A CA 2.322 54.214 52.037 -0.242 0.000 0.631 676 A CB -1.384 17.518 19.000 -0.164 0.000 0.814 676 A HN 0.508 nan 8.150 nan 0.000 0.446 677 T N 0.067 114.558 114.554 -0.104 0.000 2.708 677 T HA -0.156 4.194 4.350 0.001 0.000 0.266 677 T C 1.898 176.551 174.700 -0.079 0.000 1.037 677 T CA 1.795 63.839 62.100 -0.093 0.000 1.146 677 T CB -0.224 68.598 68.868 -0.076 0.000 0.865 677 T HN 0.615 nan 8.240 nan 0.000 0.435 678 K N 0.881 121.253 120.400 -0.046 0.000 1.991 678 K HA -0.070 4.251 4.320 0.001 0.000 0.212 678 K C 2.491 179.063 176.600 -0.047 0.000 1.049 678 K CA 1.337 57.615 56.287 -0.016 0.000 0.932 678 K CB -0.331 32.195 32.500 0.043 0.000 0.717 678 K HN 0.253 nan 8.250 nan 0.000 0.441 679 M N 0.461 120.000 119.600 -0.102 0.000 2.352 679 M HA -0.198 4.282 4.480 0.001 0.000 0.260 679 M C 2.517 178.735 176.300 -0.137 0.000 1.068 679 M CA 2.230 57.423 55.300 -0.179 0.000 1.082 679 M CB -1.789 30.613 32.600 -0.329 0.000 1.262 679 M HN 0.467 nan 8.290 nan 0.000 0.444 680 G N -0.079 108.634 108.800 -0.144 0.000 2.624 680 G HA2 -0.230 3.731 3.960 0.001 0.000 0.221 680 G HA3 -0.230 3.731 3.960 0.001 0.000 0.221 680 G C 1.647 176.503 174.900 -0.073 0.000 1.169 680 G CA 2.187 47.218 45.100 -0.115 0.000 0.771 680 G HN 0.621 nan 8.290 nan 0.000 0.598 681 A N 0.731 123.513 122.820 -0.063 0.000 1.845 681 A HA -0.015 4.305 4.320 0.001 0.000 0.215 681 A C 2.217 179.815 177.584 0.023 0.000 1.195 681 A CA 2.500 54.519 52.037 -0.031 0.000 0.616 681 A CB -0.568 18.413 19.000 -0.033 0.000 0.832 681 A HN 0.396 nan 8.150 nan 0.000 0.443 682 K N 0.117 120.538 120.400 0.036 0.000 2.000 682 K HA -0.157 4.163 4.320 0.001 0.000 0.218 682 K C 2.054 178.775 176.600 0.202 0.000 1.053 682 K CA 2.258 58.614 56.287 0.114 0.000 0.946 682 K CB -0.868 31.671 32.500 0.064 0.000 0.723 682 K HN 0.361 nan 8.250 nan 0.000 0.446 683 A N 0.301 123.190 122.820 0.116 0.000 1.915 683 A HA -0.265 4.055 4.320 0.001 0.000 0.220 683 A C 2.238 179.941 177.584 0.199 0.000 1.198 683 A CA 2.596 54.722 52.037 0.149 0.000 0.647 683 A CB -0.734 18.254 19.000 -0.021 0.000 0.825 683 A HN 0.563 nan 8.150 nan 0.000 0.456 684 M N -0.155 119.514 119.600 0.115 0.000 2.557 684 M HA 0.008 4.489 4.480 0.001 0.000 0.259 684 M C 1.232 177.614 176.300 0.137 0.000 1.086 684 M CA 1.072 56.437 55.300 0.108 0.000 1.096 684 M CB -0.469 32.149 32.600 0.029 0.000 1.424 684 M HN 0.414 nan 8.290 nan 0.000 0.488 685 N N -1.516 117.282 118.700 0.163 0.000 2.336 685 N HA -0.087 4.653 4.740 0.001 0.000 0.177 685 N C 1.384 176.996 175.510 0.170 0.000 1.018 685 N CA 0.964 54.096 53.050 0.137 0.000 0.878 685 N CB -0.375 38.186 38.487 0.122 0.000 0.997 685 N HN 0.608 nan 8.380 nan 0.000 0.433 686 W N 1.936 123.206 121.300 -0.050 0.000 2.378 686 W HA -0.020 4.640 4.660 0.001 0.000 0.313 686 W C 2.152 178.582 176.519 -0.148 0.000 1.197 686 W CA 0.972 58.180 57.345 -0.229 0.000 1.304 686 W CB -0.138 29.003 29.460 -0.532 0.000 1.148 686 W HN -0.138 nan 8.180 nan 0.000 0.494 687 M N 0.764 120.694 119.600 0.550 0.000 2.195 687 M HA -0.226 4.254 4.480 0.001 0.000 0.260 687 M C 2.057 178.401 176.300 0.074 0.000 1.066 687 M CA 2.014 57.520 55.300 0.345 0.000 1.089 687 M CB -1.612 31.181 32.600 0.322 0.000 1.377 687 M HN 0.317 nan 8.290 nan 0.000 0.411 688 A N -0.894 121.971 122.820 0.076 0.000 2.067 688 A HA 0.155 4.475 4.320 0.001 0.000 0.217 688 A C 2.280 179.857 177.584 -0.011 0.000 1.156 688 A CA 1.398 53.479 52.037 0.073 0.000 0.683 688 A CB -0.925 18.137 19.000 0.102 0.000 0.808 688 A HN 0.509 nan 8.150 nan 0.000 0.455 689 G N 0.104 108.844 108.800 -0.100 0.000 2.454 689 G HA2 -0.129 3.832 3.960 0.001 0.000 0.214 689 G HA3 -0.129 3.832 3.960 0.001 0.000 0.214 689 G C 1.531 176.254 174.900 -0.295 0.000 1.217 689 G CA 0.714 45.703 45.100 -0.186 0.000 0.799 689 G HN 0.326 nan 8.290 nan 0.000 0.538 690 K N 0.426 120.531 120.400 -0.492 0.000 2.160 690 K HA -0.054 4.267 4.320 0.001 0.000 0.206 690 K C 2.379 178.764 176.600 -0.357 0.000 1.047 690 K CA 0.667 56.630 56.287 -0.540 0.000 0.930 690 K CB -0.414 31.568 32.500 -0.864 0.000 0.720 690 K HN 0.303 nan 8.250 nan 0.000 0.450 691 I N 1.154 121.528 120.570 -0.328 0.000 2.202 691 I HA -0.219 3.951 4.170 0.001 0.000 0.242 691 I C 2.472 178.282 176.117 -0.511 0.000 1.091 691 I CA 1.044 62.089 61.300 -0.424 0.000 1.368 691 I CB -0.815 36.855 38.000 -0.551 0.000 1.058 691 I HN 0.242 nan 8.210 nan 0.000 0.410 692 K N 1.560 121.707 120.400 -0.420 0.000 2.032 692 K HA -0.255 4.066 4.320 0.001 0.000 0.209 692 K C 2.038 178.578 176.600 -0.101 0.000 1.048 692 K CA 1.972 58.142 56.287 -0.194 0.000 0.927 692 K CB -0.170 32.336 32.500 0.011 0.000 0.712 692 K HN 0.368 nan 8.250 nan 0.000 0.441 693 E N -0.053 120.060 120.200 -0.145 0.000 2.209 693 E HA -0.121 4.229 4.350 0.001 0.000 0.196 693 E C 0.659 177.204 176.600 -0.092 0.000 0.993 693 E CA 1.334 57.661 56.400 -0.122 0.000 0.819 693 E CB 0.071 29.656 29.700 -0.192 0.000 0.745 693 E HN 0.153 nan 8.360 nan 0.000 0.477 694 S N -0.438 115.198 115.700 -0.106 0.000 2.568 694 S HA 0.076 4.546 4.470 0.001 0.000 0.232 694 S C -0.762 173.863 174.600 0.041 0.000 0.975 694 S CA -0.548 57.622 58.200 -0.050 0.000 0.949 694 S CB 0.075 63.215 63.200 -0.100 0.000 0.829 694 S HN 0.324 nan 8.310 nan 0.000 0.479 695 Y N 2.580 122.822 120.300 -0.097 0.000 2.383 695 Y HA 0.546 5.096 4.550 0.001 0.000 0.344 695 Y C 0.586 176.483 175.900 -0.005 0.000 0.986 695 Y CA -0.455 57.614 58.100 -0.052 0.000 1.175 695 Y CB 0.211 38.632 38.460 -0.066 0.000 1.152 695 Y HN -0.009 nan 8.280 nan 0.000 0.511 696 R N 2.272 122.518 120.500 -0.424 0.000 2.596 696 R HA 0.167 4.508 4.340 0.001 0.000 0.106 696 R C -0.017 176.013 176.300 -0.450 0.000 1.264 696 R CA -0.139 55.745 56.100 -0.360 0.000 1.064 696 R CB 0.189 30.398 30.300 -0.153 0.000 0.912 696 R HN 0.755 nan 8.270 nan 0.000 0.396 697 N N 1.630 120.171 118.700 -0.264 0.000 2.736 697 N HA -0.009 4.731 4.740 0.001 0.000 0.307 697 N C 0.485 175.868 175.510 -0.211 0.000 1.212 697 N CA 1.182 54.109 53.050 -0.204 0.000 1.158 697 N CB 0.155 38.556 38.487 -0.144 0.000 1.460 697 N HN 0.785 nan 8.380 nan 0.000 0.514 698 G N 1.052 109.669 108.800 -0.304 0.000 2.230 698 G HA2 -0.386 3.574 3.960 0.001 0.000 0.270 698 G HA3 -0.386 3.574 3.960 0.001 0.000 0.270 698 G C 0.205 175.076 174.900 -0.048 0.000 0.987 698 G CA 1.265 46.269 45.100 -0.159 0.000 0.664 698 G HN 0.893 nan 8.290 nan 0.000 0.539 699 R N -0.946 119.488 120.500 -0.110 0.000 2.869 699 R HA 0.800 5.141 4.340 0.001 0.000 0.263 699 R C -0.024 176.328 176.300 0.087 0.000 1.066 699 R CA -0.919 55.217 56.100 0.061 0.000 0.960 699 R CB 1.081 31.417 30.300 0.061 0.000 1.221 699 R HN 0.691 nan 8.270 nan 0.000 0.474 700 I N -1.644 119.023 120.570 0.163 0.000 2.377 700 I HA 0.558 4.729 4.170 0.001 0.000 0.293 700 I C -1.364 174.844 176.117 0.152 0.000 0.987 700 I CA -0.711 60.677 61.300 0.147 0.000 1.185 700 I CB 1.443 39.503 38.000 0.099 0.000 1.341 700 I HN 0.553 nan 8.210 nan 0.000 0.455 701 F N 6.452 126.386 119.950 -0.026 0.000 2.434 701 F HA 0.759 5.287 4.527 0.001 0.000 0.355 701 F C -0.343 175.435 175.800 -0.036 0.000 1.115 701 F CA -0.764 57.219 58.000 -0.028 0.000 1.010 701 F CB 1.422 40.398 39.000 -0.040 0.000 1.234 701 F HN 0.705 nan 8.300 nan 0.000 0.439 702 A N 4.851 127.385 122.820 -0.476 0.000 2.267 702 A HA 0.416 4.736 4.320 0.001 0.000 0.315 702 A C -0.121 177.152 177.584 -0.517 0.000 1.297 702 A CA -0.493 51.327 52.037 -0.363 0.000 0.865 702 A CB 0.269 19.137 19.000 -0.221 0.000 1.165 702 A HN 0.904 nan 8.150 nan 0.000 0.513 703 N N 1.704 120.157 118.700 -0.412 0.000 2.377 703 N HA 0.101 4.841 4.740 0.001 0.000 0.259 703 N C -0.074 175.366 175.510 -0.116 0.000 1.332 703 N CA 0.219 53.085 53.050 -0.307 0.000 0.877 703 N CB 0.568 38.880 38.487 -0.291 0.000 1.299 703 N HN 0.744 nan 8.380 nan 0.000 0.501 704 T N -3.206 111.285 114.554 -0.105 0.000 2.950 704 T HA 0.435 4.785 4.350 0.001 0.000 0.288 704 T C -2.233 172.437 174.700 -0.051 0.000 1.035 704 T CA -1.663 60.402 62.100 -0.058 0.000 1.028 704 T CB 1.922 70.756 68.868 -0.057 0.000 1.109 704 T HN -0.225 nan 8.240 nan 0.000 0.514 705 P HA 0.061 nan 4.420 nan 0.000 0.230 705 P C 0.280 177.576 177.300 -0.007 0.000 1.158 705 P CA 0.705 63.802 63.100 -0.004 0.000 0.769 705 P CB -0.161 31.551 31.700 0.020 0.000 0.807 706 D N -2.751 117.639 120.400 -0.017 0.000 2.427 706 D HA 0.059 4.700 4.640 0.001 0.000 0.224 706 D C 0.788 177.081 176.300 -0.013 0.000 1.157 706 D CA -0.036 53.974 54.000 0.018 0.000 0.828 706 D CB -0.310 40.496 40.800 0.010 0.000 0.974 706 D HN -0.091 nan 8.370 nan 0.000 0.498 707 S N -0.583 115.063 115.700 -0.089 0.000 2.511 707 S HA 0.259 4.729 4.470 0.001 0.000 0.214 707 S C 1.262 175.787 174.600 -0.126 0.000 0.997 707 S CA -0.267 57.840 58.200 -0.155 0.000 0.908 707 S CB 0.991 64.079 63.200 -0.187 0.000 0.803 707 S HN 0.425 nan 8.310 nan 0.000 0.504 708 G N 1.168 109.772 108.800 -0.326 0.000 4.160 708 G HA2 0.492 4.452 3.960 0.001 0.000 0.341 708 G HA3 0.492 4.452 3.960 0.001 0.000 0.341 708 G C -0.066 174.515 174.900 -0.532 0.000 1.510 708 G CA -0.336 44.091 45.100 -1.121 0.000 1.011 708 G HN 0.294 nan 8.290 nan 0.000 0.491 709 C N -0.156 119.032 119.300 -0.187 0.000 2.576 709 C HA 0.777 5.237 4.460 0.001 0.000 0.394 709 C C 0.359 175.328 174.990 -0.035 0.000 1.876 709 C CA -0.528 58.476 59.018 -0.023 0.000 1.858 709 C CB 1.491 29.302 27.740 0.119 0.000 1.943 709 C HN 0.356 nan 8.230 nan 0.000 0.479 710 V N 1.433 121.310 119.914 -0.062 0.000 2.509 710 V HA 0.236 4.356 4.120 0.001 0.000 0.289 710 V C -0.652 175.281 176.094 -0.268 0.000 1.026 710 V CA -0.124 62.106 62.300 -0.117 0.000 0.872 710 V CB 1.378 33.141 31.823 -0.100 0.000 1.017 710 V HN 0.623 nan 8.190 nan 0.000 0.436 711 L N 6.216 127.175 121.223 -0.440 0.000 2.451 711 L HA 0.580 4.920 4.340 0.001 0.000 0.272 711 L C 0.790 177.416 176.870 -0.406 0.000 1.258 711 L CA 0.745 55.168 54.840 -0.695 0.000 1.132 711 L CB -0.303 41.230 42.059 -0.876 0.000 1.361 711 L HN 0.638 nan 8.230 nan 0.000 0.438 712 G N 3.877 112.505 108.800 -0.288 0.000 2.521 712 G HA2 0.491 4.451 3.960 0.001 0.000 0.323 712 G HA3 0.491 4.451 3.960 0.001 0.000 0.323 712 G C -0.868 173.975 174.900 -0.095 0.000 1.211 712 G CA -0.793 44.216 45.100 -0.152 0.000 0.979 712 G HN 0.431 nan 8.290 nan 0.000 0.490 713 M N 1.130 120.728 119.600 -0.004 0.000 2.181 713 M HA 0.454 4.934 4.480 0.001 0.000 0.323 713 M C -0.932 175.324 176.300 -0.073 0.000 1.004 713 M CA -0.640 54.670 55.300 0.016 0.000 0.941 713 M CB 1.261 33.958 32.600 0.162 0.000 1.579 713 M HN 0.444 nan 8.290 nan 0.000 0.427 714 R N 4.571 125.023 120.500 -0.080 0.000 2.621 714 R HA 0.555 4.896 4.340 0.001 0.000 0.284 714 R C -0.126 176.115 176.300 -0.098 0.000 0.998 714 R CA -0.911 55.119 56.100 -0.117 0.000 0.895 714 R CB 1.672 31.924 30.300 -0.080 0.000 1.195 714 R HN 0.700 nan 8.270 nan 0.000 0.450 715 K N 1.118 121.435 120.400 -0.139 0.000 1.939 715 K HA -0.302 4.019 4.320 0.001 0.000 0.165 715 K C 1.023 177.583 176.600 -0.066 0.000 1.508 715 K CA 1.543 57.769 56.287 -0.101 0.000 0.525 715 K CB -0.652 31.814 32.500 -0.057 0.000 0.615 715 K HN 0.795 nan 8.250 nan 0.000 0.888 716 R N 1.106 121.587 120.500 -0.032 0.000 2.313 716 R HA 0.246 4.586 4.340 0.001 0.000 0.199 716 R C 0.708 177.011 176.300 0.004 0.000 0.958 716 R CA 0.652 56.746 56.100 -0.009 0.000 1.047 716 R CB 0.159 30.461 30.300 0.004 0.000 0.955 716 R HN 0.456 nan 8.270 nan 0.000 0.481 717 A N 0.805 123.625 122.820 -0.001 0.000 2.354 717 A HA 0.528 4.849 4.320 0.001 0.000 0.321 717 A C -1.193 176.394 177.584 0.005 0.000 1.125 717 A CA -0.686 51.359 52.037 0.014 0.000 0.799 717 A CB 1.162 20.176 19.000 0.023 0.000 1.293 717 A HN 0.136 nan 8.150 nan 0.000 0.452 718 L N 2.491 123.722 121.223 0.014 0.000 2.297 718 L HA 0.517 4.857 4.340 0.001 0.000 0.277 718 L C -0.121 176.716 176.870 -0.056 0.000 1.040 718 L CA -0.277 54.550 54.840 -0.022 0.000 0.867 718 L CB 0.936 42.993 42.059 -0.004 0.000 1.244 718 L HN 0.695 nan 8.230 nan 0.000 0.433 719 V N 1.503 121.369 119.914 -0.080 0.000 2.713 719 V HA 0.572 4.693 4.120 0.001 0.000 0.307 719 V C -0.455 175.559 176.094 -0.134 0.000 1.052 719 V CA -0.468 61.817 62.300 -0.026 0.000 0.967 719 V CB 1.651 33.485 31.823 0.019 0.000 1.019 719 V HN 0.477 nan 8.190 nan 0.000 0.459 720 F N 2.721 122.648 119.950 -0.038 0.000 2.329 720 F HA 0.529 5.056 4.527 0.001 0.000 0.362 720 F C 0.638 176.426 175.800 -0.020 0.000 1.113 720 F CA -0.167 57.779 58.000 -0.090 0.000 1.212 720 F CB 0.748 39.707 39.000 -0.068 0.000 1.509 720 F HN 0.606 nan 8.300 nan 0.000 0.546 721 Q N 5.059 124.899 119.800 0.068 0.000 2.293 721 Q HA 0.285 4.625 4.340 0.001 0.000 0.251 721 Q C -2.300 173.745 176.000 0.075 0.000 0.930 721 Q CA -1.950 53.890 55.803 0.062 0.000 0.893 721 Q CB 0.875 29.614 28.738 0.002 0.000 1.215 721 Q HN 0.244 nan 8.270 nan 0.000 0.425 722 P HA -0.037 nan 4.420 nan 0.000 0.284 722 P C 0.665 178.037 177.300 0.120 0.000 1.253 722 P CA -0.226 62.927 63.100 0.088 0.000 0.800 722 P CB 1.251 32.997 31.700 0.076 0.000 0.961 723 V N 2.013 122.029 119.914 0.170 0.000 2.250 723 V HA -0.327 3.794 4.120 0.001 0.000 0.253 723 V C 2.233 178.496 176.094 0.282 0.000 1.065 723 V CA 3.094 65.581 62.300 0.313 0.000 1.039 723 V CB -3.061 28.986 31.823 0.373 0.000 0.647 723 V HN 0.614 nan 8.190 nan 0.000 0.446 724 T N -0.921 113.747 114.554 0.189 0.000 2.699 724 T HA -0.285 4.065 4.350 0.001 0.000 0.268 724 T C 1.760 176.547 174.700 0.144 0.000 1.036 724 T CA 1.880 64.069 62.100 0.149 0.000 1.147 724 T CB -0.733 68.197 68.868 0.103 0.000 0.862 724 T HN 0.647 nan 8.240 nan 0.000 0.446 725 E N 0.618 120.892 120.200 0.122 0.000 2.401 725 E HA 0.045 4.395 4.350 0.001 0.000 0.199 725 E C 1.706 178.370 176.600 0.107 0.000 1.023 725 E CA 0.450 56.909 56.400 0.099 0.000 0.859 725 E CB -0.231 29.514 29.700 0.075 0.000 0.780 725 E HN 0.555 nan 8.360 nan 0.000 0.523 726 L N 0.053 121.367 121.223 0.151 0.000 2.554 726 L HA 0.002 4.342 4.340 0.001 0.000 0.225 726 L C 2.055 179.050 176.870 0.210 0.000 1.104 726 L CA 0.046 54.962 54.840 0.126 0.000 0.866 726 L CB 0.035 42.114 42.059 0.035 0.000 1.047 726 L HN 0.042 nan 8.230 nan 0.000 0.468 727 Q N 1.023 121.009 119.800 0.310 0.000 2.030 727 Q HA -0.219 4.121 4.340 0.001 0.000 0.204 727 Q C 1.773 177.961 176.000 0.313 0.000 0.986 727 Q CA 1.934 57.997 55.803 0.435 0.000 0.843 727 Q CB -0.397 28.548 28.738 0.344 0.000 0.904 727 Q HN 0.631 nan 8.270 nan 0.000 0.420 728 N N 0.658 119.474 118.700 0.194 0.000 2.430 728 N HA -0.220 4.521 4.740 0.001 0.000 0.186 728 N C 1.321 176.890 175.510 0.099 0.000 1.032 728 N CA 1.229 54.360 53.050 0.135 0.000 0.893 728 N CB -0.190 38.353 38.487 0.092 0.000 0.957 728 N HN 0.418 nan 8.380 nan 0.000 0.442 729 Q N 0.128 119.979 119.800 0.086 0.000 2.376 729 Q HA 0.029 4.369 4.340 0.001 0.000 0.206 729 Q C 1.025 177.021 176.000 -0.008 0.000 0.921 729 Q CA 0.700 56.520 55.803 0.028 0.000 0.911 729 Q CB 0.399 29.140 28.738 0.004 0.000 1.032 729 Q HN 0.545 nan 8.270 nan 0.000 0.510 730 T N -1.406 113.132 114.554 -0.027 0.000 2.867 730 T HA 0.151 4.501 4.350 0.001 0.000 0.286 730 T C -0.377 174.250 174.700 -0.121 0.000 1.022 730 T CA -0.663 61.344 62.100 -0.155 0.000 0.933 730 T CB 1.433 70.038 68.868 -0.438 0.000 1.280 730 T HN -0.037 nan 8.240 nan 0.000 0.566 731 D N 0.038 120.349 120.400 -0.147 0.000 2.429 731 D HA 0.209 4.849 4.640 0.001 0.000 0.255 731 D C 0.056 176.329 176.300 -0.045 0.000 1.257 731 D CA -0.769 53.221 54.000 -0.015 0.000 0.890 731 D CB -0.495 40.353 40.800 0.080 0.000 1.267 731 D HN 0.450 nan 8.370 nan 0.000 0.521 732 F N 1.023 121.056 119.950 0.138 0.000 2.373 732 F HA -0.093 4.434 4.527 0.001 0.000 0.300 732 F C 2.259 178.024 175.800 -0.057 0.000 1.080 732 F CA 0.946 59.025 58.000 0.133 0.000 1.417 732 F CB -0.149 38.925 39.000 0.124 0.000 1.070 732 F HN 0.368 nan 8.300 nan 0.000 0.546 733 E N 0.318 120.486 120.200 -0.053 0.000 2.017 733 E HA -0.200 4.150 4.350 0.001 0.000 0.193 733 E C 1.272 177.592 176.600 -0.466 0.000 0.997 733 E CA 1.652 57.850 56.400 -0.336 0.000 0.804 733 E CB -0.312 29.008 29.700 -0.633 0.000 0.757 733 E HN 0.427 nan 8.360 nan 0.000 0.448 734 H N 0.220 119.137 119.070 -0.255 0.000 2.550 734 H HA 0.348 4.904 4.556 0.001 0.000 0.304 734 H C -0.072 175.119 175.328 -0.228 0.000 1.086 734 H CA 0.199 55.945 56.048 -0.504 0.000 1.089 734 H CB -0.173 29.125 29.762 -0.774 0.000 1.528 734 H HN 0.178 nan 8.280 nan 0.000 0.539 735 R N 0.856 121.241 120.500 -0.192 0.000 3.424 735 R HA -0.185 4.155 4.340 0.001 0.000 0.247 735 R C 0.172 176.384 176.300 -0.146 0.000 1.000 735 R CA 0.835 56.578 56.100 -0.596 0.000 0.672 735 R CB -1.938 27.727 30.300 -1.058 0.000 1.042 735 R HN 0.541 nan 8.270 nan 0.000 0.470 736 I N -3.737 116.915 120.570 0.137 0.000 2.740 736 I HA 0.692 4.862 4.170 0.001 0.000 0.303 736 I C -2.520 173.704 176.117 0.177 0.000 1.044 736 I CA -3.214 58.224 61.300 0.228 0.000 1.064 736 I CB 2.632 40.788 38.000 0.261 0.000 1.249 736 I HN -0.279 nan 8.210 nan 0.000 0.433 737 P HA 0.276 nan 4.420 nan 0.000 0.277 737 P C -1.422 175.878 177.300 -0.001 0.000 1.240 737 P CA -0.422 62.691 63.100 0.023 0.000 0.798 737 P CB 0.873 32.559 31.700 -0.023 0.000 0.979 738 K N 1.087 121.474 120.400 -0.020 0.000 2.154 738 K HA 0.262 4.583 4.320 0.001 0.000 0.264 738 K C -0.164 176.394 176.600 -0.071 0.000 1.008 738 K CA -0.472 55.796 56.287 -0.032 0.000 0.937 738 K CB 0.244 32.737 32.500 -0.011 0.000 1.002 738 K HN 0.358 nan 8.250 nan 0.000 0.469 739 E N 1.638 121.774 120.200 -0.107 0.000 6.165 739 E HA -0.193 4.158 4.350 0.001 0.000 0.190 739 E C -1.239 175.246 176.600 -0.192 0.000 1.399 739 E CA 0.702 57.026 56.400 -0.128 0.000 1.382 739 E CB -0.969 28.688 29.700 -0.072 0.000 0.979 739 E HN 0.610 nan 8.360 nan 0.000 0.311 740 Q N 2.134 121.720 119.800 -0.356 0.000 2.320 740 Q HA 0.175 4.516 4.340 0.001 0.000 0.268 740 Q C 1.439 177.043 176.000 -0.660 0.000 1.023 740 Q CA -0.683 54.749 55.803 -0.619 0.000 0.744 740 Q CB 1.095 29.167 28.738 -1.111 0.000 1.246 740 Q HN 0.694 nan 8.270 nan 0.000 0.462 741 W N 4.959 126.036 121.300 -0.371 0.000 2.304 741 W HA -0.247 4.414 4.660 0.001 0.000 0.315 741 W C 1.057 177.537 176.519 -0.065 0.000 1.233 741 W CA 1.488 58.727 57.345 -0.176 0.000 1.261 741 W CB -0.922 28.490 29.460 -0.080 0.000 1.150 741 W HN 0.834 nan 8.180 nan 0.000 0.494 742 W N 1.073 121.697 121.300 -1.126 0.000 2.387 742 W HA -0.094 4.566 4.660 0.001 0.000 0.272 742 W C 1.760 178.064 176.519 -0.357 0.000 1.224 742 W CA 0.450 57.164 57.345 -1.052 0.000 1.210 742 W CB -1.663 26.936 29.460 -1.434 0.000 1.125 742 W HN -0.066 nan 8.180 nan 0.000 0.572 743 L N 1.663 122.674 121.223 -0.353 0.000 2.651 743 L HA -0.162 4.178 4.340 0.001 0.000 0.236 743 L C 2.733 179.592 176.870 -0.017 0.000 1.173 743 L CA 1.507 56.241 54.840 -0.177 0.000 0.843 743 L CB -0.517 41.274 42.059 -0.447 0.000 0.964 743 L HN -0.021 nan 8.230 nan 0.000 0.454 744 K N -0.531 119.888 120.400 0.032 0.000 2.400 744 K HA 0.003 4.323 4.320 0.001 0.000 0.194 744 K C 1.774 178.436 176.600 0.103 0.000 1.033 744 K CA 0.288 56.618 56.287 0.071 0.000 1.021 744 K CB 0.229 32.794 32.500 0.107 0.000 0.808 744 K HN 0.332 nan 8.250 nan 0.000 0.505 745 L N 0.593 121.895 121.223 0.132 0.000 2.313 745 L HA -0.041 4.299 4.340 0.001 0.000 0.214 745 L C 2.113 179.024 176.870 0.068 0.000 1.119 745 L CA 0.228 55.135 54.840 0.113 0.000 0.809 745 L CB -0.279 41.849 42.059 0.115 0.000 0.933 745 L HN 0.071 nan 8.230 nan 0.000 0.449 746 R N 0.714 121.257 120.500 0.072 0.000 2.140 746 R HA -0.191 4.149 4.340 0.001 0.000 0.250 746 R C -0.393 175.908 176.300 0.002 0.000 1.150 746 R CA 1.828 57.947 56.100 0.031 0.000 0.966 746 R CB -2.151 28.168 30.300 0.032 0.000 0.869 746 R HN 0.420 nan 8.270 nan 0.000 0.445 747 P HA -0.047 nan 4.420 nan 0.000 0.231 747 P C 1.515 178.835 177.300 0.034 0.000 1.168 747 P CA 1.014 64.126 63.100 0.020 0.000 0.779 747 P CB -0.202 31.524 31.700 0.043 0.000 0.844 748 I N -3.658 116.938 120.570 0.043 0.000 2.716 748 I HA -0.046 4.124 4.170 0.001 0.000 0.259 748 I C 2.011 178.142 176.117 0.023 0.000 1.172 748 I CA 0.555 61.884 61.300 0.049 0.000 1.478 748 I CB -0.947 37.086 38.000 0.054 0.000 1.104 748 I HN -0.219 nan 8.210 nan 0.000 0.439 749 L N 1.722 122.947 121.223 0.002 0.000 2.191 749 L HA -0.071 4.269 4.340 0.001 0.000 0.212 749 L C 2.174 179.047 176.870 0.004 0.000 1.103 749 L CA 1.661 56.492 54.840 -0.016 0.000 0.769 749 L CB -0.901 41.129 42.059 -0.047 0.000 0.908 749 L HN 0.229 nan 8.230 nan 0.000 0.438 750 K N -0.711 119.688 120.400 -0.002 0.000 2.242 750 K HA 0.073 4.394 4.320 0.001 0.000 0.200 750 K C 1.956 178.579 176.600 0.038 0.000 1.050 750 K CA 1.144 57.449 56.287 0.029 0.000 0.981 750 K CB -0.027 32.417 32.500 -0.094 0.000 0.795 750 K HN 0.474 nan 8.250 nan 0.000 0.477 751 I N -0.853 119.691 120.570 -0.044 0.000 2.546 751 I HA -0.097 4.073 4.170 0.001 0.000 0.255 751 I C 0.894 177.011 176.117 0.000 0.000 1.163 751 I CA 1.270 62.434 61.300 -0.226 0.000 1.457 751 I CB -0.250 37.629 38.000 -0.202 0.000 1.092 751 I HN -0.096 nan 8.210 nan 0.000 0.434 752 L N 2.101 123.381 121.223 0.096 0.000 2.821 752 L HA 0.469 4.809 4.340 0.001 0.000 0.239 752 L C 0.553 177.569 176.870 0.243 0.000 1.391 752 L CA 0.223 55.164 54.840 0.169 0.000 1.231 752 L CB -0.843 41.242 42.059 0.043 0.000 1.598 752 L HN 0.555 nan 8.230 nan 0.000 0.428 753 A N 0.102 123.097 122.820 0.292 0.000 2.331 753 A HA 0.266 4.587 4.320 0.001 0.000 0.222 753 A C 0.444 177.957 177.584 -0.118 0.000 2.613 753 A CA -0.003 52.124 52.037 0.151 0.000 1.791 753 A CB -0.103 18.954 19.000 0.096 0.000 0.519 753 A HN 0.331 nan 8.150 nan 0.000 0.763 754 K N -0.868 119.362 120.400 -0.283 0.000 2.679 754 K HA -0.277 4.043 4.320 0.001 0.000 0.152 754 K C 0.136 176.539 176.600 -0.328 0.000 1.072 754 K CA 2.121 58.104 56.287 -0.507 0.000 0.373 754 K CB -1.932 30.344 32.500 -0.374 0.000 0.710 754 K HN 1.654 nan 8.250 nan 0.000 0.730 755 Y N 0.433 120.592 120.300 -0.234 0.000 2.509 755 Y HA -0.303 4.247 4.550 0.001 0.000 0.025 755 Y C 1.089 176.830 175.900 -0.265 0.000 1.704 755 Y CA 1.398 59.301 58.100 -0.328 0.000 1.417 755 Y CB -0.365 37.875 38.460 -0.367 0.000 2.062 755 Y HN 0.784 nan 8.280 nan 0.000 0.254 756 E N 0.000 120.232 120.200 0.054 0.000 2.725 756 E HA 0.000 4.350 4.350 0.001 0.000 0.291 756 E CA 0.000 56.432 56.400 0.053 0.000 0.976 756 E CB 0.000 29.733 29.700 0.055 0.000 0.812 756 E HN 0.000 nan 8.360 nan 0.000 0.440