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_A 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 0.000 177.572 177.584 -0.020 0.000 1.274 9 A CA 0.000 52.068 52.037 0.052 0.000 0.836 9 A CB 0.000 19.016 19.000 0.026 0.000 0.831 10 R N -0.133 120.295 120.500 -0.121 0.000 2.170 10 R HA -0.117 4.223 4.340 -0.000 0.000 0.242 10 R C 1.695 177.911 176.300 -0.139 0.000 1.145 10 R CA 2.118 58.065 56.100 -0.255 0.000 0.984 10 R CB -0.631 29.501 30.300 -0.280 0.000 0.869 10 R HN 0.814 nan 8.270 nan 0.000 0.455 11 T N 0.452 114.962 114.554 -0.073 0.000 3.081 11 T HA 0.073 4.423 4.350 -0.000 0.000 0.250 11 T C 1.630 176.318 174.700 -0.021 0.000 1.100 11 T CA -0.139 61.934 62.100 -0.045 0.000 1.038 11 T CB 0.027 68.877 68.868 -0.030 0.000 0.962 11 T HN 0.057 nan 8.240 nan 0.000 0.516 12 L N 1.665 122.882 121.223 -0.010 0.000 1.943 12 L HA 0.215 4.555 4.340 -0.000 0.000 0.215 12 L C 2.295 179.172 176.870 0.012 0.000 1.074 12 L CA 2.427 57.273 54.840 0.011 0.000 0.759 12 L CB -1.114 40.963 42.059 0.030 0.000 0.888 12 L HN 0.269 nan 8.230 nan 0.000 0.433 13 G N -0.389 108.418 108.800 0.013 0.000 3.155 13 G HA2 0.184 4.144 3.960 -0.000 0.000 0.213 13 G HA3 0.184 4.144 3.960 -0.000 0.000 0.213 13 G C 0.161 175.062 174.900 0.002 0.000 1.196 13 G CA 0.068 45.176 45.100 0.014 0.000 0.846 13 G HN 0.199 nan 8.290 nan 0.000 0.516 14 V N 0.477 120.387 119.914 -0.007 0.000 2.637 14 V HA 0.508 4.628 4.120 -0.000 0.000 0.296 14 V C 1.409 177.503 176.094 -0.000 0.000 1.046 14 V CA 0.637 62.930 62.300 -0.012 0.000 1.066 14 V CB 0.760 32.572 31.823 -0.019 0.000 0.968 14 V HN 0.683 nan 8.190 nan 0.000 0.483 15 G N 3.296 112.097 108.800 0.001 0.000 2.351 15 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.297 15 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.297 15 G C -0.248 174.663 174.900 0.018 0.000 1.054 15 G CA 0.047 45.153 45.100 0.010 0.000 1.123 15 G HN 0.573 nan 8.290 nan 0.000 0.512 16 K N -1.253 119.160 120.400 0.022 0.000 2.583 16 K HA 0.744 5.064 4.320 -0.000 0.000 0.260 16 K C -0.574 176.046 176.600 0.035 0.000 0.931 16 K CA 0.097 56.404 56.287 0.033 0.000 0.849 16 K CB 1.713 34.230 32.500 0.028 0.000 1.347 16 K HN 1.304 nan 8.250 nan 0.000 0.425 17 A N 2.963 125.824 122.820 0.068 0.000 2.449 17 A HA 0.893 5.213 4.320 -0.000 0.000 0.302 17 A C -0.798 176.863 177.584 0.127 0.000 1.048 17 A CA -0.873 51.219 52.037 0.092 0.000 0.708 17 A CB 1.037 20.170 19.000 0.221 0.000 1.274 17 A HN 0.675 nan 8.150 nan 0.000 0.410 18 I N -1.174 119.460 120.570 0.108 0.000 2.828 18 I HA 0.924 5.094 4.170 -0.000 0.000 0.302 18 I C -0.325 175.897 176.117 0.174 0.000 1.101 18 I CA -1.102 60.266 61.300 0.114 0.000 1.031 18 I CB 2.400 40.425 38.000 0.042 0.000 1.231 18 I HN 0.766 nan 8.210 nan 0.000 0.427 19 A N 5.130 128.047 122.820 0.162 0.000 2.304 19 A HA 0.690 5.010 4.320 -0.000 0.000 0.314 19 A C -0.808 176.835 177.584 0.097 0.000 1.187 19 A CA -0.640 51.504 52.037 0.178 0.000 0.810 19 A CB 1.458 20.557 19.000 0.166 0.000 1.183 19 A HN 0.730 nan 8.150 nan 0.000 0.487 20 V N 4.207 124.181 119.914 0.100 0.000 2.837 20 V HA 0.831 4.951 4.120 -0.000 0.000 0.310 20 V C -0.453 175.651 176.094 0.016 0.000 1.059 20 V CA -0.556 61.773 62.300 0.048 0.000 1.004 20 V CB 1.513 33.375 31.823 0.065 0.000 1.045 20 V HN 0.977 nan 8.190 nan 0.000 0.465 21 L N 4.164 125.340 121.223 -0.077 0.000 2.506 21 L HA 0.605 4.945 4.340 -0.000 0.000 0.257 21 L C -0.993 175.746 176.870 -0.217 0.000 0.964 21 L CA -0.291 54.449 54.840 -0.166 0.000 0.836 21 L CB 2.400 44.306 42.059 -0.254 0.000 1.384 21 L HN 0.707 nan 8.230 nan 0.000 0.410 22 T N 2.145 116.558 114.554 -0.235 0.000 3.155 22 T HA 0.326 4.676 4.350 -0.000 0.000 0.384 22 T C -0.070 174.498 174.700 -0.219 0.000 1.351 22 T CA -0.044 61.926 62.100 -0.216 0.000 1.198 22 T CB 0.502 69.254 68.868 -0.193 0.000 1.106 22 T HN 0.712 nan 8.240 nan 0.000 0.564 23 S N 3.394 118.936 115.700 -0.264 0.000 2.549 23 S HA 0.771 5.241 4.470 -0.000 0.000 0.260 23 S C 1.159 175.710 174.600 -0.081 0.000 1.217 23 S CA 0.803 58.889 58.200 -0.191 0.000 1.001 23 S CB -0.304 62.754 63.200 -0.236 0.000 1.059 23 S HN 1.785 nan 8.310 nan 0.000 0.537 24 G N -0.565 108.232 108.800 -0.005 0.000 2.806 24 G HA2 0.044 4.003 3.960 -0.000 0.000 0.236 24 G HA3 0.044 4.003 3.960 -0.000 0.000 0.236 24 G C 0.188 175.081 174.900 -0.010 0.000 1.387 24 G CA -0.310 44.793 45.100 0.004 0.000 0.884 24 G HN 1.296 nan 8.290 nan 0.000 0.560 25 G N -0.838 107.957 108.800 -0.007 0.000 2.420 25 G HA2 0.517 4.477 3.960 -0.000 0.000 0.284 25 G HA3 0.517 4.477 3.960 -0.000 0.000 0.284 25 G C -0.278 174.600 174.900 -0.036 0.000 1.177 25 G CA 0.261 45.354 45.100 -0.012 0.000 0.841 25 G HN 0.768 nan 8.290 nan 0.000 0.527 26 D N 0.324 120.704 120.400 -0.034 0.000 2.581 26 D HA 0.340 4.980 4.640 -0.000 0.000 0.238 26 D C 0.388 176.656 176.300 -0.054 0.000 1.145 26 D CA 1.265 55.237 54.000 -0.047 0.000 0.866 26 D CB 0.684 41.465 40.800 -0.032 0.000 1.151 26 D HN 0.558 nan 8.370 nan 0.000 0.500 27 A N 3.441 126.224 122.820 -0.061 0.000 2.340 27 A HA 0.353 4.673 4.320 -0.000 0.000 0.297 27 A C -0.425 177.119 177.584 -0.066 0.000 1.195 27 A CA -0.907 51.096 52.037 -0.057 0.000 0.769 27 A CB 0.776 19.741 19.000 -0.059 0.000 1.163 27 A HN 0.431 nan 8.150 nan 0.000 0.472 28 Q N 1.176 120.943 119.800 -0.056 0.000 2.282 28 Q HA 0.382 4.722 4.340 -0.000 0.000 0.276 28 Q C 1.151 177.097 176.000 -0.090 0.000 1.198 28 Q CA 1.608 57.370 55.803 -0.068 0.000 0.943 28 Q CB 0.144 28.848 28.738 -0.056 0.000 1.275 28 Q HN 1.336 nan 8.270 nan 0.000 0.424 29 G N 1.268 110.003 108.800 -0.109 0.000 3.246 29 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.218 29 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.218 29 G C 0.788 175.608 174.900 -0.134 0.000 0.978 29 G CA 0.029 45.048 45.100 -0.136 0.000 0.825 29 G HN 0.492 nan 8.290 nan 0.000 0.546 30 M N 0.864 120.392 119.600 -0.121 0.000 2.106 30 M HA -0.098 4.382 4.480 -0.000 0.000 0.259 30 M C 2.325 178.549 176.300 -0.127 0.000 1.068 30 M CA 1.824 57.050 55.300 -0.123 0.000 1.100 30 M CB -0.493 32.035 32.600 -0.120 0.000 1.351 30 M HN 0.194 nan 8.290 nan 0.000 0.404 31 N N 0.756 119.381 118.700 -0.126 0.000 2.104 31 N HA -0.119 4.621 4.740 -0.000 0.000 0.190 31 N C 1.703 177.142 175.510 -0.118 0.000 1.024 31 N CA 1.828 54.803 53.050 -0.125 0.000 0.853 31 N CB -0.372 38.043 38.487 -0.119 0.000 1.008 31 N HN 0.395 nan 8.380 nan 0.000 0.424 32 A N 0.651 123.395 122.820 -0.126 0.000 1.930 32 A HA 0.090 4.410 4.320 -0.000 0.000 0.217 32 A C 2.349 179.856 177.584 -0.129 0.000 1.175 32 A CA 1.701 53.660 52.037 -0.131 0.000 0.627 32 A CB -0.737 18.175 19.000 -0.146 0.000 0.815 32 A HN 0.315 nan 8.150 nan 0.000 0.443 33 A N -0.123 122.620 122.820 -0.128 0.000 1.841 33 A HA -0.067 4.253 4.320 -0.000 0.000 0.216 33 A C 2.206 179.729 177.584 -0.101 0.000 1.199 33 A CA 2.092 54.058 52.037 -0.118 0.000 0.621 33 A CB -1.316 17.612 19.000 -0.119 0.000 0.835 33 A HN 0.490 nan 8.150 nan 0.000 0.445 34 V N 0.449 120.310 119.914 -0.089 0.000 2.222 34 V HA -0.398 3.722 4.120 -0.000 0.000 0.252 34 V C 2.631 178.695 176.094 -0.050 0.000 1.060 34 V CA 2.804 65.077 62.300 -0.045 0.000 1.027 34 V CB -1.064 30.739 31.823 -0.033 0.000 0.644 34 V HN 0.725 nan 8.190 nan 0.000 0.448 35 R N 0.299 120.752 120.500 -0.078 0.000 2.143 35 R HA -0.306 4.034 4.340 -0.000 0.000 0.239 35 R C 2.318 178.502 176.300 -0.194 0.000 1.126 35 R CA 2.471 58.490 56.100 -0.135 0.000 0.927 35 R CB -0.765 29.449 30.300 -0.142 0.000 0.860 35 R HN 0.504 nan 8.270 nan 0.000 0.433 36 A N 0.091 122.811 122.820 -0.167 0.000 1.892 36 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 36 A C 2.348 179.842 177.584 -0.150 0.000 1.188 36 A CA 2.076 54.013 52.037 -0.167 0.000 0.631 36 A CB -0.761 18.159 19.000 -0.134 0.000 0.822 36 A HN 0.302 nan 8.150 nan 0.000 0.447 37 V N -0.600 119.245 119.914 -0.116 0.000 2.469 37 V HA -0.218 3.902 4.120 -0.000 0.000 0.251 37 V C 2.428 178.456 176.094 -0.111 0.000 1.064 37 V CA 1.902 64.148 62.300 -0.091 0.000 1.066 37 V CB -0.824 30.962 31.823 -0.063 0.000 0.667 37 V HN 0.378 nan 8.190 nan 0.000 0.461 38 V N -0.655 119.165 119.914 -0.157 0.000 2.300 38 V HA -0.077 4.043 4.120 -0.000 0.000 0.241 38 V C 2.669 178.596 176.094 -0.278 0.000 1.034 38 V CA 1.329 63.497 62.300 -0.219 0.000 1.021 38 V CB -0.640 31.021 31.823 -0.269 0.000 0.662 38 V HN 0.353 nan 8.190 nan 0.000 0.458 39 R N 0.388 120.618 120.500 -0.449 0.000 2.112 39 R HA -0.167 4.173 4.340 -0.000 0.000 0.242 39 R C 2.186 178.326 176.300 -0.267 0.000 1.137 39 R CA 1.689 57.345 56.100 -0.741 0.000 0.944 39 R CB -1.329 28.474 30.300 -0.829 0.000 0.857 39 R HN 0.457 nan 8.270 nan 0.000 0.435 40 V N 0.108 119.931 119.914 -0.151 0.000 2.515 40 V HA -0.113 4.007 4.120 -0.000 0.000 0.250 40 V C 2.477 178.634 176.094 0.105 0.000 1.058 40 V CA 1.840 64.138 62.300 -0.002 0.000 1.064 40 V CB -1.033 30.758 31.823 -0.054 0.000 0.675 40 V HN 0.477 nan 8.190 nan 0.000 0.461 41 G N 0.553 109.361 108.800 0.013 0.000 2.421 41 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.216 41 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.216 41 G C 1.423 176.357 174.900 0.058 0.000 1.171 41 G CA 0.979 46.090 45.100 0.019 0.000 0.775 41 G HN 0.345 nan 8.290 nan 0.000 0.543 42 I N 0.452 121.068 120.570 0.077 0.000 2.045 42 I HA -0.093 4.077 4.170 -0.000 0.000 0.233 42 I C 2.392 178.638 176.117 0.214 0.000 1.048 42 I CA 0.793 62.176 61.300 0.139 0.000 1.313 42 I CB -1.685 36.490 38.000 0.290 0.000 1.043 42 I HN 0.208 nan 8.210 nan 0.000 0.393 43 F N 1.548 121.625 119.950 0.211 0.000 2.085 43 F HA -0.378 4.148 4.527 -0.000 0.000 0.293 43 F C 2.389 178.241 175.800 0.088 0.000 1.062 43 F CA 2.413 60.523 58.000 0.182 0.000 1.267 43 F CB -0.642 38.489 39.000 0.217 0.000 1.001 43 F HN 0.136 nan 8.300 nan 0.000 0.492 44 T N -0.269 114.395 114.554 0.184 0.000 3.434 44 T HA 0.311 4.661 4.350 -0.000 0.000 0.249 44 T C 1.311 175.999 174.700 -0.020 0.000 1.050 44 T CA 0.845 62.980 62.100 0.059 0.000 0.952 44 T CB -1.370 67.579 68.868 0.135 0.000 1.046 44 T HN 0.813 nan 8.240 nan 0.000 0.590 45 G N 0.609 109.374 108.800 -0.057 0.000 2.196 45 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.268 45 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.268 45 G C 0.395 175.279 174.900 -0.026 0.000 0.975 45 G CA 0.299 45.367 45.100 -0.053 0.000 0.648 45 G HN 1.044 nan 8.290 nan 0.000 0.538 46 A N -0.666 122.149 122.820 -0.008 0.000 2.246 46 A HA 0.843 5.163 4.320 -0.000 0.000 0.291 46 A C 0.601 178.151 177.584 -0.056 0.000 1.103 46 A CA 0.172 52.199 52.037 -0.018 0.000 0.844 46 A CB 0.605 19.604 19.000 -0.002 0.000 1.136 46 A HN 0.626 nan 8.150 nan 0.000 0.500 47 R N -0.255 120.186 120.500 -0.099 0.000 2.437 47 R HA 0.562 4.902 4.340 -0.000 0.000 0.310 47 R C -1.745 174.368 176.300 -0.312 0.000 0.955 47 R CA -0.365 55.593 56.100 -0.236 0.000 0.851 47 R CB 1.478 31.608 30.300 -0.282 0.000 1.161 47 R HN 0.500 nan 8.270 nan 0.000 0.446 48 V N 5.284 124.970 119.914 -0.379 0.000 2.435 48 V HA 0.472 4.592 4.120 -0.000 0.000 0.290 48 V C -0.592 175.209 176.094 -0.487 0.000 1.030 48 V CA -0.528 61.578 62.300 -0.322 0.000 0.881 48 V CB 1.352 33.022 31.823 -0.256 0.000 0.983 48 V HN 0.606 nan 8.190 nan 0.000 0.445 49 F N 3.472 123.360 119.950 -0.104 0.000 2.467 49 F HA 0.573 5.099 4.527 -0.000 0.000 0.336 49 F C 0.307 176.115 175.800 0.014 0.000 1.123 49 F CA -0.450 57.511 58.000 -0.065 0.000 0.964 49 F CB 1.360 40.366 39.000 0.010 0.000 1.136 49 F HN 0.339 nan 8.300 nan 0.000 0.447 50 F N 1.516 121.597 119.950 0.218 0.000 2.331 50 F HA 0.480 5.007 4.527 -0.000 0.000 0.293 50 F C 0.359 176.237 175.800 0.130 0.000 1.277 50 F CA -0.543 57.527 58.000 0.117 0.000 1.204 50 F CB 0.813 39.891 39.000 0.131 0.000 1.374 50 F HN -0.037 nan 8.300 nan 0.000 0.520 51 V N 0.807 120.889 119.914 0.281 0.000 3.767 51 V HA 0.049 4.169 4.120 -0.000 0.000 0.303 51 V C -0.923 175.207 176.094 0.060 0.000 0.949 51 V CA -0.654 61.742 62.300 0.161 0.000 1.396 51 V CB -0.206 31.660 31.823 0.072 0.000 0.768 51 V HN 0.615 nan 8.190 nan 0.000 0.486 52 H N 2.737 121.748 119.070 -0.099 0.000 3.107 52 H HA 0.149 4.705 4.556 0.000 0.000 0.342 52 H C 0.690 175.914 175.328 -0.172 0.000 1.076 52 H CA 1.487 57.408 56.048 -0.213 0.000 1.356 52 H CB 0.359 29.921 29.762 -0.333 0.000 1.281 52 H HN 0.549 nan 8.280 nan 0.000 0.604 53 E N 0.569 120.720 120.200 -0.081 0.000 2.560 53 E HA -0.195 4.155 4.350 -0.000 0.000 0.158 53 E C 1.174 177.752 176.600 -0.036 0.000 1.709 53 E CA 0.984 57.361 56.400 -0.038 0.000 0.653 53 E CB -1.786 27.937 29.700 0.037 0.000 1.090 53 E HN 1.038 nan 8.360 nan 0.000 0.355 54 G N 1.108 109.840 108.800 -0.114 0.000 2.477 54 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.857 54 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.857 54 G C 0.769 175.544 174.900 -0.208 0.000 1.399 54 G CA 0.943 45.930 45.100 -0.188 0.000 0.897 54 G HN 0.525 nan 8.290 nan 0.000 0.509 55 Y N 0.403 120.568 120.300 -0.226 0.000 2.283 55 Y HA -0.217 4.332 4.550 -0.000 0.000 0.285 55 Y C 3.141 178.867 175.900 -0.291 0.000 1.176 55 Y CA 2.143 59.980 58.100 -0.439 0.000 1.229 55 Y CB -0.231 37.825 38.460 -0.675 0.000 0.975 55 Y HN 0.653 nan 8.280 nan 0.000 0.537 56 Q N 0.134 119.946 119.800 0.020 0.000 1.857 56 Q HA -0.229 4.111 4.340 -0.000 0.000 0.237 56 Q C 2.683 178.727 176.000 0.073 0.000 1.004 56 Q CA 1.967 57.805 55.803 0.057 0.000 0.881 56 Q CB -0.870 27.925 28.738 0.094 0.000 0.946 56 Q HN 0.490 nan 8.270 nan 0.000 0.421 57 G N 1.176 110.101 108.800 0.208 0.000 2.681 57 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.224 57 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.224 57 G C 1.309 176.281 174.900 0.120 0.000 1.100 57 G CA 1.278 46.563 45.100 0.309 0.000 0.743 57 G HN 0.411 nan 8.290 nan 0.000 0.612 58 L N 0.505 121.752 121.223 0.040 0.000 2.056 58 L HA 0.025 4.365 4.340 -0.000 0.000 0.207 58 L C 2.956 179.860 176.870 0.057 0.000 1.078 58 L CA 1.469 56.323 54.840 0.023 0.000 0.749 58 L CB -0.541 41.471 42.059 -0.078 0.000 0.901 58 L HN 0.112 nan 8.230 nan 0.000 0.433 59 V N -0.118 119.822 119.914 0.044 0.000 2.229 59 V HA -0.252 3.868 4.120 -0.000 0.000 0.243 59 V C 2.133 178.250 176.094 0.037 0.000 1.042 59 V CA 1.765 64.115 62.300 0.084 0.000 1.000 59 V CB -0.869 31.009 31.823 0.093 0.000 0.637 59 V HN 0.389 nan 8.190 nan 0.000 0.446 60 D N 0.094 120.479 120.400 -0.025 0.000 2.225 60 D HA 0.191 4.831 4.640 -0.000 0.000 0.229 60 D C 1.229 177.498 176.300 -0.052 0.000 1.096 60 D CA 2.067 56.001 54.000 -0.109 0.000 0.964 60 D CB -0.792 39.799 40.800 -0.348 0.000 1.336 60 D HN 0.617 nan 8.370 nan 0.000 0.511 61 G N -2.123 106.650 108.800 -0.046 0.000 2.358 61 G HA2 0.321 4.281 3.960 -0.000 0.000 0.198 61 G HA3 0.321 4.281 3.960 -0.000 0.000 0.198 61 G C 0.829 175.745 174.900 0.026 0.000 1.220 61 G CA 0.179 45.295 45.100 0.026 0.000 1.187 61 G HN 1.052 nan 8.290 nan 0.000 0.544 62 G N 0.415 109.232 108.800 0.027 0.000 2.752 62 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.349 62 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.349 62 G C 1.077 176.014 174.900 0.061 0.000 1.181 62 G CA 2.032 47.151 45.100 0.031 0.000 0.949 62 G HN 2.011 nan 8.290 nan 0.000 0.562 63 D N -0.009 120.444 120.400 0.089 0.000 2.340 63 D HA 0.199 4.839 4.640 -0.000 0.000 0.220 63 D C 1.757 178.160 176.300 0.172 0.000 1.039 63 D CA 0.622 54.687 54.000 0.109 0.000 0.866 63 D CB -0.061 40.794 40.800 0.092 0.000 0.913 63 D HN 0.505 nan 8.370 nan 0.000 0.523 64 H N -0.793 118.276 119.070 -0.002 0.000 2.575 64 H HA 0.373 4.929 4.556 -0.000 0.000 0.267 64 H C 0.031 175.408 175.328 0.081 0.000 0.966 64 H CA 0.235 56.296 56.048 0.023 0.000 1.165 64 H CB 0.445 30.226 29.762 0.032 0.000 1.433 64 H HN 0.168 nan 8.280 nan 0.000 0.544 65 I N 1.631 122.303 120.570 0.169 0.000 2.697 65 I HA 0.208 4.378 4.170 -0.000 0.000 0.279 65 I C -0.066 176.146 176.117 0.158 0.000 1.171 65 I CA -0.632 60.757 61.300 0.147 0.000 1.135 65 I CB 0.492 38.518 38.000 0.043 0.000 1.445 65 I HN -0.098 nan 8.210 nan 0.000 0.541 66 R N 3.270 123.915 120.500 0.242 0.000 2.532 66 R HA 0.334 4.674 4.340 -0.000 0.000 0.272 66 R C -0.156 176.366 176.300 0.371 0.000 1.032 66 R CA -0.354 55.898 56.100 0.253 0.000 1.089 66 R CB 0.917 31.335 30.300 0.196 0.000 1.098 66 R HN 0.443 nan 8.270 nan 0.000 0.526 67 E N 1.214 121.605 120.200 0.319 0.000 2.283 67 E HA 0.468 4.818 4.350 -0.000 0.000 0.278 67 E C -1.213 175.347 176.600 -0.067 0.000 1.027 67 E CA -0.669 55.837 56.400 0.176 0.000 0.843 67 E CB 1.111 30.875 29.700 0.107 0.000 1.062 67 E HN 0.644 nan 8.360 nan 0.000 0.401 68 A N 3.726 126.316 122.820 -0.384 0.000 2.310 68 A HA 0.397 4.717 4.320 -0.000 0.000 0.299 68 A C 0.154 177.551 177.584 -0.312 0.000 1.147 68 A CA -0.437 51.251 52.037 -0.582 0.000 0.818 68 A CB 1.631 19.767 19.000 -1.441 0.000 1.096 68 A HN 0.700 nan 8.150 nan 0.000 0.495 69 T N 0.393 114.856 114.554 -0.152 0.000 2.898 69 T HA 0.327 4.677 4.350 -0.000 0.000 0.283 69 T C 0.732 175.456 174.700 0.039 0.000 1.059 69 T CA -0.262 61.825 62.100 -0.022 0.000 0.958 69 T CB 0.470 69.363 68.868 0.042 0.000 1.594 69 T HN 0.721 nan 8.240 nan 0.000 0.598 70 W N 0.415 121.683 121.300 -0.053 0.000 2.574 70 W HA 0.112 4.771 4.660 -0.000 0.000 0.282 70 W C 1.757 178.272 176.519 -0.006 0.000 1.197 70 W CA 0.713 58.041 57.345 -0.029 0.000 1.376 70 W CB -0.263 29.189 29.460 -0.013 0.000 1.091 70 W HN 0.771 nan 8.180 nan 0.000 0.569 71 E N 0.715 121.091 120.200 0.293 0.000 2.267 71 E HA -0.203 4.147 4.350 -0.000 0.000 0.197 71 E C 2.229 178.898 176.600 0.115 0.000 0.998 71 E CA 2.175 58.688 56.400 0.188 0.000 0.830 71 E CB -0.564 29.213 29.700 0.129 0.000 0.751 71 E HN 0.170 nan 8.360 nan 0.000 0.491 72 S N 0.134 115.896 115.700 0.103 0.000 2.383 72 S HA -0.163 4.307 4.470 -0.000 0.000 0.229 72 S C 1.994 176.671 174.600 0.128 0.000 1.030 72 S CA 1.318 59.598 58.200 0.133 0.000 1.002 72 S CB -0.658 62.646 63.200 0.174 0.000 0.829 72 S HN 0.250 nan 8.310 nan 0.000 0.467 73 V N 0.191 120.134 119.914 0.048 0.000 3.649 73 V HA 0.253 4.372 4.120 -0.000 0.000 0.275 73 V C 0.995 177.066 176.094 -0.039 0.000 1.281 73 V CA -0.018 62.283 62.300 0.002 0.000 1.143 73 V CB -1.209 30.562 31.823 -0.086 0.000 0.892 73 V HN 0.451 nan 8.190 nan 0.000 0.441 74 S N 1.599 117.298 115.700 -0.003 0.000 2.560 74 S HA 0.255 4.725 4.470 -0.000 0.000 0.284 74 S C 0.691 175.286 174.600 -0.008 0.000 1.327 74 S CA -0.120 58.086 58.200 0.010 0.000 1.055 74 S CB -0.150 63.084 63.200 0.056 0.000 0.868 74 S HN 0.503 nan 8.310 nan 0.000 0.506 75 M N 3.051 122.638 119.600 -0.020 0.000 2.249 75 M HA -0.190 4.290 4.480 -0.000 0.000 0.198 75 M C 0.163 176.433 176.300 -0.049 0.000 0.394 75 M CA 0.966 56.245 55.300 -0.035 0.000 0.427 75 M CB -2.731 29.854 32.600 -0.024 0.000 1.307 75 M HN 0.869 nan 8.290 nan 0.000 0.924 76 M N -2.519 117.044 119.600 -0.063 0.000 2.669 76 M HA 0.060 4.540 4.480 -0.000 0.000 0.248 76 M C 1.639 177.885 176.300 -0.090 0.000 1.382 76 M CA 0.023 55.278 55.300 -0.076 0.000 1.158 76 M CB 0.169 32.721 32.600 -0.079 0.000 1.371 76 M HN 0.326 nan 8.290 nan 0.000 0.540 77 L N 1.546 122.713 121.223 -0.094 0.000 2.011 77 L HA -0.295 4.044 4.340 -0.000 0.000 0.225 77 L C 2.325 179.132 176.870 -0.105 0.000 1.084 77 L CA 2.339 57.116 54.840 -0.106 0.000 0.791 77 L CB -0.827 41.168 42.059 -0.106 0.000 0.898 77 L HN 0.382 nan 8.230 nan 0.000 0.440 78 Q N -0.861 118.880 119.800 -0.097 0.000 2.437 78 Q HA 0.007 4.347 4.340 -0.000 0.000 0.210 78 Q C 0.254 176.201 176.000 -0.089 0.000 0.972 78 Q CA 0.749 56.495 55.803 -0.096 0.000 0.903 78 Q CB -0.603 28.080 28.738 -0.092 0.000 0.967 78 Q HN 0.410 nan 8.270 nan 0.000 0.486 79 L N 1.296 122.467 121.223 -0.086 0.000 2.276 79 L HA 0.478 4.818 4.340 -0.000 0.000 0.286 79 L C 0.824 177.644 176.870 -0.084 0.000 1.061 79 L CA -0.809 53.983 54.840 -0.080 0.000 0.807 79 L CB 0.960 42.973 42.059 -0.076 0.000 1.177 79 L HN 0.197 nan 8.230 nan 0.000 0.429 80 G N 1.466 110.221 108.800 -0.075 0.000 2.621 80 G HA2 0.491 4.451 3.960 -0.000 0.000 0.271 80 G HA3 0.491 4.451 3.960 -0.000 0.000 0.271 80 G C 0.304 175.160 174.900 -0.073 0.000 1.236 80 G CA 0.307 45.363 45.100 -0.072 0.000 0.958 80 G HN 0.970 nan 8.290 nan 0.000 0.512 81 G N -1.642 107.117 108.800 -0.070 0.000 2.806 81 G HA2 0.097 4.057 3.960 -0.000 0.000 0.236 81 G HA3 0.097 4.057 3.960 -0.000 0.000 0.236 81 G C 0.302 175.144 174.900 -0.096 0.000 1.387 81 G CA 0.320 45.377 45.100 -0.072 0.000 0.884 81 G HN 1.477 nan 8.290 nan 0.000 0.560 82 T N -1.475 113.015 114.554 -0.107 0.000 2.882 82 T HA 0.531 4.880 4.350 -0.000 0.000 0.287 82 T C 1.211 175.808 174.700 -0.171 0.000 0.992 82 T CA 0.354 62.366 62.100 -0.147 0.000 1.076 82 T CB 1.493 70.268 68.868 -0.156 0.000 0.961 82 T HN 1.106 nan 8.240 nan 0.000 0.490 83 V N 5.326 125.106 119.914 -0.224 0.000 3.379 83 V HA 0.127 4.247 4.120 -0.000 0.000 0.249 83 V C 2.040 177.884 176.094 -0.417 0.000 1.184 83 V CA 0.073 62.224 62.300 -0.249 0.000 1.106 83 V CB 0.079 31.775 31.823 -0.212 0.000 0.826 83 V HN 0.782 nan 8.190 nan 0.000 0.465 84 I N 1.111 121.351 120.570 -0.550 0.000 2.830 84 I HA 0.180 4.350 4.170 -0.000 0.000 0.263 84 I C 1.222 176.896 176.117 -0.738 0.000 1.230 84 I CA 1.453 62.207 61.300 -0.910 0.000 1.480 84 I CB -1.346 36.208 38.000 -0.743 0.000 1.095 84 I HN 0.431 nan 8.210 nan 0.000 0.455 85 G N 0.557 109.117 108.800 -0.399 0.000 2.895 85 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.686 85 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.686 85 G C -0.364 174.426 174.900 -0.184 0.000 1.108 85 G CA -0.140 44.816 45.100 -0.239 0.000 0.761 85 G HN 0.314 nan 8.290 nan 0.000 0.611 86 S N 0.539 116.168 115.700 -0.118 0.000 2.538 86 S HA 0.969 5.439 4.470 -0.000 0.000 0.288 86 S C 0.651 175.227 174.600 -0.041 0.000 1.108 86 S CA 0.873 59.020 58.200 -0.088 0.000 0.971 86 S CB 1.549 64.700 63.200 -0.081 0.000 1.041 86 S HN 2.208 nan 8.310 nan 0.000 0.483 87 A N 3.806 126.614 122.820 -0.019 0.000 3.754 87 A HA 0.802 5.122 4.320 -0.000 0.000 0.177 87 A C 0.377 177.981 177.584 0.033 0.000 1.197 87 A CA -0.453 51.593 52.037 0.015 0.000 1.373 87 A CB 0.538 19.559 19.000 0.035 0.000 1.583 87 A HN 0.770 nan 8.150 nan 0.000 0.668 88 R N -1.636 118.894 120.500 0.051 0.000 2.451 88 R HA 0.096 4.436 4.340 -0.000 0.000 0.320 88 R C -0.453 175.891 176.300 0.073 0.000 0.731 88 R CA 0.006 56.143 56.100 0.063 0.000 0.978 88 R CB 0.114 30.445 30.300 0.052 0.000 1.654 88 R HN 0.732 nan 8.270 nan 0.000 0.520 89 C N 2.627 121.974 119.300 0.079 0.000 1.798 89 C HA -0.093 4.367 4.460 -0.000 0.000 0.435 89 C C 1.573 176.617 174.990 0.091 0.000 1.503 89 C CA 0.749 59.817 59.018 0.084 0.000 1.518 89 C CB -0.180 27.615 27.740 0.092 0.000 2.822 89 C HN 0.385 nan 8.230 nan 0.000 0.608 90 K N 2.843 123.284 120.400 0.068 0.000 2.393 90 K HA 0.109 4.429 4.320 -0.000 0.000 0.193 90 K C 1.675 178.306 176.600 0.052 0.000 1.026 90 K CA 0.861 57.181 56.287 0.055 0.000 1.064 90 K CB -0.057 32.465 32.500 0.037 0.000 0.833 90 K HN 0.796 nan 8.250 nan 0.000 0.521 91 D N -0.384 120.055 120.400 0.066 0.000 2.218 91 D HA -0.178 4.462 4.640 -0.000 0.000 0.204 91 D C 1.284 177.628 176.300 0.074 0.000 0.976 91 D CA 0.903 54.937 54.000 0.057 0.000 0.853 91 D CB 0.020 40.858 40.800 0.063 0.000 0.939 91 D HN 0.188 nan 8.370 nan 0.000 0.481 92 F N 1.797 121.695 119.950 -0.086 0.000 2.259 92 F HA -0.045 4.482 4.527 -0.000 0.000 0.298 92 F C 2.158 177.851 175.800 -0.178 0.000 1.088 92 F CA 0.525 58.425 58.000 -0.167 0.000 1.358 92 F CB 0.050 38.886 39.000 -0.274 0.000 1.040 92 F HN -0.259 nan 8.300 nan 0.000 0.505 93 R N 1.533 122.002 120.500 -0.052 0.000 2.377 93 R HA -0.028 4.312 4.340 -0.000 0.000 0.207 93 R C -0.446 175.780 176.300 -0.123 0.000 1.075 93 R CA 0.672 56.710 56.100 -0.104 0.000 1.035 93 R CB -0.690 29.590 30.300 -0.033 0.000 0.857 93 R HN 0.338 nan 8.270 nan 0.000 0.475 94 E N -1.202 118.922 120.200 -0.126 0.000 2.312 94 E HA 0.201 4.551 4.350 -0.000 0.000 0.267 94 E C -0.240 176.276 176.600 -0.140 0.000 0.894 94 E CA -0.823 55.515 56.400 -0.103 0.000 0.773 94 E CB 1.804 31.472 29.700 -0.054 0.000 1.241 94 E HN -0.011 nan 8.360 nan 0.000 0.432 95 R N 1.828 122.262 120.500 -0.109 0.000 2.189 95 R HA -0.114 4.226 4.340 -0.000 0.000 0.218 95 R C 1.465 177.728 176.300 -0.061 0.000 1.074 95 R CA 1.562 57.605 56.100 -0.097 0.000 0.991 95 R CB 0.089 30.352 30.300 -0.062 0.000 0.883 95 R HN 0.609 nan 8.270 nan 0.000 0.457 96 E N -1.333 118.838 120.200 -0.047 0.000 2.510 96 E HA -0.084 4.266 4.350 -0.000 0.000 0.202 96 E C 1.031 177.622 176.600 -0.016 0.000 1.072 96 E CA 0.975 57.358 56.400 -0.029 0.000 0.883 96 E CB 0.254 29.940 29.700 -0.024 0.000 0.818 96 E HN 0.505 nan 8.360 nan 0.000 0.548 97 G N 0.907 109.694 108.800 -0.022 0.000 2.633 97 G HA2 0.000 3.960 3.960 -0.000 0.000 0.198 97 G HA3 0.000 3.960 3.960 -0.000 0.000 0.198 97 G C 1.488 176.420 174.900 0.053 0.000 1.198 97 G CA -0.194 44.922 45.100 0.026 0.000 0.685 97 G HN 0.019 nan 8.290 nan 0.000 0.868 98 R N 0.605 121.048 120.500 -0.096 0.000 2.105 98 R HA -0.104 4.236 4.340 -0.000 0.000 0.239 98 R C 2.519 178.900 176.300 0.135 0.000 1.135 98 R CA 1.720 57.722 56.100 -0.164 0.000 0.967 98 R CB -0.631 29.431 30.300 -0.396 0.000 0.861 98 R HN 0.489 nan 8.270 nan 0.000 0.442 99 L N -0.581 120.692 121.223 0.083 0.000 2.131 99 L HA -0.051 4.289 4.340 -0.000 0.000 0.210 99 L C 2.276 179.231 176.870 0.141 0.000 1.092 99 L CA 1.641 56.541 54.840 0.099 0.000 0.759 99 L CB -0.615 41.459 42.059 0.025 0.000 0.903 99 L HN -0.064 nan 8.230 nan 0.000 0.435 100 R N 0.235 120.807 120.500 0.120 0.000 2.093 100 R HA 0.027 4.367 4.340 -0.000 0.000 0.224 100 R C 2.252 178.680 176.300 0.214 0.000 1.101 100 R CA 1.085 57.261 56.100 0.126 0.000 0.979 100 R CB -0.274 30.063 30.300 0.061 0.000 0.877 100 R HN 0.543 nan 8.270 nan 0.000 0.441 101 A N 1.138 124.103 122.820 0.243 0.000 1.851 101 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 101 A C 2.373 180.184 177.584 0.379 0.000 1.195 101 A CA 1.900 54.107 52.037 0.284 0.000 0.622 101 A CB -1.054 18.148 19.000 0.336 0.000 0.831 101 A HN 0.484 nan 8.150 nan 0.000 0.444 102 A N -0.996 122.135 122.820 0.518 0.000 1.903 102 A HA -0.318 4.002 4.320 -0.000 0.000 0.219 102 A C 2.012 179.792 177.584 0.326 0.000 1.191 102 A CA 2.607 54.991 52.037 0.578 0.000 0.638 102 A CB -1.153 18.056 19.000 0.349 0.000 0.823 102 A HN 0.794 nan 8.150 nan 0.000 0.451 103 H N 0.482 119.643 119.070 0.153 0.000 2.289 103 H HA -0.154 4.401 4.556 -0.000 0.000 0.296 103 H C 2.108 177.498 175.328 0.103 0.000 1.091 103 H CA 2.349 58.449 56.048 0.087 0.000 1.274 103 H CB -0.132 29.662 29.762 0.052 0.000 1.364 103 H HN 0.506 nan 8.280 nan 0.000 0.490 104 N N 0.162 118.990 118.700 0.213 0.000 2.137 104 N HA -0.166 4.574 4.740 -0.000 0.000 0.190 104 N C 2.080 177.636 175.510 0.077 0.000 1.017 104 N CA 1.449 54.573 53.050 0.124 0.000 0.859 104 N CB -0.214 38.349 38.487 0.127 0.000 1.002 104 N HN 0.399 nan 8.380 nan 0.000 0.428 105 L N 0.618 121.937 121.223 0.160 0.000 1.973 105 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 105 L C 2.375 179.304 176.870 0.098 0.000 1.073 105 L CA 0.950 55.883 54.840 0.155 0.000 0.746 105 L CB -0.825 41.419 42.059 0.309 0.000 0.891 105 L HN -0.053 nan 8.230 nan 0.000 0.433 106 V N -0.101 119.891 119.914 0.130 0.000 2.469 106 V HA -0.293 3.827 4.120 -0.000 0.000 0.251 106 V C 2.434 178.496 176.094 -0.053 0.000 1.064 106 V CA 1.880 64.210 62.300 0.049 0.000 1.066 106 V CB -0.826 31.001 31.823 0.008 0.000 0.667 106 V HN 0.458 nan 8.190 nan 0.000 0.461 107 K N -0.085 120.248 120.400 -0.111 0.000 2.217 107 K HA -0.089 4.231 4.320 -0.000 0.000 0.202 107 K C 2.040 178.596 176.600 -0.074 0.000 1.051 107 K CA 0.748 56.963 56.287 -0.121 0.000 0.952 107 K CB 0.109 32.536 32.500 -0.121 0.000 0.736 107 K HN 0.269 nan 8.250 nan 0.000 0.453 108 R N -0.322 120.128 120.500 -0.083 0.000 2.362 108 R HA 0.128 4.468 4.340 -0.000 0.000 0.227 108 R C 0.015 176.251 176.300 -0.105 0.000 0.905 108 R CA 0.635 56.644 56.100 -0.153 0.000 1.067 108 R CB 0.468 30.589 30.300 -0.300 0.000 1.078 108 R HN 0.322 nan 8.270 nan 0.000 0.516 109 G N 2.584 111.365 108.800 -0.032 0.000 2.547 109 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.226 109 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.226 109 G C -0.377 174.556 174.900 0.054 0.000 0.871 109 G CA -0.195 44.918 45.100 0.021 0.000 1.142 109 G HN 0.150 nan 8.290 nan 0.000 0.362 110 I N 1.810 122.420 120.570 0.067 0.000 2.610 110 I HA 0.332 4.502 4.170 -0.000 0.000 0.289 110 I C 0.694 176.845 176.117 0.056 0.000 1.163 110 I CA -0.153 61.199 61.300 0.086 0.000 1.044 110 I CB 1.597 39.645 38.000 0.080 0.000 1.251 110 I HN 0.434 nan 8.210 nan 0.000 0.424 111 T N 3.854 118.431 114.554 0.039 0.000 3.023 111 T HA 0.273 4.623 4.350 -0.000 0.000 0.253 111 T C 0.310 174.980 174.700 -0.049 0.000 1.038 111 T CA 0.270 62.366 62.100 -0.007 0.000 0.962 111 T CB 0.004 68.894 68.868 0.037 0.000 1.018 111 T HN 0.521 nan 8.240 nan 0.000 0.521 112 N N 1.599 120.293 118.700 -0.011 0.000 2.284 112 N HA 0.522 5.262 4.740 -0.000 0.000 0.300 112 N C -1.778 173.734 175.510 0.003 0.000 1.047 112 N CA -0.486 52.554 53.050 -0.016 0.000 0.821 112 N CB 2.376 40.868 38.487 0.009 0.000 1.337 112 N HN 0.191 nan 8.380 nan 0.000 0.482 113 L N 1.692 122.910 121.223 -0.009 0.000 2.441 113 L HA 0.428 4.768 4.340 -0.000 0.000 0.270 113 L C -1.010 175.869 176.870 0.014 0.000 0.973 113 L CA -0.608 54.247 54.840 0.025 0.000 0.842 113 L CB 1.146 43.245 42.059 0.067 0.000 1.239 113 L HN 0.678 nan 8.230 nan 0.000 0.406 114 C N 5.621 124.922 119.300 0.002 0.000 2.307 114 C HA 0.757 5.217 4.460 -0.000 0.000 0.340 114 C C -0.160 174.800 174.990 -0.050 0.000 1.275 114 C CA -0.388 58.617 59.018 -0.022 0.000 1.811 114 C CB 0.266 27.989 27.740 -0.029 0.000 2.372 114 C HN 0.634 nan 8.230 nan 0.000 0.531 115 V N 8.734 128.612 119.914 -0.059 0.000 2.313 115 V HA 0.349 4.469 4.120 -0.000 0.000 0.278 115 V C 0.115 176.136 176.094 -0.121 0.000 1.017 115 V CA -0.118 62.114 62.300 -0.112 0.000 0.823 115 V CB 1.093 32.887 31.823 -0.049 0.000 1.010 115 V HN 0.758 nan 8.190 nan 0.000 0.443 116 I N 5.368 125.850 120.570 -0.146 0.000 2.282 116 I HA 0.638 4.808 4.170 -0.000 0.000 0.290 116 I C 0.903 176.937 176.117 -0.139 0.000 1.090 116 I CA 0.363 61.580 61.300 -0.137 0.000 1.231 116 I CB 0.691 38.612 38.000 -0.131 0.000 1.434 116 I HN 0.734 nan 8.210 nan 0.000 0.487 117 G N 3.710 112.434 108.800 -0.127 0.000 2.896 117 G HA2 0.744 4.704 3.960 -0.000 0.000 0.247 117 G HA3 0.744 4.704 3.960 -0.000 0.000 0.247 117 G C -0.765 174.082 174.900 -0.088 0.000 1.187 117 G CA -0.306 44.738 45.100 -0.092 0.000 0.837 117 G HN 0.569 nan 8.290 nan 0.000 0.559 118 G N -1.395 107.389 108.800 -0.026 0.000 3.013 118 G HA2 0.463 4.423 3.960 -0.000 0.000 0.278 118 G HA3 0.463 4.423 3.960 -0.000 0.000 0.278 118 G C 0.027 174.981 174.900 0.090 0.000 1.353 118 G CA 0.259 45.364 45.100 0.008 0.000 1.043 118 G HN 0.326 nan 8.290 nan 0.000 0.523 119 D N -0.459 120.057 120.400 0.192 0.000 2.200 119 D HA -0.147 4.493 4.640 -0.000 0.000 0.192 119 D C 2.327 178.732 176.300 0.175 0.000 1.008 119 D CA 2.326 56.493 54.000 0.277 0.000 0.872 119 D CB -0.038 40.856 40.800 0.157 0.000 0.923 119 D HN 0.417 nan 8.370 nan 0.000 0.447 120 G N -0.574 108.297 108.800 0.119 0.000 2.518 120 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.213 120 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.213 120 G C 1.738 176.725 174.900 0.146 0.000 1.226 120 G CA 0.737 45.900 45.100 0.105 0.000 0.822 120 G HN 0.235 nan 8.290 nan 0.000 0.546 121 S N 1.065 116.871 115.700 0.177 0.000 2.381 121 S HA -0.181 4.289 4.470 -0.000 0.000 0.230 121 S C 2.342 177.118 174.600 0.294 0.000 1.052 121 S CA 1.477 59.867 58.200 0.317 0.000 1.068 121 S CB -0.509 62.816 63.200 0.208 0.000 0.918 121 S HN 0.287 nan 8.310 nan 0.000 0.448 122 L N 0.631 121.954 121.223 0.167 0.000 2.012 122 L HA -0.143 4.197 4.340 -0.000 0.000 0.210 122 L C 2.918 179.902 176.870 0.189 0.000 1.073 122 L CA 1.698 56.620 54.840 0.138 0.000 0.748 122 L CB -1.028 41.058 42.059 0.045 0.000 0.891 122 L HN 0.366 nan 8.230 nan 0.000 0.431 123 T N -0.693 113.971 114.554 0.185 0.000 3.007 123 T HA -0.076 4.274 4.350 -0.000 0.000 0.270 123 T C 1.651 176.429 174.700 0.129 0.000 1.107 123 T CA 1.229 63.417 62.100 0.148 0.000 1.118 123 T CB -0.187 68.745 68.868 0.107 0.000 0.889 123 T HN 0.514 nan 8.240 nan 0.000 0.506 124 G N 0.256 109.142 108.800 0.144 0.000 2.395 124 G HA2 0.135 4.095 3.960 -0.000 0.000 0.214 124 G HA3 0.135 4.095 3.960 -0.000 0.000 0.214 124 G C 1.899 176.928 174.900 0.215 0.000 1.177 124 G CA 0.691 45.842 45.100 0.084 0.000 0.794 124 G HN 0.576 nan 8.290 nan 0.000 0.532 125 A N 1.268 124.312 122.820 0.374 0.000 1.908 125 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 125 A C 1.937 179.735 177.584 0.357 0.000 1.181 125 A CA 2.310 54.641 52.037 0.489 0.000 0.627 125 A CB -0.706 18.539 19.000 0.409 0.000 0.818 125 A HN 0.462 nan 8.150 nan 0.000 0.445 126 D N -0.725 119.816 120.400 0.235 0.000 2.212 126 D HA -0.243 4.397 4.640 -0.000 0.000 0.197 126 D C 1.962 178.360 176.300 0.164 0.000 1.004 126 D CA 3.087 57.186 54.000 0.165 0.000 0.864 126 D CB -0.768 40.111 40.800 0.132 0.000 1.027 126 D HN 0.292 nan 8.370 nan 0.000 0.455 127 T N -2.066 112.569 114.554 0.136 0.000 2.848 127 T HA -0.240 4.110 4.350 -0.000 0.000 0.269 127 T C 1.717 176.526 174.700 0.182 0.000 1.081 127 T CA 1.554 63.720 62.100 0.110 0.000 1.125 127 T CB -0.853 68.046 68.868 0.052 0.000 0.848 127 T HN 0.302 nan 8.240 nan 0.000 0.503 128 F N 2.352 122.336 119.950 0.057 0.000 2.163 128 F HA 0.218 4.745 4.527 -0.000 0.000 0.297 128 F C 2.442 178.352 175.800 0.183 0.000 1.094 128 F CA 0.996 59.060 58.000 0.107 0.000 1.290 128 F CB -0.613 38.524 39.000 0.229 0.000 1.017 128 F HN 0.049 nan 8.300 nan 0.000 0.483 129 R N 0.937 121.486 120.500 0.081 0.000 2.120 129 R HA -0.126 4.214 4.340 -0.000 0.000 0.234 129 R C 2.116 178.431 176.300 0.025 0.000 1.123 129 R CA 1.820 57.875 56.100 -0.075 0.000 0.975 129 R CB -0.911 29.370 30.300 -0.031 0.000 0.866 129 R HN 0.497 nan 8.270 nan 0.000 0.446 130 S N 0.178 115.922 115.700 0.073 0.000 2.329 130 S HA -0.119 4.351 4.470 -0.000 0.000 0.215 130 S C 1.624 176.281 174.600 0.094 0.000 1.031 130 S CA 0.790 59.035 58.200 0.075 0.000 0.985 130 S CB -0.560 62.678 63.200 0.063 0.000 0.917 130 S HN 0.458 nan 8.310 nan 0.000 0.441 131 E N 0.272 120.533 120.200 0.101 0.000 2.381 131 E HA -0.063 4.287 4.350 -0.000 0.000 0.198 131 E C 0.866 177.527 176.600 0.103 0.000 1.204 131 E CA -0.177 56.274 56.400 0.084 0.000 0.998 131 E CB -0.262 29.482 29.700 0.074 0.000 1.080 131 E HN 0.790 nan 8.360 nan 0.000 0.481 132 W N 0.507 121.750 121.300 -0.094 0.000 2.704 132 W HA -0.098 4.562 4.660 -0.000 0.000 0.266 132 W C 1.827 178.304 176.519 -0.071 0.000 1.266 132 W CA 1.229 58.484 57.345 -0.149 0.000 1.377 132 W CB -0.068 29.222 29.460 -0.284 0.000 1.082 132 W HN 0.223 nan 8.180 nan 0.000 0.608 133 S N 1.854 117.584 115.700 0.050 0.000 2.354 133 S HA -0.340 4.130 4.470 -0.000 0.000 0.219 133 S C 1.366 175.894 174.600 -0.121 0.000 1.035 133 S CA 2.144 60.337 58.200 -0.012 0.000 1.037 133 S CB -1.306 61.918 63.200 0.040 0.000 0.956 133 S HN 0.345 nan 8.310 nan 0.000 0.428 134 D N 1.937 122.287 120.400 -0.084 0.000 2.218 134 D HA -0.076 4.564 4.640 -0.000 0.000 0.204 134 D C 1.869 178.081 176.300 -0.148 0.000 0.976 134 D CA 0.760 54.706 54.000 -0.090 0.000 0.853 134 D CB -0.755 40.014 40.800 -0.051 0.000 0.939 134 D HN 0.458 nan 8.370 nan 0.000 0.481 135 L N -0.350 120.740 121.223 -0.222 0.000 2.189 135 L HA -0.161 4.178 4.340 -0.000 0.000 0.214 135 L C 2.111 178.781 176.870 -0.333 0.000 1.097 135 L CA 0.534 55.205 54.840 -0.282 0.000 0.764 135 L CB -0.246 41.574 42.059 -0.398 0.000 0.900 135 L HN 0.229 nan 8.230 nan 0.000 0.436 136 L N -1.309 119.688 121.223 -0.378 0.000 2.022 136 L HA -0.134 4.205 4.340 -0.000 0.000 0.204 136 L C 2.708 179.491 176.870 -0.146 0.000 1.076 136 L CA 1.757 56.428 54.840 -0.281 0.000 0.749 136 L CB -1.500 40.408 42.059 -0.252 0.000 0.903 136 L HN 0.212 nan 8.230 nan 0.000 0.439 137 S N -0.078 115.553 115.700 -0.113 0.000 2.392 137 S HA -0.252 4.218 4.470 -0.000 0.000 0.232 137 S C 1.538 176.104 174.600 -0.058 0.000 1.041 137 S CA 2.168 60.327 58.200 -0.068 0.000 1.026 137 S CB -0.160 63.008 63.200 -0.053 0.000 0.845 137 S HN 0.427 nan 8.310 nan 0.000 0.465 138 D N 0.737 121.095 120.400 -0.069 0.000 2.091 138 D HA 0.060 4.700 4.640 -0.000 0.000 0.199 138 D C 1.455 177.731 176.300 -0.041 0.000 0.980 138 D CA 0.931 54.900 54.000 -0.051 0.000 0.831 138 D CB -0.206 40.562 40.800 -0.054 0.000 0.987 138 D HN 0.363 nan 8.370 nan 0.000 0.460 139 L N 0.792 121.986 121.223 -0.048 0.000 2.737 139 L HA 0.001 4.341 4.340 -0.000 0.000 0.246 139 L C 1.739 178.616 176.870 0.013 0.000 1.153 139 L CA 0.232 55.072 54.840 0.000 0.000 0.920 139 L CB -0.015 42.063 42.059 0.032 0.000 1.090 139 L HN 0.026 nan 8.230 nan 0.000 0.430 140 Q N 0.108 119.898 119.800 -0.015 0.000 2.378 140 Q HA 0.015 4.355 4.340 -0.000 0.000 0.229 140 Q C 1.747 177.745 176.000 -0.005 0.000 0.882 140 Q CA 0.491 56.288 55.803 -0.010 0.000 0.936 140 Q CB 0.483 29.206 28.738 -0.025 0.000 1.092 140 Q HN 0.388 nan 8.270 nan 0.000 0.535 141 K N -0.300 120.094 120.400 -0.011 0.000 2.360 141 K HA -0.076 4.244 4.320 -0.000 0.000 0.201 141 K C 1.121 177.718 176.600 -0.005 0.000 1.046 141 K CA 1.099 57.379 56.287 -0.010 0.000 0.940 141 K CB 0.248 32.739 32.500 -0.016 0.000 0.748 141 K HN 0.126 nan 8.250 nan 0.000 0.465 142 A N -1.020 121.801 122.820 0.002 0.000 2.552 142 A HA 0.169 4.489 4.320 -0.000 0.000 0.177 142 A C 1.348 178.951 177.584 0.033 0.000 1.677 142 A CA 0.208 52.249 52.037 0.007 0.000 1.096 142 A CB -0.608 18.387 19.000 -0.009 0.000 1.174 142 A HN 0.262 nan 8.150 nan 0.000 0.435 143 G N 0.978 109.818 108.800 0.066 0.000 2.950 143 G HA2 0.133 4.093 3.960 -0.000 0.000 0.190 143 G HA3 0.133 4.093 3.960 -0.000 0.000 0.190 143 G C 0.563 175.597 174.900 0.223 0.000 1.458 143 G CA 1.127 46.356 45.100 0.215 0.000 0.800 143 G HN 0.397 nan 8.290 nan 0.000 0.685 144 K N -1.155 119.322 120.400 0.128 0.000 2.349 144 K HA 0.438 4.758 4.320 -0.000 0.000 0.243 144 K C -0.548 176.062 176.600 0.016 0.000 1.058 144 K CA -1.389 54.928 56.287 0.050 0.000 0.871 144 K CB 1.684 34.168 32.500 -0.026 0.000 1.337 144 K HN 0.233 nan 8.250 nan 0.000 0.469 145 I N 1.339 121.912 120.570 0.005 0.000 2.919 145 I HA -0.160 4.010 4.170 -0.000 0.000 0.303 145 I C 1.429 177.541 176.117 -0.008 0.000 1.221 145 I CA 1.141 62.441 61.300 -0.000 0.000 1.444 145 I CB 0.540 38.538 38.000 -0.003 0.000 1.331 145 I HN 0.680 nan 8.210 nan 0.000 0.572 146 T N 6.052 120.602 114.554 -0.007 0.000 3.227 146 T HA 0.090 4.440 4.350 -0.000 0.000 0.257 146 T C 1.551 176.244 174.700 -0.012 0.000 1.162 146 T CA 0.998 63.092 62.100 -0.011 0.000 1.051 146 T CB -0.433 68.430 68.868 -0.009 0.000 0.953 146 T HN 0.753 nan 8.240 nan 0.000 0.535 147 A N 0.778 123.591 122.820 -0.011 0.000 2.014 147 A HA 0.014 4.334 4.320 -0.000 0.000 0.218 147 A C 2.134 179.708 177.584 -0.017 0.000 1.163 147 A CA 1.232 53.262 52.037 -0.012 0.000 0.652 147 A CB -0.227 18.767 19.000 -0.010 0.000 0.808 147 A HN 0.688 nan 8.150 nan 0.000 0.449 148 E N 0.077 120.265 120.200 -0.019 0.000 2.046 148 E HA -0.191 4.159 4.350 -0.000 0.000 0.190 148 E C 1.915 178.505 176.600 -0.016 0.000 0.982 148 E CA 1.229 57.617 56.400 -0.020 0.000 0.800 148 E CB -0.240 29.445 29.700 -0.025 0.000 0.756 148 E HN 0.865 nan 8.360 nan 0.000 0.449 149 E N 1.608 121.799 120.200 -0.016 0.000 2.160 149 E HA -0.160 4.190 4.350 -0.000 0.000 0.195 149 E C 1.520 178.119 176.600 -0.002 0.000 0.991 149 E CA 1.471 57.866 56.400 -0.008 0.000 0.810 149 E CB -0.287 29.398 29.700 -0.026 0.000 0.742 149 E HN 0.186 nan 8.360 nan 0.000 0.466 150 A N 0.380 123.192 122.820 -0.013 0.000 2.327 150 A HA 0.181 4.501 4.320 -0.000 0.000 0.228 150 A C 1.224 178.782 177.584 -0.044 0.000 1.275 150 A CA 0.713 52.741 52.037 -0.015 0.000 0.875 150 A CB -0.460 18.533 19.000 -0.011 0.000 0.925 150 A HN 0.360 nan 8.150 nan 0.000 0.493 151 T N -5.205 109.314 114.554 -0.058 0.000 3.641 151 T HA 0.390 4.740 4.350 -0.000 0.000 0.313 151 T C 0.195 174.819 174.700 -0.127 0.000 0.952 151 T CA -0.429 61.611 62.100 -0.101 0.000 1.004 151 T CB 0.176 69.006 68.868 -0.063 0.000 1.209 151 T HN 0.142 nan 8.240 nan 0.000 0.493 152 R N 0.854 121.288 120.500 -0.110 0.000 2.468 152 R HA 0.204 4.544 4.340 -0.000 0.000 0.223 152 R C 1.161 177.541 176.300 0.133 0.000 0.603 152 R CA 0.694 56.771 56.100 -0.039 0.000 0.835 152 R CB -0.381 29.966 30.300 0.078 0.000 1.391 152 R HN 0.531 nan 8.270 nan 0.000 0.540 153 S N 0.235 116.000 115.700 0.109 0.000 2.496 153 S HA -0.110 4.360 4.470 -0.000 0.000 0.302 153 S C 1.263 176.162 174.600 0.499 0.000 1.450 153 S CA 0.909 59.283 58.200 0.290 0.000 2.307 153 S CB -0.453 62.894 63.200 0.245 0.000 0.510 153 S HN 0.159 nan 8.310 nan 0.000 0.344 154 S N 0.773 116.746 115.700 0.455 0.000 3.237 154 S HA 0.079 4.549 4.470 -0.000 0.000 0.255 154 S C -1.188 173.462 174.600 0.083 0.000 1.127 154 S CA -0.317 58.019 58.200 0.225 0.000 1.254 154 S CB -1.649 61.579 63.200 0.046 0.000 1.022 154 S HN 0.511 nan 8.310 nan 0.000 0.477 155 Y N 0.907 121.242 120.300 0.059 0.000 2.662 155 Y HA 0.492 5.042 4.550 0.000 0.000 0.358 155 Y C -0.471 175.354 175.900 -0.124 0.000 1.041 155 Y CA -1.101 56.989 58.100 -0.016 0.000 1.184 155 Y CB 0.687 39.156 38.460 0.014 0.000 1.114 155 Y HN 0.265 nan 8.280 nan 0.000 0.650 156 L N 2.884 123.992 121.223 -0.191 0.000 2.462 156 L HA 0.562 4.902 4.340 -0.000 0.000 0.255 156 L C -1.250 175.389 176.870 -0.384 0.000 1.076 156 L CA -0.242 54.253 54.840 -0.576 0.000 0.920 156 L CB 0.384 41.542 42.059 -1.502 0.000 1.214 156 L HN 0.283 nan 8.230 nan 0.000 0.472 157 N N 5.750 124.319 118.700 -0.220 0.000 2.444 157 N HA 0.456 5.196 4.740 -0.000 0.000 0.271 157 N C -0.801 174.639 175.510 -0.117 0.000 1.069 157 N CA -0.141 52.827 53.050 -0.137 0.000 0.965 157 N CB 1.984 40.430 38.487 -0.068 0.000 1.092 157 N HN 0.562 nan 8.380 nan 0.000 0.476 158 I N -0.220 120.301 120.570 -0.082 0.000 2.533 158 I HA 0.489 4.659 4.170 -0.000 0.000 0.290 158 I C -1.035 175.077 176.117 -0.009 0.000 1.056 158 I CA -0.952 60.332 61.300 -0.027 0.000 1.057 158 I CB 0.993 39.005 38.000 0.020 0.000 1.240 158 I HN -0.027 nan 8.210 nan 0.000 0.423 159 V N 5.182 125.092 119.914 -0.007 0.000 2.495 159 V HA 0.785 4.905 4.120 -0.000 0.000 0.298 159 V C 0.758 176.838 176.094 -0.023 0.000 1.031 159 V CA -0.398 61.892 62.300 -0.015 0.000 0.871 159 V CB 1.666 33.475 31.823 -0.023 0.000 0.988 159 V HN 1.011 nan 8.190 nan 0.000 0.432 160 G N 3.941 112.721 108.800 -0.034 0.000 2.322 160 G HA2 0.597 4.557 3.960 -0.000 0.000 0.309 160 G HA3 0.597 4.557 3.960 -0.000 0.000 0.309 160 G C -1.001 173.826 174.900 -0.122 0.000 1.121 160 G CA -0.407 44.651 45.100 -0.070 0.000 0.886 160 G HN 0.662 nan 8.290 nan 0.000 0.447 161 L N 3.881 125.023 121.223 -0.136 0.000 2.316 161 L HA 0.392 4.732 4.340 -0.000 0.000 0.280 161 L C -0.281 176.471 176.870 -0.196 0.000 1.006 161 L CA -0.893 53.857 54.840 -0.149 0.000 0.836 161 L CB 1.574 43.563 42.059 -0.116 0.000 1.221 161 L HN 0.240 nan 8.230 nan 0.000 0.418 162 V N 4.738 124.497 119.914 -0.258 0.000 2.390 162 V HA 0.257 4.377 4.120 -0.000 0.000 0.260 162 V C 0.961 176.947 176.094 -0.180 0.000 1.043 162 V CA -0.027 62.096 62.300 -0.295 0.000 1.047 162 V CB 0.228 31.787 31.823 -0.439 0.000 1.066 162 V HN 0.859 nan 8.190 nan 0.000 0.481 163 G N 3.584 112.297 108.800 -0.145 0.000 2.502 163 G HA2 0.622 4.582 3.960 -0.000 0.000 0.311 163 G HA3 0.622 4.582 3.960 -0.000 0.000 0.311 163 G C -0.424 174.433 174.900 -0.073 0.000 1.270 163 G CA -0.112 44.925 45.100 -0.105 0.000 0.948 163 G HN 0.991 nan 8.290 nan 0.000 0.487 164 S N 2.534 118.206 115.700 -0.048 0.000 2.586 164 S HA 0.154 4.624 4.470 -0.000 0.000 0.296 164 S C 0.701 175.301 174.600 0.001 0.000 1.120 164 S CA -0.696 57.491 58.200 -0.021 0.000 0.927 164 S CB 0.870 64.068 63.200 -0.002 0.000 1.114 164 S HN 1.195 nan 8.310 nan 0.000 0.453 165 I N 0.142 120.713 120.570 0.003 0.000 3.241 165 I HA 0.093 4.263 4.170 -0.000 0.000 0.280 165 I C 1.020 177.174 176.117 0.062 0.000 1.320 165 I CA 0.837 62.156 61.300 0.030 0.000 1.413 165 I CB -1.390 36.617 38.000 0.011 0.000 1.060 165 I HN 0.679 nan 8.210 nan 0.000 0.500 166 D N 1.653 122.081 120.400 0.048 0.000 2.123 166 D HA -0.189 4.451 4.640 -0.000 0.000 0.200 166 D C 0.848 177.187 176.300 0.065 0.000 0.976 166 D CA 1.134 55.172 54.000 0.064 0.000 0.831 166 D CB -0.090 40.738 40.800 0.047 0.000 0.974 166 D HN 0.430 nan 8.370 nan 0.000 0.469 167 N N 0.546 119.252 118.700 0.010 0.000 2.782 167 N HA -0.161 4.579 4.740 -0.000 0.000 0.251 167 N C 0.319 175.756 175.510 -0.123 0.000 1.101 167 N CA 1.003 53.991 53.050 -0.104 0.000 0.764 167 N CB -0.735 37.566 38.487 -0.310 0.000 1.122 167 N HN 0.295 nan 8.380 nan 0.000 0.561 168 D N -0.903 119.480 120.400 -0.028 0.000 2.120 168 D HA -0.104 4.536 4.640 -0.000 0.000 0.202 168 D C 0.816 177.098 176.300 -0.030 0.000 0.972 168 D CA 0.282 54.257 54.000 -0.041 0.000 0.837 168 D CB -0.773 40.024 40.800 -0.005 0.000 0.989 168 D HN 0.377 nan 8.370 nan 0.000 0.469 169 F N 1.170 121.067 119.950 -0.088 0.000 2.623 169 F HA -0.016 4.511 4.527 -0.000 0.000 0.381 169 F C 0.093 175.841 175.800 -0.085 0.000 1.081 169 F CA -0.252 57.704 58.000 -0.074 0.000 1.293 169 F CB 0.341 39.308 39.000 -0.055 0.000 1.006 169 F HN 0.051 nan 8.300 nan 0.000 0.578 170 C N 4.669 123.646 119.300 -0.537 0.000 2.319 170 C HA 0.664 5.124 4.460 -0.000 0.000 0.335 170 C C 0.973 175.856 174.990 -0.178 0.000 1.274 170 C CA 0.175 59.019 59.018 -0.290 0.000 1.806 170 C CB 0.412 27.972 27.740 -0.300 0.000 2.329 170 C HN 1.117 nan 8.230 nan 0.000 0.524 171 G N 2.410 111.213 108.800 0.005 0.000 2.260 171 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.179 171 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.179 171 G C 0.035 175.010 174.900 0.125 0.000 1.002 171 G CA 0.370 45.517 45.100 0.078 0.000 0.677 171 G HN 0.825 nan 8.290 nan 0.000 0.486 172 T N -0.112 114.527 114.554 0.142 0.000 2.886 172 T HA 0.535 4.885 4.350 -0.000 0.000 0.292 172 T C 0.541 175.265 174.700 0.040 0.000 1.012 172 T CA 0.201 62.358 62.100 0.095 0.000 0.982 172 T CB 1.516 70.446 68.868 0.104 0.000 1.018 172 T HN -0.075 nan 8.240 nan 0.000 0.451 173 D N 2.550 122.964 120.400 0.023 0.000 2.178 173 D HA 0.119 4.759 4.640 -0.000 0.000 0.202 173 D C 0.405 176.691 176.300 -0.023 0.000 0.974 173 D CA 1.317 55.316 54.000 -0.001 0.000 0.841 173 D CB 0.179 40.984 40.800 0.009 0.000 0.953 173 D HN 0.305 nan 8.370 nan 0.000 0.478 174 M N -0.735 118.876 119.600 0.018 0.000 2.470 174 M HA 0.244 4.724 4.480 -0.000 0.000 0.285 174 M C -0.644 175.677 176.300 0.036 0.000 1.213 174 M CA -0.596 54.730 55.300 0.044 0.000 0.901 174 M CB 1.968 34.689 32.600 0.202 0.000 1.718 174 M HN -0.168 nan 8.290 nan 0.000 0.469 175 T N -0.720 113.846 114.554 0.020 0.000 2.950 175 T HA 0.792 5.142 4.350 -0.000 0.000 0.288 175 T C 0.273 174.967 174.700 -0.011 0.000 1.035 175 T CA -0.912 61.179 62.100 -0.015 0.000 1.028 175 T CB 1.365 70.221 68.868 -0.019 0.000 1.109 175 T HN 0.444 nan 8.240 nan 0.000 0.514 176 I N 1.359 121.892 120.570 -0.063 0.000 2.754 176 I HA 0.341 4.511 4.170 -0.000 0.000 0.285 176 I C 1.907 178.001 176.117 -0.039 0.000 1.166 176 I CA 1.124 62.373 61.300 -0.085 0.000 1.417 176 I CB -0.251 37.679 38.000 -0.117 0.000 1.382 176 I HN 1.207 nan 8.210 nan 0.000 0.588 177 G N 4.039 112.819 108.800 -0.033 0.000 2.304 177 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.252 177 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.252 177 G C 1.163 176.101 174.900 0.064 0.000 1.014 177 G CA 1.075 46.176 45.100 0.002 0.000 0.619 177 G HN 0.754 nan 8.290 nan 0.000 0.525 178 T N -0.581 114.032 114.554 0.099 0.000 2.833 178 T HA -0.086 4.264 4.350 -0.000 0.000 0.269 178 T C 1.763 176.580 174.700 0.196 0.000 1.054 178 T CA 2.318 64.510 62.100 0.153 0.000 1.135 178 T CB -0.255 68.724 68.868 0.185 0.000 0.869 178 T HN 0.392 nan 8.240 nan 0.000 0.466 179 D N 0.429 120.972 120.400 0.239 0.000 2.117 179 D HA -0.050 4.590 4.640 -0.000 0.000 0.198 179 D C 2.381 178.881 176.300 0.333 0.000 0.982 179 D CA 1.456 55.624 54.000 0.279 0.000 0.828 179 D CB -0.092 40.946 40.800 0.396 0.000 0.967 179 D HN 0.528 nan 8.370 nan 0.000 0.464 180 S N 0.285 116.125 115.700 0.233 0.000 2.355 180 S HA -0.124 4.346 4.470 -0.000 0.000 0.222 180 S C 2.266 176.962 174.600 0.161 0.000 1.031 180 S CA 0.938 59.238 58.200 0.167 0.000 0.993 180 S CB -0.704 62.509 63.200 0.022 0.000 0.859 180 S HN 0.411 nan 8.310 nan 0.000 0.453 181 A N 1.948 124.836 122.820 0.112 0.000 1.917 181 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 181 A C 2.209 179.847 177.584 0.089 0.000 1.182 181 A CA 1.498 53.584 52.037 0.082 0.000 0.633 181 A CB -0.971 18.072 19.000 0.071 0.000 0.819 181 A HN 0.457 nan 8.150 nan 0.000 0.448 182 L N -1.877 119.410 121.223 0.107 0.000 2.083 182 L HA -0.227 4.113 4.340 -0.000 0.000 0.209 182 L C 2.566 179.450 176.870 0.023 0.000 1.083 182 L CA 1.744 56.609 54.840 0.042 0.000 0.752 182 L CB -0.544 41.529 42.059 0.024 0.000 0.899 182 L HN 0.517 nan 8.230 nan 0.000 0.433 183 H N -0.823 118.262 119.070 0.026 0.000 2.293 183 H HA -0.102 4.454 4.556 -0.000 0.000 0.300 183 H C 2.354 177.685 175.328 0.005 0.000 1.082 183 H CA 1.330 57.388 56.048 0.017 0.000 1.308 183 H CB 0.096 29.869 29.762 0.017 0.000 1.375 183 H HN 0.102 nan 8.280 nan 0.000 0.495 184 R N 0.677 121.261 120.500 0.141 0.000 2.132 184 R HA -0.166 4.173 4.340 -0.000 0.000 0.233 184 R C 2.457 178.781 176.300 0.040 0.000 1.125 184 R CA 1.769 57.910 56.100 0.069 0.000 0.914 184 R CB -1.212 29.117 30.300 0.049 0.000 0.845 184 R HN 0.385 nan 8.270 nan 0.000 0.431 185 I N 0.914 121.501 120.570 0.029 0.000 2.236 185 I HA -0.315 3.855 4.170 -0.000 0.000 0.249 185 I C 2.273 178.386 176.117 -0.007 0.000 1.102 185 I CA 1.811 63.115 61.300 0.007 0.000 1.365 185 I CB -0.714 37.284 38.000 -0.004 0.000 1.051 185 I HN 0.235 nan 8.210 nan 0.000 0.420 186 T N 0.237 114.787 114.554 -0.007 0.000 2.737 186 T HA -0.141 4.209 4.350 -0.000 0.000 0.265 186 T C 1.705 176.396 174.700 -0.015 0.000 1.038 186 T CA 1.402 63.487 62.100 -0.025 0.000 1.144 186 T CB -0.219 68.618 68.868 -0.051 0.000 0.866 186 T HN 0.443 nan 8.240 nan 0.000 0.434 187 E N 0.727 120.933 120.200 0.010 0.000 2.130 187 E HA -0.107 4.243 4.350 -0.000 0.000 0.196 187 E C 2.030 178.621 176.600 -0.015 0.000 0.998 187 E CA 0.970 57.375 56.400 0.008 0.000 0.806 187 E CB -0.321 29.395 29.700 0.026 0.000 0.738 187 E HN 0.481 nan 8.360 nan 0.000 0.459 188 I N 0.489 121.048 120.570 -0.018 0.000 2.094 188 I HA -0.259 3.911 4.170 -0.000 0.000 0.234 188 I C 2.315 178.386 176.117 -0.077 0.000 1.063 188 I CA 0.922 62.200 61.300 -0.037 0.000 1.328 188 I CB -0.331 37.655 38.000 -0.023 0.000 1.058 188 I HN -0.008 nan 8.210 nan 0.000 0.400 189 V N 0.522 120.391 119.914 -0.076 0.000 2.324 189 V HA -0.342 3.778 4.120 -0.000 0.000 0.250 189 V C 2.153 178.184 176.094 -0.106 0.000 1.060 189 V CA 1.989 64.223 62.300 -0.111 0.000 1.042 189 V CB -0.825 30.955 31.823 -0.072 0.000 0.650 189 V HN 0.453 nan 8.190 nan 0.000 0.450 190 D N 0.209 120.569 120.400 -0.067 0.000 2.133 190 D HA -0.193 4.447 4.640 -0.000 0.000 0.195 190 D C 2.166 178.428 176.300 -0.064 0.000 0.997 190 D CA 1.957 55.925 54.000 -0.052 0.000 0.840 190 D CB -0.009 40.772 40.800 -0.031 0.000 0.947 190 D HN 0.501 nan 8.370 nan 0.000 0.452 191 A N 0.137 122.914 122.820 -0.072 0.000 1.878 191 A HA -0.057 4.263 4.320 -0.000 0.000 0.213 191 A C 2.231 179.739 177.584 -0.128 0.000 1.192 191 A CA 0.405 52.398 52.037 -0.074 0.000 0.619 191 A CB -0.527 18.440 19.000 -0.054 0.000 0.837 191 A HN 0.101 nan 8.150 nan 0.000 0.446 192 I N -0.293 120.148 120.570 -0.214 0.000 2.087 192 I HA -0.267 3.903 4.170 -0.000 0.000 0.240 192 I C 2.662 178.553 176.117 -0.376 0.000 1.054 192 I CA 2.295 63.327 61.300 -0.447 0.000 1.311 192 I CB -0.649 36.926 38.000 -0.707 0.000 1.024 192 I HN 0.335 nan 8.210 nan 0.000 0.402 193 T N -0.447 113.948 114.554 -0.265 0.000 2.653 193 T HA -0.197 4.153 4.350 -0.000 0.000 0.268 193 T C 1.289 175.950 174.700 -0.065 0.000 1.035 193 T CA 1.990 64.007 62.100 -0.138 0.000 1.154 193 T CB -0.479 68.340 68.868 -0.082 0.000 0.862 193 T HN 0.587 nan 8.240 nan 0.000 0.441 194 T N -0.619 113.901 114.554 -0.058 0.000 3.341 194 T HA 0.393 4.743 4.350 -0.000 0.000 0.234 194 T C 0.632 175.327 174.700 -0.008 0.000 0.890 194 T CA -0.018 62.068 62.100 -0.023 0.000 0.952 194 T CB 0.093 68.948 68.868 -0.022 0.000 1.146 194 T HN 0.261 nan 8.240 nan 0.000 0.591 195 T N 0.102 114.659 114.554 0.005 0.000 3.491 195 T HA 0.377 4.726 4.350 -0.000 0.000 0.284 195 T C 1.086 175.835 174.700 0.082 0.000 0.905 195 T CA 0.032 62.154 62.100 0.036 0.000 1.017 195 T CB -0.349 68.539 68.868 0.032 0.000 1.202 195 T HN 0.594 nan 8.240 nan 0.000 0.518 196 A N 2.360 125.252 122.820 0.119 0.000 2.569 196 A HA 0.143 4.463 4.320 -0.000 0.000 0.288 196 A C 0.941 178.608 177.584 0.138 0.000 1.326 196 A CA 0.536 52.691 52.037 0.196 0.000 0.978 196 A CB -0.392 18.796 19.000 0.312 0.000 1.054 196 A HN 0.581 nan 8.150 nan 0.000 0.558 197 Q N 1.411 121.282 119.800 0.118 0.000 2.288 197 Q HA 0.003 4.343 4.340 -0.000 0.000 0.256 197 Q C 1.732 177.784 176.000 0.088 0.000 0.835 197 Q CA 0.606 56.462 55.803 0.088 0.000 0.958 197 Q CB 0.307 29.084 28.738 0.066 0.000 1.125 197 Q HN 0.934 nan 8.270 nan 0.000 0.513 198 S N 0.200 115.972 115.700 0.119 0.000 2.163 198 S HA -0.009 4.460 4.470 -0.000 0.000 0.151 198 S C 0.539 175.213 174.600 0.123 0.000 1.382 198 S CA -0.101 58.181 58.200 0.137 0.000 2.383 198 S CB -0.631 62.709 63.200 0.234 0.000 0.325 198 S HN 0.196 nan 8.310 nan 0.000 0.349 199 H N 1.200 120.302 119.070 0.054 0.000 2.730 199 H HA 0.312 4.867 4.556 -0.000 0.000 0.376 199 H C 0.202 175.581 175.328 0.084 0.000 1.299 199 H CA 0.115 56.198 56.048 0.057 0.000 1.447 199 H CB -0.005 29.780 29.762 0.038 0.000 1.493 199 H HN 0.442 nan 8.280 nan 0.000 0.619 200 Q N 1.389 121.330 119.800 0.235 0.000 2.634 200 Q HA 0.034 4.374 4.340 -0.000 0.000 0.222 200 Q C -0.162 175.952 176.000 0.190 0.000 1.004 200 Q CA 0.161 56.104 55.803 0.234 0.000 0.965 200 Q CB -0.695 28.268 28.738 0.375 0.000 1.586 200 Q HN 0.276 nan 8.270 nan 0.000 0.409 201 R N -0.088 120.488 120.500 0.127 0.000 2.598 201 R HA -0.058 4.282 4.340 -0.000 0.000 0.266 201 R C -0.208 176.042 176.300 -0.084 0.000 0.977 201 R CA 0.868 56.944 56.100 -0.041 0.000 1.097 201 R CB 0.227 30.505 30.300 -0.037 0.000 0.911 201 R HN 0.109 nan 8.270 nan 0.000 0.419 202 T N 4.056 118.446 114.554 -0.273 0.000 3.428 202 T HA 0.209 4.559 4.350 -0.000 0.000 0.301 202 T C -0.589 174.002 174.700 -0.181 0.000 1.323 202 T CA -0.499 61.514 62.100 -0.144 0.000 1.647 202 T CB -0.095 68.705 68.868 -0.114 0.000 0.871 202 T HN 0.261 nan 8.240 nan 0.000 0.627 203 F N 1.050 121.024 119.950 0.039 0.000 2.628 203 F HA 0.151 4.678 4.527 -0.000 0.000 0.362 203 F C 1.048 176.878 175.800 0.049 0.000 1.148 203 F CA -0.159 57.866 58.000 0.041 0.000 1.352 203 F CB 0.402 39.426 39.000 0.041 0.000 1.081 203 F HN 0.082 nan 8.300 nan 0.000 0.605 204 V N 4.737 124.772 119.914 0.201 0.000 2.468 204 V HA 0.170 4.290 4.120 -0.000 0.000 0.256 204 V C -0.143 176.032 176.094 0.134 0.000 0.998 204 V CA -0.594 61.794 62.300 0.147 0.000 1.114 204 V CB -0.237 31.636 31.823 0.083 0.000 1.378 204 V HN 0.507 nan 8.190 nan 0.000 0.573 205 L N 1.921 123.236 121.223 0.152 0.000 2.540 205 L HA 0.252 4.592 4.340 -0.000 0.000 0.276 205 L C 0.580 177.499 176.870 0.081 0.000 1.212 205 L CA 0.674 55.578 54.840 0.106 0.000 0.893 205 L CB 0.194 42.304 42.059 0.084 0.000 1.138 205 L HN 0.584 nan 8.230 nan 0.000 0.491 206 E N 3.920 124.156 120.200 0.059 0.000 2.145 206 E HA 0.529 4.879 4.350 -0.000 0.000 0.270 206 E C -0.930 175.693 176.600 0.037 0.000 0.906 206 E CA -0.817 55.608 56.400 0.042 0.000 0.761 206 E CB 1.856 31.572 29.700 0.026 0.000 1.116 206 E HN 0.450 nan 8.360 nan 0.000 0.408 207 V N 1.448 121.381 119.914 0.032 0.000 3.096 207 V HA 0.538 4.658 4.120 -0.000 0.000 0.319 207 V C 0.467 176.574 176.094 0.021 0.000 1.103 207 V CA -1.073 61.241 62.300 0.024 0.000 1.016 207 V CB 1.549 33.381 31.823 0.014 0.000 1.090 207 V HN 0.946 nan 8.190 nan 0.000 0.449 208 M N 1.298 120.909 119.600 0.018 0.000 1.790 208 M HA 0.503 4.983 4.480 -0.000 0.000 0.172 208 M C 0.658 176.975 176.300 0.028 0.000 1.275 208 M CA 2.022 57.333 55.300 0.017 0.000 0.784 208 M CB 0.166 32.769 32.600 0.006 0.000 1.117 208 M HN 1.886 nan 8.290 nan 0.000 0.337 209 G N 1.231 110.051 108.800 0.035 0.000 2.798 209 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.658 209 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.658 209 G C 0.090 175.015 174.900 0.042 0.000 1.148 209 G CA 0.052 45.181 45.100 0.049 0.000 1.200 209 G HN 0.975 nan 8.290 nan 0.000 0.519 210 R N 1.014 121.561 120.500 0.079 0.000 2.092 210 R HA -0.055 4.285 4.340 -0.000 0.000 0.226 210 R C 1.535 177.838 176.300 0.004 0.000 1.140 210 R CA 1.883 58.037 56.100 0.089 0.000 0.910 210 R CB -0.218 30.238 30.300 0.261 0.000 0.822 210 R HN 0.536 nan 8.270 nan 0.000 0.433 211 H N -1.395 117.677 119.070 0.003 0.000 2.705 211 H HA 0.288 4.843 4.556 -0.000 0.000 0.269 211 H C -0.344 174.968 175.328 -0.027 0.000 0.998 211 H CA -0.614 55.431 56.048 -0.005 0.000 1.193 211 H CB 0.437 30.194 29.762 -0.008 0.000 1.485 211 H HN 0.242 nan 8.280 nan 0.000 0.521 212 C N 1.379 120.731 119.300 0.086 0.000 2.295 212 C HA 0.585 5.045 4.460 -0.000 0.000 0.331 212 C C 1.970 176.982 174.990 0.036 0.000 1.280 212 C CA -0.317 58.707 59.018 0.010 0.000 1.746 212 C CB -0.370 27.368 27.740 -0.004 0.000 2.328 212 C HN 0.695 nan 8.230 nan 0.000 0.521 213 G N 3.303 112.121 108.800 0.029 0.000 2.920 213 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.208 213 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.208 213 G C 0.890 175.899 174.900 0.182 0.000 1.159 213 G CA 0.307 45.464 45.100 0.095 0.000 0.784 213 G HN 0.899 nan 8.290 nan 0.000 0.535 214 Y N 1.414 121.755 120.300 0.068 0.000 1.857 214 Y HA -0.314 4.236 4.550 -0.000 0.000 0.218 214 Y C 2.593 178.543 175.900 0.084 0.000 1.057 214 Y CA 1.972 60.142 58.100 0.117 0.000 1.006 214 Y CB -0.785 37.691 38.460 0.026 0.000 0.886 214 Y HN 0.112 nan 8.280 nan 0.000 0.527 215 L N 0.253 121.430 121.223 -0.077 0.000 2.085 215 L HA -0.374 3.966 4.340 -0.000 0.000 0.218 215 L C 2.670 179.446 176.870 -0.156 0.000 1.080 215 L CA 2.303 57.049 54.840 -0.156 0.000 0.776 215 L CB -1.359 40.704 42.059 0.008 0.000 0.891 215 L HN 0.495 nan 8.230 nan 0.000 0.437 216 A N -1.196 121.576 122.820 -0.080 0.000 1.902 216 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 216 A C 2.192 179.688 177.584 -0.147 0.000 1.181 216 A CA 1.867 53.860 52.037 -0.074 0.000 0.623 216 A CB -0.667 18.320 19.000 -0.022 0.000 0.818 216 A HN 0.329 nan 8.150 nan 0.000 0.443 217 L N 0.056 121.184 121.223 -0.157 0.000 2.007 217 L HA -0.051 4.289 4.340 -0.000 0.000 0.205 217 L C 2.401 179.109 176.870 -0.270 0.000 1.073 217 L CA 2.060 56.771 54.840 -0.216 0.000 0.744 217 L CB -0.808 41.200 42.059 -0.085 0.000 0.898 217 L HN 0.157 nan 8.230 nan 0.000 0.435 218 V N -0.874 118.861 119.914 -0.299 0.000 2.380 218 V HA -0.326 3.794 4.120 -0.000 0.000 0.251 218 V C 2.601 178.570 176.094 -0.208 0.000 1.063 218 V CA 2.227 64.350 62.300 -0.296 0.000 1.055 218 V CB -1.493 30.016 31.823 -0.523 0.000 0.657 218 V HN 0.653 nan 8.190 nan 0.000 0.455 219 T N -0.792 113.642 114.554 -0.199 0.000 2.951 219 T HA -0.107 4.243 4.350 -0.000 0.000 0.268 219 T C 2.001 176.625 174.700 -0.126 0.000 1.073 219 T CA 1.672 63.692 62.100 -0.133 0.000 1.134 219 T CB -0.166 68.641 68.868 -0.103 0.000 0.884 219 T HN 0.599 nan 8.240 nan 0.000 0.479 220 S N 1.119 116.698 115.700 -0.203 0.000 2.395 220 S HA 0.076 4.546 4.470 -0.000 0.000 0.225 220 S C 1.714 176.244 174.600 -0.117 0.000 1.027 220 S CA 0.402 58.458 58.200 -0.239 0.000 0.965 220 S CB -0.326 62.493 63.200 -0.634 0.000 0.812 220 S HN 0.328 nan 8.310 nan 0.000 0.482 221 L N 2.388 123.535 121.223 -0.127 0.000 2.275 221 L HA 0.023 4.363 4.340 -0.000 0.000 0.215 221 L C 2.014 178.884 176.870 -0.000 0.000 1.119 221 L CA 1.375 56.225 54.840 0.018 0.000 0.790 221 L CB -0.646 41.407 42.059 -0.011 0.000 0.919 221 L HN 0.336 nan 8.230 nan 0.000 0.443 222 S N -3.577 112.099 115.700 -0.040 0.000 2.503 222 S HA -0.026 4.444 4.470 -0.000 0.000 0.217 222 S C 1.719 176.308 174.600 -0.018 0.000 0.999 222 S CA 0.436 58.614 58.200 -0.036 0.000 0.914 222 S CB -0.688 62.476 63.200 -0.060 0.000 0.782 222 S HN 0.467 nan 8.310 nan 0.000 0.520 223 C N 0.942 120.237 119.300 -0.010 0.000 2.700 223 C HA 0.667 5.127 4.460 -0.000 0.000 0.297 223 C C 1.742 176.754 174.990 0.036 0.000 1.293 223 C CA -0.258 58.762 59.018 0.004 0.000 1.756 223 C CB -0.746 26.990 27.740 -0.006 0.000 2.210 223 C HN 0.737 nan 8.230 nan 0.000 0.553 224 G N 1.473 110.313 108.800 0.066 0.000 2.325 224 G HA2 0.155 4.115 3.960 -0.000 0.000 0.248 224 G HA3 0.155 4.115 3.960 -0.000 0.000 0.248 224 G C -0.006 174.978 174.900 0.140 0.000 1.108 224 G CA 0.106 45.268 45.100 0.104 0.000 0.881 224 G HN 0.960 nan 8.290 nan 0.000 0.494 225 A N -0.215 122.709 122.820 0.172 0.000 2.531 225 A HA 0.441 4.761 4.320 -0.000 0.000 0.236 225 A C 1.299 179.028 177.584 0.241 0.000 1.062 225 A CA 0.838 52.974 52.037 0.166 0.000 0.760 225 A CB 0.302 19.342 19.000 0.066 0.000 0.995 225 A HN 0.423 nan 8.150 nan 0.000 0.501 226 D N 0.239 120.760 120.400 0.202 0.000 2.312 226 D HA 0.001 4.641 4.640 -0.000 0.000 0.211 226 D C 0.024 176.492 176.300 0.280 0.000 0.964 226 D CA 1.058 55.177 54.000 0.198 0.000 0.877 226 D CB 0.291 41.192 40.800 0.168 0.000 0.924 226 D HN 0.646 nan 8.370 nan 0.000 0.515 227 W N -0.122 121.234 121.300 0.093 0.000 2.982 227 W HA 0.304 4.964 4.660 -0.000 0.000 0.344 227 W C -2.228 174.296 176.519 0.008 0.000 1.215 227 W CA -0.384 56.964 57.345 0.004 0.000 1.182 227 W CB 0.788 30.187 29.460 -0.103 0.000 1.437 227 W HN -0.487 nan 8.180 nan 0.000 0.570 228 V N 2.033 121.720 119.914 -0.378 0.000 3.216 228 V HA 0.604 4.724 4.120 -0.000 0.000 0.302 228 V C -1.566 174.367 176.094 -0.269 0.000 1.286 228 V CA -0.716 61.504 62.300 -0.133 0.000 1.048 228 V CB 2.681 34.377 31.823 -0.212 0.000 1.081 228 V HN 0.310 nan 8.190 nan 0.000 0.442 229 F N 3.313 123.289 119.950 0.043 0.000 2.562 229 F HA 0.787 5.314 4.527 -0.000 0.000 0.319 229 F C -0.188 175.555 175.800 -0.096 0.000 1.154 229 F CA -0.496 57.497 58.000 -0.012 0.000 0.931 229 F CB 1.798 40.791 39.000 -0.012 0.000 1.198 229 F HN 0.415 nan 8.300 nan 0.000 0.444 230 I N 0.804 121.341 120.570 -0.055 0.000 2.865 230 I HA 0.608 4.778 4.170 -0.000 0.000 0.302 230 I C -2.596 173.433 176.117 -0.147 0.000 1.140 230 I CA -2.534 58.701 61.300 -0.109 0.000 1.021 230 I CB 2.421 40.303 38.000 -0.196 0.000 1.233 230 I HN 0.173 nan 8.210 nan 0.000 0.427 231 P HA -0.158 nan 4.420 nan 0.000 0.212 231 P C 0.829 178.062 177.300 -0.111 0.000 1.178 231 P CA 1.684 64.732 63.100 -0.087 0.000 0.915 231 P CB 0.096 31.780 31.700 -0.028 0.000 0.788 232 E N -2.115 118.063 120.200 -0.037 0.000 2.448 232 E HA -0.113 4.237 4.350 -0.000 0.000 0.203 232 E C 0.368 176.937 176.600 -0.053 0.000 1.046 232 E CA 0.614 57.041 56.400 0.045 0.000 0.871 232 E CB -0.686 29.072 29.700 0.097 0.000 0.790 232 E HN 0.134 nan 8.360 nan 0.000 0.545 233 C N 1.135 120.260 119.300 -0.292 0.000 3.392 233 C HA 0.225 4.685 4.460 -0.000 0.000 0.217 233 C C -2.593 172.164 174.990 -0.389 0.000 1.222 233 C CA -1.844 56.967 59.018 -0.345 0.000 1.200 233 C CB -0.174 27.324 27.740 -0.403 0.000 1.818 233 C HN 0.144 nan 8.230 nan 0.000 0.586 234 P HA 0.174 nan 4.420 nan 0.000 0.268 234 P C -2.029 175.152 177.300 -0.200 0.000 1.205 234 P CA -0.557 62.301 63.100 -0.404 0.000 0.771 234 P CB 0.433 31.785 31.700 -0.579 0.000 0.858 235 P HA -0.130 nan 4.420 nan 0.000 0.301 235 P C -0.467 176.954 177.300 0.202 0.000 1.445 235 P CA 0.283 63.385 63.100 0.003 0.000 0.741 235 P CB -0.491 31.038 31.700 -0.285 0.000 1.426 236 D N 2.231 122.723 120.400 0.154 0.000 4.969 236 D HA -0.161 4.479 4.640 -0.000 0.000 0.168 236 D C 0.635 177.097 176.300 0.270 0.000 1.078 236 D CA 1.696 55.822 54.000 0.210 0.000 0.693 236 D CB -0.206 40.695 40.800 0.169 0.000 1.245 236 D HN 0.314 nan 8.370 nan 0.000 0.682 237 D N 0.943 121.513 120.400 0.283 0.000 10.655 237 D HA -0.197 4.443 4.640 -0.000 0.000 0.358 237 D C -0.314 176.153 176.300 0.279 0.000 3.091 237 D CA -0.012 54.129 54.000 0.235 0.000 2.547 237 D CB -0.463 40.440 40.800 0.171 0.000 1.197 237 D HN 0.565 nan 8.370 nan 0.000 0.966 238 N N 1.046 119.829 118.700 0.139 0.000 2.189 238 N HA -0.046 4.694 4.740 -0.000 0.000 0.284 238 N C 1.198 176.807 175.510 0.165 0.000 1.362 238 N CA 0.792 53.874 53.050 0.054 0.000 1.051 238 N CB -0.194 38.302 38.487 0.015 0.000 1.477 238 N HN 0.388 nan 8.380 nan 0.000 0.484 239 W N 2.677 124.032 121.300 0.092 0.000 2.699 239 W HA 0.249 4.909 4.660 -0.000 0.000 0.265 239 W C 1.301 177.789 176.519 -0.051 0.000 1.210 239 W CA 0.070 57.471 57.345 0.093 0.000 1.414 239 W CB -0.147 29.386 29.460 0.120 0.000 1.043 239 W HN 0.129 nan 8.180 nan 0.000 0.599 240 E N 1.544 121.327 120.200 -0.695 0.000 2.136 240 E HA -0.268 4.082 4.350 -0.000 0.000 0.202 240 E C 1.354 177.861 176.600 -0.156 0.000 1.019 240 E CA 2.581 58.711 56.400 -0.450 0.000 0.819 240 E CB -0.563 28.802 29.700 -0.558 0.000 0.739 240 E HN 0.383 nan 8.360 nan 0.000 0.458 241 D N -0.853 119.487 120.400 -0.100 0.000 2.078 241 D HA -0.173 4.467 4.640 -0.000 0.000 0.193 241 D C 1.805 178.145 176.300 0.067 0.000 0.990 241 D CA 1.418 55.406 54.000 -0.019 0.000 0.827 241 D CB -0.313 40.480 40.800 -0.011 0.000 0.975 241 D HN 0.173 nan 8.370 nan 0.000 0.451 242 H N 0.647 119.713 119.070 -0.007 0.000 2.252 242 H HA -0.150 4.406 4.556 -0.000 0.000 0.292 242 H C 2.045 177.349 175.328 -0.040 0.000 1.082 242 H CA 1.227 57.301 56.048 0.044 0.000 1.229 242 H CB -0.891 28.976 29.762 0.175 0.000 1.353 242 H HN 0.108 nan 8.280 nan 0.000 0.488 243 L N 0.306 121.373 121.223 -0.260 0.000 2.189 243 L HA -0.162 4.178 4.340 -0.000 0.000 0.214 243 L C 2.435 179.213 176.870 -0.153 0.000 1.097 243 L CA 1.612 56.149 54.840 -0.506 0.000 0.764 243 L CB -1.184 40.396 42.059 -0.799 0.000 0.900 243 L HN 0.461 nan 8.230 nan 0.000 0.436 244 C N -1.224 118.041 119.300 -0.058 0.000 2.538 244 C HA 0.041 4.501 4.460 -0.000 0.000 0.281 244 C C 2.761 177.776 174.990 0.042 0.000 1.320 244 C CA 0.431 59.447 59.018 -0.004 0.000 1.714 244 C CB -0.571 27.171 27.740 0.003 0.000 2.095 244 C HN 0.584 nan 8.230 nan 0.000 0.497 245 R N 1.355 121.893 120.500 0.064 0.000 2.113 245 R HA -0.189 4.151 4.340 -0.000 0.000 0.244 245 R C 2.362 178.718 176.300 0.094 0.000 1.142 245 R CA 1.750 57.900 56.100 0.083 0.000 0.953 245 R CB -0.313 30.052 30.300 0.108 0.000 0.860 245 R HN 0.525 nan 8.270 nan 0.000 0.438 246 R N 0.200 120.775 120.500 0.125 0.000 2.075 246 R HA -0.122 4.218 4.340 -0.000 0.000 0.230 246 R C 2.543 178.884 176.300 0.068 0.000 1.140 246 R CA 1.790 57.961 56.100 0.118 0.000 0.928 246 R CB -0.658 29.738 30.300 0.158 0.000 0.834 246 R HN 0.267 nan 8.270 nan 0.000 0.429 247 L N 1.028 122.269 121.223 0.030 0.000 2.189 247 L HA -0.229 4.111 4.340 -0.000 0.000 0.214 247 L C 2.582 179.441 176.870 -0.018 0.000 1.097 247 L CA 1.565 56.383 54.840 -0.036 0.000 0.764 247 L CB -0.304 41.681 42.059 -0.124 0.000 0.900 247 L HN 0.361 nan 8.230 nan 0.000 0.436 248 S N -1.658 114.080 115.700 0.063 0.000 2.404 248 S HA -0.076 4.394 4.470 -0.000 0.000 0.223 248 S C 1.668 176.324 174.600 0.094 0.000 1.040 248 S CA 0.187 58.466 58.200 0.133 0.000 0.957 248 S CB -0.244 63.039 63.200 0.140 0.000 0.826 248 S HN 0.386 nan 8.310 nan 0.000 0.491 249 E N 1.090 121.332 120.200 0.070 0.000 2.035 249 E HA -0.207 4.143 4.350 -0.000 0.000 0.204 249 E C 2.235 178.869 176.600 0.057 0.000 1.025 249 E CA 1.778 58.211 56.400 0.055 0.000 0.835 249 E CB -0.603 29.125 29.700 0.047 0.000 0.764 249 E HN 0.612 nan 8.360 nan 0.000 0.457 250 T N 0.610 115.199 114.554 0.058 0.000 2.849 250 T HA -0.187 4.163 4.350 -0.000 0.000 0.270 250 T C 1.872 176.613 174.700 0.068 0.000 1.066 250 T CA 1.197 63.334 62.100 0.062 0.000 1.130 250 T CB -0.104 68.801 68.868 0.061 0.000 0.864 250 T HN 0.011 nan 8.240 nan 0.000 0.481 251 R N 0.307 120.855 120.500 0.080 0.000 2.066 251 R HA -0.051 4.289 4.340 -0.000 0.000 0.232 251 R C 2.590 178.957 176.300 0.111 0.000 1.131 251 R CA 2.172 58.346 56.100 0.123 0.000 0.955 251 R CB -1.370 29.072 30.300 0.238 0.000 0.851 251 R HN 0.452 nan 8.270 nan 0.000 0.432 252 T N 0.400 115.010 114.554 0.093 0.000 3.023 252 T HA -0.017 4.333 4.350 -0.000 0.000 0.266 252 T C 1.710 176.445 174.700 0.057 0.000 1.093 252 T CA 0.379 62.520 62.100 0.069 0.000 1.129 252 T CB -0.189 68.712 68.868 0.056 0.000 0.899 252 T HN 0.102 nan 8.240 nan 0.000 0.491 253 R N 1.086 121.622 120.500 0.059 0.000 2.339 253 R HA 0.089 4.429 4.340 -0.000 0.000 0.199 253 R C 0.784 177.121 176.300 0.062 0.000 1.018 253 R CA 0.700 56.833 56.100 0.055 0.000 1.036 253 R CB -1.125 29.210 30.300 0.057 0.000 0.899 253 R HN 0.582 nan 8.270 nan 0.000 0.473 254 G N 0.988 109.827 108.800 0.064 0.000 3.129 254 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.385 254 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.385 254 G C -0.682 174.260 174.900 0.069 0.000 1.046 254 G CA 0.264 45.402 45.100 0.063 0.000 0.933 254 G HN 0.486 nan 8.290 nan 0.000 0.424 255 S N 1.268 117.013 115.700 0.075 0.000 2.558 255 S HA 0.728 5.198 4.470 -0.000 0.000 0.277 255 S C 0.633 175.285 174.600 0.086 0.000 1.143 255 S CA -0.375 57.871 58.200 0.077 0.000 0.865 255 S CB 1.762 65.008 63.200 0.077 0.000 1.102 255 S HN 0.738 nan 8.310 nan 0.000 0.454 256 R N 0.482 121.034 120.500 0.088 0.000 2.013 256 R HA 0.341 4.681 4.340 -0.000 0.000 0.201 256 R C 0.932 177.303 176.300 0.119 0.000 1.312 256 R CA 0.781 56.943 56.100 0.103 0.000 1.076 256 R CB -0.757 29.603 30.300 0.100 0.000 0.817 256 R HN 0.740 nan 8.270 nan 0.000 0.494 257 L N -0.198 121.108 121.223 0.138 0.000 2.543 257 L HA 0.382 4.722 4.340 -0.000 0.000 0.231 257 L C -0.308 176.640 176.870 0.131 0.000 1.194 257 L CA -0.798 54.148 54.840 0.176 0.000 0.823 257 L CB 0.287 42.510 42.059 0.274 0.000 1.374 257 L HN 0.177 nan 8.230 nan 0.000 0.507 258 N N -0.048 118.751 118.700 0.166 0.000 2.371 258 N HA 0.473 5.213 4.740 -0.000 0.000 0.280 258 N C -1.679 173.950 175.510 0.198 0.000 1.084 258 N CA -0.319 52.804 53.050 0.122 0.000 0.892 258 N CB 2.661 41.163 38.487 0.026 0.000 1.653 258 N HN 0.409 nan 8.380 nan 0.000 0.480 259 I N 2.773 123.448 120.570 0.175 0.000 2.495 259 I HA 0.295 4.465 4.170 -0.000 0.000 0.277 259 I C -0.308 175.921 176.117 0.187 0.000 1.045 259 I CA -0.408 61.007 61.300 0.191 0.000 1.135 259 I CB 0.877 38.951 38.000 0.124 0.000 1.241 259 I HN 0.395 nan 8.210 nan 0.000 0.469 260 I N 6.463 127.159 120.570 0.211 0.000 2.294 260 I HA 0.209 4.379 4.170 -0.000 0.000 0.295 260 I C 0.401 176.669 176.117 0.252 0.000 1.098 260 I CA -0.346 61.117 61.300 0.271 0.000 1.277 260 I CB -0.296 37.878 38.000 0.289 0.000 1.434 260 I HN 0.239 nan 8.210 nan 0.000 0.498 261 I N 6.880 127.575 120.570 0.207 0.000 2.720 261 I HA 0.208 4.378 4.170 -0.000 0.000 0.287 261 I C 0.381 176.642 176.117 0.240 0.000 1.090 261 I CA -0.095 61.297 61.300 0.154 0.000 1.384 261 I CB 1.234 39.264 38.000 0.050 0.000 1.420 261 I HN 0.173 nan 8.210 nan 0.000 0.575 262 V N 5.076 125.092 119.914 0.170 0.000 2.569 262 V HA 0.671 4.791 4.120 -0.000 0.000 0.301 262 V C 0.109 176.251 176.094 0.080 0.000 1.044 262 V CA -1.043 61.356 62.300 0.165 0.000 0.874 262 V CB 1.340 33.179 31.823 0.028 0.000 1.002 262 V HN 0.898 nan 8.190 nan 0.000 0.424 263 A N 2.736 125.604 122.820 0.081 0.000 2.366 263 A HA 0.404 4.724 4.320 -0.000 0.000 0.249 263 A C 1.194 178.783 177.584 0.009 0.000 1.084 263 A CA 0.152 52.210 52.037 0.034 0.000 0.794 263 A CB 0.403 19.418 19.000 0.025 0.000 1.034 263 A HN 0.991 nan 8.150 nan 0.000 0.491 264 E N 1.362 121.563 120.200 0.001 0.000 2.015 264 E HA -0.133 4.217 4.350 -0.000 0.000 0.191 264 E C 1.720 178.299 176.600 -0.035 0.000 0.991 264 E CA 1.112 57.505 56.400 -0.012 0.000 0.802 264 E CB -0.337 29.363 29.700 -0.000 0.000 0.759 264 E HN 0.848 nan 8.360 nan 0.000 0.447 265 G N 0.623 109.395 108.800 -0.048 0.000 2.843 265 G HA2 0.024 3.984 3.960 -0.000 0.000 0.205 265 G HA3 0.024 3.984 3.960 -0.000 0.000 0.205 265 G C 0.316 175.174 174.900 -0.071 0.000 1.160 265 G CA 0.352 45.398 45.100 -0.090 0.000 0.819 265 G HN 0.353 nan 8.290 nan 0.000 0.516 266 A N 0.776 123.567 122.820 -0.049 0.000 2.513 266 A HA 0.455 4.775 4.320 -0.000 0.000 0.274 266 A C 0.601 178.147 177.584 -0.062 0.000 1.115 266 A CA 0.022 52.033 52.037 -0.043 0.000 0.792 266 A CB -0.498 18.470 19.000 -0.054 0.000 1.053 266 A HN 0.757 nan 8.150 nan 0.000 0.515 267 I N -0.364 120.171 120.570 -0.058 0.000 3.170 267 I HA 0.814 4.984 4.170 -0.000 0.000 0.312 267 I C -0.369 175.716 176.117 -0.053 0.000 1.085 267 I CA -1.231 60.047 61.300 -0.037 0.000 0.999 267 I CB 2.074 40.065 38.000 -0.015 0.000 1.233 267 I HN 0.554 nan 8.210 nan 0.000 0.467 268 D N 1.284 121.694 120.400 0.016 0.000 2.569 268 D HA 0.276 4.916 4.640 -0.000 0.000 0.266 268 D C 1.024 177.352 176.300 0.047 0.000 1.164 268 D CA -0.667 53.361 54.000 0.047 0.000 1.071 268 D CB 0.966 41.931 40.800 0.275 0.000 1.183 268 D HN 0.737 nan 8.370 nan 0.000 0.613 269 R N -0.141 120.429 120.500 0.117 0.000 2.162 269 R HA -0.248 4.092 4.340 -0.000 0.000 0.245 269 R C 1.434 177.887 176.300 0.254 0.000 1.129 269 R CA 2.304 58.501 56.100 0.160 0.000 0.940 269 R CB -0.389 30.035 30.300 0.207 0.000 0.875 269 R HN 0.499 nan 8.270 nan 0.000 0.437 270 N N -1.455 117.370 118.700 0.208 0.000 2.135 270 N HA -0.041 4.699 4.740 -0.000 0.000 0.186 270 N C 1.418 177.041 175.510 0.188 0.000 1.027 270 N CA 1.760 54.922 53.050 0.187 0.000 0.849 270 N CB 0.183 38.754 38.487 0.139 0.000 1.002 270 N HN 0.586 nan 8.380 nan 0.000 0.425 271 G N -0.102 108.793 108.800 0.159 0.000 2.977 271 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.211 271 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.211 271 G C -0.420 174.535 174.900 0.091 0.000 0.994 271 G CA -0.505 44.674 45.100 0.133 0.000 0.795 271 G HN 0.086 nan 8.290 nan 0.000 0.518 272 K N 3.388 123.845 120.400 0.095 0.000 2.163 272 K HA 0.335 4.655 4.320 -0.000 0.000 0.267 272 K C -1.908 174.738 176.600 0.077 0.000 1.098 272 K CA -1.147 55.187 56.287 0.077 0.000 1.062 272 K CB 0.019 32.567 32.500 0.080 0.000 1.033 272 K HN 0.337 nan 8.250 nan 0.000 0.396 273 P HA -0.192 nan 4.420 nan 0.000 0.267 273 P C -0.209 177.102 177.300 0.020 0.000 1.158 273 P CA 0.463 63.573 63.100 0.017 0.000 0.756 273 P CB 0.407 32.106 31.700 -0.002 0.000 0.766 274 I N 1.801 122.355 120.570 -0.026 0.000 2.428 274 I HA 0.216 4.386 4.170 -0.000 0.000 0.289 274 I C 1.270 177.312 176.117 -0.126 0.000 1.019 274 I CA 0.064 61.318 61.300 -0.076 0.000 1.351 274 I CB 0.639 38.467 38.000 -0.287 0.000 1.412 274 I HN 0.317 nan 8.210 nan 0.000 0.513 275 T N 2.314 116.804 114.554 -0.107 0.000 2.829 275 T HA 0.198 4.548 4.350 -0.000 0.000 0.280 275 T C 1.159 175.786 174.700 -0.122 0.000 0.999 275 T CA -0.216 61.828 62.100 -0.093 0.000 0.983 275 T CB 1.204 70.047 68.868 -0.043 0.000 0.968 275 T HN 0.764 nan 8.240 nan 0.000 0.446 276 S N 3.271 118.912 115.700 -0.099 0.000 2.400 276 S HA -0.122 4.348 4.470 -0.000 0.000 0.232 276 S C 1.483 176.055 174.600 -0.047 0.000 1.025 276 S CA 1.410 59.562 58.200 -0.080 0.000 0.993 276 S CB -0.372 62.807 63.200 -0.035 0.000 0.808 276 S HN 0.823 nan 8.310 nan 0.000 0.478 277 E N 1.423 121.602 120.200 -0.034 0.000 2.051 277 E HA 0.060 4.410 4.350 -0.000 0.000 0.189 277 E C 2.408 178.995 176.600 -0.022 0.000 0.979 277 E CA 1.075 57.463 56.400 -0.020 0.000 0.803 277 E CB -1.529 28.163 29.700 -0.014 0.000 0.761 277 E HN 0.599 nan 8.360 nan 0.000 0.451 278 G N 2.236 111.020 108.800 -0.028 0.000 2.476 278 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.218 278 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.218 278 G C 1.875 176.767 174.900 -0.012 0.000 1.164 278 G CA 1.704 46.793 45.100 -0.017 0.000 0.768 278 G HN 0.193 nan 8.290 nan 0.000 0.560 279 V N 1.271 121.164 119.914 -0.035 0.000 2.252 279 V HA -0.228 3.892 4.120 -0.000 0.000 0.249 279 V C 2.799 178.897 176.094 0.007 0.000 1.056 279 V CA 2.259 64.551 62.300 -0.014 0.000 1.022 279 V CB -0.468 31.302 31.823 -0.089 0.000 0.641 279 V HN 0.329 nan 8.190 nan 0.000 0.445 280 K N 0.006 120.403 120.400 -0.004 0.000 2.103 280 K HA -0.238 4.082 4.320 -0.000 0.000 0.207 280 K C 1.821 178.423 176.600 0.003 0.000 1.048 280 K CA 2.049 58.337 56.287 0.001 0.000 0.930 280 K CB -0.569 31.928 32.500 -0.005 0.000 0.716 280 K HN 0.570 nan 8.250 nan 0.000 0.444 281 D N 1.049 121.447 120.400 -0.003 0.000 2.078 281 D HA -0.193 4.447 4.640 -0.000 0.000 0.193 281 D C 2.057 178.356 176.300 -0.001 0.000 0.990 281 D CA 1.024 55.022 54.000 -0.004 0.000 0.827 281 D CB -0.405 40.389 40.800 -0.010 0.000 0.975 281 D HN 0.138 nan 8.370 nan 0.000 0.451 282 L N 1.800 123.020 121.223 -0.005 0.000 1.987 282 L HA -0.268 4.072 4.340 -0.000 0.000 0.230 282 L C 2.589 179.464 176.870 0.008 0.000 1.089 282 L CA 2.572 57.405 54.840 -0.011 0.000 0.802 282 L CB -1.206 40.847 42.059 -0.010 0.000 0.905 282 L HN 0.093 nan 8.230 nan 0.000 0.441 283 V N -2.555 117.373 119.914 0.023 0.000 2.380 283 V HA -0.252 3.868 4.120 -0.000 0.000 0.251 283 V C 2.220 178.369 176.094 0.092 0.000 1.063 283 V CA 2.133 64.466 62.300 0.054 0.000 1.055 283 V CB -1.476 30.370 31.823 0.038 0.000 0.657 283 V HN 0.395 nan 8.190 nan 0.000 0.455 284 V N 0.629 120.579 119.914 0.060 0.000 2.379 284 V HA -0.123 3.997 4.120 -0.000 0.000 0.245 284 V C 2.924 179.035 176.094 0.028 0.000 1.044 284 V CA 2.356 64.689 62.300 0.054 0.000 1.036 284 V CB -0.948 30.891 31.823 0.026 0.000 0.664 284 V HN 0.483 nan 8.190 nan 0.000 0.453 285 R N -0.112 120.396 120.500 0.013 0.000 2.090 285 R HA -0.059 4.281 4.340 -0.000 0.000 0.228 285 R C 2.494 178.794 176.300 -0.000 0.000 1.110 285 R CA 1.302 57.401 56.100 -0.001 0.000 0.973 285 R CB -0.233 30.060 30.300 -0.012 0.000 0.869 285 R HN 0.404 nan 8.270 nan 0.000 0.440 286 R N -0.076 120.431 120.500 0.010 0.000 2.112 286 R HA 0.070 4.410 4.340 -0.000 0.000 0.216 286 R C 1.487 177.809 176.300 0.037 0.000 1.080 286 R CA 0.705 56.812 56.100 0.012 0.000 0.996 286 R CB 0.402 30.703 30.300 0.001 0.000 0.902 286 R HN 0.096 nan 8.270 nan 0.000 0.449 287 L N -1.277 119.997 121.223 0.086 0.000 2.653 287 L HA 0.333 4.673 4.340 -0.000 0.000 0.230 287 L C 0.746 177.617 176.870 0.001 0.000 1.055 287 L CA 1.213 56.130 54.840 0.128 0.000 0.880 287 L CB -0.017 42.296 42.059 0.424 0.000 1.195 287 L HN 0.490 nan 8.230 nan 0.000 0.492 288 G N 0.772 109.605 108.800 0.056 0.000 2.326 288 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.286 288 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.286 288 G C -0.501 174.361 174.900 -0.062 0.000 1.096 288 G CA 0.040 45.131 45.100 -0.015 0.000 1.003 288 G HN 0.237 nan 8.290 nan 0.000 0.503 289 Y N 0.123 120.420 120.300 -0.005 0.000 2.419 289 Y HA 0.425 4.975 4.550 -0.000 0.000 0.328 289 Y C 0.896 176.779 175.900 -0.028 0.000 1.162 289 Y CA -0.957 57.142 58.100 -0.001 0.000 1.174 289 Y CB 0.976 39.437 38.460 0.003 0.000 1.228 289 Y HN 0.356 nan 8.280 nan 0.000 0.473 290 D N 1.174 121.648 120.400 0.123 0.000 2.367 290 D HA 0.004 4.644 4.640 -0.000 0.000 0.255 290 D C -0.549 175.722 176.300 -0.048 0.000 1.300 290 D CA 0.018 54.020 54.000 0.003 0.000 0.959 290 D CB 0.163 40.926 40.800 -0.062 0.000 1.064 290 D HN 0.339 nan 8.370 nan 0.000 0.509 291 T N 2.625 117.153 114.554 -0.043 0.000 2.922 291 T HA 0.404 4.754 4.350 -0.000 0.000 0.285 291 T C 0.275 174.897 174.700 -0.131 0.000 1.005 291 T CA -0.729 61.315 62.100 -0.094 0.000 1.061 291 T CB 1.522 70.373 68.868 -0.029 0.000 1.007 291 T HN 0.429 nan 8.240 nan 0.000 0.502 292 R N 2.352 122.746 120.500 -0.178 0.000 2.631 292 R HA 0.413 4.753 4.340 -0.000 0.000 0.289 292 R C -1.400 174.883 176.300 -0.028 0.000 1.303 292 R CA -0.367 55.660 56.100 -0.122 0.000 0.989 292 R CB 0.704 30.892 30.300 -0.187 0.000 1.208 292 R HN 0.463 nan 8.270 nan 0.000 0.461 293 V N 3.213 123.130 119.914 0.006 0.000 2.843 293 V HA 0.231 4.351 4.120 -0.000 0.000 0.305 293 V C 0.386 176.521 176.094 0.070 0.000 1.065 293 V CA 0.471 62.797 62.300 0.043 0.000 1.116 293 V CB 1.520 33.356 31.823 0.023 0.000 0.968 293 V HN 0.778 nan 8.190 nan 0.000 0.487 294 T N 2.977 117.584 114.554 0.089 0.000 2.903 294 T HA 0.560 4.910 4.350 -0.000 0.000 0.299 294 T C -0.692 174.047 174.700 0.065 0.000 1.093 294 T CA -0.364 61.788 62.100 0.086 0.000 1.002 294 T CB 1.957 70.894 68.868 0.115 0.000 1.127 294 T HN 0.326 nan 8.240 nan 0.000 0.488 295 V N 3.832 123.778 119.914 0.054 0.000 2.462 295 V HA 0.136 4.256 4.120 -0.000 0.000 0.257 295 V C 1.030 177.154 176.094 0.049 0.000 0.944 295 V CA -0.380 61.949 62.300 0.047 0.000 0.903 295 V CB 0.319 32.166 31.823 0.039 0.000 1.128 295 V HN 0.756 nan 8.190 nan 0.000 0.486 296 L N 2.321 123.573 121.223 0.047 0.000 2.125 296 L HA -0.218 4.122 4.340 -0.000 0.000 0.234 296 L C 1.874 178.778 176.870 0.057 0.000 1.110 296 L CA 2.497 57.364 54.840 0.045 0.000 0.832 296 L CB -1.325 40.755 42.059 0.035 0.000 0.922 296 L HN 0.829 nan 8.230 nan 0.000 0.449 297 G N -2.496 106.342 108.800 0.064 0.000 3.747 297 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.410 297 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.410 297 G C 0.202 175.186 174.900 0.140 0.000 1.473 297 G CA 0.384 45.546 45.100 0.104 0.000 1.277 297 G HN 0.737 nan 8.290 nan 0.000 0.550 298 H N -1.680 117.399 119.070 0.015 0.000 2.577 298 H HA -0.204 4.352 4.556 -0.000 0.000 0.331 298 H C 2.101 177.433 175.328 0.007 0.000 0.953 298 H CA 2.282 58.336 56.048 0.010 0.000 1.153 298 H CB -0.821 28.946 29.762 0.007 0.000 1.428 298 H HN 1.377 nan 8.280 nan 0.000 0.375 299 V N -4.684 115.279 119.914 0.081 0.000 3.572 299 V HA 0.018 4.138 4.120 -0.000 0.000 0.260 299 V C 1.828 177.937 176.094 0.026 0.000 1.324 299 V CA 0.705 63.035 62.300 0.050 0.000 1.068 299 V CB 0.396 32.245 31.823 0.042 0.000 0.837 299 V HN 0.326 nan 8.190 nan 0.000 0.450 300 Q N 0.932 120.741 119.800 0.016 0.000 2.124 300 Q HA -0.097 4.243 4.340 -0.000 0.000 0.202 300 Q C 2.192 178.190 176.000 -0.003 0.000 0.977 300 Q CA 2.076 57.884 55.803 0.008 0.000 0.850 300 Q CB -0.252 28.486 28.738 -0.000 0.000 0.901 300 Q HN 0.608 nan 8.270 nan 0.000 0.429 301 R N 0.265 120.750 120.500 -0.025 0.000 2.307 301 R HA 0.057 4.397 4.340 -0.000 0.000 0.199 301 R C 1.014 177.306 176.300 -0.014 0.000 1.000 301 R CA 0.312 56.392 56.100 -0.033 0.000 1.023 301 R CB 0.149 30.408 30.300 -0.068 0.000 0.908 301 R HN 0.141 nan 8.270 nan 0.000 0.473 302 G N -0.393 108.407 108.800 0.000 0.000 2.543 302 G HA2 0.496 4.456 3.960 -0.000 0.000 0.267 302 G HA3 0.496 4.456 3.960 -0.000 0.000 0.267 302 G C 0.053 174.946 174.900 -0.012 0.000 1.406 302 G CA -0.045 45.054 45.100 -0.002 0.000 1.048 302 G HN 0.325 nan 8.290 nan 0.000 0.548 303 G N -1.991 106.799 108.800 -0.016 0.000 2.804 303 G HA2 0.182 4.142 3.960 -0.000 0.000 0.230 303 G HA3 0.182 4.142 3.960 -0.000 0.000 0.230 303 G C 0.274 175.146 174.900 -0.047 0.000 1.386 303 G CA 0.455 45.538 45.100 -0.028 0.000 0.875 303 G HN 1.610 nan 8.290 nan 0.000 0.557 304 T N 1.634 116.149 114.554 -0.066 0.000 2.928 304 T HA 0.685 5.034 4.350 -0.000 0.000 0.284 304 T C -2.027 172.608 174.700 -0.109 0.000 1.008 304 T CA -0.663 61.386 62.100 -0.085 0.000 1.057 304 T CB 1.568 70.381 68.868 -0.092 0.000 1.018 304 T HN 0.675 nan 8.240 nan 0.000 0.493 305 P HA 0.178 nan 4.420 nan 0.000 0.271 305 P C -0.104 177.103 177.300 -0.155 0.000 1.220 305 P CA -0.331 62.698 63.100 -0.119 0.000 0.768 305 P CB 0.508 32.140 31.700 -0.115 0.000 0.848 306 S N 2.332 117.924 115.700 -0.179 0.000 2.584 306 S HA 0.236 4.706 4.470 -0.000 0.000 0.270 306 S C 1.728 176.262 174.600 -0.110 0.000 1.346 306 S CA -0.054 58.011 58.200 -0.225 0.000 1.018 306 S CB 0.368 63.431 63.200 -0.228 0.000 0.899 306 S HN 0.554 nan 8.310 nan 0.000 0.542 307 A N 1.611 124.382 122.820 -0.081 0.000 1.927 307 A HA -0.123 4.196 4.320 -0.000 0.000 0.220 307 A C 1.781 179.348 177.584 -0.029 0.000 1.185 307 A CA 2.043 54.044 52.037 -0.059 0.000 0.639 307 A CB -1.188 17.791 19.000 -0.035 0.000 0.820 307 A HN 0.993 nan 8.150 nan 0.000 0.451 308 F N 1.093 120.982 119.950 -0.101 0.000 2.113 308 F HA -0.136 4.391 4.527 0.000 0.000 0.297 308 F C 1.884 177.626 175.800 -0.096 0.000 1.103 308 F CA 1.954 59.884 58.000 -0.117 0.000 1.248 308 F CB -0.356 38.550 39.000 -0.158 0.000 0.999 308 F HN 0.269 nan 8.300 nan 0.000 0.475 309 D N 0.040 120.238 120.400 -0.338 0.000 2.178 309 D HA -0.135 4.505 4.640 -0.000 0.000 0.202 309 D C 2.362 178.453 176.300 -0.347 0.000 0.974 309 D CA 0.934 54.683 54.000 -0.418 0.000 0.841 309 D CB -0.131 40.562 40.800 -0.179 0.000 0.953 309 D HN 0.397 nan 8.370 nan 0.000 0.478 310 R N 0.325 120.676 120.500 -0.250 0.000 2.066 310 R HA -0.030 4.310 4.340 -0.000 0.000 0.232 310 R C 2.602 178.766 176.300 -0.227 0.000 1.131 310 R CA 0.678 56.655 56.100 -0.205 0.000 0.955 310 R CB -0.245 29.957 30.300 -0.162 0.000 0.851 310 R HN 0.225 nan 8.270 nan 0.000 0.432 311 I N 0.809 121.232 120.570 -0.245 0.000 2.142 311 I HA -0.277 3.893 4.170 -0.000 0.000 0.240 311 I C 2.389 178.343 176.117 -0.271 0.000 1.078 311 I CA 0.851 62.024 61.300 -0.211 0.000 1.343 311 I CB -0.351 37.571 38.000 -0.130 0.000 1.046 311 I HN 0.106 nan 8.210 nan 0.000 0.405 312 L N 1.518 122.431 121.223 -0.517 0.000 2.129 312 L HA -0.134 4.206 4.340 -0.000 0.000 0.212 312 L C 2.274 178.965 176.870 -0.300 0.000 1.087 312 L CA 2.154 56.695 54.840 -0.498 0.000 0.757 312 L CB -1.345 40.153 42.059 -0.935 0.000 0.896 312 L HN 0.225 nan 8.230 nan 0.000 0.434 313 G N -1.535 107.094 108.800 -0.285 0.000 2.433 313 G HA2 -0.265 3.694 3.960 -0.000 0.000 0.216 313 G HA3 -0.265 3.694 3.960 -0.000 0.000 0.216 313 G C 1.509 176.314 174.900 -0.158 0.000 1.186 313 G CA 0.951 45.931 45.100 -0.201 0.000 0.779 313 G HN 0.532 nan 8.290 nan 0.000 0.543 314 S N 0.687 116.295 115.700 -0.154 0.000 2.368 314 S HA -0.099 4.371 4.470 -0.000 0.000 0.225 314 S C 2.288 176.828 174.600 -0.101 0.000 1.030 314 S CA 1.170 59.294 58.200 -0.127 0.000 0.999 314 S CB -0.248 62.877 63.200 -0.126 0.000 0.844 314 S HN 0.423 nan 8.310 nan 0.000 0.459 315 R N 0.686 121.132 120.500 -0.090 0.000 2.070 315 R HA 0.026 4.366 4.340 -0.000 0.000 0.233 315 R C 2.418 178.686 176.300 -0.054 0.000 1.137 315 R CA 1.484 57.555 56.100 -0.048 0.000 0.945 315 R CB -0.455 29.837 30.300 -0.013 0.000 0.845 315 R HN 0.330 nan 8.270 nan 0.000 0.430 316 M N 0.034 119.588 119.600 -0.077 0.000 2.108 316 M HA -0.082 4.398 4.480 -0.000 0.000 0.261 316 M C 2.405 178.661 176.300 -0.073 0.000 1.066 316 M CA 1.830 57.086 55.300 -0.074 0.000 1.107 316 M CB -1.680 30.861 32.600 -0.098 0.000 1.356 316 M HN 0.343 nan 8.290 nan 0.000 0.406 317 G N 0.286 109.034 108.800 -0.086 0.000 2.491 317 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.218 317 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.218 317 G C 1.676 176.536 174.900 -0.068 0.000 1.180 317 G CA 1.344 46.394 45.100 -0.084 0.000 0.774 317 G HN 0.374 nan 8.290 nan 0.000 0.562 318 V N 0.832 120.706 119.914 -0.066 0.000 2.407 318 V HA -0.140 3.980 4.120 -0.000 0.000 0.248 318 V C 2.665 178.743 176.094 -0.028 0.000 1.055 318 V CA 2.226 64.496 62.300 -0.050 0.000 1.049 318 V CB -0.327 31.464 31.823 -0.053 0.000 0.662 318 V HN 0.434 nan 8.190 nan 0.000 0.455 319 E N 0.989 121.173 120.200 -0.027 0.000 2.051 319 E HA -0.177 4.173 4.350 -0.000 0.000 0.192 319 E C 2.147 178.737 176.600 -0.017 0.000 0.991 319 E CA 1.766 58.157 56.400 -0.015 0.000 0.799 319 E CB -0.633 29.058 29.700 -0.015 0.000 0.748 319 E HN 0.477 nan 8.360 nan 0.000 0.449 320 A N 0.340 123.142 122.820 -0.030 0.000 1.852 320 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 320 A C 2.579 180.153 177.584 -0.017 0.000 1.215 320 A CA 2.398 54.417 52.037 -0.030 0.000 0.641 320 A CB -1.251 17.723 19.000 -0.043 0.000 0.838 320 A HN 0.193 nan 8.150 nan 0.000 0.450 321 V N -0.127 119.777 119.914 -0.017 0.000 2.370 321 V HA -0.362 3.758 4.120 -0.000 0.000 0.252 321 V C 2.715 178.816 176.094 0.012 0.000 1.068 321 V CA 2.264 64.563 62.300 -0.003 0.000 1.061 321 V CB -0.778 31.044 31.823 -0.002 0.000 0.656 321 V HN 0.517 nan 8.190 nan 0.000 0.455 322 M N -0.254 119.354 119.600 0.013 0.000 2.064 322 M HA -0.096 4.384 4.480 -0.000 0.000 0.260 322 M C 2.483 178.793 176.300 0.015 0.000 1.073 322 M CA 2.306 57.620 55.300 0.023 0.000 1.124 322 M CB -1.647 30.967 32.600 0.023 0.000 1.326 322 M HN 0.388 nan 8.290 nan 0.000 0.410 323 A N 0.130 122.953 122.820 0.006 0.000 1.986 323 A HA -0.170 4.150 4.320 -0.000 0.000 0.220 323 A C 2.351 179.934 177.584 -0.001 0.000 1.171 323 A CA 1.441 53.478 52.037 0.001 0.000 0.640 323 A CB -0.963 18.034 19.000 -0.005 0.000 0.811 323 A HN 0.485 nan 8.150 nan 0.000 0.451 324 L N -1.066 120.156 121.223 -0.001 0.000 2.027 324 L HA -0.135 4.205 4.340 -0.000 0.000 0.206 324 L C 2.381 179.255 176.870 0.007 0.000 1.074 324 L CA 1.220 56.059 54.840 -0.002 0.000 0.745 324 L CB -0.461 41.598 42.059 -0.001 0.000 0.898 324 L HN 0.387 nan 8.230 nan 0.000 0.433 325 L N -0.891 120.341 121.223 0.016 0.000 2.376 325 L HA -0.108 4.232 4.340 -0.000 0.000 0.219 325 L C 1.583 178.467 176.870 0.022 0.000 1.133 325 L CA 0.740 55.594 54.840 0.024 0.000 0.816 325 L CB -0.273 41.806 42.059 0.032 0.000 0.933 325 L HN 0.234 nan 8.230 nan 0.000 0.449 326 E N 0.282 120.491 120.200 0.016 0.000 2.444 326 E HA 0.133 4.483 4.350 -0.000 0.000 0.191 326 E C 0.963 177.564 176.600 0.002 0.000 1.041 326 E CA -0.330 56.077 56.400 0.013 0.000 0.883 326 E CB 0.432 30.140 29.700 0.014 0.000 1.024 326 E HN 0.381 nan 8.360 nan 0.000 0.470 327 G N 0.978 109.776 108.800 -0.003 0.000 2.507 327 G HA2 0.346 4.306 3.960 -0.000 0.000 0.271 327 G HA3 0.346 4.306 3.960 -0.000 0.000 0.271 327 G C -0.087 174.794 174.900 -0.031 0.000 1.189 327 G CA -0.155 44.932 45.100 -0.020 0.000 0.859 327 G HN 0.084 nan 8.290 nan 0.000 0.542 328 T N -1.493 113.022 114.554 -0.066 0.000 2.916 328 T HA 0.506 4.856 4.350 -0.000 0.000 0.305 328 T C -2.421 172.165 174.700 -0.190 0.000 1.119 328 T CA -1.578 60.455 62.100 -0.112 0.000 1.008 328 T CB 2.468 71.289 68.868 -0.079 0.000 1.129 328 T HN 0.112 nan 8.240 nan 0.000 0.480 329 P HA 0.018 nan 4.420 nan 0.000 0.231 329 P C 0.348 177.524 177.300 -0.207 0.000 1.154 329 P CA 0.873 63.729 63.100 -0.408 0.000 0.762 329 P CB 0.063 31.328 31.700 -0.725 0.000 0.790 330 D N -3.023 117.290 120.400 -0.145 0.000 2.441 330 D HA 0.056 4.696 4.640 -0.000 0.000 0.210 330 D C 0.276 176.539 176.300 -0.061 0.000 1.102 330 D CA 0.484 54.433 54.000 -0.085 0.000 0.840 330 D CB 0.317 41.077 40.800 -0.066 0.000 0.990 330 D HN 0.097 nan 8.370 nan 0.000 0.505 331 T N 3.594 118.107 114.554 -0.068 0.000 2.856 331 T HA 0.325 4.675 4.350 -0.000 0.000 0.292 331 T C -1.884 172.790 174.700 -0.042 0.000 0.980 331 T CA -1.025 61.047 62.100 -0.046 0.000 1.091 331 T CB 2.137 70.980 68.868 -0.042 0.000 0.936 331 T HN 0.017 nan 8.240 nan 0.000 0.503 332 P HA 0.421 nan 4.420 nan 0.000 0.279 332 P C -0.818 176.473 177.300 -0.015 0.000 1.282 332 P CA -0.695 62.395 63.100 -0.017 0.000 0.788 332 P CB 0.499 32.197 31.700 -0.004 0.000 1.139 333 A N -0.198 122.620 122.820 -0.004 0.000 2.520 333 A HA 0.218 4.538 4.320 -0.000 0.000 0.245 333 A C 0.385 177.978 177.584 0.014 0.000 1.072 333 A CA -0.148 51.892 52.037 0.004 0.000 0.761 333 A CB -0.824 18.191 19.000 0.026 0.000 1.004 333 A HN 0.681 nan 8.150 nan 0.000 0.499 334 C N 2.555 121.859 119.300 0.008 0.000 2.435 334 C HA 0.717 5.177 4.460 -0.000 0.000 0.333 334 C C -0.312 174.683 174.990 0.008 0.000 1.202 334 C CA -0.254 58.770 59.018 0.010 0.000 1.830 334 C CB 0.888 28.627 27.740 -0.001 0.000 2.326 334 C HN 0.720 nan 8.230 nan 0.000 0.507 335 V N 6.650 126.570 119.914 0.011 0.000 2.385 335 V HA 0.263 4.383 4.120 -0.000 0.000 0.277 335 V C 0.162 176.244 176.094 -0.020 0.000 1.012 335 V CA -0.363 61.925 62.300 -0.018 0.000 0.832 335 V CB 1.156 32.983 31.823 0.007 0.000 1.028 335 V HN 0.902 nan 8.190 nan 0.000 0.436 336 V N 3.719 123.610 119.914 -0.037 0.000 2.963 336 V HA 0.920 5.040 4.120 -0.000 0.000 0.306 336 V C 0.207 176.277 176.094 -0.039 0.000 1.077 336 V CA 0.594 62.877 62.300 -0.028 0.000 1.124 336 V CB 1.396 33.201 31.823 -0.031 0.000 0.987 336 V HN 1.124 nan 8.190 nan 0.000 0.487 337 S N 3.666 119.357 115.700 -0.016 0.000 2.643 337 S HA 0.591 5.061 4.470 -0.000 0.000 0.266 337 S C -1.198 173.407 174.600 0.008 0.000 1.130 337 S CA -0.871 57.321 58.200 -0.012 0.000 0.817 337 S CB 1.020 64.221 63.200 0.002 0.000 1.107 337 S HN 1.278 nan 8.310 nan 0.000 0.471 338 L N 1.997 123.231 121.223 0.018 0.000 2.357 338 L HA 0.835 5.175 4.340 -0.000 0.000 0.273 338 L C -0.458 176.428 176.870 0.026 0.000 1.080 338 L CA 0.713 55.571 54.840 0.029 0.000 0.803 338 L CB 1.653 43.747 42.059 0.058 0.000 1.174 338 L HN 1.173 nan 8.230 nan 0.000 0.443 339 S N 1.483 117.192 115.700 0.015 0.000 2.590 339 S HA 0.523 4.992 4.470 -0.000 0.000 0.286 339 S C 0.044 174.641 174.600 -0.005 0.000 1.147 339 S CA -0.436 57.770 58.200 0.010 0.000 0.963 339 S CB 0.784 63.994 63.200 0.017 0.000 1.124 339 S HN 1.449 nan 8.310 nan 0.000 0.458 340 G N 2.317 111.111 108.800 -0.009 0.000 2.225 340 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.267 340 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.267 340 G C 0.453 175.308 174.900 -0.075 0.000 1.024 340 G CA 0.749 45.831 45.100 -0.028 0.000 0.784 340 G HN 2.062 nan 8.290 nan 0.000 0.507 341 N N -1.954 116.706 118.700 -0.067 0.000 2.782 341 N HA -0.174 4.566 4.740 -0.000 0.000 0.251 341 N C 0.166 175.595 175.510 -0.136 0.000 1.101 341 N CA 2.272 55.241 53.050 -0.135 0.000 0.764 341 N CB -0.921 37.382 38.487 -0.307 0.000 1.122 341 N HN 1.029 nan 8.380 nan 0.000 0.561 342 Q N -0.589 119.182 119.800 -0.048 0.000 2.389 342 Q HA 0.756 5.096 4.340 -0.000 0.000 0.277 342 Q C -0.520 175.491 176.000 0.018 0.000 1.082 342 Q CA -0.451 55.351 55.803 -0.002 0.000 0.810 342 Q CB 1.752 30.491 28.738 0.001 0.000 1.374 342 Q HN 0.276 nan 8.270 nan 0.000 0.422 343 A N 1.321 124.161 122.820 0.034 0.000 2.483 343 A HA 0.524 4.844 4.320 -0.000 0.000 0.238 343 A C 0.044 177.640 177.584 0.020 0.000 1.070 343 A CA -0.102 51.950 52.037 0.025 0.000 0.770 343 A CB 0.223 19.238 19.000 0.026 0.000 1.008 343 A HN 0.803 nan 8.150 nan 0.000 0.497 344 V N -0.065 119.858 119.914 0.015 0.000 3.048 344 V HA 0.752 4.872 4.120 -0.000 0.000 0.303 344 V C -0.809 175.293 176.094 0.014 0.000 1.214 344 V CA -1.167 61.143 62.300 0.017 0.000 0.984 344 V CB 1.891 33.726 31.823 0.020 0.000 1.054 344 V HN 0.928 nan 8.190 nan 0.000 0.430 345 R N 3.556 124.065 120.500 0.015 0.000 2.295 345 R HA 0.788 5.128 4.340 -0.000 0.000 0.324 345 R C -1.078 175.235 176.300 0.021 0.000 0.968 345 R CA -0.564 55.544 56.100 0.012 0.000 0.837 345 R CB 1.786 32.091 30.300 0.009 0.000 1.133 345 R HN 0.733 nan 8.270 nan 0.000 0.450 346 L N 4.059 125.301 121.223 0.032 0.000 2.333 346 L HA 0.522 4.862 4.340 -0.000 0.000 0.269 346 L C -2.023 174.877 176.870 0.050 0.000 1.010 346 L CA -2.603 52.264 54.840 0.046 0.000 0.818 346 L CB 2.295 44.397 42.059 0.071 0.000 1.306 346 L HN 0.363 nan 8.230 nan 0.000 0.430 347 P HA -0.015 nan 4.420 nan 0.000 0.264 347 P C 0.901 178.244 177.300 0.071 0.000 1.236 347 P CA 0.186 63.313 63.100 0.044 0.000 0.811 347 P CB 0.877 32.596 31.700 0.032 0.000 0.840 348 L N 3.968 125.237 121.223 0.076 0.000 1.976 348 L HA -0.269 4.070 4.340 -0.000 0.000 0.223 348 L C 2.552 179.492 176.870 0.117 0.000 1.081 348 L CA 2.155 57.063 54.840 0.113 0.000 0.784 348 L CB -0.379 41.732 42.059 0.087 0.000 0.896 348 L HN 0.309 nan 8.230 nan 0.000 0.438 349 M N -0.934 118.711 119.600 0.075 0.000 2.110 349 M HA -0.314 4.166 4.480 -0.000 0.000 0.257 349 M C 2.046 178.368 176.300 0.037 0.000 1.071 349 M CA 2.047 57.380 55.300 0.055 0.000 1.096 349 M CB -0.636 31.986 32.600 0.037 0.000 1.300 349 M HN 0.188 nan 8.290 nan 0.000 0.411 350 E N 0.055 120.272 120.200 0.029 0.000 2.086 350 E HA -0.199 4.151 4.350 -0.000 0.000 0.200 350 E C 2.013 178.605 176.600 -0.014 0.000 1.012 350 E CA 1.684 58.089 56.400 0.008 0.000 0.812 350 E CB -0.608 29.099 29.700 0.013 0.000 0.743 350 E HN 0.528 nan 8.360 nan 0.000 0.453 351 C N -0.596 118.716 119.300 0.019 0.000 2.432 351 C HA -0.106 4.354 4.460 -0.000 0.000 0.277 351 C C 2.616 177.475 174.990 -0.218 0.000 1.249 351 C CA 0.780 59.764 59.018 -0.057 0.000 1.725 351 C CB -0.879 26.985 27.740 0.205 0.000 2.028 351 C HN 0.262 nan 8.230 nan 0.000 0.477 352 V N 0.538 120.425 119.914 -0.045 0.000 2.223 352 V HA -0.304 3.816 4.120 -0.000 0.000 0.244 352 V C 2.429 178.467 176.094 -0.094 0.000 1.045 352 V CA 2.227 64.492 62.300 -0.058 0.000 1.000 352 V CB -1.342 30.521 31.823 0.066 0.000 0.635 352 V HN 0.586 nan 8.190 nan 0.000 0.445 353 Q N -0.339 119.432 119.800 -0.048 0.000 2.290 353 Q HA -0.223 4.117 4.340 -0.000 0.000 0.211 353 Q C 2.010 177.965 176.000 -0.076 0.000 0.991 353 Q CA 2.242 58.017 55.803 -0.047 0.000 0.893 353 Q CB -0.058 28.665 28.738 -0.026 0.000 0.913 353 Q HN 0.583 nan 8.270 nan 0.000 0.428 354 V N -1.343 118.504 119.914 -0.113 0.000 2.672 354 V HA -0.105 4.015 4.120 -0.000 0.000 0.242 354 V C 2.148 178.136 176.094 -0.176 0.000 1.059 354 V CA 1.607 63.831 62.300 -0.126 0.000 1.081 354 V CB -0.097 31.652 31.823 -0.123 0.000 0.752 354 V HN 0.351 nan 8.190 nan 0.000 0.472 355 T N -0.490 113.895 114.554 -0.282 0.000 2.996 355 T HA -0.181 4.169 4.350 -0.000 0.000 0.271 355 T C 1.743 176.308 174.700 -0.224 0.000 1.126 355 T CA 1.548 63.440 62.100 -0.347 0.000 1.103 355 T CB -0.160 68.303 68.868 -0.674 0.000 0.870 355 T HN 0.462 nan 8.240 nan 0.000 0.528 356 K N 0.112 120.412 120.400 -0.167 0.000 2.128 356 K HA 0.027 4.346 4.320 -0.000 0.000 0.202 356 K C 2.053 178.596 176.600 -0.095 0.000 1.050 356 K CA 0.907 57.122 56.287 -0.119 0.000 0.966 356 K CB -0.013 32.436 32.500 -0.085 0.000 0.759 356 K HN 0.262 nan 8.250 nan 0.000 0.454 357 D N 1.200 121.548 120.400 -0.088 0.000 2.157 357 D HA -0.191 4.449 4.640 -0.000 0.000 0.191 357 D C 1.914 178.178 176.300 -0.060 0.000 1.004 357 D CA 1.403 55.364 54.000 -0.066 0.000 0.854 357 D CB -0.267 40.495 40.800 -0.063 0.000 0.936 357 D HN -0.047 nan 8.370 nan 0.000 0.446 358 V N 1.143 121.012 119.914 -0.075 0.000 2.469 358 V HA -0.243 3.877 4.120 -0.000 0.000 0.251 358 V C 2.505 178.583 176.094 -0.028 0.000 1.064 358 V CA 1.909 64.176 62.300 -0.056 0.000 1.066 358 V CB -0.918 30.856 31.823 -0.081 0.000 0.667 358 V HN 0.220 nan 8.190 nan 0.000 0.461 359 T N -0.208 114.319 114.554 -0.044 0.000 2.643 359 T HA -0.241 4.109 4.350 -0.000 0.000 0.264 359 T C 1.930 176.641 174.700 0.018 0.000 1.045 359 T CA 1.903 64.000 62.100 -0.005 0.000 1.155 359 T CB -0.211 68.609 68.868 -0.079 0.000 0.863 359 T HN 0.477 nan 8.240 nan 0.000 0.420 360 K N 1.276 121.669 120.400 -0.013 0.000 2.001 360 K HA -0.127 4.193 4.320 -0.000 0.000 0.214 360 K C 2.515 179.098 176.600 -0.029 0.000 1.050 360 K CA 1.508 57.786 56.287 -0.015 0.000 0.934 360 K CB -0.527 31.959 32.500 -0.025 0.000 0.718 360 K HN 0.249 nan 8.250 nan 0.000 0.443 361 A N 0.818 123.617 122.820 -0.035 0.000 2.104 361 A HA -0.243 4.077 4.320 -0.000 0.000 0.223 361 A C 2.042 179.579 177.584 -0.078 0.000 1.164 361 A CA 2.129 54.135 52.037 -0.052 0.000 0.659 361 A CB -0.498 18.481 19.000 -0.034 0.000 0.808 361 A HN 0.604 nan 8.150 nan 0.000 0.465 362 M N -1.706 117.880 119.600 -0.024 0.000 2.534 362 M HA 0.013 4.493 4.480 -0.000 0.000 0.263 362 M C 0.938 177.233 176.300 -0.008 0.000 1.152 362 M CA 0.942 56.255 55.300 0.022 0.000 1.145 362 M CB 0.193 32.882 32.600 0.149 0.000 1.333 362 M HN 0.237 nan 8.290 nan 0.000 0.477 363 D N 1.018 121.420 120.400 0.003 0.000 2.117 363 D HA -0.087 4.553 4.640 -0.000 0.000 0.197 363 D C 0.137 176.401 176.300 -0.060 0.000 0.987 363 D CA 1.144 55.150 54.000 0.010 0.000 0.829 363 D CB -0.227 40.585 40.800 0.020 0.000 0.961 363 D HN 0.359 nan 8.370 nan 0.000 0.460 364 E N 0.557 120.688 120.200 -0.115 0.000 2.338 364 E HA 0.117 4.467 4.350 -0.000 0.000 0.272 364 E C 0.540 176.927 176.600 -0.354 0.000 1.029 364 E CA -0.101 56.205 56.400 -0.157 0.000 0.872 364 E CB 0.768 30.394 29.700 -0.123 0.000 1.015 364 E HN -0.003 nan 8.360 nan 0.000 0.417 365 K N 2.226 122.412 120.400 -0.356 0.000 2.678 365 K HA -0.187 4.133 4.320 -0.000 0.000 0.195 365 K C 0.004 176.075 176.600 -0.882 0.000 1.034 365 K CA 0.639 56.530 56.287 -0.660 0.000 0.946 365 K CB -0.214 32.173 32.500 -0.188 0.000 0.785 365 K HN 0.218 nan 8.250 nan 0.000 0.492 366 R N 0.787 120.926 120.500 -0.602 0.000 4.154 366 R HA 0.041 4.381 4.340 -0.000 0.000 0.186 366 R C 0.236 176.351 176.300 -0.308 0.000 1.750 366 R CA -0.143 55.747 56.100 -0.350 0.000 1.431 366 R CB -0.340 29.854 30.300 -0.176 0.000 1.383 366 R HN 0.225 nan 8.270 nan 0.000 0.788 367 F N 0.082 120.051 119.950 0.031 0.000 2.365 367 F HA -0.147 4.380 4.527 -0.000 0.000 0.300 367 F C 1.752 177.572 175.800 0.034 0.000 1.090 367 F CA 0.613 58.630 58.000 0.028 0.000 1.408 367 F CB 0.117 39.134 39.000 0.027 0.000 1.060 367 F HN 0.259 nan 8.300 nan 0.000 0.534 368 D N 0.386 120.892 120.400 0.176 0.000 2.144 368 D HA -0.174 4.466 4.640 -0.000 0.000 0.200 368 D C 2.007 178.364 176.300 0.094 0.000 0.978 368 D CA 1.253 55.332 54.000 0.131 0.000 0.833 368 D CB -0.294 40.566 40.800 0.100 0.000 0.961 368 D HN 0.283 nan 8.370 nan 0.000 0.470 369 E N 1.444 121.678 120.200 0.056 0.000 2.208 369 E HA -0.050 4.300 4.350 -0.000 0.000 0.193 369 E C 1.756 178.382 176.600 0.043 0.000 0.988 369 E CA 0.972 57.391 56.400 0.033 0.000 0.828 369 E CB -0.132 29.566 29.700 -0.003 0.000 0.763 369 E HN 0.157 nan 8.360 nan 0.000 0.478 370 A N 0.997 123.859 122.820 0.070 0.000 1.821 370 A HA -0.151 4.169 4.320 -0.000 0.000 0.215 370 A C 2.173 179.815 177.584 0.097 0.000 1.216 370 A CA 1.815 53.904 52.037 0.087 0.000 0.615 370 A CB -0.761 18.346 19.000 0.179 0.000 0.862 370 A HN 0.317 nan 8.150 nan 0.000 0.450 371 M N -0.267 119.424 119.600 0.152 0.000 2.327 371 M HA -0.217 4.263 4.480 -0.000 0.000 0.258 371 M C 1.865 178.278 176.300 0.188 0.000 1.079 371 M CA 1.707 57.132 55.300 0.208 0.000 1.056 371 M CB -0.997 31.701 32.600 0.164 0.000 1.387 371 M HN 0.468 nan 8.290 nan 0.000 0.423 372 K N -0.180 120.292 120.400 0.120 0.000 2.029 372 K HA 0.005 4.325 4.320 -0.000 0.000 0.205 372 K C 1.941 178.580 176.600 0.065 0.000 1.042 372 K CA 0.749 57.093 56.287 0.095 0.000 0.949 372 K CB -0.194 32.348 32.500 0.069 0.000 0.740 372 K HN 0.258 nan 8.250 nan 0.000 0.442 373 L N 0.956 122.199 121.223 0.032 0.000 2.189 373 L HA -0.234 4.106 4.340 -0.000 0.000 0.214 373 L C 2.557 179.412 176.870 -0.024 0.000 1.097 373 L CA 1.021 55.858 54.840 -0.005 0.000 0.764 373 L CB -0.332 41.711 42.059 -0.026 0.000 0.900 373 L HN 0.141 nan 8.230 nan 0.000 0.436 374 R N 0.259 120.750 120.500 -0.015 0.000 2.052 374 R HA 0.097 4.437 4.340 -0.000 0.000 0.224 374 R C 1.417 177.754 176.300 0.061 0.000 1.149 374 R CA 0.882 56.932 56.100 -0.083 0.000 0.962 374 R CB -0.854 29.302 30.300 -0.240 0.000 0.856 374 R HN 0.270 nan 8.270 nan 0.000 0.433 375 G N 0.840 109.755 108.800 0.192 0.000 2.463 375 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.859 375 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.859 375 G C -0.469 174.555 174.900 0.207 0.000 1.376 375 G CA 0.762 45.992 45.100 0.216 0.000 0.889 375 G HN 0.574 nan 8.290 nan 0.000 0.511 376 R N -2.753 117.837 120.500 0.149 0.000 4.030 376 R HA -0.288 4.051 4.340 -0.000 0.000 0.294 376 R C 2.588 178.975 176.300 0.145 0.000 0.243 376 R CA 2.905 59.080 56.100 0.126 0.000 1.002 376 R CB -2.347 28.018 30.300 0.107 0.000 1.009 376 R HN 1.586 nan 8.270 nan 0.000 0.555 377 S N 1.008 116.801 115.700 0.156 0.000 2.348 377 S HA -0.131 4.339 4.470 -0.000 0.000 0.221 377 S C 1.862 176.586 174.600 0.207 0.000 1.033 377 S CA 1.669 59.966 58.200 0.161 0.000 1.010 377 S CB -0.651 62.645 63.200 0.160 0.000 0.891 377 S HN 0.402 nan 8.310 nan 0.000 0.442 378 F N 2.423 122.445 119.950 0.121 0.000 2.037 378 F HA -0.265 4.262 4.527 -0.000 0.000 0.296 378 F C 2.537 178.432 175.800 0.159 0.000 1.132 378 F CA 2.049 60.135 58.000 0.143 0.000 1.211 378 F CB -0.828 38.233 39.000 0.101 0.000 0.951 378 F HN 0.183 nan 8.300 nan 0.000 0.503 379 M N -0.019 119.616 119.600 0.060 0.000 2.143 379 M HA -0.324 4.156 4.480 -0.000 0.000 0.258 379 M C 1.981 178.316 176.300 0.057 0.000 1.071 379 M CA 2.328 57.637 55.300 0.016 0.000 1.088 379 M CB -0.501 32.179 32.600 0.133 0.000 1.360 379 M HN 0.407 nan 8.290 nan 0.000 0.404 380 N N 0.397 119.139 118.700 0.070 0.000 2.080 380 N HA -0.163 4.577 4.740 -0.000 0.000 0.189 380 N C 1.240 176.779 175.510 0.048 0.000 1.036 380 N CA 1.801 54.889 53.050 0.063 0.000 0.846 380 N CB -0.197 38.335 38.487 0.075 0.000 1.015 380 N HN 0.336 nan 8.380 nan 0.000 0.423 381 N N 0.182 118.912 118.700 0.050 0.000 2.060 381 N HA -0.243 4.497 4.740 -0.000 0.000 0.195 381 N C 1.511 177.078 175.510 0.095 0.000 1.028 381 N CA 1.109 54.192 53.050 0.054 0.000 0.861 381 N CB -0.718 37.797 38.487 0.046 0.000 1.029 381 N HN 0.507 nan 8.380 nan 0.000 0.428 382 W N 2.255 123.426 121.300 -0.216 0.000 2.311 382 W HA -0.233 4.427 4.660 -0.000 0.000 0.326 382 W C 1.846 178.324 176.519 -0.068 0.000 1.239 382 W CA 1.138 58.365 57.345 -0.196 0.000 1.258 382 W CB 0.031 29.280 29.460 -0.352 0.000 1.165 382 W HN 0.057 nan 8.180 nan 0.000 0.466 383 E N 0.285 120.441 120.200 -0.073 0.000 2.049 383 E HA -0.242 4.107 4.350 -0.000 0.000 0.198 383 E C 2.003 178.496 176.600 -0.177 0.000 1.007 383 E CA 2.084 58.376 56.400 -0.180 0.000 0.809 383 E CB -1.100 28.571 29.700 -0.049 0.000 0.749 383 E HN 0.287 nan 8.360 nan 0.000 0.450 384 V N 1.108 120.971 119.914 -0.085 0.000 2.427 384 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 384 V C 2.252 178.279 176.094 -0.112 0.000 1.051 384 V CA 1.786 64.037 62.300 -0.080 0.000 1.048 384 V CB -0.896 30.909 31.823 -0.030 0.000 0.666 384 V HN 0.189 nan 8.190 nan 0.000 0.456 385 Y N 2.038 122.234 120.300 -0.174 0.000 2.070 385 Y HA -0.301 4.249 4.550 -0.000 0.000 0.280 385 Y C 2.478 178.235 175.900 -0.238 0.000 1.148 385 Y CA 2.018 60.004 58.100 -0.190 0.000 1.125 385 Y CB -0.611 37.737 38.460 -0.187 0.000 0.975 385 Y HN 0.149 nan 8.280 nan 0.000 0.492 386 K N 0.254 120.129 120.400 -0.875 0.000 2.044 386 K HA -0.206 4.114 4.320 -0.000 0.000 0.210 386 K C 2.220 178.649 176.600 -0.285 0.000 1.049 386 K CA 2.054 57.839 56.287 -0.836 0.000 0.927 386 K CB -0.583 31.471 32.500 -0.744 0.000 0.713 386 K HN 0.357 nan 8.250 nan 0.000 0.443 387 L N 0.594 121.703 121.223 -0.190 0.000 1.989 387 L HA -0.234 4.106 4.340 -0.000 0.000 0.211 387 L C 2.267 179.131 176.870 -0.011 0.000 1.071 387 L CA 1.380 56.136 54.840 -0.139 0.000 0.749 387 L CB -0.324 41.625 42.059 -0.183 0.000 0.890 387 L HN 0.183 nan 8.230 nan 0.000 0.431 388 L N -1.049 120.110 121.223 -0.106 0.000 2.201 388 L HA -0.153 4.187 4.340 -0.000 0.000 0.212 388 L C 2.650 179.494 176.870 -0.044 0.000 1.105 388 L CA 0.876 55.642 54.840 -0.124 0.000 0.775 388 L CB -0.624 41.325 42.059 -0.182 0.000 0.913 388 L HN 0.247 nan 8.230 nan 0.000 0.440 389 A N -1.511 121.202 122.820 -0.178 0.000 2.066 389 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 389 A C 0.742 178.335 177.584 0.014 0.000 1.157 389 A CA 0.372 52.276 52.037 -0.222 0.000 0.670 389 A CB -0.691 17.848 19.000 -0.768 0.000 0.804 389 A HN 0.326 nan 8.150 nan 0.000 0.453 390 H N -0.789 118.270 119.070 -0.018 0.000 3.077 390 H HA 0.066 4.622 4.556 -0.000 0.000 0.361 390 H C 1.327 176.707 175.328 0.086 0.000 1.195 390 H CA 1.299 57.352 56.048 0.007 0.000 1.389 390 H CB 0.253 29.983 29.762 -0.054 0.000 1.323 390 H HN 0.332 nan 8.280 nan 0.000 0.606 391 I N -1.366 119.223 120.570 0.031 0.000 3.172 391 I HA 0.147 4.317 4.170 -0.000 0.000 0.278 391 I C 1.859 177.799 176.117 -0.296 0.000 1.174 391 I CA 0.234 61.526 61.300 -0.014 0.000 1.445 391 I CB -0.569 37.426 38.000 -0.009 0.000 1.175 391 I HN 0.317 nan 8.210 nan 0.000 0.447 392 R N 2.153 122.434 120.500 -0.365 0.000 1.541 392 R HA -0.153 4.187 4.340 -0.000 0.000 0.112 392 R C -1.438 174.368 176.300 -0.823 0.000 0.423 392 R CA 1.581 57.381 56.100 -0.501 0.000 1.929 392 R CB -2.328 27.728 30.300 -0.407 0.000 0.450 392 R HN 0.335 nan 8.270 nan 0.000 0.751 393 P HA 0.322 nan 4.420 nan 0.000 0.314 393 P C -2.503 174.578 177.300 -0.365 0.000 1.306 393 P CA -1.250 61.375 63.100 -0.793 0.000 0.782 393 P CB -0.284 30.893 31.700 -0.872 0.000 1.337 394 P HA 0.108 nan 4.420 nan 0.000 0.271 394 P C -0.535 176.695 177.300 -0.117 0.000 1.238 394 P CA 0.168 63.176 63.100 -0.153 0.000 0.794 394 P CB -0.160 31.464 31.700 -0.126 0.000 0.959 395 A N 2.433 125.199 122.820 -0.090 0.000 2.362 395 A HA 0.394 4.714 4.320 -0.000 0.000 0.276 395 A C -1.952 175.596 177.584 -0.059 0.000 1.153 395 A CA -1.107 50.890 52.037 -0.067 0.000 0.813 395 A CB -0.748 18.218 19.000 -0.057 0.000 1.081 395 A HN 0.398 nan 8.150 nan 0.000 0.507 396 P HA 0.286 nan 4.420 nan 0.000 0.281 396 P C -0.345 176.935 177.300 -0.034 0.000 1.286 396 P CA -0.209 62.868 63.100 -0.037 0.000 0.772 396 P CB 1.223 32.910 31.700 -0.021 0.000 0.862 397 K N 1.794 122.168 120.400 -0.044 0.000 2.959 397 K HA 0.343 4.663 4.320 -0.000 0.000 0.336 397 K C 1.613 178.197 176.600 -0.027 0.000 0.984 397 K CA 0.125 56.388 56.287 -0.040 0.000 1.325 397 K CB -0.486 31.980 32.500 -0.055 0.000 1.390 397 K HN 0.239 nan 8.250 nan 0.000 0.615 398 S N -1.554 114.131 115.700 -0.026 0.000 2.931 398 S HA 0.147 4.617 4.470 -0.000 0.000 0.251 398 S C 1.347 175.946 174.600 -0.001 0.000 1.078 398 S CA 0.225 58.421 58.200 -0.006 0.000 0.835 398 S CB 0.479 63.679 63.200 0.001 0.000 0.798 398 S HN 0.607 nan 8.310 nan 0.000 0.495 399 G N 3.158 111.944 108.800 -0.023 0.000 3.135 399 G HA2 0.093 4.053 3.960 -0.000 0.000 0.208 399 G HA3 0.093 4.053 3.960 -0.000 0.000 0.208 399 G C 0.205 175.062 174.900 -0.071 0.000 1.212 399 G CA 0.086 45.171 45.100 -0.025 0.000 0.928 399 G HN 0.494 nan 8.290 nan 0.000 0.500 400 S N -0.167 115.501 115.700 -0.053 0.000 2.523 400 S HA 0.412 4.882 4.470 -0.000 0.000 0.275 400 S C -0.152 174.487 174.600 0.066 0.000 1.281 400 S CA -0.904 57.240 58.200 -0.093 0.000 1.050 400 S CB 0.726 63.887 63.200 -0.065 0.000 0.937 400 S HN 0.299 nan 8.310 nan 0.000 0.492 401 Y N 1.760 122.050 120.300 -0.017 0.000 2.511 401 Y HA 0.239 4.789 4.550 -0.000 0.000 0.332 401 Y C 1.553 177.460 175.900 0.011 0.000 1.177 401 Y CA -0.472 57.631 58.100 0.005 0.000 1.422 401 Y CB 0.701 39.156 38.460 -0.009 0.000 1.271 401 Y HN 0.747 nan 8.280 nan 0.000 0.550 402 T N 2.377 117.045 114.554 0.190 0.000 2.758 402 T HA 0.570 4.920 4.350 -0.000 0.000 0.285 402 T C -0.705 174.048 174.700 0.088 0.000 0.981 402 T CA -0.663 61.504 62.100 0.112 0.000 0.965 402 T CB 0.358 69.281 68.868 0.093 0.000 0.927 402 T HN 0.358 nan 8.240 nan 0.000 0.448 403 V N 3.221 123.173 119.914 0.064 0.000 2.834 403 V HA 0.904 5.024 4.120 -0.000 0.000 0.313 403 V C 0.459 176.559 176.094 0.010 0.000 1.060 403 V CA -0.983 61.346 62.300 0.049 0.000 0.989 403 V CB 1.593 33.449 31.823 0.055 0.000 1.041 403 V HN 1.219 nan 8.190 nan 0.000 0.459 404 A N 2.080 124.905 122.820 0.009 0.000 2.374 404 A HA 0.819 5.139 4.320 -0.000 0.000 0.305 404 A C -0.989 176.576 177.584 -0.032 0.000 1.053 404 A CA -0.567 51.449 52.037 -0.036 0.000 0.726 404 A CB 1.865 20.841 19.000 -0.039 0.000 1.229 404 A HN 1.173 nan 8.150 nan 0.000 0.431 405 V N 4.272 124.142 119.914 -0.074 0.000 2.680 405 V HA 0.949 5.069 4.120 -0.000 0.000 0.309 405 V C -0.565 175.464 176.094 -0.108 0.000 1.052 405 V CA -0.576 61.681 62.300 -0.072 0.000 0.908 405 V CB 1.568 33.352 31.823 -0.066 0.000 1.001 405 V HN 1.329 nan 8.190 nan 0.000 0.431 406 M N 4.074 123.605 119.600 -0.115 0.000 2.682 406 M HA 0.676 5.156 4.480 -0.000 0.000 0.272 406 M C -1.951 174.259 176.300 -0.150 0.000 1.232 406 M CA -0.776 54.434 55.300 -0.151 0.000 0.849 406 M CB 2.302 34.770 32.600 -0.219 0.000 1.695 406 M HN 0.463 nan 8.290 nan 0.000 0.481 407 N N 0.721 119.336 118.700 -0.142 0.000 2.361 407 N HA 0.814 5.554 4.740 -0.000 0.000 0.302 407 N C -1.683 173.725 175.510 -0.169 0.000 1.074 407 N CA -0.401 52.577 53.050 -0.119 0.000 0.850 407 N CB 2.563 41.013 38.487 -0.061 0.000 1.228 407 N HN 0.554 nan 8.380 nan 0.000 0.491 408 V N 0.323 120.147 119.914 -0.150 0.000 2.777 408 V HA 0.842 4.962 4.120 -0.000 0.000 0.306 408 V C 0.388 176.455 176.094 -0.045 0.000 1.112 408 V CA -0.266 61.946 62.300 -0.145 0.000 0.917 408 V CB 1.283 32.949 31.823 -0.261 0.000 1.018 408 V HN 0.972 nan 8.190 nan 0.000 0.426 409 G N 3.454 112.249 108.800 -0.007 0.000 2.409 409 G HA2 0.443 4.403 3.960 -0.000 0.000 0.421 409 G HA3 0.443 4.403 3.960 -0.000 0.000 0.421 409 G C -0.210 174.699 174.900 0.015 0.000 1.259 409 G CA 0.047 45.164 45.100 0.029 0.000 1.011 409 G HN 1.713 nan 8.290 nan 0.000 0.497 410 A N 1.247 124.080 122.820 0.023 0.000 2.351 410 A HA 0.783 5.103 4.320 -0.000 0.000 0.257 410 A C -1.259 176.331 177.584 0.010 0.000 1.087 410 A CA -0.297 51.745 52.037 0.008 0.000 0.798 410 A CB -0.049 18.953 19.000 0.004 0.000 1.033 410 A HN 0.789 nan 8.150 nan 0.000 0.488 411 P HA 0.420 nan 4.420 nan 0.000 0.272 411 P C -0.545 176.763 177.300 0.014 0.000 1.230 411 P CA 0.147 63.246 63.100 -0.001 0.000 0.788 411 P CB 0.983 32.675 31.700 -0.013 0.000 0.949 412 A N 0.619 123.446 122.820 0.010 0.000 2.572 412 A HA 0.646 4.966 4.320 -0.000 0.000 0.295 412 A C -0.777 176.819 177.584 0.020 0.000 1.072 412 A CA -0.693 51.361 52.037 0.028 0.000 0.691 412 A CB 1.318 20.343 19.000 0.041 0.000 1.291 412 A HN 0.483 nan 8.150 nan 0.000 0.404 413 A N 0.381 123.223 122.820 0.037 0.000 2.475 413 A HA 0.545 4.865 4.320 -0.000 0.000 0.293 413 A C 1.240 178.843 177.584 0.033 0.000 1.252 413 A CA 0.877 52.932 52.037 0.029 0.000 0.920 413 A CB -1.062 17.966 19.000 0.047 0.000 1.125 413 A HN 2.685 nan 8.150 nan 0.000 0.528 414 G N 1.795 110.600 108.800 0.010 0.000 2.813 414 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.194 414 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.194 414 G C 1.133 176.028 174.900 -0.008 0.000 1.010 414 G CA 0.273 45.373 45.100 0.000 0.000 0.771 414 G HN 0.463 nan 8.290 nan 0.000 0.485 415 M N 1.080 120.676 119.600 -0.006 0.000 2.073 415 M HA -0.110 4.370 4.480 -0.000 0.000 0.258 415 M C 2.281 178.608 176.300 0.045 0.000 1.070 415 M CA 2.068 57.368 55.300 -0.001 0.000 1.103 415 M CB -0.670 31.924 32.600 -0.010 0.000 1.321 415 M HN 0.255 nan 8.290 nan 0.000 0.405 416 N N 0.612 119.343 118.700 0.052 0.000 2.289 416 N HA -0.073 4.667 4.740 -0.000 0.000 0.184 416 N C 1.671 177.332 175.510 0.252 0.000 1.016 416 N CA 1.517 54.686 53.050 0.199 0.000 0.872 416 N CB -0.293 38.190 38.487 -0.007 0.000 0.973 416 N HN 0.385 nan 8.380 nan 0.000 0.433 417 A N 0.853 123.734 122.820 0.101 0.000 1.970 417 A HA 0.210 4.530 4.320 -0.000 0.000 0.216 417 A C 2.355 179.940 177.584 0.003 0.000 1.170 417 A CA 1.340 53.408 52.037 0.052 0.000 0.645 417 A CB -0.325 18.677 19.000 0.003 0.000 0.816 417 A HN 0.305 nan 8.150 nan 0.000 0.447 418 A N -0.486 122.328 122.820 -0.009 0.000 1.874 418 A HA 0.100 4.420 4.320 -0.000 0.000 0.214 418 A C 2.093 179.657 177.584 -0.033 0.000 1.189 418 A CA 1.407 53.413 52.037 -0.053 0.000 0.615 418 A CB -0.885 18.066 19.000 -0.080 0.000 0.830 418 A HN 0.360 nan 8.150 nan 0.000 0.443 419 V N 0.517 120.448 119.914 0.028 0.000 2.568 419 V HA -0.270 3.850 4.120 -0.000 0.000 0.253 419 V C 2.606 178.657 176.094 -0.073 0.000 1.072 419 V CA 2.327 64.642 62.300 0.025 0.000 1.084 419 V CB -0.943 30.988 31.823 0.181 0.000 0.676 419 V HN 0.685 nan 8.190 nan 0.000 0.469 420 R N 0.799 121.256 120.500 -0.071 0.000 2.093 420 R HA -0.118 4.222 4.340 -0.000 0.000 0.224 420 R C 2.450 178.601 176.300 -0.248 0.000 1.101 420 R CA 1.657 57.621 56.100 -0.228 0.000 0.979 420 R CB -0.197 29.998 30.300 -0.174 0.000 0.877 420 R HN 0.658 nan 8.270 nan 0.000 0.441 421 S N -0.837 114.760 115.700 -0.171 0.000 2.425 421 S HA -0.028 4.442 4.470 -0.000 0.000 0.225 421 S C 1.829 176.340 174.600 -0.149 0.000 1.024 421 S CA 1.071 59.165 58.200 -0.177 0.000 0.951 421 S CB -0.155 62.970 63.200 -0.126 0.000 0.796 421 S HN 0.256 nan 8.310 nan 0.000 0.498 422 T N 3.045 117.530 114.554 -0.116 0.000 2.652 422 T HA -0.088 4.262 4.350 -0.000 0.000 0.267 422 T C 1.936 176.574 174.700 -0.103 0.000 1.039 422 T CA 1.813 63.865 62.100 -0.081 0.000 1.153 422 T CB -0.657 68.175 68.868 -0.060 0.000 0.863 422 T HN 0.309 nan 8.240 nan 0.000 0.428 423 V N 1.540 121.361 119.914 -0.154 0.000 2.307 423 V HA -0.134 3.986 4.120 -0.000 0.000 0.245 423 V C 2.742 178.718 176.094 -0.196 0.000 1.045 423 V CA 1.404 63.601 62.300 -0.172 0.000 1.024 423 V CB -0.548 31.137 31.823 -0.230 0.000 0.651 423 V HN 0.281 nan 8.190 nan 0.000 0.449 424 R N 0.099 120.393 120.500 -0.344 0.000 2.075 424 R HA -0.059 4.281 4.340 -0.000 0.000 0.230 424 R C 2.272 178.481 176.300 -0.151 0.000 1.140 424 R CA 1.506 57.296 56.100 -0.515 0.000 0.928 424 R CB -1.001 28.793 30.300 -0.843 0.000 0.834 424 R HN 0.352 nan 8.270 nan 0.000 0.429 425 I N 0.518 121.008 120.570 -0.133 0.000 2.248 425 I HA -0.199 3.971 4.170 -0.000 0.000 0.248 425 I C 2.366 178.478 176.117 -0.009 0.000 1.107 425 I CA 1.644 62.915 61.300 -0.048 0.000 1.373 425 I CB -1.717 36.252 38.000 -0.051 0.000 1.055 425 I HN 0.261 nan 8.210 nan 0.000 0.418 426 G N 1.171 109.961 108.800 -0.018 0.000 2.552 426 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.216 426 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.216 426 G C 1.767 176.682 174.900 0.024 0.000 1.240 426 G CA 0.479 45.581 45.100 0.002 0.000 0.796 426 G HN 0.338 nan 8.290 nan 0.000 0.568 427 L N 0.176 121.435 121.223 0.060 0.000 2.270 427 L HA -0.081 4.259 4.340 -0.000 0.000 0.217 427 L C 2.626 179.565 176.870 0.114 0.000 1.107 427 L CA 0.597 55.510 54.840 0.123 0.000 0.772 427 L CB -0.170 42.060 42.059 0.285 0.000 0.902 427 L HN 0.246 nan 8.230 nan 0.000 0.439 428 I N -1.091 119.555 120.570 0.126 0.000 3.419 428 I HA -0.156 4.014 4.170 -0.000 0.000 0.286 428 I C 1.843 177.934 176.117 -0.044 0.000 1.268 428 I CA 0.567 61.882 61.300 0.026 0.000 1.414 428 I CB 0.143 38.163 38.000 0.033 0.000 1.074 428 I HN 0.372 nan 8.210 nan 0.000 0.457 429 Q N 0.068 119.849 119.800 -0.031 0.000 2.425 429 Q HA 0.114 4.454 4.340 -0.000 0.000 0.204 429 Q C 1.378 177.329 176.000 -0.081 0.000 0.933 429 Q CA 0.644 56.411 55.803 -0.059 0.000 0.939 429 Q CB 0.583 29.293 28.738 -0.047 0.000 1.044 429 Q HN 0.565 nan 8.270 nan 0.000 0.513 430 G N 1.142 109.904 108.800 -0.064 0.000 2.141 430 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.242 430 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.242 430 G C -0.045 174.810 174.900 -0.075 0.000 0.982 430 G CA -0.140 44.914 45.100 -0.076 0.000 0.662 430 G HN 0.211 nan 8.290 nan 0.000 0.527 431 N N -0.287 118.381 118.700 -0.053 0.000 2.447 431 N HA 0.512 5.252 4.740 -0.000 0.000 0.271 431 N C 0.354 175.863 175.510 -0.001 0.000 1.226 431 N CA -0.409 52.623 53.050 -0.031 0.000 0.980 431 N CB 0.751 39.238 38.487 -0.001 0.000 1.206 431 N HN 0.345 nan 8.380 nan 0.000 0.558 432 R N -0.028 120.483 120.500 0.020 0.000 2.486 432 R HA 0.549 4.889 4.340 -0.000 0.000 0.286 432 R C -1.144 175.160 176.300 0.008 0.000 0.999 432 R CA -0.575 55.535 56.100 0.016 0.000 0.993 432 R CB 0.891 31.209 30.300 0.030 0.000 1.084 432 R HN 0.232 nan 8.270 nan 0.000 0.487 433 V N 5.257 125.158 119.914 -0.023 0.000 2.525 433 V HA 0.323 4.443 4.120 -0.000 0.000 0.299 433 V C -0.881 175.149 176.094 -0.107 0.000 1.034 433 V CA -0.798 61.468 62.300 -0.056 0.000 0.863 433 V CB 1.622 33.399 31.823 -0.075 0.000 0.999 433 V HN 0.556 nan 8.190 nan 0.000 0.423 434 L N 4.969 126.124 121.223 -0.113 0.000 2.352 434 L HA 0.672 5.012 4.340 -0.000 0.000 0.269 434 L C -0.110 176.622 176.870 -0.230 0.000 1.034 434 L CA -0.240 54.495 54.840 -0.175 0.000 0.806 434 L CB 1.953 43.917 42.059 -0.159 0.000 1.244 434 L HN 0.391 nan 8.230 nan 0.000 0.447 435 V N 2.548 122.270 119.914 -0.320 0.000 2.487 435 V HA 0.492 4.612 4.120 -0.000 0.000 0.298 435 V C -0.653 175.208 176.094 -0.389 0.000 1.028 435 V CA -0.727 61.357 62.300 -0.360 0.000 0.860 435 V CB 2.256 33.763 31.823 -0.527 0.000 0.991 435 V HN 0.405 nan 8.190 nan 0.000 0.427 436 V N 5.171 124.892 119.914 -0.322 0.000 2.370 436 V HA 0.396 4.516 4.120 -0.000 0.000 0.283 436 V C -0.417 175.515 176.094 -0.271 0.000 1.023 436 V CA -0.661 61.474 62.300 -0.275 0.000 0.857 436 V CB 1.406 33.124 31.823 -0.175 0.000 0.985 436 V HN 0.899 nan 8.190 nan 0.000 0.443 437 H N 4.419 123.466 119.070 -0.038 0.000 2.668 437 H HA 0.358 4.914 4.556 -0.000 0.000 0.303 437 H C -0.246 175.068 175.328 -0.022 0.000 1.074 437 H CA -0.120 55.923 56.048 -0.008 0.000 1.406 437 H CB 0.341 30.111 29.762 0.015 0.000 1.442 437 H HN 0.707 nan 8.280 nan 0.000 0.482 438 D N 3.073 123.519 120.400 0.076 0.000 2.823 438 D HA -0.145 4.495 4.640 -0.000 0.000 0.248 438 D C 1.290 177.574 176.300 -0.027 0.000 1.076 438 D CA 1.065 55.081 54.000 0.027 0.000 0.760 438 D CB -1.174 39.656 40.800 0.050 0.000 1.065 438 D HN 1.009 nan 8.370 nan 0.000 0.432 439 G N 0.309 109.045 108.800 -0.106 0.000 2.684 439 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.342 439 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.342 439 G C 1.026 175.781 174.900 -0.242 0.000 1.316 439 G CA 0.768 45.715 45.100 -0.256 0.000 0.994 439 G HN 0.409 nan 8.290 nan 0.000 0.541 440 F N 1.403 121.344 119.950 -0.016 0.000 2.604 440 F HA 0.146 4.673 4.527 -0.000 0.000 0.298 440 F C 2.676 178.470 175.800 -0.009 0.000 1.131 440 F CA 1.237 59.227 58.000 -0.017 0.000 1.457 440 F CB 0.097 39.079 39.000 -0.031 0.000 1.095 440 F HN 0.409 nan 8.300 nan 0.000 0.574 441 E N 0.104 120.385 120.200 0.134 0.000 2.511 441 E HA -0.039 4.311 4.350 -0.000 0.000 0.196 441 E C 2.261 178.908 176.600 0.078 0.000 1.066 441 E CA 0.309 56.764 56.400 0.092 0.000 0.871 441 E CB -0.075 29.662 29.700 0.062 0.000 0.863 441 E HN 0.486 nan 8.360 nan 0.000 0.520 442 G N 2.256 111.095 108.800 0.064 0.000 2.607 442 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.215 442 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.215 442 G C -0.917 174.010 174.900 0.046 0.000 1.275 442 G CA 0.137 45.258 45.100 0.035 0.000 0.842 442 G HN 0.129 nan 8.290 nan 0.000 0.555 443 P HA -0.018 nan 4.420 nan 0.000 0.219 443 P C 1.853 179.221 177.300 0.112 0.000 1.146 443 P CA 1.782 64.930 63.100 0.080 0.000 0.808 443 P CB -0.009 31.765 31.700 0.122 0.000 0.779 444 A N 0.367 123.256 122.820 0.114 0.000 1.826 444 A HA -0.162 4.158 4.320 -0.000 0.000 0.214 444 A C 2.070 179.711 177.584 0.095 0.000 1.212 444 A CA 1.508 53.604 52.037 0.099 0.000 0.605 444 A CB -1.109 17.941 19.000 0.083 0.000 0.861 444 A HN 0.055 nan 8.150 nan 0.000 0.447 445 K N -1.429 119.021 120.400 0.083 0.000 2.360 445 K HA 0.017 4.337 4.320 -0.000 0.000 0.201 445 K C 1.105 177.768 176.600 0.105 0.000 1.046 445 K CA 0.709 57.044 56.287 0.080 0.000 0.940 445 K CB -0.230 32.310 32.500 0.066 0.000 0.748 445 K HN 0.853 nan 8.250 nan 0.000 0.465 446 G N 1.031 109.903 108.800 0.120 0.000 2.176 446 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.232 446 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.232 446 G C -0.324 174.638 174.900 0.102 0.000 0.986 446 G CA -0.267 44.940 45.100 0.178 0.000 0.643 446 G HN 0.314 nan 8.290 nan 0.000 0.522 447 Q N 0.249 120.088 119.800 0.066 0.000 2.489 447 Q HA 0.587 4.927 4.340 -0.000 0.000 0.231 447 Q C 0.192 176.196 176.000 0.007 0.000 1.273 447 Q CA 0.682 56.534 55.803 0.081 0.000 0.898 447 Q CB 0.040 28.855 28.738 0.129 0.000 1.545 447 Q HN 0.601 nan 8.270 nan 0.000 0.538 448 I N 1.184 121.658 120.570 -0.161 0.000 2.569 448 I HA 0.358 4.528 4.170 -0.000 0.000 0.290 448 I C -0.170 175.763 176.117 -0.306 0.000 1.088 448 I CA -0.602 60.458 61.300 -0.399 0.000 1.047 448 I CB 2.241 39.649 38.000 -0.987 0.000 1.237 448 I HN 0.355 nan 8.210 nan 0.000 0.421 449 E N 3.400 123.459 120.200 -0.235 0.000 2.378 449 E HA 0.415 4.765 4.350 -0.000 0.000 0.265 449 E C -1.311 175.161 176.600 -0.214 0.000 0.932 449 E CA -0.963 55.351 56.400 -0.145 0.000 0.795 449 E CB 2.687 32.347 29.700 -0.067 0.000 1.296 449 E HN 0.473 nan 8.360 nan 0.000 0.438 450 E N 0.561 120.676 120.200 -0.142 0.000 2.174 450 E HA 0.445 4.795 4.350 -0.000 0.000 0.282 450 E C -1.463 174.997 176.600 -0.234 0.000 0.992 450 E CA -0.494 55.823 56.400 -0.138 0.000 0.803 450 E CB 1.126 30.804 29.700 -0.038 0.000 1.090 450 E HN 0.474 nan 8.360 nan 0.000 0.396 451 A N 3.814 126.454 122.820 -0.299 0.000 2.249 451 A HA 0.589 4.909 4.320 -0.000 0.000 0.314 451 A C 0.271 177.779 177.584 -0.126 0.000 1.290 451 A CA -0.146 51.659 52.037 -0.386 0.000 0.893 451 A CB 0.995 19.678 19.000 -0.527 0.000 1.165 451 A HN 0.678 nan 8.150 nan 0.000 0.530 452 G N 0.376 109.172 108.800 -0.007 0.000 2.547 452 G HA2 0.325 4.285 3.960 -0.000 0.000 0.291 452 G HA3 0.325 4.285 3.960 -0.000 0.000 0.291 452 G C 0.788 175.764 174.900 0.127 0.000 1.211 452 G CA -0.552 44.597 45.100 0.082 0.000 0.950 452 G HN 0.888 nan 8.290 nan 0.000 0.504 453 W N 0.358 121.633 121.300 -0.042 0.000 2.313 453 W HA -0.247 4.413 4.660 -0.000 0.000 0.293 453 W C 2.331 178.812 176.519 -0.064 0.000 1.216 453 W CA 2.347 59.656 57.345 -0.060 0.000 1.223 453 W CB -0.228 29.204 29.460 -0.048 0.000 1.138 453 W HN 0.569 nan 8.180 nan 0.000 0.535 454 S N -1.421 114.378 115.700 0.165 0.000 2.446 454 S HA -0.221 4.249 4.470 -0.000 0.000 0.225 454 S C 1.704 176.268 174.600 -0.061 0.000 1.016 454 S CA 0.784 59.014 58.200 0.051 0.000 0.943 454 S CB -1.275 61.986 63.200 0.102 0.000 0.786 454 S HN 0.327 nan 8.310 nan 0.000 0.508 455 Y N 3.179 123.386 120.300 -0.155 0.000 2.096 455 Y HA -0.263 4.287 4.550 -0.000 0.000 0.278 455 Y C 2.240 177.801 175.900 -0.564 0.000 1.192 455 Y CA 2.364 60.332 58.100 -0.220 0.000 1.143 455 Y CB -0.371 37.968 38.460 -0.202 0.000 0.963 455 Y HN 0.309 nan 8.280 nan 0.000 0.505 456 V N -1.412 118.100 119.914 -0.671 0.000 3.623 456 V HA 0.303 4.423 4.120 -0.000 0.000 0.271 456 V C 1.299 176.805 176.094 -0.981 0.000 1.248 456 V CA 0.236 61.697 62.300 -1.399 0.000 1.156 456 V CB -1.450 29.812 31.823 -0.936 0.000 0.870 456 V HN 0.377 nan 8.190 nan 0.000 0.453 457 G N 1.325 109.843 108.800 -0.470 0.000 2.093 457 G HA2 0.334 4.294 3.960 -0.000 0.000 0.250 457 G HA3 0.334 4.294 3.960 -0.000 0.000 0.250 457 G C 0.949 175.861 174.900 0.020 0.000 1.056 457 G CA 0.425 45.420 45.100 -0.174 0.000 0.916 457 G HN 1.798 nan 8.290 nan 0.000 0.421 458 G N 1.857 110.685 108.800 0.046 0.000 2.296 458 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.263 458 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.263 458 G C 0.435 175.539 174.900 0.340 0.000 0.887 458 G CA 0.614 45.800 45.100 0.145 0.000 1.318 458 G HN 0.780 nan 8.290 nan 0.000 0.403 459 W N -0.540 120.721 121.300 -0.064 0.000 3.336 459 W HA 0.163 4.823 4.660 -0.000 0.000 0.221 459 W C 2.387 178.872 176.519 -0.056 0.000 1.086 459 W CA 0.653 57.961 57.345 -0.061 0.000 1.457 459 W CB -0.778 28.640 29.460 -0.070 0.000 0.756 459 W HN 0.596 nan 8.180 nan 0.000 0.783 460 T N -0.544 114.122 114.554 0.187 0.000 2.718 460 T HA -0.216 4.134 4.350 -0.000 0.000 0.266 460 T C 1.790 176.516 174.700 0.043 0.000 1.033 460 T CA 2.556 64.703 62.100 0.080 0.000 1.151 460 T CB -0.384 68.503 68.868 0.032 0.000 0.853 460 T HN 0.136 nan 8.240 nan 0.000 0.466 461 G N 0.047 108.870 108.800 0.038 0.000 2.719 461 G HA2 0.184 4.144 3.960 -0.000 0.000 0.211 461 G HA3 0.184 4.144 3.960 -0.000 0.000 0.211 461 G C 0.525 175.416 174.900 -0.014 0.000 1.140 461 G CA -0.359 44.744 45.100 0.005 0.000 0.790 461 G HN 0.616 nan 8.290 nan 0.000 0.529 462 Q N 0.781 120.563 119.800 -0.031 0.000 2.337 462 Q HA 0.414 4.754 4.340 -0.000 0.000 0.270 462 Q C 0.588 176.530 176.000 -0.096 0.000 1.002 462 Q CA -0.020 55.728 55.803 -0.093 0.000 0.888 462 Q CB 1.228 29.849 28.738 -0.196 0.000 1.222 462 Q HN 0.202 nan 8.270 nan 0.000 0.400 463 G N 0.658 109.406 108.800 -0.086 0.000 2.532 463 G HA2 0.598 4.558 3.960 -0.000 0.000 0.291 463 G HA3 0.598 4.558 3.960 -0.000 0.000 0.291 463 G C 0.246 175.088 174.900 -0.097 0.000 1.349 463 G CA -0.000 45.060 45.100 -0.067 0.000 1.038 463 G HN 0.878 nan 8.290 nan 0.000 0.518 464 G N -1.129 107.631 108.800 -0.067 0.000 2.562 464 G HA2 0.121 4.081 3.960 -0.000 0.000 0.250 464 G HA3 0.121 4.081 3.960 -0.000 0.000 0.250 464 G C 0.274 175.120 174.900 -0.091 0.000 1.269 464 G CA 0.636 45.691 45.100 -0.074 0.000 0.919 464 G HN 1.915 nan 8.290 nan 0.000 0.574 465 S N -0.257 115.381 115.700 -0.104 0.000 2.745 465 S HA 0.546 5.016 4.470 -0.000 0.000 0.283 465 S C 1.119 175.629 174.600 -0.150 0.000 1.170 465 S CA 0.210 58.349 58.200 -0.102 0.000 1.119 465 S CB 1.081 64.251 63.200 -0.051 0.000 1.035 465 S HN 0.647 nan 8.310 nan 0.000 0.483 466 K N 3.396 123.620 120.400 -0.294 0.000 2.032 466 K HA -0.009 4.311 4.320 -0.000 0.000 0.209 466 K C 1.605 178.157 176.600 -0.079 0.000 1.048 466 K CA 1.488 57.530 56.287 -0.408 0.000 0.927 466 K CB -0.357 31.414 32.500 -1.215 0.000 0.712 466 K HN 0.666 nan 8.250 nan 0.000 0.441 467 L N -0.429 120.827 121.223 0.056 0.000 2.156 467 L HA -0.019 4.321 4.340 -0.000 0.000 0.208 467 L C 0.802 177.773 176.870 0.168 0.000 1.095 467 L CA 0.576 55.526 54.840 0.184 0.000 0.770 467 L CB -0.413 41.697 42.059 0.085 0.000 0.914 467 L HN 0.335 nan 8.230 nan 0.000 0.439 468 G N 0.415 109.250 108.800 0.058 0.000 3.225 468 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.686 468 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.686 468 G C -0.421 174.484 174.900 0.008 0.000 1.105 468 G CA -0.318 44.804 45.100 0.038 0.000 0.831 468 G HN 0.255 nan 8.290 nan 0.000 0.578 469 S N 1.871 117.565 115.700 -0.010 0.000 2.532 469 S HA 0.894 5.364 4.470 -0.000 0.000 0.299 469 S C -0.347 174.243 174.600 -0.017 0.000 1.105 469 S CA -0.998 57.185 58.200 -0.028 0.000 1.018 469 S CB 2.825 66.005 63.200 -0.033 0.000 1.021 469 S HN 0.715 nan 8.310 nan 0.000 0.483 470 K N 1.423 121.811 120.400 -0.020 0.000 2.352 470 K HA 0.516 4.836 4.320 -0.000 0.000 0.240 470 K C 0.353 176.961 176.600 0.014 0.000 1.017 470 K CA -0.906 55.383 56.287 0.003 0.000 0.851 470 K CB 1.468 33.977 32.500 0.015 0.000 1.261 470 K HN 0.771 nan 8.250 nan 0.000 0.451 471 R N -0.291 120.231 120.500 0.036 0.000 2.397 471 R HA 0.096 4.436 4.340 -0.000 0.000 0.241 471 R C 0.176 176.534 176.300 0.096 0.000 0.914 471 R CA -0.118 56.020 56.100 0.062 0.000 1.071 471 R CB 0.048 30.383 30.300 0.058 0.000 1.116 471 R HN 0.692 nan 8.270 nan 0.000 0.524 472 T N 0.132 114.741 114.554 0.091 0.000 2.939 472 T HA 0.106 4.456 4.350 -0.000 0.000 0.319 472 T C 0.462 175.259 174.700 0.162 0.000 1.082 472 T CA -0.006 62.150 62.100 0.093 0.000 1.133 472 T CB 1.068 69.983 68.868 0.078 0.000 1.019 472 T HN 0.024 nan 8.240 nan 0.000 0.548 473 L N 4.203 125.449 121.223 0.038 0.000 2.375 473 L HA 0.344 4.684 4.340 -0.000 0.000 0.268 473 L C -0.756 175.926 176.870 -0.314 0.000 1.058 473 L CA -2.621 52.163 54.840 -0.094 0.000 0.803 473 L CB 1.818 43.793 42.059 -0.140 0.000 1.212 473 L HN 0.526 nan 8.230 nan 0.000 0.451 474 P HA -0.183 nan 4.420 nan 0.000 0.214 474 P C 1.293 178.071 177.300 -0.869 0.000 1.162 474 P CA 1.208 63.860 63.100 -0.747 0.000 0.874 474 P CB 0.245 31.358 31.700 -0.980 0.000 0.784 475 K N 1.036 120.687 120.400 -1.248 0.000 2.044 475 K HA -0.230 4.090 4.320 -0.000 0.000 0.224 475 K C 2.083 178.052 176.600 -1.051 0.000 1.056 475 K CA 2.693 57.879 56.287 -1.834 0.000 0.962 475 K CB -0.469 31.490 32.500 -0.902 0.000 0.730 475 K HN -0.034 nan 8.250 nan 0.000 0.453 476 K N -0.183 119.887 120.400 -0.550 0.000 2.448 476 K HA -0.148 4.172 4.320 -0.000 0.000 0.200 476 K C 1.126 177.576 176.600 -0.248 0.000 1.045 476 K CA 1.485 57.588 56.287 -0.306 0.000 0.933 476 K CB -0.176 32.208 32.500 -0.194 0.000 0.755 476 K HN 0.364 nan 8.250 nan 0.000 0.481 477 S N -1.596 113.908 115.700 -0.326 0.000 3.073 477 S HA 0.215 4.685 4.470 -0.000 0.000 0.252 477 S C 0.842 175.399 174.600 -0.072 0.000 0.953 477 S CA -0.756 57.356 58.200 -0.147 0.000 1.105 477 S CB -0.702 62.451 63.200 -0.079 0.000 1.070 477 S HN 0.171 nan 8.310 nan 0.000 0.574 478 F N 2.278 122.071 119.950 -0.262 0.000 2.115 478 F HA -0.194 4.333 4.527 -0.000 0.000 0.300 478 F C 2.848 178.416 175.800 -0.386 0.000 1.092 478 F CA 1.154 58.848 58.000 -0.511 0.000 1.245 478 F CB -0.134 38.259 39.000 -1.012 0.000 0.995 478 F HN 0.319 nan 8.300 nan 0.000 0.481 479 E N 0.547 120.787 120.200 0.066 0.000 2.048 479 E HA -0.268 4.082 4.350 -0.000 0.000 0.202 479 E C 2.015 178.674 176.600 0.099 0.000 1.021 479 E CA 1.703 58.200 56.400 0.162 0.000 0.825 479 E CB -0.566 29.235 29.700 0.168 0.000 0.756 479 E HN 0.444 nan 8.360 nan 0.000 0.454 480 Q N 0.438 120.282 119.800 0.072 0.000 2.079 480 Q HA -0.066 4.274 4.340 -0.000 0.000 0.200 480 Q C 2.325 178.372 176.000 0.079 0.000 0.974 480 Q CA 1.244 57.090 55.803 0.072 0.000 0.840 480 Q CB -0.489 28.287 28.738 0.062 0.000 0.898 480 Q HN 0.558 nan 8.270 nan 0.000 0.430 481 I N -1.026 119.584 120.570 0.068 0.000 2.286 481 I HA -0.200 3.970 4.170 -0.000 0.000 0.245 481 I C 1.947 178.102 176.117 0.064 0.000 1.104 481 I CA 1.774 63.123 61.300 0.082 0.000 1.397 481 I CB -0.501 37.557 38.000 0.097 0.000 1.072 481 I HN 0.227 nan 8.210 nan 0.000 0.417 482 S N 2.234 117.942 115.700 0.012 0.000 2.382 482 S HA -0.086 4.384 4.470 -0.000 0.000 0.228 482 S C 2.350 176.996 174.600 0.077 0.000 1.027 482 S CA 0.973 59.186 58.200 0.022 0.000 0.991 482 S CB -0.947 62.260 63.200 0.012 0.000 0.823 482 S HN 0.638 nan 8.310 nan 0.000 0.469 483 A N 2.599 125.471 122.820 0.087 0.000 1.940 483 A HA -0.142 4.177 4.320 -0.000 0.000 0.219 483 A C 2.236 179.872 177.584 0.086 0.000 1.176 483 A CA 1.756 53.843 52.037 0.084 0.000 0.631 483 A CB -0.823 18.225 19.000 0.081 0.000 0.814 483 A HN 0.589 nan 8.150 nan 0.000 0.446 484 N N -0.209 118.564 118.700 0.121 0.000 2.333 484 N HA -0.036 4.704 4.740 -0.000 0.000 0.178 484 N C 1.704 177.354 175.510 0.234 0.000 1.018 484 N CA 1.310 54.480 53.050 0.201 0.000 0.882 484 N CB -0.186 38.447 38.487 0.245 0.000 0.984 484 N HN 0.743 nan 8.380 nan 0.000 0.434 485 I N -1.082 119.581 120.570 0.155 0.000 3.001 485 I HA -0.043 4.127 4.170 -0.000 0.000 0.268 485 I C 1.623 177.813 176.117 0.122 0.000 1.267 485 I CA 1.053 62.438 61.300 0.141 0.000 1.472 485 I CB -0.002 38.054 38.000 0.093 0.000 1.089 485 I HN -0.175 nan 8.210 nan 0.000 0.468 486 T N 0.821 115.433 114.554 0.097 0.000 2.901 486 T HA -0.053 4.297 4.350 -0.000 0.000 0.252 486 T C 1.792 176.514 174.700 0.036 0.000 1.035 486 T CA 1.210 63.346 62.100 0.061 0.000 1.142 486 T CB -0.014 68.881 68.868 0.046 0.000 0.869 486 T HN 0.368 nan 8.240 nan 0.000 0.442 487 K N 0.104 120.505 120.400 0.003 0.000 2.009 487 K HA -0.089 4.231 4.320 -0.000 0.000 0.210 487 K C 1.644 178.125 176.600 -0.199 0.000 1.049 487 K CA 1.699 57.903 56.287 -0.137 0.000 0.929 487 K CB -0.287 32.061 32.500 -0.254 0.000 0.714 487 K HN 0.338 nan 8.250 nan 0.000 0.440 488 F N 0.295 120.263 119.950 0.029 0.000 2.743 488 F HA 0.079 4.606 4.527 -0.000 0.000 0.297 488 F C 0.641 176.458 175.800 0.027 0.000 1.131 488 F CA 0.445 58.460 58.000 0.026 0.000 1.426 488 F CB 0.015 39.029 39.000 0.024 0.000 1.116 488 F HN 0.253 nan 8.300 nan 0.000 0.583 489 N N 0.736 119.544 118.700 0.179 0.000 2.861 489 N HA -0.206 4.534 4.740 -0.000 0.000 0.247 489 N C -0.394 175.189 175.510 0.122 0.000 1.117 489 N CA 0.097 53.221 53.050 0.123 0.000 0.703 489 N CB -1.596 36.951 38.487 0.101 0.000 1.052 489 N HN 0.202 nan 8.380 nan 0.000 0.555 490 I N 0.579 121.227 120.570 0.131 0.000 2.692 490 I HA -0.060 4.110 4.170 -0.000 0.000 0.284 490 I C 1.278 177.440 176.117 0.075 0.000 1.159 490 I CA 0.658 62.016 61.300 0.096 0.000 1.423 490 I CB 0.648 38.703 38.000 0.091 0.000 1.380 490 I HN 0.293 nan 8.210 nan 0.000 0.580 491 Q N 4.633 124.469 119.800 0.061 0.000 2.057 491 Q HA 0.374 4.714 4.340 -0.000 0.000 0.216 491 Q C 0.105 176.118 176.000 0.021 0.000 0.788 491 Q CA -0.348 55.473 55.803 0.031 0.000 1.053 491 Q CB 1.722 30.467 28.738 0.013 0.000 1.210 491 Q HN 0.931 nan 8.270 nan 0.000 0.455 492 G N 0.699 109.534 108.800 0.058 0.000 2.411 492 G HA2 0.492 4.452 3.960 -0.000 0.000 0.295 492 G HA3 0.492 4.452 3.960 -0.000 0.000 0.295 492 G C -2.501 172.472 174.900 0.121 0.000 1.542 492 G CA -0.523 44.628 45.100 0.085 0.000 0.814 492 G HN -0.053 nan 8.290 nan 0.000 0.557 493 L N 0.228 121.563 121.223 0.186 0.000 2.431 493 L HA 0.755 5.095 4.340 -0.000 0.000 0.266 493 L C -0.488 176.498 176.870 0.194 0.000 0.978 493 L CA -1.024 53.923 54.840 0.177 0.000 0.822 493 L CB 2.162 44.356 42.059 0.224 0.000 1.310 493 L HN 0.460 nan 8.230 nan 0.000 0.409 494 V N 5.191 125.167 119.914 0.103 0.000 2.376 494 V HA 0.519 4.639 4.120 -0.000 0.000 0.287 494 V C -0.186 175.913 176.094 0.009 0.000 1.015 494 V CA -0.466 61.882 62.300 0.081 0.000 0.834 494 V CB 1.606 33.462 31.823 0.056 0.000 1.001 494 V HN 0.489 nan 8.190 nan 0.000 0.428 495 I N 5.785 126.358 120.570 0.006 0.000 2.355 495 I HA 0.501 4.671 4.170 -0.000 0.000 0.288 495 I C -0.753 175.324 176.117 -0.066 0.000 0.999 495 I CA -0.583 60.676 61.300 -0.069 0.000 1.163 495 I CB 1.656 39.599 38.000 -0.096 0.000 1.316 495 I HN 0.325 nan 8.210 nan 0.000 0.454 496 I N 5.271 125.791 120.570 -0.083 0.000 2.312 496 I HA 0.773 4.943 4.170 -0.000 0.000 0.290 496 I C 0.615 176.690 176.117 -0.070 0.000 1.008 496 I CA -0.053 61.202 61.300 -0.074 0.000 1.226 496 I CB 0.561 38.522 38.000 -0.065 0.000 1.371 496 I HN 0.840 nan 8.210 nan 0.000 0.468 497 G N 3.539 112.311 108.800 -0.047 0.000 2.428 497 G HA2 0.577 4.537 3.960 -0.000 0.000 0.304 497 G HA3 0.577 4.537 3.960 -0.000 0.000 0.304 497 G C -0.562 174.348 174.900 0.016 0.000 1.303 497 G CA -0.019 45.068 45.100 -0.023 0.000 0.825 497 G HN 0.746 nan 8.290 nan 0.000 0.484 498 G N -1.157 107.677 108.800 0.056 0.000 3.271 498 G HA2 0.436 4.396 3.960 -0.000 0.000 0.174 498 G HA3 0.436 4.396 3.960 -0.000 0.000 0.174 498 G C 0.851 175.852 174.900 0.169 0.000 1.385 498 G CA 0.267 45.432 45.100 0.109 0.000 0.979 498 G HN 0.482 nan 8.290 nan 0.000 0.610 499 F N 1.854 121.846 119.950 0.069 0.000 2.095 499 F HA -0.049 4.478 4.527 -0.000 0.000 0.298 499 F C 2.644 178.529 175.800 0.141 0.000 1.104 499 F CA 1.994 60.062 58.000 0.113 0.000 1.232 499 F CB 0.207 39.252 39.000 0.075 0.000 0.987 499 F HN 0.298 nan 8.300 nan 0.000 0.475 500 E N 0.074 120.419 120.200 0.241 0.000 2.461 500 E HA 0.039 4.389 4.350 -0.000 0.000 0.196 500 E C 1.433 178.100 176.600 0.111 0.000 1.129 500 E CA 0.725 57.215 56.400 0.150 0.000 0.902 500 E CB -0.700 29.098 29.700 0.163 0.000 0.963 500 E HN 0.485 nan 8.360 nan 0.000 0.503 501 A N 0.330 123.194 122.820 0.074 0.000 1.970 501 A HA 0.019 4.339 4.320 -0.000 0.000 0.204 501 A C 1.912 179.516 177.584 0.033 0.000 1.325 501 A CA 0.221 52.291 52.037 0.055 0.000 0.767 501 A CB -0.558 18.451 19.000 0.014 0.000 0.949 501 A HN 0.224 nan 8.150 nan 0.000 0.481 502 Y N 1.364 121.575 120.300 -0.148 0.000 2.049 502 Y HA -0.197 4.353 4.550 -0.000 0.000 0.277 502 Y C 2.525 178.312 175.900 -0.189 0.000 1.143 502 Y CA 2.521 60.497 58.100 -0.205 0.000 1.115 502 Y CB -1.113 37.114 38.460 -0.388 0.000 0.975 502 Y HN 0.243 nan 8.280 nan 0.000 0.487 503 T N 0.141 114.401 114.554 -0.491 0.000 2.635 503 T HA -0.210 4.140 4.350 -0.000 0.000 0.267 503 T C 1.953 176.516 174.700 -0.228 0.000 1.040 503 T CA 2.198 64.049 62.100 -0.414 0.000 1.156 503 T CB -1.185 67.586 68.868 -0.162 0.000 0.863 503 T HN 0.642 nan 8.240 nan 0.000 0.430 504 G N -0.008 108.737 108.800 -0.091 0.000 2.470 504 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.220 504 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.220 504 G C 1.538 176.319 174.900 -0.199 0.000 1.121 504 G CA 1.068 46.112 45.100 -0.092 0.000 0.766 504 G HN 0.592 nan 8.290 nan 0.000 0.553 505 G N 1.142 109.803 108.800 -0.232 0.000 2.464 505 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.214 505 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.214 505 G C 1.750 176.481 174.900 -0.281 0.000 1.218 505 G CA 0.699 45.521 45.100 -0.463 0.000 0.794 505 G HN 0.385 nan 8.290 nan 0.000 0.542 506 L N 0.231 121.336 121.223 -0.196 0.000 2.021 506 L HA -0.182 4.158 4.340 -0.000 0.000 0.215 506 L C 2.814 179.637 176.870 -0.079 0.000 1.074 506 L CA 1.620 56.394 54.840 -0.110 0.000 0.760 506 L CB -0.482 41.437 42.059 -0.233 0.000 0.889 506 L HN 0.308 nan 8.230 nan 0.000 0.433 507 E N -0.067 120.055 120.200 -0.129 0.000 2.273 507 E HA -0.234 4.116 4.350 -0.000 0.000 0.198 507 E C 2.251 178.895 176.600 0.074 0.000 1.002 507 E CA 0.945 57.309 56.400 -0.060 0.000 0.828 507 E CB -0.020 29.588 29.700 -0.153 0.000 0.747 507 E HN 0.524 nan 8.360 nan 0.000 0.491 508 L N -0.268 120.934 121.223 -0.036 0.000 2.162 508 L HA -0.126 4.214 4.340 -0.000 0.000 0.205 508 L C 2.514 179.406 176.870 0.037 0.000 1.086 508 L CA 0.267 55.090 54.840 -0.028 0.000 0.778 508 L CB -0.234 41.749 42.059 -0.127 0.000 0.928 508 L HN 0.212 nan 8.230 nan 0.000 0.446 509 M N -0.289 119.396 119.600 0.141 0.000 2.082 509 M HA -0.228 4.252 4.480 -0.000 0.000 0.258 509 M C 2.233 178.557 176.300 0.040 0.000 1.071 509 M CA 1.735 57.104 55.300 0.116 0.000 1.103 509 M CB -1.063 31.609 32.600 0.121 0.000 1.307 509 M HN 0.171 nan 8.290 nan 0.000 0.409 510 E N 0.077 120.308 120.200 0.052 0.000 2.114 510 E HA -0.174 4.176 4.350 -0.000 0.000 0.199 510 E C 2.070 178.711 176.600 0.069 0.000 1.008 510 E CA 1.679 58.119 56.400 0.066 0.000 0.810 510 E CB -0.917 28.841 29.700 0.097 0.000 0.739 510 E HN 0.664 nan 8.360 nan 0.000 0.456 511 G N 0.914 109.701 108.800 -0.021 0.000 2.450 511 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.220 511 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.220 511 G C 1.604 176.484 174.900 -0.032 0.000 1.130 511 G CA 0.673 45.630 45.100 -0.238 0.000 0.760 511 G HN 0.236 nan 8.290 nan 0.000 0.557 512 R N 0.033 120.499 120.500 -0.056 0.000 2.303 512 R HA -0.010 4.330 4.340 -0.000 0.000 0.225 512 R C 2.332 178.641 176.300 0.016 0.000 1.114 512 R CA 1.044 57.127 56.100 -0.028 0.000 1.007 512 R CB -0.043 30.216 30.300 -0.068 0.000 0.861 512 R HN 0.362 nan 8.270 nan 0.000 0.471 513 K N -0.284 120.140 120.400 0.040 0.000 2.128 513 K HA -0.056 4.264 4.320 -0.000 0.000 0.202 513 K C 1.698 178.306 176.600 0.015 0.000 1.050 513 K CA 0.873 57.180 56.287 0.033 0.000 0.966 513 K CB 0.256 32.777 32.500 0.035 0.000 0.759 513 K HN -0.008 nan 8.250 nan 0.000 0.454 514 Q N -0.630 119.193 119.800 0.039 0.000 2.408 514 Q HA 0.158 4.498 4.340 -0.000 0.000 0.205 514 Q C -0.639 175.042 176.000 -0.532 0.000 0.919 514 Q CA 0.520 56.207 55.803 -0.194 0.000 0.932 514 Q CB 0.449 29.076 28.738 -0.185 0.000 1.058 514 Q HN 0.047 nan 8.270 nan 0.000 0.517 515 F N 0.232 120.139 119.950 -0.071 0.000 2.565 515 F HA 0.266 4.793 4.527 -0.000 0.000 0.313 515 F C 0.478 176.250 175.800 -0.046 0.000 1.091 515 F CA -1.570 56.387 58.000 -0.071 0.000 0.915 515 F CB 1.547 40.462 39.000 -0.142 0.000 1.208 515 F HN -0.093 nan 8.300 nan 0.000 0.453 516 D N 0.582 121.078 120.400 0.160 0.000 2.271 516 D HA -0.051 4.589 4.640 -0.000 0.000 0.206 516 D C 0.953 177.333 176.300 0.132 0.000 0.967 516 D CA 0.789 54.882 54.000 0.156 0.000 0.867 516 D CB 0.033 40.913 40.800 0.133 0.000 0.960 516 D HN 0.584 nan 8.370 nan 0.000 0.509 517 E N 1.453 121.725 120.200 0.120 0.000 2.051 517 E HA -0.022 4.328 4.350 -0.000 0.000 0.192 517 E C 2.193 178.807 176.600 0.023 0.000 0.991 517 E CA 0.517 56.961 56.400 0.072 0.000 0.799 517 E CB -0.345 29.400 29.700 0.075 0.000 0.748 517 E HN 0.232 nan 8.360 nan 0.000 0.449 518 L N 0.427 121.634 121.223 -0.027 0.000 2.651 518 L HA -0.125 4.215 4.340 -0.000 0.000 0.236 518 L C 0.790 177.632 176.870 -0.046 0.000 1.173 518 L CA 0.035 54.821 54.840 -0.090 0.000 0.843 518 L CB -0.488 41.405 42.059 -0.277 0.000 0.964 518 L HN 0.259 nan 8.230 nan 0.000 0.454 519 C N 1.285 120.560 119.300 -0.043 0.000 2.289 519 C HA 0.208 4.668 4.460 -0.000 0.000 0.391 519 C C 1.261 176.173 174.990 -0.130 0.000 1.304 519 C CA -0.835 58.103 59.018 -0.135 0.000 1.679 519 C CB -2.168 25.462 27.740 -0.184 0.000 1.885 519 C HN 0.295 nan 8.230 nan 0.000 0.587 520 I N -1.515 119.021 120.570 -0.057 0.000 2.947 520 I HA 0.663 4.833 4.170 -0.000 0.000 0.314 520 I C -2.751 173.332 176.117 -0.058 0.000 1.028 520 I CA -2.540 58.733 61.300 -0.045 0.000 1.077 520 I CB 0.942 38.952 38.000 0.016 0.000 1.274 520 I HN -0.191 nan 8.210 nan 0.000 0.485 521 P HA 0.480 nan 4.420 nan 0.000 0.281 521 P C -1.363 175.974 177.300 0.062 0.000 1.264 521 P CA -0.355 62.671 63.100 -0.124 0.000 0.824 521 P CB 0.760 32.357 31.700 -0.173 0.000 1.092 522 F N -1.969 118.108 119.950 0.213 0.000 2.631 522 F HA 0.780 5.306 4.527 -0.000 0.000 0.308 522 F C -1.656 174.291 175.800 0.245 0.000 1.097 522 F CA -1.400 56.723 58.000 0.206 0.000 0.952 522 F CB 1.112 40.193 39.000 0.135 0.000 1.307 522 F HN 0.028 nan 8.300 nan 0.000 0.450 523 V N 1.569 121.756 119.914 0.456 0.000 2.735 523 V HA 0.691 4.811 4.120 -0.000 0.000 0.310 523 V C -0.925 175.279 176.094 0.183 0.000 1.061 523 V CA -1.048 61.357 62.300 0.176 0.000 0.913 523 V CB 1.603 33.417 31.823 -0.016 0.000 1.005 523 V HN 0.795 nan 8.190 nan 0.000 0.428 524 V N 4.715 124.690 119.914 0.102 0.000 2.378 524 V HA 0.468 4.588 4.120 -0.000 0.000 0.288 524 V C -0.230 175.829 176.094 -0.059 0.000 1.016 524 V CA -0.251 62.072 62.300 0.039 0.000 0.840 524 V CB 1.515 33.387 31.823 0.081 0.000 0.994 524 V HN 0.724 nan 8.190 nan 0.000 0.431 525 I N 8.588 129.109 120.570 -0.082 0.000 2.301 525 I HA 0.290 4.460 4.170 -0.000 0.000 0.292 525 I C -1.958 174.084 176.117 -0.125 0.000 1.046 525 I CA -1.904 59.307 61.300 -0.148 0.000 1.282 525 I CB 1.748 39.653 38.000 -0.159 0.000 1.409 525 I HN 0.417 nan 8.210 nan 0.000 0.484 526 P HA 0.063 nan 4.420 nan 0.000 0.264 526 P C -0.750 176.525 177.300 -0.043 0.000 1.236 526 P CA -0.016 63.047 63.100 -0.062 0.000 0.811 526 P CB 0.681 32.359 31.700 -0.037 0.000 0.840 527 A N 3.066 125.880 122.820 -0.010 0.000 2.646 527 A HA 0.575 4.895 4.320 -0.000 0.000 0.312 527 A C -0.257 177.357 177.584 0.049 0.000 1.245 527 A CA -0.491 51.554 52.037 0.013 0.000 0.755 527 A CB 0.776 19.765 19.000 -0.018 0.000 1.132 527 A HN 0.431 nan 8.150 nan 0.000 0.458 528 T N 1.268 115.872 114.554 0.084 0.000 2.993 528 T HA 0.323 4.673 4.350 -0.000 0.000 0.312 528 T C 0.890 175.659 174.700 0.114 0.000 1.115 528 T CA -0.129 62.027 62.100 0.094 0.000 1.027 528 T CB 1.365 70.296 68.868 0.105 0.000 1.116 528 T HN 0.399 nan 8.240 nan 0.000 0.464 529 V N 3.768 123.748 119.914 0.109 0.000 2.332 529 V HA -0.110 4.010 4.120 -0.000 0.000 0.248 529 V C 2.474 178.655 176.094 0.145 0.000 1.055 529 V CA 2.660 65.035 62.300 0.125 0.000 1.038 529 V CB -0.336 31.553 31.823 0.110 0.000 0.651 529 V HN 0.956 nan 8.190 nan 0.000 0.450 530 S N -1.049 114.729 115.700 0.130 0.000 2.481 530 S HA -0.082 4.387 4.470 -0.000 0.000 0.231 530 S C 1.086 175.764 174.600 0.129 0.000 0.996 530 S CA 0.668 58.950 58.200 0.136 0.000 0.942 530 S CB -0.577 62.689 63.200 0.110 0.000 0.768 530 S HN 0.780 nan 8.310 nan 0.000 0.520 531 N N 1.595 120.344 118.700 0.081 0.000 2.740 531 N HA -0.188 4.551 4.740 -0.000 0.000 0.248 531 N C 0.074 175.606 175.510 0.038 0.000 1.062 531 N CA 0.544 53.585 53.050 -0.015 0.000 0.704 531 N CB -0.707 37.557 38.487 -0.372 0.000 0.968 531 N HN 0.593 nan 8.380 nan 0.000 0.547 532 N N -1.060 117.689 118.700 0.082 0.000 2.236 532 N HA 0.043 4.783 4.740 -0.000 0.000 0.196 532 N C 0.061 175.653 175.510 0.137 0.000 1.114 532 N CA 0.138 53.235 53.050 0.079 0.000 0.859 532 N CB 0.258 38.762 38.487 0.028 0.000 0.982 532 N HN 0.031 nan 8.380 nan 0.000 0.493 533 V N 2.771 122.764 119.914 0.133 0.000 2.555 533 V HA 0.242 4.362 4.120 -0.000 0.000 0.286 533 V C -1.984 174.069 176.094 -0.068 0.000 1.044 533 V CA -1.135 61.221 62.300 0.095 0.000 1.026 533 V CB 0.821 32.658 31.823 0.023 0.000 0.981 533 V HN 0.128 nan 8.190 nan 0.000 0.480 534 P HA 0.358 nan 4.420 nan 0.000 0.274 534 P C 0.734 177.854 177.300 -0.299 0.000 1.231 534 P CA 0.614 63.542 63.100 -0.286 0.000 0.790 534 P CB 0.725 32.156 31.700 -0.448 0.000 0.951 535 G N -0.649 108.041 108.800 -0.184 0.000 2.132 535 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.234 535 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.234 535 G C 0.077 174.914 174.900 -0.105 0.000 0.989 535 G CA 0.175 45.188 45.100 -0.145 0.000 0.676 535 G HN 0.819 nan 8.290 nan 0.000 0.522 536 S N -1.212 114.443 115.700 -0.076 0.000 2.556 536 S HA 0.506 4.976 4.470 -0.000 0.000 0.280 536 S C 0.272 174.837 174.600 -0.058 0.000 1.141 536 S CA 0.250 58.424 58.200 -0.044 0.000 0.883 536 S CB 1.049 64.256 63.200 0.011 0.000 1.103 536 S HN 0.016 nan 8.310 nan 0.000 0.453 537 D N 1.739 122.028 120.400 -0.185 0.000 2.224 537 D HA 0.188 4.828 4.640 -0.000 0.000 0.205 537 D C 0.045 175.939 176.300 -0.676 0.000 0.965 537 D CA 1.432 55.174 54.000 -0.430 0.000 0.852 537 D CB 0.053 40.201 40.800 -1.087 0.000 0.947 537 D HN 0.437 nan 8.370 nan 0.000 0.494 538 F N -0.674 119.382 119.950 0.177 0.000 2.620 538 F HA 0.401 4.928 4.527 -0.000 0.000 0.320 538 F C 0.312 176.293 175.800 0.302 0.000 1.069 538 F CA -1.162 56.936 58.000 0.163 0.000 0.953 538 F CB 1.805 40.834 39.000 0.048 0.000 1.322 538 F HN -0.358 nan 8.300 nan 0.000 0.479 539 S N -0.232 115.765 115.700 0.494 0.000 2.632 539 S HA 0.788 5.258 4.470 -0.000 0.000 0.289 539 S C -1.357 173.519 174.600 0.460 0.000 1.115 539 S CA -0.876 57.562 58.200 0.395 0.000 0.889 539 S CB 1.615 64.926 63.200 0.185 0.000 1.116 539 S HN 0.414 nan 8.310 nan 0.000 0.486 540 V N 1.724 121.803 119.914 0.274 0.000 2.555 540 V HA 0.577 4.697 4.120 -0.000 0.000 0.286 540 V C 1.484 177.688 176.094 0.184 0.000 1.044 540 V CA 1.202 63.647 62.300 0.242 0.000 1.026 540 V CB 0.135 31.980 31.823 0.036 0.000 0.981 540 V HN 1.697 nan 8.190 nan 0.000 0.480 541 G N 3.784 112.707 108.800 0.205 0.000 2.179 541 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.220 541 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.220 541 G C 0.820 175.828 174.900 0.181 0.000 0.990 541 G CA 0.434 45.629 45.100 0.158 0.000 0.646 541 G HN 1.161 nan 8.290 nan 0.000 0.517 542 A N 0.468 123.430 122.820 0.237 0.000 1.843 542 A HA 0.262 4.582 4.320 -0.000 0.000 0.213 542 A C 1.855 179.583 177.584 0.239 0.000 1.202 542 A CA 2.270 54.462 52.037 0.258 0.000 0.607 542 A CB -0.602 18.589 19.000 0.318 0.000 0.847 542 A HN 0.546 nan 8.150 nan 0.000 0.445 543 D N -0.828 119.716 120.400 0.240 0.000 2.160 543 D HA -0.175 4.464 4.640 -0.000 0.000 0.189 543 D C 1.954 178.344 176.300 0.150 0.000 1.003 543 D CA 2.376 56.471 54.000 0.159 0.000 0.846 543 D CB -0.301 40.592 40.800 0.155 0.000 0.949 543 D HN 0.342 nan 8.370 nan 0.000 0.446 544 T N -0.373 114.278 114.554 0.162 0.000 2.607 544 T HA -0.221 4.129 4.350 -0.000 0.000 0.267 544 T C 1.830 176.587 174.700 0.095 0.000 1.049 544 T CA 2.172 64.347 62.100 0.124 0.000 1.162 544 T CB -0.809 68.123 68.868 0.106 0.000 0.863 544 T HN 0.337 nan 8.240 nan 0.000 0.424 545 A N 1.309 124.188 122.820 0.099 0.000 1.849 545 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 545 A C 2.283 179.896 177.584 0.048 0.000 1.202 545 A CA 2.061 54.142 52.037 0.073 0.000 0.629 545 A CB -1.260 17.794 19.000 0.091 0.000 0.834 545 A HN 0.462 nan 8.150 nan 0.000 0.447 546 L N 0.130 121.389 121.223 0.060 0.000 2.064 546 L HA -0.302 4.038 4.340 -0.000 0.000 0.216 546 L C 1.970 178.834 176.870 -0.010 0.000 1.077 546 L CA 2.779 57.623 54.840 0.007 0.000 0.766 546 L CB -0.649 41.421 42.059 0.020 0.000 0.890 546 L HN 0.511 nan 8.230 nan 0.000 0.435 547 N N -1.909 116.807 118.700 0.026 0.000 2.309 547 N HA -0.137 4.603 4.740 -0.000 0.000 0.182 547 N C 1.519 177.019 175.510 -0.017 0.000 1.018 547 N CA 1.545 54.599 53.050 0.007 0.000 0.876 547 N CB -0.010 38.516 38.487 0.065 0.000 0.972 547 N HN 0.421 nan 8.380 nan 0.000 0.434 548 T N 0.056 114.607 114.554 -0.005 0.000 2.896 548 T HA 0.096 4.446 4.350 -0.000 0.000 0.263 548 T C 1.807 176.480 174.700 -0.044 0.000 1.050 548 T CA 0.475 62.563 62.100 -0.019 0.000 1.140 548 T CB 0.012 68.877 68.868 -0.004 0.000 0.877 548 T HN 0.135 nan 8.240 nan 0.000 0.457 549 I N 0.766 121.306 120.570 -0.050 0.000 2.072 549 I HA -0.211 3.959 4.170 -0.000 0.000 0.235 549 I C 2.807 178.869 176.117 -0.091 0.000 1.058 549 I CA 0.809 62.064 61.300 -0.075 0.000 1.320 549 I CB -0.635 37.313 38.000 -0.085 0.000 1.047 549 I HN 0.291 nan 8.210 nan 0.000 0.397 550 C N 0.674 119.915 119.300 -0.097 0.000 2.382 550 C HA -0.299 4.161 4.460 -0.000 0.000 0.274 550 C C 3.066 177.992 174.990 -0.106 0.000 1.180 550 C CA 2.281 61.234 59.018 -0.109 0.000 1.799 550 C CB -1.203 26.474 27.740 -0.106 0.000 2.094 550 C HN 0.557 nan 8.230 nan 0.000 0.468 551 T N -0.740 113.759 114.554 -0.091 0.000 2.588 551 T HA -0.187 4.163 4.350 -0.000 0.000 0.261 551 T C 1.892 176.534 174.700 -0.097 0.000 1.069 551 T CA 2.769 64.815 62.100 -0.090 0.000 1.172 551 T CB -0.731 68.095 68.868 -0.070 0.000 0.863 551 T HN 0.831 nan 8.240 nan 0.000 0.408 552 T N 0.217 114.717 114.554 -0.090 0.000 2.849 552 T HA -0.148 4.202 4.350 -0.000 0.000 0.270 552 T C 2.244 176.864 174.700 -0.133 0.000 1.066 552 T CA 1.656 63.696 62.100 -0.100 0.000 1.130 552 T CB -1.174 67.644 68.868 -0.085 0.000 0.864 552 T HN 0.442 nan 8.240 nan 0.000 0.481 553 C N 1.474 120.692 119.300 -0.136 0.000 2.413 553 C HA -0.048 4.412 4.460 -0.000 0.000 0.276 553 C C 2.582 177.452 174.990 -0.200 0.000 1.248 553 C CA 1.068 59.986 59.018 -0.167 0.000 1.742 553 C CB -1.139 26.512 27.740 -0.149 0.000 2.017 553 C HN 0.633 nan 8.230 nan 0.000 0.481 554 D N -0.202 120.100 120.400 -0.164 0.000 2.117 554 D HA -0.123 4.517 4.640 -0.000 0.000 0.197 554 D C 2.333 178.532 176.300 -0.169 0.000 0.987 554 D CA 0.882 54.787 54.000 -0.159 0.000 0.829 554 D CB -0.580 40.145 40.800 -0.125 0.000 0.961 554 D HN 0.499 nan 8.370 nan 0.000 0.460 555 R N 0.511 120.920 120.500 -0.152 0.000 2.148 555 R HA -0.011 4.329 4.340 -0.000 0.000 0.227 555 R C 2.178 178.368 176.300 -0.185 0.000 1.103 555 R CA 0.568 56.586 56.100 -0.137 0.000 0.983 555 R CB -0.162 30.075 30.300 -0.105 0.000 0.874 555 R HN 0.194 nan 8.270 nan 0.000 0.451 556 I N 0.768 121.182 120.570 -0.260 0.000 2.716 556 I HA -0.108 4.062 4.170 -0.000 0.000 0.259 556 I C 0.684 176.389 176.117 -0.686 0.000 1.172 556 I CA 0.565 61.629 61.300 -0.394 0.000 1.478 556 I CB 0.102 37.868 38.000 -0.389 0.000 1.104 556 I HN -0.094 nan 8.210 nan 0.000 0.439 557 K N 2.386 122.450 120.400 -0.559 0.000 2.989 557 K HA 0.024 4.344 4.320 -0.000 0.000 0.264 557 K C 0.138 176.574 176.600 -0.274 0.000 1.228 557 K CA 0.393 56.364 56.287 -0.527 0.000 1.186 557 K CB 0.158 32.477 32.500 -0.301 0.000 1.409 557 K HN 0.437 nan 8.250 nan 0.000 0.271 558 Q N -1.058 118.600 119.800 -0.237 0.000 1.695 558 Q HA 0.067 4.407 4.340 -0.000 0.000 0.146 558 Q C -0.356 175.661 176.000 0.029 0.000 0.477 558 Q CA -0.165 55.595 55.803 -0.072 0.000 0.781 558 Q CB 0.042 28.734 28.738 -0.077 0.000 0.877 558 Q HN 0.268 nan 8.270 nan 0.000 0.227 559 S N 1.473 117.187 115.700 0.024 0.000 3.410 559 S HA -0.153 4.317 4.470 -0.000 0.000 0.855 559 S C 0.130 174.785 174.600 0.092 0.000 1.132 559 S CA 0.450 58.712 58.200 0.102 0.000 1.064 559 S CB -0.307 63.058 63.200 0.274 0.000 0.893 559 S HN 0.633 nan 8.310 nan 0.000 0.279 560 A N 2.419 125.276 122.820 0.062 0.000 3.110 560 A HA 0.459 4.779 4.320 -0.000 0.000 0.265 560 A C 0.943 178.559 177.584 0.054 0.000 1.962 560 A CA 0.501 52.567 52.037 0.047 0.000 1.493 560 A CB -0.939 18.081 19.000 0.032 0.000 0.941 560 A HN 1.546 nan 8.150 nan 0.000 0.610 561 A N 0.379 123.240 122.820 0.069 0.000 2.440 561 A HA 0.490 4.810 4.320 -0.000 0.000 0.251 561 A C 1.508 179.117 177.584 0.042 0.000 1.089 561 A CA 0.147 52.220 52.037 0.060 0.000 0.779 561 A CB 0.255 19.299 19.000 0.074 0.000 1.022 561 A HN 1.139 nan 8.150 nan 0.000 0.492 562 G N 0.447 109.267 108.800 0.033 0.000 2.708 562 G HA2 0.310 4.270 3.960 -0.000 0.000 0.210 562 G HA3 0.310 4.270 3.960 -0.000 0.000 0.210 562 G C 0.586 175.501 174.900 0.025 0.000 1.141 562 G CA 1.331 46.446 45.100 0.025 0.000 0.788 562 G HN 1.155 nan 8.290 nan 0.000 0.531 563 T N -2.110 112.462 114.554 0.031 0.000 2.775 563 T HA 0.430 4.780 4.350 -0.000 0.000 0.320 563 T C -0.366 174.358 174.700 0.041 0.000 1.597 563 T CA -0.736 61.383 62.100 0.031 0.000 1.022 563 T CB 1.267 70.150 68.868 0.026 0.000 1.485 563 T HN -0.002 nan 8.240 nan 0.000 0.494 564 K N 0.862 121.286 120.400 0.041 0.000 2.797 564 K HA 0.596 4.916 4.320 -0.000 0.000 0.307 564 K C -0.202 176.433 176.600 0.057 0.000 1.072 564 K CA 0.054 56.371 56.287 0.049 0.000 0.981 564 K CB -0.121 32.404 32.500 0.042 0.000 1.078 564 K HN 0.702 nan 8.250 nan 0.000 0.459 565 R N -0.062 120.475 120.500 0.061 0.000 2.039 565 R HA -0.216 4.124 4.340 -0.000 0.000 0.308 565 R C -0.912 175.435 176.300 0.078 0.000 1.157 565 R CA 0.931 57.078 56.100 0.079 0.000 1.130 565 R CB -0.878 29.491 30.300 0.115 0.000 3.108 565 R HN 0.517 nan 8.270 nan 0.000 0.505 566 R N 1.020 121.521 120.500 0.002 0.000 2.594 566 R HA 0.606 4.946 4.340 -0.000 0.000 0.265 566 R C -1.655 174.466 176.300 -0.298 0.000 1.070 566 R CA -0.717 55.315 56.100 -0.114 0.000 0.909 566 R CB 1.675 31.892 30.300 -0.139 0.000 1.243 566 R HN 0.164 nan 8.270 nan 0.000 0.455 567 V N 4.509 124.156 119.914 -0.446 0.000 2.555 567 V HA 0.593 4.713 4.120 -0.000 0.000 0.302 567 V C -0.932 174.857 176.094 -0.508 0.000 1.038 567 V CA -0.551 61.484 62.300 -0.442 0.000 0.887 567 V CB 1.541 33.030 31.823 -0.557 0.000 0.991 567 V HN 0.559 nan 8.190 nan 0.000 0.434 568 F N 4.413 124.293 119.950 -0.118 0.000 2.458 568 F HA 0.624 5.151 4.527 -0.000 0.000 0.336 568 F C 0.170 175.880 175.800 -0.150 0.000 1.114 568 F CA -0.647 57.289 58.000 -0.107 0.000 0.987 568 F CB 1.415 40.353 39.000 -0.103 0.000 1.130 568 F HN 0.197 nan 8.300 nan 0.000 0.458 569 I N 5.361 125.922 120.570 -0.015 0.000 2.382 569 I HA 0.417 4.587 4.170 -0.000 0.000 0.285 569 I C -0.724 175.344 176.117 -0.082 0.000 1.007 569 I CA -0.367 60.880 61.300 -0.088 0.000 1.142 569 I CB 1.125 39.064 38.000 -0.101 0.000 1.289 569 I HN 0.444 nan 8.210 nan 0.000 0.453 570 I N 5.617 126.150 120.570 -0.062 0.000 2.465 570 I HA 0.327 4.497 4.170 -0.000 0.000 0.291 570 I C -0.111 175.967 176.117 -0.065 0.000 1.014 570 I CA -0.665 60.595 61.300 -0.067 0.000 1.093 570 I CB 2.222 40.181 38.000 -0.069 0.000 1.267 570 I HN 0.578 nan 8.210 nan 0.000 0.431 571 E N 5.364 125.524 120.200 -0.067 0.000 2.115 571 E HA 0.322 4.672 4.350 -0.000 0.000 0.282 571 E C -0.332 176.217 176.600 -0.084 0.000 0.987 571 E CA -0.517 55.848 56.400 -0.058 0.000 0.797 571 E CB 1.165 30.835 29.700 -0.050 0.000 1.086 571 E HN 0.722 nan 8.360 nan 0.000 0.397 572 T N 1.593 116.099 114.554 -0.081 0.000 2.862 572 T HA 0.437 4.787 4.350 -0.000 0.000 0.276 572 T C 0.817 175.458 174.700 -0.097 0.000 0.974 572 T CA -0.825 61.218 62.100 -0.096 0.000 0.966 572 T CB 1.044 69.857 68.868 -0.091 0.000 1.072 572 T HN 0.636 nan 8.240 nan 0.000 0.538 573 M N -0.256 119.287 119.600 -0.094 0.000 2.356 573 M HA 0.696 5.176 4.480 -0.000 0.000 0.219 573 M C 0.964 177.277 176.300 0.021 0.000 1.004 573 M CA 0.019 55.283 55.300 -0.060 0.000 1.427 573 M CB 0.037 32.595 32.600 -0.070 0.000 1.197 573 M HN 1.218 nan 8.290 nan 0.000 0.739 574 G N -0.413 108.441 108.800 0.090 0.000 2.141 574 G HA2 0.145 4.105 3.960 -0.000 0.000 0.195 574 G HA3 0.145 4.105 3.960 -0.000 0.000 0.195 574 G C 0.661 175.598 174.900 0.062 0.000 1.012 574 G CA 0.314 45.466 45.100 0.087 0.000 0.696 574 G HN 1.787 nan 8.290 nan 0.000 0.508 575 G N 0.120 108.950 108.800 0.049 0.000 2.698 575 G HA2 -0.340 3.619 3.960 -0.000 0.000 0.337 575 G HA3 -0.340 3.619 3.960 -0.000 0.000 0.337 575 G C 0.791 175.612 174.900 -0.132 0.000 1.286 575 G CA 1.477 46.567 45.100 -0.017 0.000 1.000 575 G HN 1.111 nan 8.290 nan 0.000 0.547 576 Y N 0.252 120.501 120.300 -0.085 0.000 2.466 576 Y HA 0.427 4.977 4.550 -0.000 0.000 0.272 576 Y C 1.989 177.820 175.900 -0.115 0.000 1.169 576 Y CA -0.191 57.797 58.100 -0.186 0.000 1.285 576 Y CB -0.049 38.091 38.460 -0.533 0.000 1.078 576 Y HN 0.517 nan 8.280 nan 0.000 0.523 577 C N 1.450 120.812 119.300 0.103 0.000 2.303 577 C HA 0.546 5.006 4.460 -0.000 0.000 0.341 577 C C 1.701 176.824 174.990 0.221 0.000 1.244 577 C CA -0.505 58.623 59.018 0.184 0.000 1.765 577 C CB -0.820 27.030 27.740 0.183 0.000 2.379 577 C HN 0.680 nan 8.230 nan 0.000 0.530 578 G N 4.263 113.275 108.800 0.354 0.000 3.414 578 G HA2 0.025 3.985 3.960 -0.000 0.000 0.258 578 G HA3 0.025 3.985 3.960 -0.000 0.000 0.258 578 G C 0.530 175.229 174.900 -0.334 0.000 1.348 578 G CA 0.062 45.264 45.100 0.169 0.000 1.319 578 G HN 0.936 nan 8.290 nan 0.000 0.555 579 Y N 0.676 120.752 120.300 -0.372 0.000 2.138 579 Y HA 0.074 4.624 4.550 -0.000 0.000 0.286 579 Y C 2.380 177.926 175.900 -0.589 0.000 1.115 579 Y CA 0.992 58.575 58.100 -0.861 0.000 1.105 579 Y CB -0.246 38.000 38.460 -0.357 0.000 1.004 579 Y HN 0.144 nan 8.280 nan 0.000 0.494 580 L N 0.183 121.204 121.223 -0.337 0.000 1.933 580 L HA -0.320 4.020 4.340 -0.000 0.000 0.220 580 L C 2.790 179.434 176.870 -0.376 0.000 1.078 580 L CA 1.600 56.244 54.840 -0.327 0.000 0.773 580 L CB -1.508 40.491 42.059 -0.099 0.000 0.890 580 L HN 0.358 nan 8.230 nan 0.000 0.434 581 A N -0.215 122.448 122.820 -0.262 0.000 1.894 581 A HA -0.324 3.996 4.320 -0.000 0.000 0.220 581 A C 2.329 179.712 177.584 -0.334 0.000 1.237 581 A CA 3.106 54.997 52.037 -0.243 0.000 0.660 581 A CB -1.397 17.505 19.000 -0.164 0.000 0.835 581 A HN 0.548 nan 8.150 nan 0.000 0.461 582 T N -0.194 114.087 114.554 -0.456 0.000 2.652 582 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 582 T C 2.011 176.413 174.700 -0.498 0.000 1.039 582 T CA 1.823 63.628 62.100 -0.491 0.000 1.153 582 T CB -0.291 68.165 68.868 -0.687 0.000 0.863 582 T HN 0.328 nan 8.240 nan 0.000 0.428 583 M N 1.369 120.559 119.600 -0.682 0.000 2.084 583 M HA 0.010 4.490 4.480 -0.000 0.000 0.259 583 M C 2.918 179.002 176.300 -0.361 0.000 1.072 583 M CA 1.796 56.759 55.300 -0.562 0.000 1.107 583 M CB -1.777 30.350 32.600 -0.789 0.000 1.299 583 M HN 0.324 nan 8.290 nan 0.000 0.413 584 A N 0.297 122.916 122.820 -0.334 0.000 1.948 584 A HA -0.114 4.206 4.320 -0.000 0.000 0.220 584 A C 2.430 179.886 177.584 -0.214 0.000 1.177 584 A CA 2.274 54.171 52.037 -0.232 0.000 0.636 584 A CB -1.607 17.272 19.000 -0.201 0.000 0.815 584 A HN 0.595 nan 8.150 nan 0.000 0.449 585 G N -0.410 108.246 108.800 -0.241 0.000 2.440 585 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.218 585 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.218 585 G C 1.441 176.226 174.900 -0.191 0.000 1.154 585 G CA 1.324 46.295 45.100 -0.214 0.000 0.767 585 G HN 0.569 nan 8.290 nan 0.000 0.552 586 L N 1.068 122.168 121.223 -0.205 0.000 2.179 586 L HA 0.407 4.747 4.340 -0.000 0.000 0.208 586 L C 2.871 179.648 176.870 -0.155 0.000 1.096 586 L CA 1.768 56.505 54.840 -0.171 0.000 0.779 586 L CB -0.813 41.143 42.059 -0.173 0.000 0.922 586 L HN 0.203 nan 8.230 nan 0.000 0.443 587 A N -0.386 122.335 122.820 -0.165 0.000 1.969 587 A HA 0.156 4.476 4.320 -0.000 0.000 0.218 587 A C 2.044 179.546 177.584 -0.136 0.000 1.169 587 A CA 1.248 53.196 52.037 -0.148 0.000 0.635 587 A CB -0.756 18.156 19.000 -0.147 0.000 0.810 587 A HN 0.508 nan 8.150 nan 0.000 0.445 588 A N -1.050 121.688 122.820 -0.137 0.000 2.545 588 A HA 0.480 4.799 4.320 -0.000 0.000 0.277 588 A C 1.313 178.832 177.584 -0.109 0.000 1.301 588 A CA 0.589 52.551 52.037 -0.125 0.000 0.935 588 A CB -1.134 17.787 19.000 -0.132 0.000 1.093 588 A HN 1.692 nan 8.150 nan 0.000 0.519 589 G N 0.254 108.990 108.800 -0.107 0.000 2.357 589 G HA2 0.069 4.029 3.960 -0.000 0.000 0.282 589 G HA3 0.069 4.029 3.960 -0.000 0.000 0.282 589 G C 0.467 175.329 174.900 -0.063 0.000 0.910 589 G CA 0.495 45.547 45.100 -0.081 0.000 1.267 589 G HN 1.491 nan 8.290 nan 0.000 0.476 590 A N -0.114 122.653 122.820 -0.088 0.000 2.332 590 A HA 0.619 4.939 4.320 -0.000 0.000 0.258 590 A C 1.205 178.759 177.584 -0.051 0.000 1.087 590 A CA 0.626 52.614 52.037 -0.082 0.000 0.802 590 A CB 0.618 19.542 19.000 -0.127 0.000 1.042 590 A HN 0.570 nan 8.150 nan 0.000 0.489 591 D N -0.424 119.969 120.400 -0.011 0.000 2.234 591 D HA 0.314 4.954 4.640 -0.000 0.000 0.205 591 D C 0.362 176.646 176.300 -0.028 0.000 0.962 591 D CA 1.553 55.606 54.000 0.087 0.000 0.855 591 D CB 0.096 41.014 40.800 0.196 0.000 0.951 591 D HN 0.806 nan 8.370 nan 0.000 0.500 592 A N -0.690 122.034 122.820 -0.159 0.000 2.566 592 A HA 0.734 5.054 4.320 -0.000 0.000 0.297 592 A C -1.546 175.758 177.584 -0.467 0.000 1.059 592 A CA -0.301 51.501 52.037 -0.393 0.000 0.691 592 A CB 1.745 20.473 19.000 -0.453 0.000 1.282 592 A HN 0.187 nan 8.150 nan 0.000 0.401 593 A N 1.468 123.947 122.820 -0.569 0.000 2.466 593 A HA 0.644 4.964 4.320 -0.000 0.000 0.291 593 A C -1.381 175.901 177.584 -0.503 0.000 1.234 593 A CA -0.293 51.484 52.037 -0.432 0.000 0.752 593 A CB 0.059 18.880 19.000 -0.299 0.000 1.153 593 A HN 0.770 nan 8.150 nan 0.000 0.458 594 Y N 3.194 123.360 120.300 -0.225 0.000 2.486 594 Y HA 0.419 4.969 4.550 -0.000 0.000 0.348 594 Y C 0.781 176.625 175.900 -0.094 0.000 1.000 594 Y CA 0.119 58.030 58.100 -0.315 0.000 1.253 594 Y CB 0.404 38.491 38.460 -0.622 0.000 1.140 594 Y HN 0.692 nan 8.280 nan 0.000 0.526 595 I N -0.581 120.065 120.570 0.127 0.000 3.023 595 I HA 0.437 4.607 4.170 -0.000 0.000 0.312 595 I C 0.180 176.497 176.117 0.333 0.000 1.056 595 I CA -0.910 60.517 61.300 0.213 0.000 1.033 595 I CB 1.662 39.775 38.000 0.189 0.000 1.233 595 I HN 0.501 nan 8.210 nan 0.000 0.462 596 F N 1.683 121.741 119.950 0.179 0.000 2.074 596 F HA -0.048 4.479 4.527 -0.000 0.000 0.293 596 F C 2.042 177.918 175.800 0.128 0.000 1.116 596 F CA 1.374 59.465 58.000 0.151 0.000 1.212 596 F CB 0.099 39.171 39.000 0.120 0.000 0.998 596 F HN 0.597 nan 8.300 nan 0.000 0.471 597 E N 0.647 121.208 120.200 0.601 0.000 2.492 597 E HA -0.210 4.140 4.350 -0.000 0.000 0.204 597 E C 0.038 176.744 176.600 0.178 0.000 1.073 597 E CA 0.891 57.508 56.400 0.361 0.000 0.887 597 E CB -0.268 29.542 29.700 0.182 0.000 0.813 597 E HN 0.455 nan 8.360 nan 0.000 0.562 598 E N 0.634 120.939 120.200 0.174 0.000 2.621 598 E HA 0.134 4.484 4.350 -0.000 0.000 0.263 598 E C -2.612 174.095 176.600 0.178 0.000 1.033 598 E CA -2.371 54.109 56.400 0.134 0.000 0.778 598 E CB 0.894 30.673 29.700 0.132 0.000 1.426 598 E HN -0.101 nan 8.360 nan 0.000 0.394 599 P HA 0.059 nan 4.420 nan 0.000 0.267 599 P C -0.817 176.613 177.300 0.217 0.000 1.209 599 P CA -0.021 63.118 63.100 0.065 0.000 0.763 599 P CB -0.042 31.599 31.700 -0.098 0.000 0.816 600 F N 0.097 120.069 119.950 0.036 0.000 2.492 600 F HA 0.720 5.246 4.527 -0.000 0.000 0.327 600 F C -0.033 175.825 175.800 0.096 0.000 1.079 600 F CA -1.548 56.517 58.000 0.107 0.000 0.967 600 F CB 1.158 40.283 39.000 0.208 0.000 1.169 600 F HN 0.199 nan 8.300 nan 0.000 0.472 601 T N 3.470 118.155 114.554 0.218 0.000 2.807 601 T HA 0.331 4.680 4.350 -0.000 0.000 0.279 601 T C 0.924 175.775 174.700 0.252 0.000 0.993 601 T CA -0.486 61.708 62.100 0.156 0.000 0.970 601 T CB 0.713 69.634 68.868 0.088 0.000 0.950 601 T HN 0.788 nan 8.240 nan 0.000 0.441 602 I N 5.129 125.881 120.570 0.303 0.000 2.358 602 I HA -0.210 3.960 4.170 -0.000 0.000 0.257 602 I C 2.241 178.424 176.117 0.109 0.000 1.123 602 I CA 1.723 63.092 61.300 0.115 0.000 1.393 602 I CB -0.122 37.920 38.000 0.070 0.000 1.073 602 I HN 0.697 nan 8.210 nan 0.000 0.437 603 R N 0.037 120.606 120.500 0.115 0.000 2.120 603 R HA -0.151 4.189 4.340 -0.000 0.000 0.234 603 R C 1.766 178.128 176.300 0.105 0.000 1.123 603 R CA 1.611 57.764 56.100 0.088 0.000 0.975 603 R CB -0.467 29.878 30.300 0.076 0.000 0.866 603 R HN 0.502 nan 8.270 nan 0.000 0.446 604 D N 0.646 121.137 120.400 0.153 0.000 2.178 604 D HA -0.106 4.534 4.640 -0.000 0.000 0.217 604 D C 1.873 178.295 176.300 0.203 0.000 0.992 604 D CA 0.531 54.644 54.000 0.188 0.000 0.895 604 D CB -0.545 40.408 40.800 0.255 0.000 1.031 604 D HN -0.045 nan 8.370 nan 0.000 0.453 605 L N 1.483 122.856 121.223 0.250 0.000 2.149 605 L HA -0.324 4.016 4.340 -0.000 0.000 0.223 605 L C 2.289 179.221 176.870 0.103 0.000 1.089 605 L CA 1.911 56.872 54.840 0.202 0.000 0.800 605 L CB -0.705 41.428 42.059 0.125 0.000 0.897 605 L HN 0.112 nan 8.230 nan 0.000 0.443 606 Q N -1.442 118.396 119.800 0.064 0.000 1.942 606 Q HA -0.212 4.128 4.340 -0.000 0.000 0.203 606 Q C 2.185 178.200 176.000 0.026 0.000 0.987 606 Q CA 2.100 57.907 55.803 0.007 0.000 0.844 606 Q CB -0.390 28.356 28.738 0.014 0.000 0.911 606 Q HN 0.649 nan 8.270 nan 0.000 0.423 607 A N 0.607 123.467 122.820 0.066 0.000 2.093 607 A HA -0.252 4.068 4.320 -0.000 0.000 0.222 607 A C 1.667 179.323 177.584 0.120 0.000 1.162 607 A CA 1.932 54.013 52.037 0.073 0.000 0.655 607 A CB -0.719 18.329 19.000 0.080 0.000 0.805 607 A HN 0.455 nan 8.150 nan 0.000 0.461 608 N N -0.860 117.955 118.700 0.191 0.000 2.409 608 N HA -0.021 4.719 4.740 -0.000 0.000 0.179 608 N C 1.337 177.003 175.510 0.259 0.000 1.032 608 N CA 1.276 54.521 53.050 0.325 0.000 0.898 608 N CB 0.033 38.786 38.487 0.443 0.000 0.971 608 N HN 0.300 nan 8.380 nan 0.000 0.441 609 V N 0.249 120.180 119.914 0.030 0.000 2.672 609 V HA 0.053 4.173 4.120 -0.000 0.000 0.242 609 V C 0.581 176.676 176.094 0.002 0.000 1.059 609 V CA 0.577 62.800 62.300 -0.129 0.000 1.081 609 V CB -0.176 31.384 31.823 -0.438 0.000 0.752 609 V HN 0.196 nan 8.190 nan 0.000 0.472 610 E N -0.001 120.202 120.200 0.005 0.000 2.975 610 E HA 0.011 4.361 4.350 -0.000 0.000 0.301 610 E C 0.748 177.390 176.600 0.070 0.000 1.554 610 E CA 0.242 56.649 56.400 0.011 0.000 1.716 610 E CB -0.161 29.537 29.700 -0.003 0.000 1.365 610 E HN 0.706 nan 8.360 nan 0.000 0.469 611 H N -1.125 117.919 119.070 -0.042 0.000 1.801 611 H HA 0.018 4.574 4.556 -0.000 0.000 0.144 611 H C 1.165 176.471 175.328 -0.036 0.000 1.031 611 H CA -0.065 55.928 56.048 -0.092 0.000 0.932 611 H CB -0.381 29.266 29.762 -0.192 0.000 0.732 611 H HN 0.211 nan 8.280 nan 0.000 0.326 612 L N 0.985 122.222 121.223 0.024 0.000 2.083 612 L HA 0.009 4.349 4.340 -0.000 0.000 0.209 612 L C 1.706 178.593 176.870 0.029 0.000 1.083 612 L CA 1.706 56.558 54.840 0.019 0.000 0.752 612 L CB -0.729 41.466 42.059 0.226 0.000 0.899 612 L HN 0.307 nan 8.230 nan 0.000 0.433 613 V N -0.537 119.464 119.914 0.144 0.000 2.261 613 V HA -0.295 3.825 4.120 -0.000 0.000 0.246 613 V C 2.551 178.674 176.094 0.048 0.000 1.047 613 V CA 1.778 64.206 62.300 0.212 0.000 1.015 613 V CB -0.641 31.266 31.823 0.140 0.000 0.642 613 V HN 0.526 nan 8.190 nan 0.000 0.446 614 Q N -0.580 119.192 119.800 -0.047 0.000 2.585 614 Q HA -0.204 4.136 4.340 -0.000 0.000 0.219 614 Q C 2.003 177.924 176.000 -0.132 0.000 0.984 614 Q CA 1.472 57.218 55.803 -0.095 0.000 0.915 614 Q CB -0.164 28.496 28.738 -0.129 0.000 0.967 614 Q HN 0.670 nan 8.270 nan 0.000 0.530 615 K N -1.619 118.699 120.400 -0.137 0.000 2.344 615 K HA 0.118 4.438 4.320 -0.000 0.000 0.200 615 K C 1.664 178.240 176.600 -0.041 0.000 1.132 615 K CA -0.110 56.097 56.287 -0.132 0.000 0.935 615 K CB 0.288 32.664 32.500 -0.207 0.000 1.089 615 K HN 0.023 nan 8.250 nan 0.000 0.496 616 M N 1.462 121.068 119.600 0.010 0.000 2.446 616 M HA -0.084 4.396 4.480 -0.000 0.000 0.263 616 M C 1.064 177.419 176.300 0.092 0.000 1.066 616 M CA 1.450 56.790 55.300 0.066 0.000 1.087 616 M CB -0.329 32.379 32.600 0.180 0.000 1.406 616 M HN 0.077 nan 8.290 nan 0.000 0.459 617 K N -0.635 119.801 120.400 0.059 0.000 2.487 617 K HA 0.043 4.363 4.320 -0.000 0.000 0.192 617 K C 0.643 177.248 176.600 0.008 0.000 1.027 617 K CA 0.422 56.729 56.287 0.033 0.000 1.054 617 K CB 0.407 32.912 32.500 0.009 0.000 0.824 617 K HN 0.293 nan 8.250 nan 0.000 0.510 618 T N -2.041 112.514 114.554 0.001 0.000 2.544 618 T HA -0.071 4.279 4.350 -0.000 0.000 0.192 618 T C 1.279 175.981 174.700 0.003 0.000 0.796 618 T CA 0.007 62.104 62.100 -0.005 0.000 1.371 618 T CB -0.362 68.490 68.868 -0.026 0.000 2.042 618 T HN -0.019 nan 8.240 nan 0.000 0.424 619 T N 1.779 116.333 114.554 -0.001 0.000 2.481 619 T HA -0.173 4.177 4.350 -0.000 0.000 0.252 619 T C 1.002 175.718 174.700 0.026 0.000 1.242 619 T CA 2.058 64.170 62.100 0.020 0.000 1.170 619 T CB -0.911 67.975 68.868 0.030 0.000 0.860 619 T HN 0.304 nan 8.240 nan 0.000 0.422 620 V N 3.633 123.559 119.914 0.019 0.000 2.788 620 V HA 0.117 4.237 4.120 -0.000 0.000 0.307 620 V C 1.446 177.550 176.094 0.016 0.000 1.069 620 V CA 0.824 63.135 62.300 0.019 0.000 1.173 620 V CB 1.128 32.952 31.823 0.002 0.000 0.925 620 V HN 0.749 nan 8.190 nan 0.000 0.492 621 K N 3.031 123.443 120.400 0.021 0.000 2.464 621 K HA 0.290 4.610 4.320 -0.000 0.000 0.206 621 K C 0.505 177.123 176.600 0.030 0.000 1.186 621 K CA -0.165 56.139 56.287 0.028 0.000 0.990 621 K CB 0.750 33.270 32.500 0.034 0.000 1.003 621 K HN 0.420 nan 8.250 nan 0.000 0.562 622 R N 0.226 120.745 120.500 0.031 0.000 2.621 622 R HA 0.609 4.949 4.340 -0.000 0.000 0.284 622 R C -1.013 175.309 176.300 0.036 0.000 0.998 622 R CA -0.159 55.986 56.100 0.076 0.000 0.895 622 R CB 2.090 32.460 30.300 0.117 0.000 1.195 622 R HN 0.283 nan 8.270 nan 0.000 0.450 623 G N 1.825 110.643 108.800 0.031 0.000 2.482 623 G HA2 0.580 4.540 3.960 -0.000 0.000 0.317 623 G HA3 0.580 4.540 3.960 -0.000 0.000 0.317 623 G C -1.804 173.135 174.900 0.065 0.000 1.241 623 G CA -0.432 44.654 45.100 -0.023 0.000 0.967 623 G HN 0.418 nan 8.290 nan 0.000 0.482 624 L N 2.185 123.414 121.223 0.009 0.000 2.349 624 L HA 0.686 5.026 4.340 -0.000 0.000 0.278 624 L C -0.801 176.026 176.870 -0.073 0.000 0.996 624 L CA -0.664 54.169 54.840 -0.011 0.000 0.825 624 L CB 2.146 44.178 42.059 -0.047 0.000 1.243 624 L HN 0.282 nan 8.230 nan 0.000 0.412 625 V N 6.467 126.315 119.914 -0.111 0.000 2.380 625 V HA 0.388 4.508 4.120 -0.000 0.000 0.286 625 V C -0.121 175.891 176.094 -0.137 0.000 1.015 625 V CA -0.592 61.597 62.300 -0.184 0.000 0.834 625 V CB 1.422 33.008 31.823 -0.394 0.000 1.009 625 V HN 0.555 nan 8.190 nan 0.000 0.428 626 L N 5.246 126.378 121.223 -0.152 0.000 2.276 626 L HA 0.600 4.940 4.340 -0.000 0.000 0.286 626 L C 0.308 177.129 176.870 -0.082 0.000 1.061 626 L CA -0.212 54.551 54.840 -0.127 0.000 0.807 626 L CB 1.291 43.254 42.059 -0.161 0.000 1.177 626 L HN 0.585 nan 8.230 nan 0.000 0.429 627 R N 3.461 123.949 120.500 -0.020 0.000 2.439 627 R HA 0.200 4.540 4.340 -0.000 0.000 0.310 627 R C -0.513 175.804 176.300 0.028 0.000 0.955 627 R CA -0.791 55.344 56.100 0.058 0.000 0.853 627 R CB 1.342 31.709 30.300 0.112 0.000 1.171 627 R HN 0.575 nan 8.270 nan 0.000 0.449 628 N N 2.903 121.631 118.700 0.047 0.000 2.447 628 N HA -0.125 4.615 4.740 -0.000 0.000 0.263 628 N C 0.739 176.269 175.510 0.033 0.000 1.226 628 N CA 0.468 53.539 53.050 0.034 0.000 0.906 628 N CB 0.978 39.515 38.487 0.083 0.000 1.060 628 N HN 0.720 nan 8.380 nan 0.000 0.468 629 E N 2.381 122.574 120.200 -0.011 0.000 2.492 629 E HA -0.201 4.149 4.350 -0.000 0.000 0.204 629 E C -0.026 176.541 176.600 -0.056 0.000 1.073 629 E CA 1.279 57.663 56.400 -0.027 0.000 0.887 629 E CB -0.067 29.607 29.700 -0.043 0.000 0.813 629 E HN 0.620 nan 8.360 nan 0.000 0.562 630 K N -0.485 119.877 120.400 -0.063 0.000 2.637 630 K HA 0.094 4.414 4.320 -0.000 0.000 0.184 630 K C 1.181 177.812 176.600 0.052 0.000 1.200 630 K CA 0.382 56.585 56.287 -0.141 0.000 1.122 630 K CB 0.173 32.319 32.500 -0.588 0.000 0.926 630 K HN 0.311 nan 8.250 nan 0.000 0.535 631 C N 0.882 120.284 119.300 0.170 0.000 2.401 631 C HA -0.022 4.438 4.460 -0.000 0.000 0.286 631 C C 0.750 175.867 174.990 0.211 0.000 1.332 631 C CA 0.178 59.384 59.018 0.314 0.000 1.795 631 C CB -1.008 26.992 27.740 0.435 0.000 1.922 631 C HN 0.502 nan 8.230 nan 0.000 0.520 632 N N -0.233 118.519 118.700 0.087 0.000 3.270 632 N HA 0.028 4.768 4.740 -0.000 0.000 0.227 632 N C -0.021 175.410 175.510 -0.132 0.000 1.071 632 N CA -0.236 52.723 53.050 -0.153 0.000 1.073 632 N CB 0.618 38.828 38.487 -0.461 0.000 1.633 632 N HN 0.426 nan 8.380 nan 0.000 0.664 633 E N 1.380 121.494 120.200 -0.145 0.000 2.147 633 E HA -0.197 4.153 4.350 -0.000 0.000 0.199 633 E C 0.646 177.177 176.600 -0.114 0.000 1.005 633 E CA 1.455 57.801 56.400 -0.091 0.000 0.810 633 E CB 0.198 29.854 29.700 -0.074 0.000 0.736 633 E HN 0.514 nan 8.360 nan 0.000 0.460 634 N N -0.166 118.384 118.700 -0.250 0.000 2.428 634 N HA -0.037 4.703 4.740 -0.000 0.000 0.181 634 N C 0.355 175.795 175.510 -0.117 0.000 1.028 634 N CA 0.530 53.450 53.050 -0.216 0.000 0.877 634 N CB 0.031 38.294 38.487 -0.374 0.000 1.064 634 N HN 0.220 nan 8.380 nan 0.000 0.434 635 Y N 3.045 123.069 120.300 -0.460 0.000 2.758 635 Y HA 0.002 4.552 4.550 -0.000 0.000 0.351 635 Y C 1.389 177.247 175.900 -0.070 0.000 1.214 635 Y CA -0.800 56.988 58.100 -0.519 0.000 1.983 635 Y CB -0.876 37.312 38.460 -0.454 0.000 2.062 635 Y HN 0.042 nan 8.280 nan 0.000 0.416 636 T N -3.445 111.217 114.554 0.180 0.000 2.652 636 T HA -0.034 4.316 4.350 -0.000 0.000 0.319 636 T C 1.444 176.287 174.700 0.237 0.000 1.029 636 T CA -0.069 62.145 62.100 0.190 0.000 0.990 636 T CB 0.798 69.765 68.868 0.166 0.000 1.098 636 T HN 0.350 nan 8.240 nan 0.000 0.520 637 T N 0.855 115.513 114.554 0.174 0.000 2.569 637 T HA -0.108 4.242 4.350 -0.000 0.000 0.263 637 T C 1.642 176.486 174.700 0.240 0.000 1.074 637 T CA 1.907 64.100 62.100 0.154 0.000 1.176 637 T CB -0.996 67.913 68.868 0.069 0.000 0.863 637 T HN 0.747 nan 8.240 nan 0.000 0.410 638 D N 0.269 120.808 120.400 0.231 0.000 2.220 638 D HA -0.124 4.516 4.640 -0.000 0.000 0.198 638 D C 1.513 178.014 176.300 0.336 0.000 1.001 638 D CA 0.918 55.101 54.000 0.306 0.000 0.875 638 D CB -0.377 40.560 40.800 0.229 0.000 0.921 638 D HN 0.408 nan 8.370 nan 0.000 0.454 639 F N 0.698 120.745 119.950 0.161 0.000 2.053 639 F HA -0.138 4.389 4.527 -0.000 0.000 0.292 639 F C 2.127 178.004 175.800 0.129 0.000 1.125 639 F CA 0.922 58.992 58.000 0.116 0.000 1.193 639 F CB -0.021 39.045 39.000 0.111 0.000 0.996 639 F HN -0.172 nan 8.300 nan 0.000 0.470 640 I N 0.495 121.407 120.570 0.570 0.000 2.185 640 I HA -0.338 3.832 4.170 -0.000 0.000 0.246 640 I C 2.397 178.785 176.117 0.451 0.000 1.088 640 I CA 1.510 63.087 61.300 0.461 0.000 1.347 640 I CB -1.809 36.385 38.000 0.322 0.000 1.041 640 I HN 0.265 nan 8.210 nan 0.000 0.415 641 F N 2.574 122.627 119.950 0.172 0.000 2.000 641 F HA -0.269 4.258 4.527 -0.000 0.000 0.296 641 F C 2.421 178.283 175.800 0.102 0.000 1.159 641 F CA 2.067 60.138 58.000 0.119 0.000 1.183 641 F CB -1.280 37.763 39.000 0.071 0.000 0.959 641 F HN 0.192 nan 8.300 nan 0.000 0.490 642 N N 0.225 118.838 118.700 -0.145 0.000 2.069 642 N HA -0.274 4.466 4.740 -0.000 0.000 0.196 642 N C 1.808 177.157 175.510 -0.269 0.000 1.024 642 N CA 1.430 54.260 53.050 -0.366 0.000 0.869 642 N CB -0.447 37.884 38.487 -0.260 0.000 1.035 642 N HN 0.303 nan 8.380 nan 0.000 0.434 643 L N 0.661 121.744 121.223 -0.234 0.000 1.955 643 L HA -0.194 4.146 4.340 -0.000 0.000 0.213 643 L C 1.799 178.603 176.870 -0.110 0.000 1.072 643 L CA 1.695 56.384 54.840 -0.251 0.000 0.755 643 L CB -1.172 40.722 42.059 -0.276 0.000 0.888 643 L HN 0.153 nan 8.230 nan 0.000 0.432 644 Y N 0.055 120.348 120.300 -0.011 0.000 2.193 644 Y HA -0.274 4.275 4.550 -0.000 0.000 0.285 644 Y C 2.661 178.604 175.900 0.072 0.000 1.166 644 Y CA 1.774 59.941 58.100 0.112 0.000 1.181 644 Y CB -0.717 37.876 38.460 0.222 0.000 0.976 644 Y HN 0.297 nan 8.280 nan 0.000 0.520 645 S N -0.443 115.285 115.700 0.048 0.000 2.406 645 S HA -0.205 4.265 4.470 -0.000 0.000 0.211 645 S C 1.841 176.326 174.600 -0.192 0.000 1.045 645 S CA 1.010 59.140 58.200 -0.117 0.000 1.058 645 S CB -0.480 62.477 63.200 -0.405 0.000 1.044 645 S HN 0.372 nan 8.310 nan 0.000 0.413 646 E N 1.005 121.072 120.200 -0.222 0.000 2.160 646 E HA -0.259 4.091 4.350 -0.000 0.000 0.237 646 E C 1.995 178.465 176.600 -0.216 0.000 1.069 646 E CA 1.446 57.721 56.400 -0.208 0.000 0.950 646 E CB -0.632 28.950 29.700 -0.198 0.000 0.832 646 E HN 0.306 nan 8.360 nan 0.000 0.496 647 E N -0.736 119.344 120.200 -0.200 0.000 2.324 647 E HA -0.188 4.162 4.350 -0.000 0.000 0.205 647 E C 1.520 177.955 176.600 -0.275 0.000 1.031 647 E CA 1.343 57.624 56.400 -0.198 0.000 0.836 647 E CB -0.437 29.156 29.700 -0.178 0.000 0.742 647 E HN 0.378 nan 8.360 nan 0.000 0.491 648 G N -0.027 108.511 108.800 -0.438 0.000 3.774 648 G HA2 0.074 4.034 3.960 -0.000 0.000 0.287 648 G HA3 0.074 4.034 3.960 -0.000 0.000 0.287 648 G C 0.069 174.510 174.900 -0.764 0.000 1.030 648 G CA -0.484 44.068 45.100 -0.914 0.000 0.824 648 G HN -0.074 nan 8.290 nan 0.000 0.518 649 K N 0.726 120.876 120.400 -0.415 0.000 2.489 649 K HA 0.460 4.780 4.320 -0.000 0.000 0.278 649 K C 1.398 177.849 176.600 -0.249 0.000 1.000 649 K CA 1.386 57.504 56.287 -0.282 0.000 1.012 649 K CB 0.835 33.217 32.500 -0.196 0.000 0.903 649 K HN 0.358 nan 8.250 nan 0.000 0.485 650 G N 2.959 111.646 108.800 -0.188 0.000 4.890 650 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.221 650 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.221 650 G C 1.031 175.854 174.900 -0.129 0.000 1.472 650 G CA 0.070 45.090 45.100 -0.134 0.000 0.962 650 G HN 0.436 nan 8.290 nan 0.000 0.671 651 I N 1.681 122.143 120.570 -0.181 0.000 2.194 651 I HA 0.148 4.318 4.170 -0.000 0.000 0.246 651 I C 1.524 177.654 176.117 0.022 0.000 1.093 651 I CA 2.169 63.406 61.300 -0.104 0.000 1.355 651 I CB -1.897 36.032 38.000 -0.118 0.000 1.046 651 I HN 0.600 nan 8.210 nan 0.000 0.413 652 F N -1.663 118.274 119.950 -0.023 0.000 2.745 652 F HA 0.698 5.225 4.527 -0.000 0.000 0.316 652 F C -0.652 175.128 175.800 -0.034 0.000 1.155 652 F CA -1.770 56.217 58.000 -0.022 0.000 0.937 652 F CB 0.616 39.609 39.000 -0.010 0.000 1.361 652 F HN -0.285 nan 8.300 nan 0.000 0.472 653 D N -0.087 120.519 120.400 0.344 0.000 2.487 653 D HA 0.734 5.374 4.640 -0.000 0.000 0.262 653 D C -1.215 175.225 176.300 0.233 0.000 1.130 653 D CA 0.029 54.136 54.000 0.177 0.000 1.038 653 D CB 2.044 42.879 40.800 0.059 0.000 1.142 653 D HN 0.952 nan 8.370 nan 0.000 0.575 654 S N -0.066 115.692 115.700 0.097 0.000 2.556 654 S HA 0.698 5.168 4.470 -0.000 0.000 0.280 654 S C -1.444 173.219 174.600 0.105 0.000 1.141 654 S CA -1.084 57.149 58.200 0.055 0.000 0.883 654 S CB 1.502 64.882 63.200 0.300 0.000 1.103 654 S HN 0.371 nan 8.310 nan 0.000 0.453 655 R N 1.301 121.739 120.500 -0.104 0.000 2.867 655 R HA 0.664 5.004 4.340 -0.000 0.000 0.268 655 R C -1.067 175.061 176.300 -0.286 0.000 1.014 655 R CA -0.916 55.130 56.100 -0.091 0.000 0.946 655 R CB 1.524 31.756 30.300 -0.113 0.000 1.208 655 R HN 0.946 nan 8.270 nan 0.000 0.477 656 K N 0.425 120.514 120.400 -0.518 0.000 2.397 656 K HA 0.507 4.827 4.320 -0.000 0.000 0.253 656 K C -1.109 175.325 176.600 -0.277 0.000 0.932 656 K CA -0.548 55.382 56.287 -0.595 0.000 0.795 656 K CB 1.777 33.539 32.500 -1.230 0.000 1.159 656 K HN 0.498 nan 8.250 nan 0.000 0.424 657 N N 1.700 120.309 118.700 -0.151 0.000 2.321 657 N HA 0.351 5.090 4.740 -0.000 0.000 0.299 657 N C -1.715 173.738 175.510 -0.094 0.000 1.048 657 N CA -0.842 52.156 53.050 -0.088 0.000 0.836 657 N CB 2.277 40.745 38.487 -0.032 0.000 1.269 657 N HN 0.282 nan 8.380 nan 0.000 0.486 658 V N 4.559 124.423 119.914 -0.083 0.000 2.304 658 V HA 0.182 4.302 4.120 -0.000 0.000 0.278 658 V C 1.047 177.088 176.094 -0.087 0.000 1.018 658 V CA -0.374 61.876 62.300 -0.084 0.000 0.814 658 V CB 0.860 32.640 31.823 -0.071 0.000 1.021 658 V HN 0.701 nan 8.190 nan 0.000 0.440 659 L N 3.982 125.144 121.223 -0.101 0.000 2.017 659 L HA 0.165 4.505 4.340 -0.000 0.000 0.208 659 L C 1.692 178.479 176.870 -0.140 0.000 1.073 659 L CA 1.521 56.299 54.840 -0.104 0.000 0.745 659 L CB -0.766 41.230 42.059 -0.105 0.000 0.894 659 L HN 0.863 nan 8.230 nan 0.000 0.432 660 G N -0.381 108.285 108.800 -0.224 0.000 2.601 660 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.252 660 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.252 660 G C -0.390 174.237 174.900 -0.456 0.000 1.294 660 G CA 0.350 45.200 45.100 -0.416 0.000 0.912 660 G HN 0.614 nan 8.290 nan 0.000 0.574 661 H N 0.402 119.470 119.070 -0.005 0.000 2.557 661 H HA 0.472 5.028 4.556 -0.000 0.000 0.236 661 H C 1.295 176.621 175.328 -0.002 0.000 1.676 661 H CA 0.190 56.238 56.048 -0.001 0.000 1.197 661 H CB -0.569 29.196 29.762 0.005 0.000 1.604 661 H HN 0.675 nan 8.280 nan 0.000 0.509 662 M N -0.147 119.473 119.600 0.033 0.000 2.734 662 M HA -0.009 4.471 4.480 -0.000 0.000 0.356 662 M C 0.112 176.433 176.300 0.036 0.000 1.790 662 M CA -0.127 55.187 55.300 0.023 0.000 1.231 662 M CB 0.166 32.762 32.600 -0.006 0.000 2.102 662 M HN 0.261 nan 8.290 nan 0.000 0.463 663 Q N 2.853 122.677 119.800 0.040 0.000 2.380 663 Q HA -0.183 4.157 4.340 -0.000 0.000 0.259 663 Q C -0.006 176.011 176.000 0.028 0.000 1.220 663 Q CA 0.937 56.758 55.803 0.029 0.000 0.896 663 Q CB 0.044 28.790 28.738 0.013 0.000 1.006 663 Q HN 0.778 nan 8.270 nan 0.000 0.302 664 Q N 1.605 121.430 119.800 0.041 0.000 2.452 664 Q HA 0.070 4.410 4.340 -0.000 0.000 0.214 664 Q C 1.025 177.038 176.000 0.023 0.000 0.966 664 Q CA 0.946 56.773 55.803 0.040 0.000 0.964 664 Q CB 0.172 28.946 28.738 0.059 0.000 0.992 664 Q HN 0.616 nan 8.270 nan 0.000 0.517 665 G N -0.376 108.429 108.800 0.009 0.000 3.609 665 G HA2 0.294 4.254 3.960 -0.000 0.000 0.280 665 G HA3 0.294 4.254 3.960 -0.000 0.000 0.280 665 G C 0.896 175.787 174.900 -0.015 0.000 1.155 665 G CA 0.200 45.295 45.100 -0.009 0.000 0.876 665 G HN 0.358 nan 8.290 nan 0.000 0.535 666 G N 0.570 109.368 108.800 -0.003 0.000 2.620 666 G HA2 0.271 4.231 3.960 -0.000 0.000 0.180 666 G HA3 0.271 4.231 3.960 -0.000 0.000 0.180 666 G C 0.427 175.321 174.900 -0.011 0.000 1.545 666 G CA 1.015 46.112 45.100 -0.005 0.000 0.866 666 G HN 0.717 nan 8.290 nan 0.000 0.432 667 S N 0.480 116.180 115.700 0.001 0.000 2.566 667 S HA 0.539 5.009 4.470 -0.000 0.000 0.273 667 S C -3.026 171.582 174.600 0.014 0.000 1.157 667 S CA -1.062 57.136 58.200 -0.003 0.000 0.938 667 S CB 2.206 65.402 63.200 -0.007 0.000 1.087 667 S HN 0.328 nan 8.310 nan 0.000 0.474 668 P HA 0.136 nan 4.420 nan 0.000 0.267 668 P C 0.410 177.718 177.300 0.013 0.000 1.205 668 P CA 0.090 63.204 63.100 0.023 0.000 0.765 668 P CB 0.284 31.991 31.700 0.012 0.000 0.828 669 T N 1.469 116.041 114.554 0.030 0.000 2.726 669 T HA 0.164 4.514 4.350 -0.000 0.000 0.294 669 T C -1.174 173.483 174.700 -0.072 0.000 1.013 669 T CA -1.374 60.701 62.100 -0.042 0.000 0.996 669 T CB -0.069 68.786 68.868 -0.021 0.000 1.016 669 T HN 0.272 nan 8.240 nan 0.000 0.529 670 P HA -0.123 nan 4.420 nan 0.000 0.216 670 P C 1.480 178.756 177.300 -0.040 0.000 1.150 670 P CA 1.175 64.209 63.100 -0.111 0.000 0.837 670 P CB -0.204 31.401 31.700 -0.159 0.000 0.786 671 F N 1.759 121.622 119.950 -0.145 0.000 2.171 671 F HA -0.128 4.399 4.527 -0.000 0.000 0.300 671 F C 1.710 177.491 175.800 -0.033 0.000 1.090 671 F CA 1.594 59.521 58.000 -0.122 0.000 1.293 671 F CB -0.567 38.313 39.000 -0.200 0.000 1.013 671 F HN -0.208 nan 8.300 nan 0.000 0.486 672 D N 0.055 120.455 120.400 -0.001 0.000 2.194 672 D HA -0.071 4.569 4.640 -0.000 0.000 0.204 672 D C 2.268 178.522 176.300 -0.076 0.000 0.964 672 D CA 0.805 54.787 54.000 -0.030 0.000 0.846 672 D CB -0.180 40.687 40.800 0.111 0.000 0.962 672 D HN 0.382 nan 8.370 nan 0.000 0.490 673 R N 0.514 120.974 120.500 -0.067 0.000 2.115 673 R HA -0.034 4.306 4.340 -0.000 0.000 0.226 673 R C 1.882 178.130 176.300 -0.086 0.000 1.100 673 R CA 0.713 56.777 56.100 -0.060 0.000 0.980 673 R CB -0.060 30.214 30.300 -0.043 0.000 0.875 673 R HN 0.053 nan 8.270 nan 0.000 0.445 674 N N 0.477 119.100 118.700 -0.129 0.000 2.092 674 N HA -0.098 4.642 4.740 -0.000 0.000 0.189 674 N C 1.334 176.777 175.510 -0.111 0.000 1.040 674 N CA 1.101 54.080 53.050 -0.118 0.000 0.845 674 N CB -0.297 38.112 38.487 -0.129 0.000 1.017 674 N HN 0.076 nan 8.380 nan 0.000 0.426 675 F N 1.136 120.791 119.950 -0.491 0.000 2.063 675 F HA -0.302 4.225 4.527 -0.000 0.000 0.298 675 F C 2.056 177.702 175.800 -0.256 0.000 1.109 675 F CA 1.339 59.054 58.000 -0.474 0.000 1.212 675 F CB -0.058 38.479 39.000 -0.772 0.000 0.973 675 F HN 0.104 nan 8.300 nan 0.000 0.480 676 A N -1.425 121.284 122.820 -0.185 0.000 2.121 676 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 676 A C 1.996 179.482 177.584 -0.164 0.000 1.154 676 A CA 1.892 53.789 52.037 -0.233 0.000 0.679 676 A CB -0.971 17.948 19.000 -0.135 0.000 0.795 676 A HN 0.453 nan 8.150 nan 0.000 0.458 677 T N -0.864 113.620 114.554 -0.116 0.000 2.852 677 T HA -0.041 4.309 4.350 -0.000 0.000 0.256 677 T C 2.012 176.662 174.700 -0.084 0.000 1.038 677 T CA 1.489 63.537 62.100 -0.088 0.000 1.141 677 T CB -0.098 68.733 68.868 -0.061 0.000 0.869 677 T HN 0.626 nan 8.240 nan 0.000 0.439 678 K N 0.467 120.824 120.400 -0.071 0.000 2.032 678 K HA -0.054 4.266 4.320 -0.000 0.000 0.209 678 K C 2.257 178.817 176.600 -0.066 0.000 1.048 678 K CA 1.433 57.696 56.287 -0.041 0.000 0.927 678 K CB -0.143 32.362 32.500 0.008 0.000 0.712 678 K HN 0.302 nan 8.250 nan 0.000 0.441 679 M N -0.120 119.392 119.600 -0.148 0.000 2.064 679 M HA -0.043 4.437 4.480 -0.000 0.000 0.260 679 M C 2.380 178.608 176.300 -0.120 0.000 1.073 679 M CA 1.696 56.885 55.300 -0.184 0.000 1.124 679 M CB -0.758 31.627 32.600 -0.359 0.000 1.326 679 M HN 0.436 nan 8.290 nan 0.000 0.410 680 G N 0.131 108.851 108.800 -0.134 0.000 2.626 680 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.224 680 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.224 680 G C 1.450 176.324 174.900 -0.043 0.000 1.095 680 G CA 1.535 46.583 45.100 -0.086 0.000 0.738 680 G HN 0.575 nan 8.290 nan 0.000 0.600 681 A N 0.414 123.213 122.820 -0.035 0.000 1.859 681 A HA 0.277 4.597 4.320 -0.000 0.000 0.212 681 A C 2.142 179.760 177.584 0.056 0.000 1.238 681 A CA 1.865 53.900 52.037 -0.004 0.000 0.613 681 A CB -0.461 18.529 19.000 -0.018 0.000 0.904 681 A HN 0.258 nan 8.150 nan 0.000 0.457 682 K N 0.566 121.004 120.400 0.063 0.000 2.148 682 K HA -0.237 4.083 4.320 -0.000 0.000 0.213 682 K C 1.827 178.605 176.600 0.298 0.000 1.050 682 K CA 2.379 58.757 56.287 0.152 0.000 0.932 682 K CB -0.647 31.901 32.500 0.080 0.000 0.717 682 K HN 0.411 nan 8.250 nan 0.000 0.462 683 A N -0.292 122.656 122.820 0.213 0.000 1.872 683 A HA -0.054 4.266 4.320 -0.000 0.000 0.214 683 A C 2.144 179.905 177.584 0.295 0.000 1.187 683 A CA 1.687 53.900 52.037 0.293 0.000 0.614 683 A CB -0.517 18.553 19.000 0.115 0.000 0.826 683 A HN 0.437 nan 8.150 nan 0.000 0.442 684 M N 0.909 120.610 119.600 0.168 0.000 2.539 684 M HA -0.079 4.401 4.480 -0.000 0.000 0.261 684 M C 1.537 177.918 176.300 0.136 0.000 1.069 684 M CA 1.430 56.813 55.300 0.138 0.000 1.081 684 M CB -0.656 31.980 32.600 0.060 0.000 1.412 684 M HN 0.632 nan 8.290 nan 0.000 0.482 685 N N -0.697 118.096 118.700 0.155 0.000 2.258 685 N HA -0.181 4.558 4.740 -0.000 0.000 0.183 685 N C 1.847 177.432 175.510 0.124 0.000 1.029 685 N CA 1.401 54.518 53.050 0.112 0.000 0.857 685 N CB -0.833 37.718 38.487 0.105 0.000 1.008 685 N HN 0.649 nan 8.380 nan 0.000 0.433 686 W N 1.367 122.628 121.300 -0.066 0.000 2.342 686 W HA -0.030 4.630 4.660 -0.000 0.000 0.297 686 W C 2.243 178.643 176.519 -0.198 0.000 1.213 686 W CA 1.245 58.442 57.345 -0.246 0.000 1.251 686 W CB -0.100 28.973 29.460 -0.644 0.000 1.136 686 W HN -0.012 nan 8.180 nan 0.000 0.526 687 M N 0.347 120.134 119.600 0.312 0.000 2.319 687 M HA -0.058 4.422 4.480 -0.000 0.000 0.265 687 M C 2.159 178.418 176.300 -0.069 0.000 1.068 687 M CA 1.539 56.892 55.300 0.088 0.000 1.118 687 M CB -0.811 32.008 32.600 0.366 0.000 1.395 687 M HN 0.237 nan 8.290 nan 0.000 0.435 688 A N -0.123 122.700 122.820 0.004 0.000 1.969 688 A HA 0.013 4.333 4.320 -0.000 0.000 0.218 688 A C 2.165 179.746 177.584 -0.006 0.000 1.169 688 A CA 1.715 53.782 52.037 0.050 0.000 0.635 688 A CB -1.161 17.867 19.000 0.046 0.000 0.810 688 A HN 0.521 nan 8.150 nan 0.000 0.445 689 G N -0.085 108.629 108.800 -0.144 0.000 2.556 689 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.215 689 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.215 689 G C 1.461 176.187 174.900 -0.290 0.000 1.258 689 G CA 0.813 45.790 45.100 -0.205 0.000 0.811 689 G HN 0.346 nan 8.290 nan 0.000 0.557 690 K N 0.267 120.340 120.400 -0.545 0.000 2.318 690 K HA -0.129 4.191 4.320 -0.000 0.000 0.204 690 K C 2.299 178.695 176.600 -0.339 0.000 1.044 690 K CA 0.973 56.931 56.287 -0.548 0.000 0.932 690 K CB -0.355 31.599 32.500 -0.911 0.000 0.734 690 K HN 0.456 nan 8.250 nan 0.000 0.473 691 I N 0.008 120.418 120.570 -0.267 0.000 2.584 691 I HA -0.167 4.003 4.170 -0.000 0.000 0.255 691 I C 2.507 178.409 176.117 -0.358 0.000 1.145 691 I CA 0.558 61.678 61.300 -0.301 0.000 1.462 691 I CB -0.092 37.719 38.000 -0.313 0.000 1.102 691 I HN 0.127 nan 8.210 nan 0.000 0.433 692 K N 1.754 122.081 120.400 -0.121 0.000 1.991 692 K HA -0.226 4.094 4.320 -0.000 0.000 0.207 692 K C 1.973 178.555 176.600 -0.031 0.000 1.045 692 K CA 1.677 57.975 56.287 0.018 0.000 0.937 692 K CB -0.123 32.458 32.500 0.134 0.000 0.720 692 K HN 0.281 nan 8.250 nan 0.000 0.438 693 E N -0.142 120.014 120.200 -0.074 0.000 2.501 693 E HA -0.124 4.226 4.350 -0.000 0.000 0.203 693 E C 0.361 176.923 176.600 -0.062 0.000 1.072 693 E CA 1.126 57.483 56.400 -0.073 0.000 0.885 693 E CB 0.095 29.721 29.700 -0.124 0.000 0.813 693 E HN 0.094 nan 8.360 nan 0.000 0.556 694 S N -0.733 114.925 115.700 -0.070 0.000 2.701 694 S HA 0.088 4.558 4.470 -0.000 0.000 0.242 694 S C -0.726 173.877 174.600 0.004 0.000 1.025 694 S CA -0.632 57.537 58.200 -0.051 0.000 1.016 694 S CB 0.164 63.295 63.200 -0.115 0.000 0.977 694 S HN 0.404 nan 8.310 nan 0.000 0.546 695 Y N 2.793 123.020 120.300 -0.122 0.000 2.365 695 Y HA 0.463 5.013 4.550 -0.000 0.000 0.340 695 Y C 0.940 176.816 175.900 -0.040 0.000 1.016 695 Y CA -0.171 57.869 58.100 -0.101 0.000 1.196 695 Y CB 0.397 38.784 38.460 -0.122 0.000 1.167 695 Y HN 0.004 nan 8.280 nan 0.000 0.509 696 R N 2.740 123.106 120.500 -0.224 0.000 2.171 696 R HA 0.282 4.622 4.340 -0.000 0.000 0.171 696 R C -0.619 175.548 176.300 -0.221 0.000 1.662 696 R CA 0.009 56.036 56.100 -0.122 0.000 1.323 696 R CB 0.395 30.641 30.300 -0.091 0.000 1.180 696 R HN 0.560 nan 8.270 nan 0.000 0.474 697 N N 0.732 119.253 118.700 -0.297 0.000 2.851 697 N HA 0.186 4.926 4.740 -0.000 0.000 0.248 697 N C -0.785 174.536 175.510 -0.314 0.000 1.221 697 N CA 0.516 53.423 53.050 -0.238 0.000 0.847 697 N CB 1.523 39.923 38.487 -0.146 0.000 1.150 697 N HN 0.700 nan 8.380 nan 0.000 0.507 698 G N 1.784 110.302 108.800 -0.470 0.000 2.283 698 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.280 698 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.280 698 G C 0.176 174.876 174.900 -0.334 0.000 1.029 698 G CA 0.458 45.363 45.100 -0.324 0.000 0.840 698 G HN 0.511 nan 8.290 nan 0.000 0.505 699 R N -0.941 119.236 120.500 -0.539 0.000 2.739 699 R HA 0.421 4.761 4.340 -0.000 0.000 0.266 699 R C -0.433 175.685 176.300 -0.303 0.000 1.044 699 R CA -0.675 55.249 56.100 -0.294 0.000 0.885 699 R CB 0.691 30.885 30.300 -0.176 0.000 1.260 699 R HN 0.576 nan 8.270 nan 0.000 0.477 700 I N -0.401 120.094 120.570 -0.126 0.000 2.460 700 I HA 0.594 4.764 4.170 -0.000 0.000 0.298 700 I C -0.626 175.533 176.117 0.071 0.000 0.989 700 I CA -0.832 60.430 61.300 -0.063 0.000 1.173 700 I CB 1.761 39.719 38.000 -0.071 0.000 1.338 700 I HN 0.474 nan 8.210 nan 0.000 0.456 701 F N 5.087 124.968 119.950 -0.115 0.000 2.959 701 F HA 0.678 5.205 4.527 -0.000 0.000 0.379 701 F C -0.498 175.251 175.800 -0.085 0.000 1.215 701 F CA -0.554 57.393 58.000 -0.089 0.000 1.190 701 F CB 0.964 39.913 39.000 -0.086 0.000 1.574 701 F HN 0.649 nan 8.300 nan 0.000 0.575 702 A N 4.010 126.635 122.820 -0.323 0.000 2.269 702 A HA 0.395 4.715 4.320 -0.000 0.000 0.302 702 A C 0.265 177.508 177.584 -0.569 0.000 1.266 702 A CA -0.295 51.535 52.037 -0.345 0.000 0.894 702 A CB 0.201 19.051 19.000 -0.250 0.000 1.147 702 A HN 0.890 nan 8.150 nan 0.000 0.537 703 N N 1.602 119.954 118.700 -0.579 0.000 2.232 703 N HA 0.041 4.781 4.740 -0.000 0.000 0.240 703 N C 0.042 175.396 175.510 -0.261 0.000 1.307 703 N CA 0.163 52.877 53.050 -0.561 0.000 0.859 703 N CB 0.555 38.484 38.487 -0.929 0.000 1.260 703 N HN 0.648 nan 8.380 nan 0.000 0.501 704 T N -0.566 113.867 114.554 -0.203 0.000 2.923 704 T HA 0.451 4.801 4.350 -0.000 0.000 0.281 704 T C -2.052 172.585 174.700 -0.105 0.000 0.995 704 T CA -1.705 60.325 62.100 -0.116 0.000 0.985 704 T CB 1.738 70.549 68.868 -0.094 0.000 1.114 704 T HN -0.121 nan 8.240 nan 0.000 0.548 705 P HA 0.162 nan 4.420 nan 0.000 0.234 705 P C 0.604 177.891 177.300 -0.022 0.000 1.175 705 P CA 0.227 63.305 63.100 -0.036 0.000 0.801 705 P CB 0.196 31.898 31.700 0.003 0.000 0.891 706 D N -0.011 120.382 120.400 -0.012 0.000 2.149 706 D HA -0.143 4.497 4.640 -0.000 0.000 0.198 706 D C 1.636 177.969 176.300 0.055 0.000 0.990 706 D CA 1.634 55.659 54.000 0.041 0.000 0.839 706 D CB -1.026 39.773 40.800 -0.002 0.000 0.948 706 D HN 0.248 nan 8.370 nan 0.000 0.460 707 S N -0.469 115.178 115.700 -0.088 0.000 2.603 707 S HA 0.162 4.632 4.470 -0.000 0.000 0.229 707 S C 1.259 175.697 174.600 -0.270 0.000 0.972 707 S CA 0.130 58.237 58.200 -0.155 0.000 0.935 707 S CB -0.080 62.974 63.200 -0.244 0.000 0.769 707 S HN 0.252 nan 8.310 nan 0.000 0.536 708 G N 0.566 109.167 108.800 -0.331 0.000 3.764 708 G HA2 0.529 4.489 3.960 -0.000 0.000 0.333 708 G HA3 0.529 4.489 3.960 -0.000 0.000 0.333 708 G C -0.493 174.308 174.900 -0.164 0.000 1.551 708 G CA -0.462 44.093 45.100 -0.908 0.000 0.995 708 G HN 0.384 nan 8.290 nan 0.000 0.485 709 C N 0.122 119.438 119.300 0.026 0.000 2.630 709 C HA 0.808 5.268 4.460 -0.000 0.000 0.346 709 C C 0.089 175.167 174.990 0.147 0.000 1.245 709 C CA -0.693 58.403 59.018 0.129 0.000 1.804 709 C CB 1.986 29.765 27.740 0.065 0.000 2.279 709 C HN 0.408 nan 8.230 nan 0.000 0.498 710 V N 2.106 122.054 119.914 0.058 0.000 2.487 710 V HA 0.473 4.593 4.120 -0.000 0.000 0.298 710 V C -0.770 175.210 176.094 -0.190 0.000 1.028 710 V CA -0.319 61.966 62.300 -0.025 0.000 0.860 710 V CB 1.534 33.354 31.823 -0.005 0.000 0.991 710 V HN 0.649 nan 8.190 nan 0.000 0.427 711 L N 5.983 127.005 121.223 -0.336 0.000 2.275 711 L HA 0.957 5.297 4.340 -0.000 0.000 0.288 711 L C 0.231 176.885 176.870 -0.361 0.000 1.046 711 L CA 0.503 54.984 54.840 -0.598 0.000 0.805 711 L CB 0.892 42.421 42.059 -0.882 0.000 1.193 711 L HN 0.699 nan 8.230 nan 0.000 0.426 712 G N 4.513 113.139 108.800 -0.289 0.000 2.684 712 G HA2 0.437 4.397 3.960 -0.000 0.000 0.290 712 G HA3 0.437 4.397 3.960 -0.000 0.000 0.290 712 G C -1.227 173.640 174.900 -0.054 0.000 1.425 712 G CA -0.937 44.087 45.100 -0.126 0.000 0.822 712 G HN 0.408 nan 8.290 nan 0.000 0.482 713 M N 1.382 121.019 119.600 0.062 0.000 2.188 713 M HA 0.392 4.872 4.480 -0.000 0.000 0.354 713 M C -0.254 176.020 176.300 -0.044 0.000 1.342 713 M CA 0.065 55.403 55.300 0.063 0.000 1.117 713 M CB 0.737 33.443 32.600 0.177 0.000 1.670 713 M HN 0.337 nan 8.290 nan 0.000 0.466 714 R N 4.424 124.895 120.500 -0.049 0.000 2.625 714 R HA 0.403 4.743 4.340 -0.000 0.000 0.286 714 R C -0.015 176.249 176.300 -0.060 0.000 1.406 714 R CA -0.558 55.500 56.100 -0.069 0.000 1.052 714 R CB 1.441 31.714 30.300 -0.046 0.000 1.203 714 R HN 0.761 nan 8.270 nan 0.000 0.502 715 K N 0.111 120.452 120.400 -0.098 0.000 1.705 715 K HA -0.315 4.005 4.320 -0.000 0.000 0.508 715 K C 0.923 177.501 176.600 -0.037 0.000 1.840 715 K CA 0.919 57.161 56.287 -0.074 0.000 0.816 715 K CB -0.414 32.060 32.500 -0.043 0.000 1.348 715 K HN 0.498 nan 8.250 nan 0.000 0.681 716 R N 1.008 121.499 120.500 -0.016 0.000 2.371 716 R HA -0.081 4.259 4.340 -0.000 0.000 0.226 716 R C 0.241 176.553 176.300 0.021 0.000 1.132 716 R CA 1.363 57.467 56.100 0.006 0.000 1.027 716 R CB -0.102 30.205 30.300 0.013 0.000 0.848 716 R HN 0.408 nan 8.270 nan 0.000 0.479 717 A N -0.203 122.627 122.820 0.017 0.000 2.556 717 A HA 0.445 4.765 4.320 -0.000 0.000 0.294 717 A C -1.521 176.073 177.584 0.016 0.000 1.091 717 A CA -0.823 51.231 52.037 0.028 0.000 0.704 717 A CB 1.192 20.213 19.000 0.035 0.000 1.300 717 A HN 0.093 nan 8.150 nan 0.000 0.406 718 L N 0.927 122.159 121.223 0.015 0.000 2.417 718 L HA 0.606 4.946 4.340 -0.000 0.000 0.268 718 L C -0.023 176.795 176.870 -0.087 0.000 1.158 718 L CA 0.377 55.192 54.840 -0.042 0.000 0.819 718 L CB 1.464 43.492 42.059 -0.052 0.000 1.112 718 L HN 1.034 nan 8.230 nan 0.000 0.458 719 V N 3.945 123.747 119.914 -0.187 0.000 2.817 719 V HA 0.483 4.603 4.120 -0.000 0.000 0.303 719 V C -1.126 174.813 176.094 -0.259 0.000 1.151 719 V CA -0.707 61.516 62.300 -0.129 0.000 0.929 719 V CB 1.651 33.460 31.823 -0.022 0.000 1.030 719 V HN 0.482 nan 8.190 nan 0.000 0.427 720 F N 4.812 124.709 119.950 -0.089 0.000 2.427 720 F HA 0.672 5.199 4.527 -0.000 0.000 0.352 720 F C 0.781 176.547 175.800 -0.056 0.000 1.100 720 F CA 0.202 58.102 58.000 -0.166 0.000 1.191 720 F CB 1.358 40.203 39.000 -0.259 0.000 1.128 720 F HN 0.564 nan 8.300 nan 0.000 0.533 721 Q N 4.956 124.800 119.800 0.073 0.000 2.331 721 Q HA 0.368 4.708 4.340 -0.000 0.000 0.272 721 Q C -2.816 173.246 176.000 0.104 0.000 1.062 721 Q CA -2.470 53.380 55.803 0.078 0.000 0.806 721 Q CB 2.656 31.407 28.738 0.023 0.000 1.312 721 Q HN 0.264 nan 8.270 nan 0.000 0.431 722 P HA -0.040 nan 4.420 nan 0.000 0.281 722 P C 1.086 178.494 177.300 0.180 0.000 1.252 722 P CA -0.188 62.994 63.100 0.137 0.000 0.778 722 P CB 1.240 33.002 31.700 0.104 0.000 0.895 723 V N 2.124 122.192 119.914 0.257 0.000 2.317 723 V HA -0.309 3.810 4.120 -0.000 0.000 0.251 723 V C 2.275 178.546 176.094 0.294 0.000 1.065 723 V CA 2.900 65.417 62.300 0.362 0.000 1.049 723 V CB -2.887 29.142 31.823 0.344 0.000 0.651 723 V HN 0.627 nan 8.190 nan 0.000 0.450 724 T N -1.657 113.009 114.554 0.186 0.000 2.788 724 T HA -0.209 4.141 4.350 -0.000 0.000 0.268 724 T C 1.770 176.553 174.700 0.137 0.000 1.044 724 T CA 1.709 63.889 62.100 0.133 0.000 1.139 724 T CB -0.699 68.222 68.868 0.087 0.000 0.867 724 T HN 0.656 nan 8.240 nan 0.000 0.454 725 E N 0.708 120.986 120.200 0.130 0.000 2.338 725 E HA 0.039 4.389 4.350 -0.000 0.000 0.197 725 E C 1.909 178.582 176.600 0.122 0.000 1.007 725 E CA 0.681 57.145 56.400 0.107 0.000 0.849 725 E CB -0.195 29.558 29.700 0.089 0.000 0.774 725 E HN 0.570 nan 8.360 nan 0.000 0.506 726 L N 0.271 121.599 121.223 0.176 0.000 2.477 726 L HA -0.029 4.311 4.340 -0.000 0.000 0.220 726 L C 2.290 179.331 176.870 0.285 0.000 1.106 726 L CA 0.101 55.046 54.840 0.174 0.000 0.851 726 L CB -0.101 42.022 42.059 0.107 0.000 0.994 726 L HN 0.035 nan 8.230 nan 0.000 0.462 727 Q N 1.274 121.287 119.800 0.355 0.000 2.118 727 Q HA -0.241 4.099 4.340 -0.000 0.000 0.211 727 Q C 1.342 177.565 176.000 0.372 0.000 0.998 727 Q CA 1.976 58.036 55.803 0.429 0.000 0.872 727 Q CB -0.392 28.469 28.738 0.204 0.000 0.925 727 Q HN 0.686 nan 8.270 nan 0.000 0.414 728 N N -0.149 118.679 118.700 0.213 0.000 2.449 728 N HA -0.094 4.646 4.740 -0.000 0.000 0.191 728 N C 0.551 176.140 175.510 0.131 0.000 1.161 728 N CA 0.421 53.566 53.050 0.158 0.000 0.863 728 N CB 0.220 38.768 38.487 0.101 0.000 0.980 728 N HN 0.350 nan 8.380 nan 0.000 0.458 729 Q N 0.019 119.902 119.800 0.138 0.000 2.179 729 Q HA 0.099 4.439 4.340 -0.000 0.000 0.213 729 Q C -0.348 175.685 176.000 0.055 0.000 0.833 729 Q CA -0.023 55.822 55.803 0.070 0.000 0.990 729 Q CB 0.995 29.754 28.738 0.035 0.000 1.132 729 Q HN 0.336 nan 8.270 nan 0.000 0.493 730 T N -1.256 113.371 114.554 0.122 0.000 2.928 730 T HA 0.120 4.470 4.350 -0.000 0.000 0.296 730 T C -1.335 173.391 174.700 0.044 0.000 1.000 730 T CA -0.906 61.207 62.100 0.023 0.000 0.989 730 T CB 1.654 70.458 68.868 -0.107 0.000 1.005 730 T HN -0.021 nan 8.240 nan 0.000 0.442 731 D N 4.008 124.396 120.400 -0.020 0.000 2.344 731 D HA 0.129 4.769 4.640 -0.000 0.000 0.253 731 D C 0.242 176.486 176.300 -0.094 0.000 1.255 731 D CA -0.637 53.364 54.000 0.002 0.000 0.894 731 D CB 0.075 40.855 40.800 -0.034 0.000 1.067 731 D HN 0.535 nan 8.370 nan 0.000 0.492 732 F N 2.034 122.007 119.950 0.039 0.000 2.615 732 F HA -0.003 4.523 4.527 -0.000 0.000 0.297 732 F C 2.228 177.950 175.800 -0.130 0.000 1.124 732 F CA 0.301 58.343 58.000 0.070 0.000 1.451 732 F CB -0.039 39.028 39.000 0.113 0.000 1.103 732 F HN 0.521 nan 8.300 nan 0.000 0.569 733 E N -0.324 119.787 120.200 -0.147 0.000 2.047 733 E HA -0.200 4.150 4.350 -0.000 0.000 0.191 733 E C 0.901 177.150 176.600 -0.585 0.000 0.987 733 E CA 1.650 57.802 56.400 -0.413 0.000 0.799 733 E CB -0.629 28.658 29.700 -0.689 0.000 0.752 733 E HN 0.418 nan 8.360 nan 0.000 0.449 734 H N 0.629 119.425 119.070 -0.458 0.000 2.520 734 H HA 0.330 4.886 4.556 -0.000 0.000 0.284 734 H C -0.081 174.877 175.328 -0.618 0.000 1.037 734 H CA 0.085 55.652 56.048 -0.803 0.000 1.168 734 H CB 0.194 29.342 29.762 -1.023 0.000 1.497 734 H HN 0.156 nan 8.280 nan 0.000 0.547 735 R N 0.618 120.780 120.500 -0.563 0.000 3.322 735 R HA -0.166 4.174 4.340 -0.000 0.000 0.253 735 R C -0.159 175.520 176.300 -1.035 0.000 0.987 735 R CA 0.810 56.178 56.100 -1.220 0.000 0.666 735 R CB -2.370 27.279 30.300 -1.085 0.000 1.072 735 R HN 0.505 nan 8.270 nan 0.000 0.447 736 I N -4.745 115.501 120.570 -0.541 0.000 3.095 736 I HA 0.760 4.930 4.170 -0.000 0.000 0.310 736 I C -2.614 173.428 176.117 -0.125 0.000 1.196 736 I CA -3.159 57.983 61.300 -0.263 0.000 0.985 736 I CB 2.800 40.695 38.000 -0.175 0.000 1.250 736 I HN -0.266 nan 8.210 nan 0.000 0.446 737 P HA 0.298 nan 4.420 nan 0.000 0.279 737 P C -1.502 175.751 177.300 -0.078 0.000 1.282 737 P CA -0.425 62.636 63.100 -0.065 0.000 0.788 737 P CB 0.781 32.435 31.700 -0.075 0.000 1.139 738 K N 0.555 120.920 120.400 -0.059 0.000 2.164 738 K HA 0.265 4.585 4.320 -0.000 0.000 0.258 738 K C -0.557 175.995 176.600 -0.081 0.000 0.951 738 K CA -0.465 55.793 56.287 -0.050 0.000 0.844 738 K CB 0.755 33.252 32.500 -0.006 0.000 1.099 738 K HN 0.384 nan 8.250 nan 0.000 0.435 739 E N 2.091 122.223 120.200 -0.112 0.000 4.734 739 E HA -0.164 4.186 4.350 -0.000 0.000 0.167 739 E C -1.064 175.411 176.600 -0.208 0.000 1.498 739 E CA 0.630 56.950 56.400 -0.132 0.000 1.080 739 E CB -1.009 28.651 29.700 -0.066 0.000 1.040 739 E HN 0.593 nan 8.360 nan 0.000 0.357 740 Q N 1.873 121.428 119.800 -0.408 0.000 2.271 740 Q HA 0.187 4.527 4.340 -0.000 0.000 0.258 740 Q C 1.610 177.238 176.000 -0.620 0.000 0.936 740 Q CA -0.562 54.819 55.803 -0.704 0.000 0.909 740 Q CB 1.113 29.007 28.738 -1.407 0.000 1.253 740 Q HN 0.660 nan 8.270 nan 0.000 0.440 741 W N 4.235 125.336 121.300 -0.332 0.000 2.358 741 W HA -0.170 4.490 4.660 -0.000 0.000 0.303 741 W C 1.210 177.735 176.519 0.010 0.000 1.208 741 W CA 0.877 58.148 57.345 -0.123 0.000 1.274 741 W CB -0.900 28.532 29.460 -0.047 0.000 1.138 741 W HN 0.843 nan 8.180 nan 0.000 0.515 742 W N 1.305 122.056 121.300 -0.915 0.000 2.468 742 W HA -0.024 4.636 4.660 -0.000 0.000 0.262 742 W C 1.508 177.834 176.519 -0.321 0.000 1.241 742 W CA 0.225 57.051 57.345 -0.864 0.000 1.232 742 W CB -1.520 27.172 29.460 -1.280 0.000 1.124 742 W HN -0.096 nan 8.180 nan 0.000 0.597 743 L N 1.529 122.677 121.223 -0.124 0.000 2.549 743 L HA -0.125 4.215 4.340 -0.000 0.000 0.230 743 L C 2.766 179.669 176.870 0.056 0.000 1.162 743 L CA 1.261 56.096 54.840 -0.008 0.000 0.834 743 L CB -0.593 41.289 42.059 -0.296 0.000 0.947 743 L HN -0.019 nan 8.230 nan 0.000 0.452 744 K N 0.333 120.784 120.400 0.084 0.000 2.296 744 K HA -0.071 4.249 4.320 -0.000 0.000 0.200 744 K C 1.860 178.525 176.600 0.108 0.000 1.048 744 K CA 0.681 57.031 56.287 0.104 0.000 0.966 744 K CB 0.183 32.778 32.500 0.158 0.000 0.754 744 K HN 0.343 nan 8.250 nan 0.000 0.466 745 L N 0.280 121.580 121.223 0.129 0.000 2.209 745 L HA -0.034 4.306 4.340 -0.000 0.000 0.207 745 L C 2.212 179.095 176.870 0.021 0.000 1.094 745 L CA 0.145 55.032 54.840 0.079 0.000 0.790 745 L CB -0.400 41.702 42.059 0.072 0.000 0.932 745 L HN 0.038 nan 8.230 nan 0.000 0.447 746 R N 0.747 121.271 120.500 0.039 0.000 2.191 746 R HA -0.214 4.126 4.340 -0.000 0.000 0.248 746 R C -0.174 176.094 176.300 -0.054 0.000 1.127 746 R CA 2.214 58.308 56.100 -0.010 0.000 0.943 746 R CB -2.495 27.820 30.300 0.026 0.000 0.891 746 R HN 0.375 nan 8.270 nan 0.000 0.439 747 P HA -0.184 nan 4.420 nan 0.000 0.214 747 P C 1.816 179.058 177.300 -0.096 0.000 1.163 747 P CA 1.838 64.906 63.100 -0.053 0.000 0.889 747 P CB -0.440 31.250 31.700 -0.017 0.000 0.790 748 I N -2.123 118.398 120.570 -0.082 0.000 2.208 748 I HA -0.220 3.950 4.170 -0.000 0.000 0.245 748 I C 2.396 178.439 176.117 -0.123 0.000 1.097 748 I CA 1.643 62.875 61.300 -0.113 0.000 1.363 748 I CB -1.365 36.588 38.000 -0.078 0.000 1.051 748 I HN -0.171 nan 8.210 nan 0.000 0.413 749 L N 1.406 122.562 121.223 -0.111 0.000 2.129 749 L HA -0.207 4.133 4.340 -0.000 0.000 0.212 749 L C 2.424 179.206 176.870 -0.146 0.000 1.087 749 L CA 1.862 56.624 54.840 -0.130 0.000 0.757 749 L CB -0.900 41.071 42.059 -0.146 0.000 0.896 749 L HN 0.244 nan 8.230 nan 0.000 0.434 750 K N -0.720 119.578 120.400 -0.169 0.000 2.137 750 K HA -0.016 4.304 4.320 -0.000 0.000 0.202 750 K C 1.987 178.535 176.600 -0.088 0.000 1.052 750 K CA 1.145 57.301 56.287 -0.219 0.000 0.961 750 K CB -0.213 32.136 32.500 -0.252 0.000 0.741 750 K HN 0.449 nan 8.250 nan 0.000 0.452 751 I N 0.421 120.902 120.570 -0.148 0.000 2.546 751 I HA -0.158 4.011 4.170 -0.000 0.000 0.255 751 I C 1.390 177.527 176.117 0.033 0.000 1.163 751 I CA 1.489 62.650 61.300 -0.231 0.000 1.457 751 I CB -0.759 36.737 38.000 -0.840 0.000 1.092 751 I HN 0.101 nan 8.210 nan 0.000 0.434 752 L N 1.337 122.561 121.223 0.001 0.000 2.465 752 L HA 0.031 4.371 4.340 -0.000 0.000 0.224 752 L C 2.435 179.465 176.870 0.267 0.000 1.145 752 L CA 0.883 55.755 54.840 0.054 0.000 0.834 752 L CB -0.565 41.459 42.059 -0.058 0.000 0.944 752 L HN 0.348 nan 8.230 nan 0.000 0.451 753 A N -0.425 122.570 122.820 0.291 0.000 2.308 753 A HA 0.040 4.360 4.320 -0.000 0.000 0.217 753 A C 0.879 178.806 177.584 0.572 0.000 1.216 753 A CA -0.207 52.075 52.037 0.409 0.000 0.864 753 A CB 0.002 19.184 19.000 0.304 0.000 0.902 753 A HN 0.321 nan 8.150 nan 0.000 0.499 754 K N -0.990 119.748 120.400 0.563 0.000 4.823 754 K HA -0.186 4.134 4.320 -0.000 0.000 0.357 754 K C -1.620 175.118 176.600 0.230 0.000 1.055 754 K CA 0.372 56.800 56.287 0.235 0.000 1.110 754 K CB -1.409 30.874 32.500 -0.361 0.000 1.617 754 K HN 0.452 nan 8.250 nan 0.000 0.424 755 Y N 0.712 121.071 120.300 0.097 0.000 2.698 755 Y HA 0.477 5.027 4.550 0.000 0.000 0.332 755 Y C 0.770 176.758 175.900 0.146 0.000 1.119 755 Y CA 0.055 58.154 58.100 -0.001 0.000 1.109 755 Y CB 1.278 39.691 38.460 -0.078 0.000 1.308 755 Y HN 0.598 nan 8.280 nan 0.000 0.499 756 E N 0.000 120.352 120.200 0.254 0.000 2.725 756 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 756 E CA 0.000 56.523 56.400 0.205 0.000 0.976 756 E CB 0.000 29.874 29.700 0.291 0.000 0.812 756 E HN 0.000 nan 8.360 nan 0.000 0.440