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 1yvz_1_A DATA FIRST_RESID 1 DATA SEQUENCE SMSYSWTGAL ITPCSPEEEK LPINPLSNSL LRYHNKVYCT TSKSASLRAK DATA SEQUENCE KVTFDRMQVL DAYYDSVLKD IKLAASKVSA RLLTLEEACQ LTPPHSARSK DATA SEQUENCE YGFGAKEVRS LSGRAVNHIK SVWKDLLEDS QTPIPTTIMA KNEVFCVDPT DATA SEQUENCE KGGKKAARLI VYPDLGVRVC EKMALYDVTQ KLPQAVMGAS YGFQYSPAQR DATA SEQUENCE VEFLLKAWAE KKDPMGFSYD TRCFDSTVTE RDIRTEESIY QACSLPEEAR DATA SEQUENCE TAIHSLTERL YVGGPMFNSK GQSCGYRRCR ASGVLTTSMG NTITCYVKAL DATA SEQUENCE AACKAAGIVA PTMLVcGDDL VVISESQGTE EDERNLRAFT EAMTRYSAPP DATA SEQUENCE GDPPRPEYDL ELITScSSNV SVALGPQGRR RYYLTRDPTT PIARAAWETV DATA SEQUENCE RHSPVNSWLG NIIQYAPTIW VRMVLMTHFF SILMAQDTLD QNLNFEMYGS DATA SEQUENCE VYSVSPLDLP AIIERLHGLD AFSLHTYTPH ELTRVASALR KLGAPPLRAW DATA SEQUENCE KSRARAVRAS LISRGGRAAV CGRYLFNWAV KTKLKLTPLP EARLLDLS 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.556 174.600 -0.073 0.000 1.055 1 S CA 0.000 58.169 58.200 -0.052 0.000 1.107 1 S CB 0.000 63.182 63.200 -0.030 0.000 0.593 2 M N 3.482 123.031 119.600 -0.084 0.000 2.120 2 M HA 0.365 4.848 4.480 0.005 0.000 0.354 2 M C 1.542 177.714 176.300 -0.214 0.000 1.287 2 M CA -0.185 55.052 55.300 -0.106 0.000 1.103 2 M CB 0.647 33.214 32.600 -0.054 0.000 1.623 2 M HN 0.490 nan 8.290 nan 0.000 0.471 3 S N 3.779 119.269 115.700 -0.350 0.000 2.374 3 S HA -0.123 4.350 4.470 0.005 0.000 0.227 3 S C 0.242 174.415 174.600 -0.712 0.000 1.037 3 S CA 1.128 58.987 58.200 -0.568 0.000 1.024 3 S CB -0.213 62.552 63.200 -0.726 0.000 0.861 3 S HN 0.643 nan 8.310 nan 0.000 0.456 4 Y N -0.410 119.744 120.300 -0.244 0.000 2.588 4 Y HA 0.651 5.204 4.550 0.004 0.000 0.343 4 Y C -0.284 175.357 175.900 -0.432 0.000 1.065 4 Y CA -1.051 56.800 58.100 -0.417 0.000 1.038 4 Y CB 2.184 40.270 38.460 -0.624 0.000 1.297 4 Y HN -0.040 nan 8.280 nan 0.000 0.467 5 S N 0.883 116.336 115.700 -0.412 0.000 2.557 5 S HA 0.532 5.004 4.470 0.005 0.000 0.291 5 S C -1.842 172.473 174.600 -0.475 0.000 1.116 5 S CA -0.842 57.191 58.200 -0.278 0.000 0.992 5 S CB 0.741 63.876 63.200 -0.108 0.000 1.028 5 S HN 0.517 nan 8.310 nan 0.000 0.484 6 W N 0.865 122.194 121.300 0.047 0.000 2.666 6 W HA 0.391 5.053 4.660 0.003 0.000 0.334 6 W C 1.442 177.960 176.519 -0.002 0.000 1.051 6 W CA -0.831 56.521 57.345 0.012 0.000 1.224 6 W CB 0.982 30.439 29.460 -0.005 0.000 1.405 6 W HN 0.744 nan 8.180 nan 0.000 0.513 7 T N -2.165 112.516 114.554 0.212 0.000 3.035 7 T HA 0.299 4.651 4.350 0.005 0.000 0.259 7 T C 1.434 176.197 174.700 0.105 0.000 1.078 7 T CA 1.116 63.281 62.100 0.109 0.000 1.132 7 T CB -0.082 68.817 68.868 0.052 0.000 0.900 7 T HN 1.193 nan 8.240 nan 0.000 0.480 8 G N 1.128 110.005 108.800 0.129 0.000 2.316 8 G HA2 0.090 4.053 3.960 0.005 0.000 0.203 8 G HA3 0.090 4.053 3.960 0.005 0.000 0.203 8 G C 0.380 175.304 174.900 0.041 0.000 0.999 8 G CA -0.139 45.001 45.100 0.067 0.000 0.649 8 G HN 1.056 nan 8.290 nan 0.000 0.489 9 A N 1.115 123.970 122.820 0.057 0.000 2.483 9 A HA 0.602 4.925 4.320 0.005 0.000 0.238 9 A C 0.512 178.114 177.584 0.029 0.000 1.070 9 A CA 0.359 52.422 52.037 0.042 0.000 0.770 9 A CB 0.316 19.346 19.000 0.050 0.000 1.008 9 A HN 0.839 nan 8.150 nan 0.000 0.497 10 L N 1.391 122.620 121.223 0.011 0.000 2.439 10 L HA 0.320 4.663 4.340 0.005 0.000 0.261 10 L C 0.483 177.355 176.870 0.004 0.000 1.153 10 L CA 0.022 54.854 54.840 -0.015 0.000 0.808 10 L CB 0.695 42.745 42.059 -0.014 0.000 1.126 10 L HN 0.573 nan 8.230 nan 0.000 0.460 11 I N 1.557 122.114 120.570 -0.022 0.000 2.281 11 I HA 0.132 4.305 4.170 0.005 0.000 0.293 11 I C 0.251 176.377 176.117 0.014 0.000 1.085 11 I CA -0.293 61.011 61.300 0.006 0.000 1.257 11 I CB 0.399 38.383 38.000 -0.026 0.000 1.430 11 I HN 0.653 nan 8.210 nan 0.000 0.489 12 T N 4.971 119.546 114.554 0.035 0.000 2.922 12 T HA 0.536 4.889 4.350 0.005 0.000 0.285 12 T C -2.320 172.409 174.700 0.048 0.000 1.005 12 T CA -1.789 60.333 62.100 0.037 0.000 1.061 12 T CB 1.602 70.494 68.868 0.039 0.000 1.007 12 T HN 0.255 nan 8.240 nan 0.000 0.502 13 P HA 0.338 nan 4.420 nan 0.000 0.279 13 P C -0.010 177.323 177.300 0.056 0.000 1.276 13 P CA -0.710 62.422 63.100 0.055 0.000 0.801 13 P CB 1.244 32.975 31.700 0.051 0.000 1.127 14 C N -0.758 118.579 119.300 0.061 0.000 2.689 14 C HA 0.268 4.730 4.460 0.005 0.000 0.336 14 C C 0.952 175.972 174.990 0.049 0.000 1.304 14 C CA 0.561 59.613 59.018 0.057 0.000 1.860 14 C CB -0.304 27.476 27.740 0.067 0.000 2.405 14 C HN 0.578 nan 8.230 nan 0.000 0.557 15 S N 0.842 116.573 115.700 0.052 0.000 2.632 15 S HA 0.524 4.997 4.470 0.005 0.000 0.289 15 S C -2.848 171.786 174.600 0.055 0.000 1.115 15 S CA -0.432 57.798 58.200 0.051 0.000 0.889 15 S CB 1.619 64.851 63.200 0.053 0.000 1.116 15 S HN 0.263 nan 8.310 nan 0.000 0.486 16 P HA 0.172 nan 4.420 nan 0.000 0.267 16 P C -0.967 176.378 177.300 0.075 0.000 1.209 16 P CA 0.046 63.181 63.100 0.058 0.000 0.763 16 P CB 0.316 32.048 31.700 0.053 0.000 0.816 17 E N 1.555 121.803 120.200 0.080 0.000 2.249 17 E HA 0.227 4.580 4.350 0.005 0.000 0.280 17 E C -0.122 176.554 176.600 0.128 0.000 1.016 17 E CA -0.597 55.864 56.400 0.101 0.000 0.830 17 E CB 1.270 31.023 29.700 0.089 0.000 1.081 17 E HN 0.471 nan 8.360 nan 0.000 0.395 18 E N 2.551 122.860 120.200 0.182 0.000 2.151 18 E HA 0.082 4.435 4.350 0.005 0.000 0.275 18 E C -0.181 176.614 176.600 0.326 0.000 0.936 18 E CA -0.127 56.416 56.400 0.239 0.000 0.777 18 E CB 0.829 30.692 29.700 0.271 0.000 1.108 18 E HN 0.518 nan 8.360 nan 0.000 0.401 19 E N 3.386 123.758 120.200 0.286 0.000 2.364 19 E HA 0.121 4.474 4.350 0.005 0.000 0.196 19 E C -0.274 176.588 176.600 0.437 0.000 0.990 19 E CA 0.408 56.992 56.400 0.307 0.000 0.886 19 E CB 0.620 30.444 29.700 0.207 0.000 0.866 19 E HN 0.312 nan 8.360 nan 0.000 0.493 20 K N 0.841 121.479 120.400 0.397 0.000 2.508 20 K HA 0.430 4.753 4.320 0.005 0.000 0.260 20 K C -0.998 175.655 176.600 0.088 0.000 0.949 20 K CA -0.592 55.896 56.287 0.335 0.000 0.834 20 K CB 2.483 35.111 32.500 0.214 0.000 1.365 20 K HN -0.115 nan 8.250 nan 0.000 0.437 21 L N 3.272 124.454 121.223 -0.069 0.000 2.375 21 L HA 0.262 4.605 4.340 0.005 0.000 0.271 21 L C -1.045 175.782 176.870 -0.071 0.000 1.107 21 L CA -1.534 53.143 54.840 -0.272 0.000 0.806 21 L CB 0.801 42.620 42.059 -0.400 0.000 1.146 21 L HN 0.531 nan 8.230 nan 0.000 0.447 22 P HA -0.038 nan 4.420 nan 0.000 0.219 22 P C 0.111 177.428 177.300 0.029 0.000 1.150 22 P CA 1.249 64.339 63.100 -0.018 0.000 0.814 22 P CB 1.057 32.732 31.700 -0.042 0.000 0.787 23 I N -0.591 119.999 120.570 0.033 0.000 2.680 23 I HA 0.307 4.479 4.170 0.005 0.000 0.291 23 I C -1.579 174.625 176.117 0.146 0.000 1.244 23 I CA -0.940 60.450 61.300 0.149 0.000 1.042 23 I CB 2.295 40.319 38.000 0.039 0.000 1.277 23 I HN -0.303 nan 8.210 nan 0.000 0.423 24 N N 9.193 128.053 118.700 0.265 0.000 2.589 24 N HA 0.371 5.114 4.740 0.005 0.000 0.232 24 N C -2.248 173.324 175.510 0.103 0.000 1.015 24 N CA -1.796 51.297 53.050 0.072 0.000 0.931 24 N CB 1.476 39.926 38.487 -0.060 0.000 1.150 24 N HN 0.378 nan 8.380 nan 0.000 0.512 25 P HA 0.067 nan 4.420 nan 0.000 0.254 25 P C 0.438 177.795 177.300 0.094 0.000 1.631 25 P CA 0.265 63.427 63.100 0.103 0.000 0.861 25 P CB 0.197 31.946 31.700 0.081 0.000 1.663 26 L N -1.430 119.799 121.223 0.010 0.000 3.048 26 L HA 0.209 4.552 4.340 0.005 0.000 0.278 26 L C 1.135 178.012 176.870 0.012 0.000 1.057 26 L CA 0.400 55.196 54.840 -0.073 0.000 1.073 26 L CB 0.024 41.904 42.059 -0.299 0.000 1.802 26 L HN -0.272 nan 8.230 nan 0.000 0.562 27 S N 1.420 117.095 115.700 -0.042 0.000 2.685 27 S HA 0.177 4.649 4.470 0.005 0.000 0.240 27 S C 0.139 174.670 174.600 -0.114 0.000 0.967 27 S CA -0.192 57.967 58.200 -0.069 0.000 1.009 27 S CB -0.691 62.416 63.200 -0.155 0.000 0.776 27 S HN 0.364 nan 8.310 nan 0.000 0.467 28 N N 1.280 119.966 118.700 -0.023 0.000 2.314 28 N HA 0.318 5.061 4.740 0.005 0.000 0.294 28 N C -1.711 173.789 175.510 -0.018 0.000 1.029 28 N CA -0.011 53.064 53.050 0.042 0.000 0.845 28 N CB 1.975 40.570 38.487 0.180 0.000 1.321 28 N HN 0.051 nan 8.380 nan 0.000 0.481 29 S N 4.065 119.753 115.700 -0.021 0.000 2.720 29 S HA 0.291 4.763 4.470 0.005 0.000 0.278 29 S C 0.937 175.514 174.600 -0.037 0.000 1.172 29 S CA -0.504 57.655 58.200 -0.069 0.000 1.019 29 S CB 0.535 63.678 63.200 -0.095 0.000 1.049 29 S HN 0.552 nan 8.310 nan 0.000 0.483 30 L N 4.409 125.608 121.223 -0.041 0.000 2.500 30 L HA -0.315 4.028 4.340 0.005 0.000 0.237 30 L C 1.822 178.677 176.870 -0.025 0.000 1.254 30 L CA 2.591 57.411 54.840 -0.033 0.000 0.793 30 L CB -0.927 41.108 42.059 -0.040 0.000 1.065 30 L HN 0.850 nan 8.230 nan 0.000 0.408 31 L N -1.889 119.318 121.223 -0.027 0.000 2.591 31 L HA 0.057 4.400 4.340 0.005 0.000 0.228 31 L C 0.886 177.740 176.870 -0.027 0.000 1.133 31 L CA -0.026 54.799 54.840 -0.024 0.000 0.880 31 L CB 0.005 42.051 42.059 -0.021 0.000 1.033 31 L HN 0.216 nan 8.230 nan 0.000 0.450 32 R N 0.023 120.505 120.500 -0.030 0.000 2.467 32 R HA 0.225 4.568 4.340 0.005 0.000 0.299 32 R C -1.597 174.642 176.300 -0.101 0.000 1.120 32 R CA -0.553 55.504 56.100 -0.073 0.000 0.940 32 R CB 0.936 31.222 30.300 -0.024 0.000 1.161 32 R HN -0.081 nan 8.270 nan 0.000 0.506 33 Y N 3.819 123.928 120.300 -0.317 0.000 2.409 33 Y HA 0.514 5.066 4.550 0.004 0.000 0.339 33 Y C -1.043 174.572 175.900 -0.476 0.000 1.033 33 Y CA -0.386 57.553 58.100 -0.267 0.000 1.094 33 Y CB 1.115 39.486 38.460 -0.148 0.000 1.210 33 Y HN 0.546 nan 8.280 nan 0.000 0.456 34 H N 3.364 121.974 119.070 -0.766 0.000 2.977 34 H HA 0.337 4.896 4.556 0.005 0.000 0.350 34 H C -1.378 173.544 175.328 -0.677 0.000 1.238 34 H CA -1.080 54.666 56.048 -0.503 0.000 1.124 34 H CB 2.218 31.855 29.762 -0.208 0.000 1.866 34 H HN 0.645 nan 8.280 nan 0.000 0.550 35 N N 0.686 119.322 118.700 -0.107 0.000 2.824 35 N HA 0.121 4.864 4.740 0.005 0.000 0.224 35 N C -0.951 174.601 175.510 0.070 0.000 1.418 35 N CA -0.160 52.864 53.050 -0.043 0.000 0.743 35 N CB 0.409 38.914 38.487 0.031 0.000 1.395 35 N HN 0.258 nan 8.380 nan 0.000 0.548 36 K N 0.188 120.629 120.400 0.068 0.000 2.397 36 K HA 0.322 4.645 4.320 0.005 0.000 0.202 36 K C -0.180 176.536 176.600 0.194 0.000 1.022 36 K CA -0.008 56.342 56.287 0.105 0.000 1.141 36 K CB 0.719 33.248 32.500 0.049 0.000 0.857 36 K HN 0.204 nan 8.250 nan 0.000 0.514 37 V N 1.764 121.803 119.914 0.209 0.000 2.686 37 V HA 0.320 4.443 4.120 0.005 0.000 0.295 37 V C -0.444 175.883 176.094 0.388 0.000 1.057 37 V CA -0.661 61.792 62.300 0.255 0.000 1.012 37 V CB 0.528 32.505 31.823 0.258 0.000 1.006 37 V HN 0.309 nan 8.190 nan 0.000 0.477 38 Y N 1.611 122.017 120.300 0.177 0.000 2.625 38 Y HA 0.762 5.314 4.550 0.004 0.000 0.338 38 Y C -0.782 175.090 175.900 -0.046 0.000 1.123 38 Y CA -1.543 56.648 58.100 0.152 0.000 1.046 38 Y CB 1.286 39.820 38.460 0.123 0.000 1.299 38 Y HN 0.650 nan 8.280 nan 0.000 0.464 39 C N 3.206 122.487 119.300 -0.031 0.000 2.408 39 C HA 0.734 5.197 4.460 0.005 0.000 0.321 39 C C 0.342 175.378 174.990 0.076 0.000 1.245 39 C CA 0.174 59.031 59.018 -0.269 0.000 1.523 39 C CB 0.175 27.584 27.740 -0.551 0.000 2.178 39 C HN 1.106 nan 8.230 nan 0.000 0.488 40 T N 3.368 117.981 114.554 0.098 0.000 2.900 40 T HA 0.581 4.934 4.350 0.005 0.000 0.307 40 T C 0.218 174.978 174.700 0.099 0.000 1.065 40 T CA 0.351 62.555 62.100 0.173 0.000 1.105 40 T CB 0.951 69.931 68.868 0.186 0.000 0.979 40 T HN 1.112 nan 8.240 nan 0.000 0.544 41 T N -1.492 113.119 114.554 0.096 0.000 2.754 41 T HA 0.450 4.803 4.350 0.005 0.000 0.296 41 T C 1.243 175.976 174.700 0.054 0.000 1.205 41 T CA -0.450 61.694 62.100 0.073 0.000 1.009 41 T CB 1.007 69.924 68.868 0.081 0.000 1.368 41 T HN 0.368 nan 8.240 nan 0.000 0.509 42 S N 0.182 115.910 115.700 0.047 0.000 2.407 42 S HA -0.146 4.326 4.470 0.005 0.000 0.235 42 S C 1.856 176.463 174.600 0.011 0.000 1.036 42 S CA 1.574 59.791 58.200 0.029 0.000 1.013 42 S CB -0.575 62.644 63.200 0.031 0.000 0.820 42 S HN 0.685 nan 8.310 nan 0.000 0.476 43 K N 1.159 121.570 120.400 0.020 0.000 2.173 43 K HA -0.123 4.200 4.320 0.005 0.000 0.207 43 K C 1.995 178.589 176.600 -0.009 0.000 1.046 43 K CA 1.657 57.949 56.287 0.007 0.000 0.929 43 K CB -0.285 32.226 32.500 0.019 0.000 0.720 43 K HN 0.550 nan 8.250 nan 0.000 0.453 44 S N -0.866 114.832 115.700 -0.004 0.000 2.557 44 S HA 0.285 4.758 4.470 0.005 0.000 0.223 44 S C 1.729 176.305 174.600 -0.040 0.000 0.969 44 S CA 0.135 58.323 58.200 -0.020 0.000 0.927 44 S CB 0.734 63.933 63.200 -0.002 0.000 0.806 44 S HN 0.240 nan 8.310 nan 0.000 0.489 45 A N 2.481 125.273 122.820 -0.046 0.000 1.908 45 A HA -0.056 4.266 4.320 0.005 0.000 0.218 45 A C 2.378 179.865 177.584 -0.161 0.000 1.181 45 A CA 2.042 54.030 52.037 -0.081 0.000 0.627 45 A CB -1.283 17.675 19.000 -0.070 0.000 0.818 45 A HN 0.552 nan 8.150 nan 0.000 0.445 46 S N -0.331 115.269 115.700 -0.168 0.000 2.382 46 S HA -0.087 4.386 4.470 0.005 0.000 0.228 46 S C 1.793 176.277 174.600 -0.194 0.000 1.027 46 S CA 1.383 59.444 58.200 -0.232 0.000 0.991 46 S CB -0.417 62.679 63.200 -0.174 0.000 0.823 46 S HN 0.506 nan 8.310 nan 0.000 0.469 47 L N 0.733 121.884 121.223 -0.120 0.000 2.056 47 L HA -0.083 4.259 4.340 0.005 0.000 0.207 47 L C 2.689 179.516 176.870 -0.073 0.000 1.078 47 L CA 1.168 55.958 54.840 -0.083 0.000 0.749 47 L CB -0.331 41.695 42.059 -0.056 0.000 0.901 47 L HN 0.183 nan 8.230 nan 0.000 0.433 48 R N 0.678 121.133 120.500 -0.074 0.000 2.081 48 R HA -0.117 4.225 4.340 0.005 0.000 0.235 48 R C 2.202 178.463 176.300 -0.064 0.000 1.131 48 R CA 1.707 57.782 56.100 -0.040 0.000 0.960 48 R CB -0.759 29.526 30.300 -0.024 0.000 0.856 48 R HN 0.291 nan 8.270 nan 0.000 0.436 49 A N 0.931 123.629 122.820 -0.203 0.000 1.892 49 A HA -0.272 4.051 4.320 0.005 0.000 0.218 49 A C 2.095 179.592 177.584 -0.145 0.000 1.188 49 A CA 2.253 54.077 52.037 -0.354 0.000 0.631 49 A CB -0.703 17.730 19.000 -0.946 0.000 0.822 49 A HN 0.408 nan 8.150 nan 0.000 0.447 50 K N 0.191 120.508 120.400 -0.138 0.000 2.032 50 K HA -0.154 4.169 4.320 0.005 0.000 0.209 50 K C 1.899 178.560 176.600 0.103 0.000 1.048 50 K CA 2.193 58.471 56.287 -0.015 0.000 0.927 50 K CB -0.324 32.152 32.500 -0.039 0.000 0.712 50 K HN 0.483 nan 8.250 nan 0.000 0.441 51 K N -0.021 120.431 120.400 0.087 0.000 2.063 51 K HA -0.102 4.221 4.320 0.005 0.000 0.208 51 K C 1.808 178.593 176.600 0.308 0.000 1.048 51 K CA 1.737 58.113 56.287 0.147 0.000 0.928 51 K CB -0.218 32.338 32.500 0.094 0.000 0.713 51 K HN 0.277 nan 8.250 nan 0.000 0.442 52 V N -1.561 118.539 119.914 0.310 0.000 3.623 52 V HA 0.045 4.168 4.120 0.005 0.000 0.271 52 V C 0.381 176.722 176.094 0.411 0.000 1.248 52 V CA 0.281 62.843 62.300 0.438 0.000 1.156 52 V CB -0.079 31.962 31.823 0.363 0.000 0.870 52 V HN -0.022 nan 8.190 nan 0.000 0.453 53 T N 4.429 119.237 114.554 0.424 0.000 2.781 53 T HA 0.706 5.059 4.350 0.005 0.000 0.305 53 T C -0.732 174.161 174.700 0.322 0.000 1.001 53 T CA -0.028 62.290 62.100 0.363 0.000 0.950 53 T CB 0.049 69.227 68.868 0.518 0.000 0.955 53 T HN 0.634 nan 8.240 nan 0.000 0.471 54 F N -0.039 120.014 119.950 0.172 0.000 2.773 54 F HA 0.628 5.158 4.527 0.005 0.000 0.314 54 F C -1.060 174.776 175.800 0.059 0.000 1.160 54 F CA -1.736 56.324 58.000 0.100 0.000 0.920 54 F CB 0.764 39.812 39.000 0.080 0.000 1.323 54 F HN 0.257 nan 8.300 nan 0.000 0.457 55 D N 0.758 121.329 120.400 0.284 0.000 2.304 55 D HA 0.450 5.093 4.640 0.005 0.000 0.250 55 D C -0.885 175.557 176.300 0.238 0.000 1.107 55 D CA -0.000 54.092 54.000 0.154 0.000 0.885 55 D CB 0.867 41.736 40.800 0.114 0.000 1.192 55 D HN 0.579 nan 8.370 nan 0.000 0.436 56 R N 2.947 123.509 120.500 0.104 0.000 2.295 56 R HA 0.393 4.735 4.340 0.005 0.000 0.324 56 R C -0.470 175.864 176.300 0.057 0.000 0.968 56 R CA -0.609 55.561 56.100 0.116 0.000 0.837 56 R CB 1.368 31.689 30.300 0.035 0.000 1.133 56 R HN 0.449 nan 8.270 nan 0.000 0.450 57 M N 3.139 122.774 119.600 0.059 0.000 2.066 57 M HA 0.319 4.802 4.480 0.005 0.000 0.340 57 M C -1.314 174.994 176.300 0.013 0.000 1.053 57 M CA -0.284 55.032 55.300 0.025 0.000 0.983 57 M CB 1.338 33.952 32.600 0.023 0.000 1.520 57 M HN 0.667 nan 8.290 nan 0.000 0.428 58 Q N 3.933 123.732 119.800 -0.003 0.000 2.333 58 Q HA 0.681 5.024 4.340 0.005 0.000 0.267 58 Q C -2.065 173.922 176.000 -0.022 0.000 1.012 58 Q CA -0.517 55.278 55.803 -0.012 0.000 0.824 58 Q CB 2.493 31.210 28.738 -0.035 0.000 1.290 58 Q HN 0.659 nan 8.270 nan 0.000 0.449 59 V N 6.340 126.251 119.914 -0.005 0.000 2.567 59 V HA 0.450 4.573 4.120 0.005 0.000 0.298 59 V C -1.183 174.935 176.094 0.040 0.000 1.047 59 V CA -0.495 61.802 62.300 -0.005 0.000 0.880 59 V CB 1.428 33.251 31.823 0.000 0.000 1.009 59 V HN 0.827 nan 8.190 nan 0.000 0.429 60 L N 5.310 126.510 121.223 -0.038 0.000 2.448 60 L HA 0.777 5.120 4.340 0.005 0.000 0.258 60 L C -0.243 176.674 176.870 0.079 0.000 1.104 60 L CA -0.535 54.265 54.840 -0.066 0.000 0.800 60 L CB 1.450 43.277 42.059 -0.386 0.000 1.241 60 L HN 0.850 nan 8.230 nan 0.000 0.472 61 D N -1.142 119.358 120.400 0.166 0.000 2.752 61 D HA 0.355 4.998 4.640 0.005 0.000 0.313 61 D C 0.225 176.601 176.300 0.125 0.000 1.225 61 D CA -0.245 53.851 54.000 0.160 0.000 0.976 61 D CB 1.053 42.004 40.800 0.251 0.000 1.443 61 D HN 0.414 nan 8.370 nan 0.000 0.515 62 A N -0.896 121.926 122.820 0.002 0.000 1.978 62 A HA -0.134 4.189 4.320 0.005 0.000 0.220 62 A C 1.855 179.389 177.584 -0.083 0.000 1.170 62 A CA 1.276 53.258 52.037 -0.093 0.000 0.636 62 A CB -1.333 17.532 19.000 -0.225 0.000 0.810 62 A HN 0.578 nan 8.150 nan 0.000 0.448 63 Y N -2.302 118.059 120.300 0.102 0.000 2.181 63 Y HA -0.248 4.304 4.550 0.005 0.000 0.288 63 Y C 2.362 178.290 175.900 0.047 0.000 1.146 63 Y CA 1.834 59.986 58.100 0.087 0.000 1.164 63 Y CB -0.598 37.946 38.460 0.140 0.000 0.982 63 Y HN 0.499 nan 8.280 nan 0.000 0.515 64 Y N 1.329 121.666 120.300 0.060 0.000 2.133 64 Y HA -0.252 4.301 4.550 0.004 0.000 0.287 64 Y C 2.027 177.864 175.900 -0.104 0.000 1.134 64 Y CA 1.781 59.779 58.100 -0.170 0.000 1.133 64 Y CB -0.565 37.649 38.460 -0.411 0.000 0.987 64 Y HN 0.063 nan 8.280 nan 0.000 0.502 65 D N -0.479 120.017 120.400 0.161 0.000 2.133 65 D HA -0.252 4.391 4.640 0.005 0.000 0.192 65 D C 2.417 178.687 176.300 -0.051 0.000 1.001 65 D CA 1.751 55.789 54.000 0.063 0.000 0.844 65 D CB -0.795 40.044 40.800 0.065 0.000 0.944 65 D HN 0.371 nan 8.370 nan 0.000 0.447 66 S N -0.274 115.403 115.700 -0.039 0.000 2.353 66 S HA -0.145 4.328 4.470 0.005 0.000 0.222 66 S C 2.170 176.726 174.600 -0.072 0.000 1.035 66 S CA 1.267 59.442 58.200 -0.042 0.000 1.025 66 S CB -0.346 62.845 63.200 -0.016 0.000 0.902 66 S HN 0.080 nan 8.310 nan 0.000 0.440 67 V N 1.986 121.832 119.914 -0.114 0.000 2.407 67 V HA -0.111 4.012 4.120 0.005 0.000 0.248 67 V C 2.407 178.387 176.094 -0.190 0.000 1.055 67 V CA 1.697 63.907 62.300 -0.150 0.000 1.049 67 V CB -0.716 30.982 31.823 -0.209 0.000 0.662 67 V HN 0.485 nan 8.190 nan 0.000 0.455 68 L N 0.435 121.476 121.223 -0.304 0.000 2.083 68 L HA -0.141 4.201 4.340 0.005 0.000 0.209 68 L C 2.360 179.158 176.870 -0.120 0.000 1.083 68 L CA 2.076 56.755 54.840 -0.268 0.000 0.752 68 L CB -0.821 41.031 42.059 -0.344 0.000 0.899 68 L HN 0.281 nan 8.230 nan 0.000 0.433 69 K N -0.804 119.543 120.400 -0.089 0.000 2.057 69 K HA -0.181 4.142 4.320 0.005 0.000 0.206 69 K C 1.696 178.277 176.600 -0.031 0.000 1.050 69 K CA 1.682 57.941 56.287 -0.045 0.000 0.935 69 K CB -0.097 32.383 32.500 -0.034 0.000 0.715 69 K HN 0.327 nan 8.250 nan 0.000 0.439 70 D N 0.846 121.228 120.400 -0.030 0.000 2.117 70 D HA -0.153 4.490 4.640 0.005 0.000 0.197 70 D C 1.905 178.209 176.300 0.006 0.000 0.987 70 D CA 1.125 55.122 54.000 -0.005 0.000 0.829 70 D CB -0.109 40.694 40.800 0.005 0.000 0.961 70 D HN 0.301 nan 8.370 nan 0.000 0.460 71 I N 0.634 121.205 120.570 0.001 0.000 2.394 71 I HA -0.215 3.958 4.170 0.005 0.000 0.251 71 I C 2.143 178.262 176.117 0.003 0.000 1.136 71 I CA 0.990 62.301 61.300 0.019 0.000 1.425 71 I CB -0.049 37.967 38.000 0.026 0.000 1.079 71 I HN -0.041 nan 8.210 nan 0.000 0.425 72 K N 0.483 120.877 120.400 -0.011 0.000 2.155 72 K HA -0.084 4.239 4.320 0.005 0.000 0.203 72 K C 2.135 178.735 176.600 0.001 0.000 1.052 72 K CA 0.872 57.155 56.287 -0.006 0.000 0.948 72 K CB 0.000 32.492 32.500 -0.013 0.000 0.728 72 K HN 0.314 nan 8.250 nan 0.000 0.448 73 L N 0.687 121.909 121.223 -0.000 0.000 2.056 73 L HA -0.153 4.189 4.340 0.005 0.000 0.207 73 L C 2.351 179.224 176.870 0.004 0.000 1.078 73 L CA 1.207 56.048 54.840 0.002 0.000 0.749 73 L CB -0.376 41.685 42.059 0.003 0.000 0.901 73 L HN 0.164 nan 8.230 nan 0.000 0.433 74 A N -0.293 122.531 122.820 0.006 0.000 1.933 74 A HA -0.164 4.159 4.320 0.005 0.000 0.218 74 A C 2.379 179.961 177.584 -0.003 0.000 1.175 74 A CA 1.590 53.629 52.037 0.003 0.000 0.628 74 A CB -0.664 18.340 19.000 0.006 0.000 0.814 74 A HN 0.543 nan 8.150 nan 0.000 0.444 75 A N 0.308 123.130 122.820 0.002 0.000 1.969 75 A HA -0.028 4.295 4.320 0.005 0.000 0.218 75 A C 2.372 179.962 177.584 0.010 0.000 1.169 75 A CA 1.912 53.954 52.037 0.008 0.000 0.635 75 A CB -0.869 18.146 19.000 0.025 0.000 0.810 75 A HN 1.020 nan 8.150 nan 0.000 0.445 76 S N -0.793 114.912 115.700 0.009 0.000 2.507 76 S HA -0.066 4.407 4.470 0.005 0.000 0.235 76 S C 1.430 176.033 174.600 0.005 0.000 0.988 76 S CA 1.366 59.572 58.200 0.009 0.000 0.944 76 S CB -0.165 63.040 63.200 0.007 0.000 0.762 76 S HN 0.331 nan 8.310 nan 0.000 0.526 77 K N 0.960 121.361 120.400 0.001 0.000 2.459 77 K HA 0.360 4.683 4.320 0.005 0.000 0.193 77 K C -0.122 176.474 176.600 -0.007 0.000 1.030 77 K CA -0.054 56.232 56.287 -0.003 0.000 1.026 77 K CB 0.075 32.572 32.500 -0.005 0.000 0.809 77 K HN 0.335 nan 8.250 nan 0.000 0.504 78 V N 1.045 120.955 119.914 -0.007 0.000 2.612 78 V HA 0.389 4.511 4.120 0.005 0.000 0.301 78 V C -0.175 175.917 176.094 -0.005 0.000 1.046 78 V CA -0.910 61.383 62.300 -0.012 0.000 0.946 78 V CB 1.751 33.560 31.823 -0.022 0.000 1.003 78 V HN 0.208 nan 8.190 nan 0.000 0.459 79 S N 2.726 118.422 115.700 -0.007 0.000 2.500 79 S HA 0.941 5.414 4.470 0.005 0.000 0.301 79 S C -0.598 173.999 174.600 -0.005 0.000 1.092 79 S CA -0.346 57.853 58.200 -0.001 0.000 1.030 79 S CB 1.997 65.198 63.200 0.001 0.000 1.031 79 S HN 1.371 nan 8.310 nan 0.000 0.483 80 A N 2.527 125.348 122.820 0.001 0.000 2.515 80 A HA 0.930 5.253 4.320 0.005 0.000 0.296 80 A C -0.421 177.171 177.584 0.014 0.000 1.094 80 A CA -1.267 50.769 52.037 -0.002 0.000 0.718 80 A CB 1.496 20.487 19.000 -0.015 0.000 1.307 80 A HN 1.127 nan 8.150 nan 0.000 0.408 81 R N 0.749 121.259 120.500 0.017 0.000 2.892 81 R HA 0.771 5.114 4.340 0.005 0.000 0.265 81 R C -1.210 175.108 176.300 0.031 0.000 1.025 81 R CA -0.809 55.305 56.100 0.023 0.000 0.982 81 R CB 0.633 30.941 30.300 0.012 0.000 1.185 81 R HN 0.411 nan 8.270 nan 0.000 0.484 82 L N 1.690 122.930 121.223 0.029 0.000 2.461 82 L HA 0.217 4.560 4.340 0.005 0.000 0.272 82 L C 0.030 176.880 176.870 -0.034 0.000 1.197 82 L CA -0.320 54.528 54.840 0.013 0.000 0.836 82 L CB 0.442 42.500 42.059 -0.003 0.000 1.105 82 L HN 0.581 nan 8.230 nan 0.000 0.477 83 L N 1.564 122.747 121.223 -0.067 0.000 2.357 83 L HA 0.355 4.698 4.340 0.005 0.000 0.273 83 L C 0.673 177.439 176.870 -0.174 0.000 1.080 83 L CA 0.249 55.037 54.840 -0.088 0.000 0.803 83 L CB 1.471 43.488 42.059 -0.071 0.000 1.174 83 L HN 0.605 nan 8.230 nan 0.000 0.443 84 T N 2.790 117.253 114.554 -0.151 0.000 2.898 84 T HA 0.096 4.449 4.350 0.005 0.000 0.301 84 T C 1.404 175.980 174.700 -0.208 0.000 1.049 84 T CA 0.026 62.022 62.100 -0.174 0.000 1.095 84 T CB 0.384 69.177 68.868 -0.125 0.000 0.976 84 T HN 0.624 nan 8.240 nan 0.000 0.539 85 L N 2.599 123.683 121.223 -0.232 0.000 2.079 85 L HA -0.089 4.253 4.340 0.005 0.000 0.210 85 L C 2.611 179.384 176.870 -0.161 0.000 1.081 85 L CA 1.717 56.424 54.840 -0.222 0.000 0.752 85 L CB -0.271 41.662 42.059 -0.209 0.000 0.896 85 L HN 0.779 nan 8.230 nan 0.000 0.433 86 E N -0.024 120.092 120.200 -0.140 0.000 2.051 86 E HA -0.273 4.080 4.350 0.005 0.000 0.192 86 E C 1.925 178.451 176.600 -0.123 0.000 0.991 86 E CA 1.690 58.020 56.400 -0.116 0.000 0.799 86 E CB -0.022 29.619 29.700 -0.099 0.000 0.748 86 E HN 0.642 nan 8.360 nan 0.000 0.449 87 E N 0.130 120.249 120.200 -0.135 0.000 2.077 87 E HA -0.185 4.167 4.350 0.005 0.000 0.193 87 E C 2.019 178.505 176.600 -0.190 0.000 0.989 87 E CA 0.991 57.299 56.400 -0.153 0.000 0.800 87 E CB -0.131 29.482 29.700 -0.146 0.000 0.746 87 E HN 0.293 nan 8.360 nan 0.000 0.452 88 A N 0.711 123.423 122.820 -0.180 0.000 1.902 88 A HA -0.189 4.134 4.320 0.005 0.000 0.217 88 A C 2.416 179.918 177.584 -0.137 0.000 1.181 88 A CA 1.177 53.110 52.037 -0.172 0.000 0.623 88 A CB -0.817 18.100 19.000 -0.139 0.000 0.818 88 A HN 0.362 nan 8.150 nan 0.000 0.443 89 C N -1.424 117.806 119.300 -0.115 0.000 2.429 89 C HA -0.093 4.369 4.460 0.005 0.000 0.277 89 C C 2.782 177.714 174.990 -0.097 0.000 1.262 89 C CA 1.337 60.304 59.018 -0.085 0.000 1.733 89 C CB -1.120 26.571 27.740 -0.081 0.000 2.010 89 C HN 0.635 nan 8.230 nan 0.000 0.483 90 Q N 0.311 120.041 119.800 -0.118 0.000 2.291 90 Q HA 0.038 4.381 4.340 0.005 0.000 0.206 90 Q C 1.797 177.709 176.000 -0.146 0.000 0.976 90 Q CA 1.088 56.819 55.803 -0.121 0.000 0.875 90 Q CB -0.368 28.299 28.738 -0.119 0.000 0.927 90 Q HN 0.664 nan 8.270 nan 0.000 0.450 91 L N -0.445 120.667 121.223 -0.186 0.000 2.591 91 L HA 0.089 4.432 4.340 0.005 0.000 0.228 91 L C 0.158 176.935 176.870 -0.156 0.000 1.133 91 L CA 0.031 54.736 54.840 -0.225 0.000 0.880 91 L CB 0.152 41.976 42.059 -0.392 0.000 1.033 91 L HN -0.080 nan 8.230 nan 0.000 0.450 92 T N 3.145 117.630 114.554 -0.114 0.000 2.752 92 T HA 0.173 4.525 4.350 0.005 0.000 0.295 92 T C -2.144 172.504 174.700 -0.086 0.000 0.923 92 T CA -1.061 60.994 62.100 -0.076 0.000 1.112 92 T CB 0.696 69.541 68.868 -0.038 0.000 0.884 92 T HN 0.005 nan 8.240 nan 0.000 0.525 93 P HA 0.070 nan 4.420 nan 0.000 0.268 93 P C -1.758 175.486 177.300 -0.093 0.000 1.208 93 P CA -1.345 61.697 63.100 -0.096 0.000 0.777 93 P CB 0.301 31.942 31.700 -0.098 0.000 0.875 94 P HA -0.171 nan 4.420 nan 0.000 0.216 94 P C 0.372 177.421 177.300 -0.418 0.000 1.150 94 P CA 1.966 64.925 63.100 -0.235 0.000 0.843 94 P CB -0.200 31.384 31.700 -0.194 0.000 0.787 95 H N -1.308 117.731 119.070 -0.052 0.000 2.492 95 H HA 0.213 4.772 4.556 0.004 0.000 0.264 95 H C 0.487 175.782 175.328 -0.055 0.000 1.150 95 H CA -0.395 55.627 56.048 -0.043 0.000 0.962 95 H CB -0.190 29.549 29.762 -0.038 0.000 1.766 95 H HN 0.093 nan 8.280 nan 0.000 0.589 96 S N 0.698 116.399 115.700 0.002 0.000 2.572 96 S HA 0.375 4.848 4.470 0.005 0.000 0.279 96 S C 0.939 175.521 174.600 -0.030 0.000 1.341 96 S CA -0.507 57.672 58.200 -0.034 0.000 1.043 96 S CB 0.948 64.120 63.200 -0.048 0.000 0.887 96 S HN 0.469 nan 8.310 nan 0.000 0.516 97 A N 3.528 126.308 122.820 -0.067 0.000 2.592 97 A HA 0.147 4.470 4.320 0.005 0.000 0.250 97 A C 1.051 178.623 177.584 -0.020 0.000 1.017 97 A CA 0.167 52.180 52.037 -0.041 0.000 0.794 97 A CB -0.598 18.357 19.000 -0.074 0.000 0.917 97 A HN 1.026 nan 8.150 nan 0.000 0.515 98 R N 2.537 123.016 120.500 -0.035 0.000 2.863 98 R HA 0.372 4.714 4.340 0.005 0.000 0.273 98 R C 0.484 176.684 176.300 -0.167 0.000 1.057 98 R CA 0.295 56.333 56.100 -0.103 0.000 1.191 98 R CB 0.242 30.482 30.300 -0.099 0.000 1.104 98 R HN 0.556 nan 8.270 nan 0.000 0.519 99 S N -0.918 114.549 115.700 -0.390 0.000 2.652 99 S HA 0.123 4.596 4.470 0.005 0.000 0.270 99 S C 0.608 174.969 174.600 -0.399 0.000 1.243 99 S CA -0.775 57.158 58.200 -0.446 0.000 0.999 99 S CB 0.873 63.492 63.200 -0.968 0.000 0.973 99 S HN 0.764 nan 8.310 nan 0.000 0.544 100 K N 1.121 121.280 120.400 -0.401 0.000 2.444 100 K HA 0.082 4.405 4.320 0.005 0.000 0.193 100 K C -0.332 175.879 176.600 -0.648 0.000 1.024 100 K CA 0.588 56.580 56.287 -0.491 0.000 1.077 100 K CB -0.201 31.969 32.500 -0.550 0.000 0.833 100 K HN 0.605 nan 8.250 nan 0.000 0.517 101 Y N 1.337 121.427 120.300 -0.349 0.000 2.811 101 Y HA 0.290 4.842 4.550 0.003 0.000 0.330 101 Y C 1.078 176.922 175.900 -0.093 0.000 1.081 101 Y CA -0.215 57.721 58.100 -0.273 0.000 1.408 101 Y CB 0.549 38.697 38.460 -0.521 0.000 1.235 101 Y HN 0.362 nan 8.280 nan 0.000 0.529 102 G N 0.509 109.281 108.800 -0.047 0.000 2.147 102 G HA2 -0.300 3.663 3.960 0.005 0.000 0.244 102 G HA3 -0.300 3.663 3.960 0.005 0.000 0.244 102 G C -0.261 174.757 174.900 0.196 0.000 1.005 102 G CA 0.435 45.577 45.100 0.070 0.000 0.713 102 G HN 0.487 nan 8.290 nan 0.000 0.515 103 F N -2.498 117.446 119.950 -0.010 0.000 2.693 103 F HA 0.811 5.338 4.527 -0.001 0.000 0.309 103 F C 0.242 176.046 175.800 0.005 0.000 1.129 103 F CA -0.982 57.017 58.000 -0.000 0.000 0.948 103 F CB 0.606 39.611 39.000 0.009 0.000 1.315 103 F HN 0.479 nan 8.300 nan 0.000 0.447 104 G N -0.118 108.772 108.800 0.151 0.000 3.016 104 G HA2 0.575 4.538 3.960 0.005 0.000 0.270 104 G HA3 0.575 4.538 3.960 0.005 0.000 0.270 104 G C 0.295 175.271 174.900 0.128 0.000 1.352 104 G CA -0.639 44.489 45.100 0.048 0.000 1.060 104 G HN 1.169 nan 8.290 nan 0.000 0.538 105 A N -0.517 122.325 122.820 0.037 0.000 1.933 105 A HA -0.035 4.288 4.320 0.005 0.000 0.218 105 A C 2.188 179.767 177.584 -0.007 0.000 1.175 105 A CA 2.161 54.207 52.037 0.014 0.000 0.628 105 A CB -0.477 18.489 19.000 -0.057 0.000 0.814 105 A HN 0.543 nan 8.150 nan 0.000 0.444 106 K N -0.218 120.161 120.400 -0.035 0.000 2.032 106 K HA -0.233 4.090 4.320 0.005 0.000 0.209 106 K C 1.754 178.352 176.600 -0.004 0.000 1.048 106 K CA 2.049 58.309 56.287 -0.045 0.000 0.927 106 K CB -0.161 32.312 32.500 -0.045 0.000 0.712 106 K HN 0.460 nan 8.250 nan 0.000 0.441 107 E N 0.073 120.304 120.200 0.051 0.000 2.208 107 E HA -0.085 4.268 4.350 0.005 0.000 0.193 107 E C 1.877 178.484 176.600 0.013 0.000 0.988 107 E CA 0.602 57.029 56.400 0.046 0.000 0.828 107 E CB 0.067 29.832 29.700 0.107 0.000 0.763 107 E HN 0.065 nan 8.360 nan 0.000 0.478 108 V N 0.788 120.740 119.914 0.063 0.000 2.379 108 V HA -0.197 3.925 4.120 0.005 0.000 0.245 108 V C 2.020 178.099 176.094 -0.024 0.000 1.044 108 V CA 1.661 63.975 62.300 0.024 0.000 1.036 108 V CB -0.317 31.566 31.823 0.100 0.000 0.664 108 V HN 0.205 nan 8.190 nan 0.000 0.453 109 R N 0.900 121.383 120.500 -0.028 0.000 2.148 109 R HA -0.082 4.261 4.340 0.005 0.000 0.227 109 R C 2.203 178.471 176.300 -0.054 0.000 1.103 109 R CA 1.566 57.634 56.100 -0.053 0.000 0.983 109 R CB -0.394 29.867 30.300 -0.065 0.000 0.874 109 R HN 0.662 nan 8.270 nan 0.000 0.451 110 S N 0.257 115.929 115.700 -0.046 0.000 2.556 110 S HA 0.144 4.617 4.470 0.005 0.000 0.216 110 S C 0.813 175.381 174.600 -0.053 0.000 0.970 110 S CA -0.346 57.827 58.200 -0.046 0.000 0.912 110 S CB -0.085 63.093 63.200 -0.037 0.000 0.790 110 S HN 0.317 nan 8.310 nan 0.000 0.504 111 L N 1.875 123.060 121.223 -0.063 0.000 3.634 111 L HA -0.176 4.167 4.340 0.005 0.000 0.423 111 L C 0.625 177.446 176.870 -0.083 0.000 1.253 111 L CA 0.192 54.984 54.840 -0.079 0.000 0.885 111 L CB -2.970 39.045 42.059 -0.074 0.000 1.789 111 L HN 0.638 nan 8.230 nan 0.000 0.904 112 S N -0.682 114.968 115.700 -0.084 0.000 2.569 112 S HA 0.330 4.803 4.470 0.005 0.000 0.274 112 S C 1.614 176.150 174.600 -0.106 0.000 1.353 112 S CA 0.082 58.235 58.200 -0.078 0.000 1.023 112 S CB 1.628 64.791 63.200 -0.061 0.000 0.876 112 S HN 0.408 nan 8.310 nan 0.000 0.540 113 G N 1.508 110.260 108.800 -0.079 0.000 2.446 113 G HA2 -0.260 3.702 3.960 0.005 0.000 0.217 113 G HA3 -0.260 3.702 3.960 0.005 0.000 0.217 113 G C 1.443 176.279 174.900 -0.107 0.000 1.168 113 G CA 0.903 45.955 45.100 -0.079 0.000 0.771 113 G HN 0.851 nan 8.290 nan 0.000 0.551 114 R N 0.579 121.014 120.500 -0.107 0.000 2.091 114 R HA -0.016 4.327 4.340 0.005 0.000 0.238 114 R C 2.834 178.936 176.300 -0.331 0.000 1.136 114 R CA 1.662 57.687 56.100 -0.125 0.000 0.959 114 R CB -0.409 29.863 30.300 -0.046 0.000 0.856 114 R HN 0.303 nan 8.270 nan 0.000 0.437 115 A N 0.199 122.691 122.820 -0.546 0.000 1.855 115 A HA -0.087 4.236 4.320 0.005 0.000 0.215 115 A C 2.295 179.577 177.584 -0.503 0.000 1.191 115 A CA 1.528 52.944 52.037 -1.035 0.000 0.613 115 A CB -0.694 17.834 19.000 -0.786 0.000 0.829 115 A HN 0.222 nan 8.150 nan 0.000 0.442 116 V N 1.331 121.076 119.914 -0.282 0.000 2.287 116 V HA -0.304 3.819 4.120 0.005 0.000 0.248 116 V C 2.334 178.346 176.094 -0.137 0.000 1.053 116 V CA 2.246 64.442 62.300 -0.173 0.000 1.027 116 V CB -0.958 30.788 31.823 -0.128 0.000 0.646 116 V HN 0.573 nan 8.190 nan 0.000 0.447 117 N N -0.605 118.024 118.700 -0.119 0.000 2.166 117 N HA -0.196 4.547 4.740 0.005 0.000 0.186 117 N C 1.853 177.329 175.510 -0.057 0.000 1.019 117 N CA 1.827 54.835 53.050 -0.071 0.000 0.856 117 N CB -0.413 38.047 38.487 -0.045 0.000 0.993 117 N HN 0.694 nan 8.380 nan 0.000 0.426 118 H N 1.324 120.301 119.070 -0.155 0.000 2.326 118 H HA 0.114 4.675 4.556 0.008 0.000 0.301 118 H C 2.139 177.428 175.328 -0.065 0.000 1.081 118 H CA 1.318 57.302 56.048 -0.107 0.000 1.334 118 H CB -0.317 29.406 29.762 -0.065 0.000 1.385 118 H HN 0.094 nan 8.280 nan 0.000 0.504 119 I N 0.410 120.887 120.570 -0.154 0.000 2.264 119 I HA -0.283 3.890 4.170 0.005 0.000 0.248 119 I C 2.305 178.376 176.117 -0.078 0.000 1.111 119 I CA 1.503 62.738 61.300 -0.108 0.000 1.382 119 I CB -0.281 37.693 38.000 -0.044 0.000 1.060 119 I HN 0.292 nan 8.210 nan 0.000 0.418 120 K N 0.662 121.018 120.400 -0.074 0.000 2.097 120 K HA -0.148 4.175 4.320 0.005 0.000 0.206 120 K C 2.328 178.933 176.600 0.009 0.000 1.049 120 K CA 1.861 58.143 56.287 -0.010 0.000 0.933 120 K CB -0.200 32.282 32.500 -0.030 0.000 0.717 120 K HN 0.418 nan 8.250 nan 0.000 0.442 121 S N 0.573 116.221 115.700 -0.088 0.000 2.387 121 S HA -0.081 4.392 4.470 0.005 0.000 0.226 121 S C 2.160 176.686 174.600 -0.124 0.000 1.026 121 S CA 0.890 59.031 58.200 -0.099 0.000 0.972 121 S CB -0.530 62.593 63.200 -0.130 0.000 0.814 121 S HN -0.001 nan 8.310 nan 0.000 0.477 122 V N 0.968 120.759 119.914 -0.205 0.000 2.343 122 V HA -0.135 3.988 4.120 0.005 0.000 0.247 122 V C 2.243 178.321 176.094 -0.026 0.000 1.051 122 V CA 1.835 64.041 62.300 -0.158 0.000 1.036 122 V CB -1.022 30.688 31.823 -0.188 0.000 0.654 122 V HN 0.718 nan 8.190 nan 0.000 0.451 123 W N 1.385 122.612 121.300 -0.121 0.000 2.355 123 W HA -0.218 4.444 4.660 0.003 0.000 0.309 123 W C 2.517 178.998 176.519 -0.064 0.000 1.206 123 W CA 2.262 59.562 57.345 -0.075 0.000 1.284 123 W CB -0.131 29.291 29.460 -0.063 0.000 1.145 123 W HN 0.245 nan 8.180 nan 0.000 0.502 124 K N 0.660 121.081 120.400 0.036 0.000 2.097 124 K HA -0.270 4.053 4.320 0.005 0.000 0.206 124 K C 1.720 178.245 176.600 -0.125 0.000 1.049 124 K CA 2.249 58.509 56.287 -0.045 0.000 0.933 124 K CB -0.602 31.902 32.500 0.008 0.000 0.717 124 K HN 0.019 nan 8.250 nan 0.000 0.442 125 D N 0.312 120.642 120.400 -0.116 0.000 2.144 125 D HA -0.146 4.497 4.640 0.005 0.000 0.199 125 D C 1.956 178.158 176.300 -0.164 0.000 0.984 125 D CA 0.960 54.889 54.000 -0.118 0.000 0.834 125 D CB 0.056 40.795 40.800 -0.102 0.000 0.955 125 D HN 0.231 nan 8.370 nan 0.000 0.465 126 L N -0.113 120.964 121.223 -0.244 0.000 2.083 126 L HA -0.111 4.232 4.340 0.005 0.000 0.209 126 L C 2.352 179.029 176.870 -0.323 0.000 1.083 126 L CA 0.626 55.280 54.840 -0.310 0.000 0.752 126 L CB -0.272 41.512 42.059 -0.459 0.000 0.899 126 L HN 0.227 nan 8.230 nan 0.000 0.433 127 L N -0.959 120.044 121.223 -0.367 0.000 2.240 127 L HA -0.116 4.227 4.340 0.005 0.000 0.211 127 L C 2.136 178.918 176.870 -0.147 0.000 1.106 127 L CA 0.941 55.619 54.840 -0.270 0.000 0.793 127 L CB -0.271 41.631 42.059 -0.261 0.000 0.927 127 L HN 0.304 nan 8.230 nan 0.000 0.446 128 E N -1.065 119.059 120.200 -0.127 0.000 2.276 128 E HA -0.029 4.323 4.350 0.005 0.000 0.193 128 E C 0.131 176.691 176.600 -0.066 0.000 0.983 128 E CA 0.131 56.484 56.400 -0.078 0.000 0.861 128 E CB 0.474 30.137 29.700 -0.063 0.000 0.817 128 E HN 0.147 nan 8.360 nan 0.000 0.485 129 D N 0.160 120.510 120.400 -0.083 0.000 2.549 129 D HA 0.080 4.723 4.640 0.005 0.000 0.251 129 D C -0.166 176.085 176.300 -0.082 0.000 1.153 129 D CA -0.403 53.556 54.000 -0.067 0.000 0.861 129 D CB 1.494 42.257 40.800 -0.061 0.000 1.207 129 D HN -0.069 nan 8.370 nan 0.000 0.543 130 S N 2.213 117.877 115.700 -0.062 0.000 2.602 130 S HA 0.157 4.630 4.470 0.005 0.000 0.240 130 S C 0.780 175.320 174.600 -0.100 0.000 0.992 130 S CA -0.176 57.974 58.200 -0.084 0.000 0.971 130 S CB 0.392 63.587 63.200 -0.008 0.000 0.855 130 S HN 0.501 nan 8.310 nan 0.000 0.481 131 Q N 0.556 120.315 119.800 -0.068 0.000 2.527 131 Q HA 0.180 4.522 4.340 0.005 0.000 0.252 131 Q C -0.371 175.607 176.000 -0.036 0.000 0.827 131 Q CA 0.284 56.056 55.803 -0.052 0.000 0.979 131 Q CB 0.241 28.963 28.738 -0.026 0.000 1.248 131 Q HN 0.400 nan 8.270 nan 0.000 0.578 132 T N 5.279 119.815 114.554 -0.030 0.000 2.765 132 T HA 0.085 4.438 4.350 0.005 0.000 0.284 132 T C -2.443 172.253 174.700 -0.007 0.000 0.946 132 T CA -0.688 61.407 62.100 -0.008 0.000 1.185 132 T CB 0.248 69.112 68.868 -0.005 0.000 0.887 132 T HN 0.061 nan 8.240 nan 0.000 0.532 133 P HA 0.119 nan 4.420 nan 0.000 0.265 133 P C -0.229 177.083 177.300 0.020 0.000 1.187 133 P CA -0.072 63.040 63.100 0.021 0.000 0.766 133 P CB 0.557 32.308 31.700 0.085 0.000 0.820 134 I N 5.331 125.896 120.570 -0.009 0.000 2.342 134 I HA 0.200 4.373 4.170 0.005 0.000 0.291 134 I C -1.557 174.580 176.117 0.034 0.000 1.010 134 I CA -2.494 58.809 61.300 0.006 0.000 1.308 134 I CB 1.199 39.185 38.000 -0.024 0.000 1.400 134 I HN 0.191 nan 8.210 nan 0.000 0.488 135 P HA 0.097 nan 4.420 nan 0.000 0.269 135 P C -0.638 176.709 177.300 0.078 0.000 1.209 135 P CA -0.071 63.114 63.100 0.142 0.000 0.776 135 P CB 0.766 32.507 31.700 0.069 0.000 0.876 136 T N -1.683 112.937 114.554 0.110 0.000 2.907 136 T HA 0.491 4.844 4.350 0.005 0.000 0.292 136 T C -0.331 174.352 174.700 -0.028 0.000 1.043 136 T CA -0.669 61.422 62.100 -0.014 0.000 1.003 136 T CB 1.052 69.903 68.868 -0.030 0.000 1.084 136 T HN 0.221 nan 8.240 nan 0.000 0.483 137 T N 2.377 116.747 114.554 -0.306 0.000 2.829 137 T HA 0.595 4.947 4.350 0.005 0.000 0.282 137 T C -0.411 174.122 174.700 -0.279 0.000 0.990 137 T CA -0.609 61.301 62.100 -0.317 0.000 1.028 137 T CB 0.664 69.181 68.868 -0.586 0.000 0.951 137 T HN 0.722 nan 8.240 nan 0.000 0.460 138 I N 3.854 124.396 120.570 -0.047 0.000 2.441 138 I HA 0.661 4.834 4.170 0.005 0.000 0.295 138 I C -1.005 175.172 176.117 0.100 0.000 0.994 138 I CA -0.882 60.449 61.300 0.052 0.000 1.144 138 I CB 0.896 38.957 38.000 0.101 0.000 1.314 138 I HN 0.580 nan 8.210 nan 0.000 0.445 139 M N 5.826 125.516 119.600 0.151 0.000 2.569 139 M HA 0.513 4.996 4.480 0.005 0.000 0.279 139 M C -0.958 175.416 176.300 0.124 0.000 1.253 139 M CA -0.759 54.627 55.300 0.144 0.000 0.867 139 M CB 2.241 34.956 32.600 0.192 0.000 1.727 139 M HN 0.609 nan 8.290 nan 0.000 0.467 140 A N 1.950 124.826 122.820 0.092 0.000 2.328 140 A HA 0.470 4.793 4.320 0.005 0.000 0.284 140 A C -0.481 177.153 177.584 0.085 0.000 1.160 140 A CA -0.299 51.784 52.037 0.077 0.000 0.818 140 A CB 0.402 19.433 19.000 0.053 0.000 1.087 140 A HN 0.761 nan 8.150 nan 0.000 0.504 141 K N 1.731 122.184 120.400 0.087 0.000 2.218 141 K HA 0.155 4.478 4.320 0.005 0.000 0.276 141 K C -0.679 175.956 176.600 0.060 0.000 1.022 141 K CA -0.367 55.967 56.287 0.078 0.000 0.946 141 K CB 0.384 32.939 32.500 0.092 0.000 1.000 141 K HN 0.742 nan 8.250 nan 0.000 0.468 142 N N 3.849 122.565 118.700 0.027 0.000 2.609 142 N HA 0.144 4.887 4.740 0.005 0.000 0.234 142 N C -1.146 174.307 175.510 -0.095 0.000 1.001 142 N CA -0.138 52.903 53.050 -0.016 0.000 0.926 142 N CB 1.197 39.678 38.487 -0.011 0.000 1.130 142 N HN 0.505 nan 8.380 nan 0.000 0.510 143 E N 0.443 120.582 120.200 -0.102 0.000 2.256 143 E HA 0.431 4.784 4.350 0.005 0.000 0.267 143 E C -0.590 175.714 176.600 -0.493 0.000 0.892 143 E CA -0.907 55.333 56.400 -0.267 0.000 0.775 143 E CB 2.597 32.207 29.700 -0.150 0.000 1.207 143 E HN 0.059 nan 8.360 nan 0.000 0.420 144 V N 3.666 123.111 119.914 -0.782 0.000 2.439 144 V HA 0.409 4.532 4.120 0.005 0.000 0.282 144 V C -0.674 174.788 176.094 -1.053 0.000 1.039 144 V CA -0.044 61.736 62.300 -0.866 0.000 0.913 144 V CB -0.008 31.323 31.823 -0.820 0.000 0.983 144 V HN 0.522 nan 8.190 nan 0.000 0.460 145 F N 2.459 121.995 119.950 -0.690 0.000 2.706 145 F HA 0.647 5.177 4.527 0.004 0.000 0.328 145 F C 0.042 175.563 175.800 -0.466 0.000 1.123 145 F CA -0.713 56.955 58.000 -0.554 0.000 0.978 145 F CB 1.423 40.089 39.000 -0.555 0.000 1.404 145 F HN 0.499 nan 8.300 nan 0.000 0.497 146 C N 2.550 121.900 119.300 0.083 0.000 2.382 146 C HA 0.791 5.254 4.460 0.005 0.000 0.327 146 C C -0.262 174.931 174.990 0.338 0.000 1.250 146 C CA -0.778 58.341 59.018 0.168 0.000 1.707 146 C CB 0.025 27.812 27.740 0.078 0.000 2.272 146 C HN 0.697 nan 8.230 nan 0.000 0.506 147 V N 3.522 123.660 119.914 0.374 0.000 2.694 147 V HA 0.286 4.409 4.120 0.005 0.000 0.306 147 V C 0.095 176.254 176.094 0.108 0.000 1.054 147 V CA 0.635 63.070 62.300 0.225 0.000 1.161 147 V CB 0.785 32.657 31.823 0.082 0.000 0.916 147 V HN 0.893 nan 8.190 nan 0.000 0.490 148 D N 4.787 125.224 120.400 0.061 0.000 2.441 148 D HA 0.426 5.069 4.640 0.005 0.000 0.287 148 D C -1.665 174.630 176.300 -0.008 0.000 1.198 148 D CA -1.994 52.018 54.000 0.020 0.000 0.894 148 D CB 1.637 42.447 40.800 0.017 0.000 1.070 148 D HN 0.344 nan 8.370 nan 0.000 0.499 149 P HA -0.242 nan 4.420 nan 0.000 0.220 149 P C 1.455 178.740 177.300 -0.025 0.000 1.155 149 P CA 2.044 65.129 63.100 -0.026 0.000 0.880 149 P CB 0.190 31.875 31.700 -0.025 0.000 0.790 150 T N -2.958 111.583 114.554 -0.023 0.000 2.668 150 T HA -0.091 4.262 4.350 0.005 0.000 0.262 150 T C 1.714 176.400 174.700 -0.023 0.000 1.045 150 T CA 0.954 63.041 62.100 -0.022 0.000 1.152 150 T CB -0.789 68.066 68.868 -0.021 0.000 0.864 150 T HN -0.038 nan 8.240 nan 0.000 0.419 151 K N 2.072 122.458 120.400 -0.023 0.000 2.360 151 K HA 0.256 4.579 4.320 0.005 0.000 0.201 151 K C 1.394 177.975 176.600 -0.031 0.000 1.046 151 K CA 0.858 57.130 56.287 -0.025 0.000 0.945 151 K CB -0.555 31.931 32.500 -0.025 0.000 0.750 151 K HN 0.747 nan 8.250 nan 0.000 0.464 152 G N -1.134 107.646 108.800 -0.033 0.000 2.357 152 G HA2 0.159 4.122 3.960 0.005 0.000 0.289 152 G HA3 0.159 4.122 3.960 0.005 0.000 0.289 152 G C -0.298 174.569 174.900 -0.055 0.000 1.302 152 G CA -0.621 44.453 45.100 -0.042 0.000 0.936 152 G HN 0.249 nan 8.290 nan 0.000 0.513 153 G N -0.678 108.080 108.800 -0.069 0.000 2.621 153 G HA2 0.534 4.497 3.960 0.005 0.000 0.271 153 G HA3 0.534 4.497 3.960 0.005 0.000 0.271 153 G C 0.160 174.978 174.900 -0.136 0.000 1.236 153 G CA -0.410 44.629 45.100 -0.102 0.000 0.958 153 G HN 0.685 nan 8.290 nan 0.000 0.512 154 K N 0.350 120.605 120.400 -0.242 0.000 2.414 154 K HA 0.071 4.394 4.320 0.005 0.000 0.272 154 K C 0.105 176.624 176.600 -0.136 0.000 0.993 154 K CA 0.391 56.454 56.287 -0.374 0.000 0.964 154 K CB 0.682 32.706 32.500 -0.794 0.000 0.925 154 K HN 0.328 nan 8.250 nan 0.000 0.487 155 K N 1.182 121.579 120.400 -0.006 0.000 2.270 155 K HA 0.169 4.492 4.320 0.005 0.000 0.276 155 K C -0.011 176.585 176.600 -0.006 0.000 1.023 155 K CA -0.468 55.774 56.287 -0.075 0.000 0.955 155 K CB 0.997 33.317 32.500 -0.300 0.000 0.975 155 K HN 0.610 nan 8.250 nan 0.000 0.471 156 A N 1.882 124.686 122.820 -0.026 0.000 2.351 156 A HA 0.454 4.777 4.320 0.005 0.000 0.257 156 A C 0.031 177.631 177.584 0.027 0.000 1.087 156 A CA -0.427 51.611 52.037 0.002 0.000 0.798 156 A CB 0.359 19.350 19.000 -0.015 0.000 1.033 156 A HN 0.803 nan 8.150 nan 0.000 0.488 157 A N 2.039 124.890 122.820 0.051 0.000 2.498 157 A HA 0.390 4.712 4.320 0.005 0.000 0.239 157 A C 0.766 178.390 177.584 0.067 0.000 1.068 157 A CA -0.032 52.050 52.037 0.076 0.000 0.766 157 A CB 0.017 19.059 19.000 0.071 0.000 1.003 157 A HN 0.854 nan 8.150 nan 0.000 0.497 158 R N 0.438 120.996 120.500 0.096 0.000 2.582 158 R HA 0.425 4.768 4.340 0.005 0.000 0.271 158 R C -0.793 175.567 176.300 0.100 0.000 1.078 158 R CA -0.226 55.935 56.100 0.102 0.000 1.127 158 R CB 0.445 30.821 30.300 0.127 0.000 1.038 158 R HN 0.656 nan 8.270 nan 0.000 0.500 159 L N 3.075 124.363 121.223 0.108 0.000 2.307 159 L HA 0.443 4.786 4.340 0.005 0.000 0.284 159 L C -0.411 176.551 176.870 0.154 0.000 1.023 159 L CA -0.887 54.021 54.840 0.113 0.000 0.810 159 L CB 1.422 43.533 42.059 0.087 0.000 1.231 159 L HN 0.428 nan 8.230 nan 0.000 0.423 160 I N 3.730 124.405 120.570 0.176 0.000 2.404 160 I HA 0.476 4.649 4.170 0.005 0.000 0.293 160 I C -0.707 175.574 176.117 0.274 0.000 0.992 160 I CA -0.330 61.107 61.300 0.228 0.000 1.149 160 I CB 1.784 39.921 38.000 0.229 0.000 1.315 160 I HN 0.191 nan 8.210 nan 0.000 0.446 161 V N 9.258 129.334 119.914 0.270 0.000 2.444 161 V HA 0.556 4.679 4.120 0.005 0.000 0.294 161 V C -1.089 175.166 176.094 0.268 0.000 1.022 161 V CA -0.545 61.873 62.300 0.198 0.000 0.850 161 V CB 1.109 33.026 31.823 0.157 0.000 0.992 161 V HN 0.680 nan 8.190 nan 0.000 0.426 162 Y N 4.595 124.958 120.300 0.105 0.000 2.571 162 Y HA 0.906 5.458 4.550 0.003 0.000 0.341 162 Y C -3.189 172.769 175.900 0.096 0.000 1.076 162 Y CA -2.685 55.476 58.100 0.102 0.000 1.029 162 Y CB 1.998 40.511 38.460 0.090 0.000 1.308 162 Y HN 0.420 nan 8.280 nan 0.000 0.461 163 P HA 0.181 nan 4.420 nan 0.000 0.284 163 P C -1.003 176.418 177.300 0.201 0.000 1.287 163 P CA -0.256 62.913 63.100 0.115 0.000 0.824 163 P CB 1.623 33.397 31.700 0.123 0.000 1.180 164 D N -0.701 119.791 120.400 0.152 0.000 2.419 164 D HA -0.070 4.573 4.640 0.005 0.000 0.236 164 D C 1.364 177.785 176.300 0.202 0.000 1.165 164 D CA -0.222 53.886 54.000 0.180 0.000 0.882 164 D CB 0.273 41.204 40.800 0.219 0.000 1.201 164 D HN 0.105 nan 8.370 nan 0.000 0.443 165 L N 3.570 124.887 121.223 0.157 0.000 2.051 165 L HA -0.056 4.287 4.340 0.005 0.000 0.214 165 L C 2.066 179.078 176.870 0.237 0.000 1.076 165 L CA 2.633 57.563 54.840 0.149 0.000 0.758 165 L CB -1.114 40.975 42.059 0.050 0.000 0.890 165 L HN 0.662 nan 8.230 nan 0.000 0.433 166 G N -1.433 107.569 108.800 0.336 0.000 2.422 166 G HA2 -0.190 3.773 3.960 0.005 0.000 0.218 166 G HA3 -0.190 3.773 3.960 0.005 0.000 0.218 166 G C 1.498 176.532 174.900 0.223 0.000 1.146 166 G CA 1.047 46.387 45.100 0.401 0.000 0.769 166 G HN 0.377 nan 8.290 nan 0.000 0.547 167 V N 0.560 120.591 119.914 0.196 0.000 2.453 167 V HA -0.088 4.034 4.120 0.005 0.000 0.247 167 V C 2.876 179.066 176.094 0.160 0.000 1.048 167 V CA 1.515 63.903 62.300 0.146 0.000 1.049 167 V CB -0.393 31.501 31.823 0.119 0.000 0.672 167 V HN 0.311 nan 8.190 nan 0.000 0.457 168 R N -0.095 120.507 120.500 0.171 0.000 2.091 168 R HA -0.129 4.213 4.340 0.005 0.000 0.238 168 R C 2.238 178.622 176.300 0.139 0.000 1.136 168 R CA 1.505 57.700 56.100 0.159 0.000 0.959 168 R CB -0.685 29.702 30.300 0.144 0.000 0.856 168 R HN 0.419 nan 8.270 nan 0.000 0.437 169 V N 0.523 120.516 119.914 0.131 0.000 2.358 169 V HA -0.279 3.844 4.120 0.005 0.000 0.246 169 V C 2.505 178.658 176.094 0.098 0.000 1.047 169 V CA 1.528 63.882 62.300 0.088 0.000 1.035 169 V CB -0.481 31.391 31.823 0.081 0.000 0.658 169 V HN 0.442 nan 8.190 nan 0.000 0.452 170 C N -0.123 119.276 119.300 0.165 0.000 2.422 170 C HA -0.129 4.334 4.460 0.005 0.000 0.279 170 C C 2.642 177.829 174.990 0.329 0.000 1.305 170 C CA 0.785 59.980 59.018 0.295 0.000 1.757 170 C CB -1.030 26.946 27.740 0.394 0.000 1.962 170 C HN 0.620 nan 8.230 nan 0.000 0.499 171 E N 0.828 121.171 120.200 0.238 0.000 2.077 171 E HA -0.206 4.147 4.350 0.005 0.000 0.193 171 E C 2.179 178.912 176.600 0.221 0.000 0.989 171 E CA 1.116 57.665 56.400 0.248 0.000 0.800 171 E CB -0.122 29.728 29.700 0.250 0.000 0.746 171 E HN 0.642 nan 8.360 nan 0.000 0.452 172 K N 0.397 120.898 120.400 0.169 0.000 2.026 172 K HA -0.112 4.211 4.320 0.005 0.000 0.208 172 K C 2.250 178.919 176.600 0.116 0.000 1.048 172 K CA 1.338 57.718 56.287 0.155 0.000 0.929 172 K CB -0.163 32.364 32.500 0.045 0.000 0.713 172 K HN 0.120 nan 8.250 nan 0.000 0.439 173 M N 0.382 119.997 119.600 0.026 0.000 2.082 173 M HA -0.226 4.257 4.480 0.005 0.000 0.258 173 M C 2.413 178.730 176.300 0.027 0.000 1.069 173 M CA 1.943 57.175 55.300 -0.113 0.000 1.102 173 M CB -0.403 31.913 32.600 -0.475 0.000 1.336 173 M HN 0.252 nan 8.290 nan 0.000 0.404 174 A N -0.821 122.153 122.820 0.256 0.000 1.975 174 A HA 0.099 4.422 4.320 0.005 0.000 0.215 174 A C 1.793 179.486 177.584 0.182 0.000 1.170 174 A CA 0.944 53.189 52.037 0.346 0.000 0.656 174 A CB -0.090 19.197 19.000 0.479 0.000 0.821 174 A HN 0.491 nan 8.150 nan 0.000 0.449 175 L N -2.889 118.420 121.223 0.144 0.000 3.086 175 L HA 0.209 4.551 4.340 0.005 0.000 0.274 175 L C 1.762 178.629 176.870 -0.004 0.000 1.184 175 L CA -0.000 54.858 54.840 0.030 0.000 1.002 175 L CB 0.076 42.132 42.059 -0.005 0.000 1.383 175 L HN 0.467 nan 8.230 nan 0.000 0.582 176 Y N 1.440 121.726 120.300 -0.023 0.000 2.128 176 Y HA -0.340 4.213 4.550 0.005 0.000 0.284 176 Y C 2.240 178.108 175.900 -0.054 0.000 1.154 176 Y CA 2.304 60.380 58.100 -0.040 0.000 1.149 176 Y CB 0.150 38.589 38.460 -0.035 0.000 0.976 176 Y HN 0.238 nan 8.280 nan 0.000 0.505 177 D N -0.648 119.759 120.400 0.012 0.000 2.123 177 D HA -0.185 4.458 4.640 0.005 0.000 0.196 177 D C 2.175 178.381 176.300 -0.156 0.000 0.992 177 D CA 1.590 55.558 54.000 -0.054 0.000 0.833 177 D CB -0.252 40.563 40.800 0.024 0.000 0.954 177 D HN 0.265 nan 8.370 nan 0.000 0.455 178 V N 0.367 120.192 119.914 -0.149 0.000 2.343 178 V HA -0.247 3.876 4.120 0.005 0.000 0.247 178 V C 2.683 178.627 176.094 -0.250 0.000 1.051 178 V CA 2.189 64.378 62.300 -0.185 0.000 1.036 178 V CB -1.149 30.540 31.823 -0.223 0.000 0.654 178 V HN 0.493 nan 8.190 nan 0.000 0.451 179 T N -2.315 112.054 114.554 -0.309 0.000 2.929 179 T HA -0.213 4.140 4.350 0.005 0.000 0.271 179 T C 1.652 176.167 174.700 -0.310 0.000 1.085 179 T CA 1.096 63.010 62.100 -0.311 0.000 1.125 179 T CB -0.224 68.450 68.868 -0.322 0.000 0.874 179 T HN 0.425 nan 8.240 nan 0.000 0.494 180 Q N 0.564 120.150 119.800 -0.357 0.000 2.424 180 Q HA 0.226 4.569 4.340 0.005 0.000 0.204 180 Q C 1.712 177.606 176.000 -0.176 0.000 0.933 180 Q CA 0.743 56.386 55.803 -0.266 0.000 0.929 180 Q CB 0.285 28.851 28.738 -0.286 0.000 1.037 180 Q HN 0.674 nan 8.270 nan 0.000 0.511 181 K N -0.871 119.420 120.400 -0.181 0.000 2.380 181 K HA 0.101 4.424 4.320 0.005 0.000 0.200 181 K C 1.748 178.244 176.600 -0.174 0.000 1.201 181 K CA -0.213 55.986 56.287 -0.147 0.000 0.916 181 K CB 0.098 32.536 32.500 -0.103 0.000 1.187 181 K HN -0.092 nan 8.250 nan 0.000 0.498 182 L N 3.430 124.547 121.223 -0.176 0.000 1.990 182 L HA -0.124 4.218 4.340 0.005 0.000 0.213 182 L C -1.164 175.561 176.870 -0.241 0.000 1.072 182 L CA 2.084 56.829 54.840 -0.158 0.000 0.755 182 L CB -0.899 41.099 42.059 -0.100 0.000 0.889 182 L HN 0.029 nan 8.230 nan 0.000 0.432 183 P HA -0.254 nan 4.420 nan 0.000 0.215 183 P C 1.504 178.420 177.300 -0.641 0.000 1.157 183 P CA 1.736 64.452 63.100 -0.639 0.000 0.874 183 P CB -0.142 30.862 31.700 -1.160 0.000 0.790 184 Q N -0.751 118.700 119.800 -0.581 0.000 2.119 184 Q HA -0.080 4.263 4.340 0.005 0.000 0.201 184 Q C 2.330 178.222 176.000 -0.179 0.000 0.972 184 Q CA 1.522 57.157 55.803 -0.281 0.000 0.847 184 Q CB -0.475 28.180 28.738 -0.138 0.000 0.903 184 Q HN 0.180 nan 8.270 nan 0.000 0.433 185 A N 0.330 123.050 122.820 -0.167 0.000 1.969 185 A HA -0.123 4.200 4.320 0.005 0.000 0.218 185 A C 2.074 179.602 177.584 -0.093 0.000 1.169 185 A CA 1.622 53.598 52.037 -0.102 0.000 0.635 185 A CB -0.400 18.550 19.000 -0.082 0.000 0.810 185 A HN 0.350 nan 8.150 nan 0.000 0.445 186 V N -4.972 114.863 119.914 -0.133 0.000 3.307 186 V HA 0.197 4.319 4.120 0.005 0.000 0.253 186 V C 1.824 177.811 176.094 -0.177 0.000 1.149 186 V CA 1.406 63.644 62.300 -0.104 0.000 1.112 186 V CB -0.211 31.567 31.823 -0.075 0.000 0.777 186 V HN 0.410 nan 8.190 nan 0.000 0.464 187 M N 0.146 119.565 119.600 -0.302 0.000 2.449 187 M HA 0.518 5.001 4.480 0.005 0.000 0.262 187 M C 1.581 177.770 176.300 -0.185 0.000 1.152 187 M CA 0.860 55.877 55.300 -0.472 0.000 1.104 187 M CB 0.713 32.921 32.600 -0.653 0.000 1.416 187 M HN 0.574 nan 8.290 nan 0.000 0.519 188 G N 1.555 110.292 108.800 -0.105 0.000 2.583 188 G HA2 -0.401 3.562 3.960 0.005 0.000 0.292 188 G HA3 -0.401 3.562 3.960 0.005 0.000 0.292 188 G C 0.845 175.757 174.900 0.020 0.000 1.203 188 G CA 0.564 45.653 45.100 -0.017 0.000 0.987 188 G HN 0.500 nan 8.290 nan 0.000 0.554 189 A N -0.862 122.021 122.820 0.105 0.000 2.070 189 A HA 0.216 4.539 4.320 0.005 0.000 0.220 189 A C 2.618 180.256 177.584 0.089 0.000 1.159 189 A CA 2.757 54.920 52.037 0.211 0.000 0.656 189 A CB -0.549 18.689 19.000 0.396 0.000 0.800 189 A HN 1.322 nan 8.150 nan 0.000 0.453 190 S N -1.669 114.065 115.700 0.056 0.000 2.481 190 S HA -0.016 4.457 4.470 0.005 0.000 0.231 190 S C 0.474 175.014 174.600 -0.101 0.000 0.996 190 S CA -0.009 58.184 58.200 -0.011 0.000 0.942 190 S CB -0.327 62.928 63.200 0.092 0.000 0.768 190 S HN 0.596 nan 8.310 nan 0.000 0.520 191 Y N 3.071 123.215 120.300 -0.259 0.000 2.637 191 Y HA 0.419 4.972 4.550 0.004 0.000 0.350 191 Y C 1.260 176.952 175.900 -0.346 0.000 1.069 191 Y CA -1.479 56.444 58.100 -0.295 0.000 1.397 191 Y CB -0.123 38.181 38.460 -0.260 0.000 1.163 191 Y HN 0.052 nan 8.280 nan 0.000 0.527 192 G N 4.677 113.072 108.800 -0.674 0.000 2.443 192 G HA2 -0.250 3.712 3.960 0.005 0.000 0.219 192 G HA3 -0.250 3.712 3.960 0.005 0.000 0.219 192 G C 0.814 175.262 174.900 -0.752 0.000 1.131 192 G CA 0.119 44.826 45.100 -0.654 0.000 0.775 192 G HN 0.603 nan 8.290 nan 0.000 0.547 193 F N 1.063 120.423 119.950 -0.983 0.000 2.716 193 F HA 0.160 4.690 4.527 0.005 0.000 0.301 193 F C 2.313 177.761 175.800 -0.586 0.000 1.210 193 F CA 0.140 57.725 58.000 -0.692 0.000 1.422 193 F CB -0.087 38.562 39.000 -0.586 0.000 1.073 193 F HN 0.411 nan 8.300 nan 0.000 0.525 194 Q N -1.530 117.929 119.800 -0.569 0.000 2.217 194 Q HA 0.119 4.462 4.340 0.005 0.000 0.217 194 Q C -0.612 175.123 176.000 -0.443 0.000 0.844 194 Q CA 0.065 55.600 55.803 -0.447 0.000 0.957 194 Q CB 0.012 28.444 28.738 -0.510 0.000 1.127 194 Q HN 0.372 nan 8.270 nan 0.000 0.503 195 Y N 1.913 122.143 120.300 -0.116 0.000 2.342 195 Y HA 0.372 4.925 4.550 0.005 0.000 0.334 195 Y C 0.618 176.489 175.900 -0.049 0.000 1.067 195 Y CA -0.991 57.060 58.100 -0.080 0.000 1.128 195 Y CB 1.601 39.992 38.460 -0.115 0.000 1.200 195 Y HN 0.090 nan 8.280 nan 0.000 0.464 196 S N 2.899 118.681 115.700 0.136 0.000 2.645 196 S HA 0.230 4.703 4.470 0.005 0.000 0.266 196 S C -1.796 172.829 174.600 0.041 0.000 1.258 196 S CA -1.243 56.983 58.200 0.043 0.000 0.990 196 S CB 1.263 64.460 63.200 -0.006 0.000 0.967 196 S HN 0.526 nan 8.310 nan 0.000 0.556 197 P HA -0.171 nan 4.420 nan 0.000 0.216 197 P C 1.414 178.745 177.300 0.052 0.000 1.153 197 P CA 1.982 65.100 63.100 0.029 0.000 0.858 197 P CB -0.345 31.387 31.700 0.054 0.000 0.789 198 A N -0.094 122.742 122.820 0.026 0.000 1.969 198 A HA -0.183 4.140 4.320 0.005 0.000 0.218 198 A C 2.363 179.966 177.584 0.031 0.000 1.169 198 A CA 1.391 53.456 52.037 0.046 0.000 0.635 198 A CB -1.207 17.804 19.000 0.018 0.000 0.810 198 A HN 0.215 nan 8.150 nan 0.000 0.445 199 Q N -1.143 118.679 119.800 0.037 0.000 2.187 199 Q HA -0.066 4.277 4.340 0.005 0.000 0.199 199 Q C 2.313 178.232 176.000 -0.135 0.000 0.957 199 Q CA 1.154 56.976 55.803 0.032 0.000 0.857 199 Q CB -0.101 28.759 28.738 0.203 0.000 0.929 199 Q HN 0.687 nan 8.270 nan 0.000 0.453 200 R N 0.326 120.771 120.500 -0.092 0.000 2.075 200 R HA -0.116 4.227 4.340 0.005 0.000 0.232 200 R C 2.081 178.329 176.300 -0.087 0.000 1.126 200 R CA 1.077 57.073 56.100 -0.173 0.000 0.963 200 R CB -0.101 30.178 30.300 -0.035 0.000 0.858 200 R HN 0.080 nan 8.270 nan 0.000 0.435 201 V N 1.406 121.301 119.914 -0.031 0.000 2.287 201 V HA -0.261 3.862 4.120 0.005 0.000 0.248 201 V C 2.357 178.415 176.094 -0.059 0.000 1.053 201 V CA 2.295 64.581 62.300 -0.024 0.000 1.027 201 V CB -0.587 31.256 31.823 0.034 0.000 0.646 201 V HN 0.502 nan 8.190 nan 0.000 0.447 202 E N -0.475 119.696 120.200 -0.049 0.000 2.077 202 E HA -0.276 4.077 4.350 0.005 0.000 0.193 202 E C 2.120 178.665 176.600 -0.093 0.000 0.989 202 E CA 1.693 58.056 56.400 -0.063 0.000 0.800 202 E CB -0.222 29.462 29.700 -0.027 0.000 0.746 202 E HN 0.581 nan 8.360 nan 0.000 0.452 203 F N 1.199 120.983 119.950 -0.277 0.000 2.102 203 F HA -0.180 4.350 4.527 0.005 0.000 0.298 203 F C 1.918 177.605 175.800 -0.189 0.000 1.105 203 F CA 1.439 59.257 58.000 -0.303 0.000 1.239 203 F CB -0.174 38.469 39.000 -0.595 0.000 0.991 203 F HN -0.005 nan 8.300 nan 0.000 0.474 204 L N -0.154 121.042 121.223 -0.045 0.000 2.017 204 L HA -0.241 4.101 4.340 0.005 0.000 0.208 204 L C 2.531 179.308 176.870 -0.154 0.000 1.073 204 L CA 1.291 56.077 54.840 -0.089 0.000 0.745 204 L CB -0.880 41.155 42.059 -0.039 0.000 0.894 204 L HN 0.223 nan 8.230 nan 0.000 0.432 205 L N -0.177 120.938 121.223 -0.180 0.000 2.042 205 L HA -0.267 4.076 4.340 0.005 0.000 0.210 205 L C 2.718 179.508 176.870 -0.134 0.000 1.076 205 L CA 1.467 56.187 54.840 -0.200 0.000 0.749 205 L CB -0.487 41.390 42.059 -0.303 0.000 0.893 205 L HN 0.268 nan 8.230 nan 0.000 0.432 206 K N 0.091 120.379 120.400 -0.187 0.000 2.025 206 K HA -0.167 4.155 4.320 0.005 0.000 0.207 206 K C 2.180 178.653 176.600 -0.212 0.000 1.049 206 K CA 1.289 57.463 56.287 -0.189 0.000 0.933 206 K CB -0.106 32.265 32.500 -0.215 0.000 0.714 206 K HN 0.260 nan 8.250 nan 0.000 0.438 207 A N 1.134 123.750 122.820 -0.340 0.000 1.902 207 A HA -0.210 4.113 4.320 0.005 0.000 0.217 207 A C 2.029 179.549 177.584 -0.106 0.000 1.181 207 A CA 1.316 53.169 52.037 -0.307 0.000 0.623 207 A CB -1.063 17.658 19.000 -0.465 0.000 0.818 207 A HN 0.714 nan 8.150 nan 0.000 0.443 208 W N 0.456 121.618 121.300 -0.229 0.000 2.379 208 W HA -0.138 4.525 4.660 0.005 0.000 0.307 208 W C 2.417 178.857 176.519 -0.131 0.000 1.200 208 W CA 1.800 59.049 57.345 -0.160 0.000 1.297 208 W CB -0.225 29.142 29.460 -0.155 0.000 1.140 208 W HN 0.428 nan 8.180 nan 0.000 0.507 209 A N 1.258 124.092 122.820 0.023 0.000 1.972 209 A HA -0.268 4.055 4.320 0.005 0.000 0.219 209 A C 1.744 179.264 177.584 -0.107 0.000 1.169 209 A CA 1.927 53.935 52.037 -0.048 0.000 0.635 209 A CB -1.023 17.958 19.000 -0.031 0.000 0.810 209 A HN 0.619 nan 8.150 nan 0.000 0.446 210 E N -0.155 119.973 120.200 -0.119 0.000 2.409 210 E HA -0.080 4.273 4.350 0.005 0.000 0.198 210 E C -0.046 176.474 176.600 -0.134 0.000 1.024 210 E CA 0.360 56.692 56.400 -0.114 0.000 0.861 210 E CB -0.077 29.558 29.700 -0.109 0.000 0.788 210 E HN 0.222 nan 8.360 nan 0.000 0.521 211 K N 1.368 121.651 120.400 -0.196 0.000 2.174 211 K HA 0.159 4.482 4.320 0.005 0.000 0.275 211 K C 0.683 177.164 176.600 -0.198 0.000 1.015 211 K CA -0.425 55.732 56.287 -0.216 0.000 0.933 211 K CB 1.289 33.592 32.500 -0.327 0.000 1.025 211 K HN -0.112 nan 8.250 nan 0.000 0.463 212 K N 0.803 121.117 120.400 -0.145 0.000 2.103 212 K HA -0.099 4.224 4.320 0.005 0.000 0.204 212 K C 0.034 176.555 176.600 -0.132 0.000 1.052 212 K CA 1.154 57.373 56.287 -0.114 0.000 0.945 212 K CB 0.110 32.562 32.500 -0.079 0.000 0.722 212 K HN 0.584 nan 8.250 nan 0.000 0.443 213 D N 0.294 120.599 120.400 -0.158 0.000 2.381 213 D HA 0.151 4.793 4.640 0.005 0.000 0.245 213 D C -2.793 173.373 176.300 -0.224 0.000 1.297 213 D CA -2.043 51.865 54.000 -0.154 0.000 0.931 213 D CB 1.315 42.064 40.800 -0.084 0.000 1.334 213 D HN -0.117 nan 8.370 nan 0.000 0.535 214 P HA 0.191 nan 4.420 nan 0.000 0.271 214 P C -0.505 176.458 177.300 -0.563 0.000 1.216 214 P CA -0.490 62.150 63.100 -0.768 0.000 0.776 214 P CB 1.029 31.687 31.700 -1.737 0.000 0.881 215 M N 2.515 121.878 119.600 -0.395 0.000 2.322 215 M HA 0.576 5.059 4.480 0.005 0.000 0.286 215 M C -1.346 174.925 176.300 -0.048 0.000 1.111 215 M CA -0.225 54.957 55.300 -0.197 0.000 0.941 215 M CB 2.231 34.775 32.600 -0.093 0.000 1.671 215 M HN 0.573 nan 8.290 nan 0.000 0.470 216 G N 3.774 112.636 108.800 0.104 0.000 2.658 216 G HA2 0.895 4.858 3.960 0.005 0.000 0.292 216 G HA3 0.895 4.858 3.960 0.005 0.000 0.292 216 G C -1.897 173.083 174.900 0.134 0.000 1.320 216 G CA -0.659 44.520 45.100 0.133 0.000 0.933 216 G HN 0.860 nan 8.290 nan 0.000 0.476 217 F N -0.771 119.144 119.950 -0.058 0.000 2.688 217 F HA 0.728 5.258 4.527 0.005 0.000 0.308 217 F C -0.467 175.312 175.800 -0.034 0.000 1.117 217 F CA -1.365 56.593 58.000 -0.070 0.000 0.976 217 F CB 1.360 40.296 39.000 -0.107 0.000 1.291 217 F HN 0.654 nan 8.300 nan 0.000 0.439 218 S N 1.711 117.498 115.700 0.145 0.000 2.475 218 S HA 0.611 5.084 4.470 0.005 0.000 0.298 218 S C -1.536 173.244 174.600 0.300 0.000 1.119 218 S CA -0.566 57.690 58.200 0.093 0.000 1.085 218 S CB 1.417 64.648 63.200 0.053 0.000 1.028 218 S HN 0.855 nan 8.310 nan 0.000 0.489 219 Y N 2.140 122.551 120.300 0.185 0.000 2.331 219 Y HA 0.435 4.988 4.550 0.005 0.000 0.338 219 Y C -0.555 175.472 175.900 0.213 0.000 0.976 219 Y CA -0.684 57.594 58.100 0.296 0.000 1.137 219 Y CB 1.161 39.901 38.460 0.467 0.000 1.172 219 Y HN 0.792 nan 8.280 nan 0.000 0.478 220 D N 4.908 125.150 120.400 -0.263 0.000 2.392 220 D HA 0.171 4.814 4.640 0.005 0.000 0.228 220 D C -0.861 175.295 176.300 -0.239 0.000 1.074 220 D CA -0.118 53.796 54.000 -0.143 0.000 0.838 220 D CB 1.212 41.962 40.800 -0.082 0.000 1.067 220 D HN 0.569 nan 8.370 nan 0.000 0.511 221 T N 3.520 118.105 114.554 0.052 0.000 2.832 221 T HA 0.107 4.460 4.350 0.005 0.000 0.296 221 T C 0.636 175.420 174.700 0.140 0.000 0.968 221 T CA -0.528 61.675 62.100 0.173 0.000 1.107 221 T CB 1.003 70.192 68.868 0.535 0.000 0.916 221 T HN 0.239 nan 8.240 nan 0.000 0.517 222 R N 2.686 123.225 120.500 0.064 0.000 2.343 222 R HA 0.105 4.448 4.340 0.005 0.000 0.326 222 R C -0.535 175.848 176.300 0.138 0.000 1.055 222 R CA -0.150 55.980 56.100 0.050 0.000 0.961 222 R CB -1.131 29.143 30.300 -0.044 0.000 0.978 222 R HN 0.930 nan 8.270 nan 0.000 0.443 223 C N 5.517 124.933 119.300 0.193 0.000 3.442 223 C HA -0.160 4.302 4.460 0.005 0.000 0.288 223 C C 1.257 176.438 174.990 0.318 0.000 1.238 223 C CA 0.172 59.355 59.018 0.276 0.000 2.320 223 C CB -3.147 24.807 27.740 0.356 0.000 1.459 223 C HN 1.002 nan 8.230 nan 0.000 0.544 224 F N 1.738 121.800 119.950 0.187 0.000 2.091 224 F HA -0.185 4.345 4.527 0.004 0.000 0.299 224 F C 1.968 177.875 175.800 0.179 0.000 1.103 224 F CA 2.397 60.510 58.000 0.188 0.000 1.228 224 F CB 0.039 39.141 39.000 0.171 0.000 0.984 224 F HN 0.493 nan 8.300 nan 0.000 0.477 225 D N -0.383 120.253 120.400 0.393 0.000 2.158 225 D HA -0.169 4.473 4.640 0.005 0.000 0.197 225 D C 2.409 178.766 176.300 0.095 0.000 0.995 225 D CA 1.681 55.840 54.000 0.264 0.000 0.846 225 D CB -0.513 40.450 40.800 0.272 0.000 0.941 225 D HN 0.238 nan 8.370 nan 0.000 0.456 226 S N -0.594 115.182 115.700 0.127 0.000 2.481 226 S HA -0.092 4.380 4.470 0.005 0.000 0.231 226 S C 2.027 176.568 174.600 -0.099 0.000 0.996 226 S CA 1.315 59.503 58.200 -0.021 0.000 0.942 226 S CB -0.164 63.090 63.200 0.091 0.000 0.768 226 S HN 0.530 nan 8.310 nan 0.000 0.520 227 T N -0.281 114.277 114.554 0.006 0.000 3.054 227 T HA 0.114 4.467 4.350 0.005 0.000 0.259 227 T C 0.840 175.445 174.700 -0.158 0.000 1.092 227 T CA 0.255 62.344 62.100 -0.020 0.000 1.121 227 T CB -0.615 68.209 68.868 -0.073 0.000 0.912 227 T HN 0.217 nan 8.240 nan 0.000 0.489 228 V N 3.865 123.647 119.914 -0.220 0.000 2.508 228 V HA 0.523 4.645 4.120 0.005 0.000 0.281 228 V C 0.380 176.411 176.094 -0.105 0.000 1.041 228 V CA -0.294 61.911 62.300 -0.157 0.000 1.016 228 V CB 0.154 31.926 31.823 -0.085 0.000 0.984 228 V HN 0.633 nan 8.190 nan 0.000 0.478 229 T N 2.094 116.601 114.554 -0.079 0.000 2.824 229 T HA 0.411 4.763 4.350 0.005 0.000 0.277 229 T C 0.832 175.502 174.700 -0.049 0.000 0.975 229 T CA 0.254 62.311 62.100 -0.073 0.000 0.966 229 T CB 1.138 69.970 68.868 -0.060 0.000 1.054 229 T HN 0.760 nan 8.240 nan 0.000 0.533 230 E N -0.264 119.907 120.200 -0.047 0.000 2.110 230 E HA -0.114 4.239 4.350 0.005 0.000 0.193 230 E C 2.321 178.913 176.600 -0.013 0.000 0.988 230 E CA 0.827 57.212 56.400 -0.024 0.000 0.804 230 E CB -0.102 29.585 29.700 -0.022 0.000 0.745 230 E HN 0.599 nan 8.360 nan 0.000 0.458 231 R N 1.204 121.691 120.500 -0.023 0.000 2.081 231 R HA -0.160 4.183 4.340 0.005 0.000 0.235 231 R C 1.562 177.857 176.300 -0.008 0.000 1.131 231 R CA 1.822 57.910 56.100 -0.020 0.000 0.960 231 R CB -0.146 30.130 30.300 -0.040 0.000 0.856 231 R HN 0.091 nan 8.270 nan 0.000 0.436 232 D N 0.071 120.465 120.400 -0.009 0.000 2.097 232 D HA -0.148 4.495 4.640 0.005 0.000 0.195 232 D C 1.882 178.190 176.300 0.013 0.000 0.989 232 D CA 1.616 55.627 54.000 0.018 0.000 0.827 232 D CB -0.129 40.682 40.800 0.018 0.000 0.966 232 D HN 0.344 nan 8.370 nan 0.000 0.456 233 I N 0.548 121.125 120.570 0.011 0.000 2.394 233 I HA -0.175 3.998 4.170 0.005 0.000 0.251 233 I C 2.405 178.525 176.117 0.004 0.000 1.136 233 I CA 0.796 62.109 61.300 0.021 0.000 1.425 233 I CB -0.095 37.938 38.000 0.055 0.000 1.079 233 I HN -0.087 nan 8.210 nan 0.000 0.425 234 R N -0.040 120.464 120.500 0.006 0.000 2.119 234 R HA -0.041 4.302 4.340 0.005 0.000 0.222 234 R C 2.249 178.532 176.300 -0.028 0.000 1.088 234 R CA 1.349 57.454 56.100 0.009 0.000 0.984 234 R CB -0.431 29.883 30.300 0.024 0.000 0.884 234 R HN 0.264 nan 8.270 nan 0.000 0.447 235 T N 1.120 115.658 114.554 -0.028 0.000 2.867 235 T HA -0.105 4.247 4.350 0.005 0.000 0.268 235 T C 1.443 176.066 174.700 -0.128 0.000 1.057 235 T CA 1.204 63.283 62.100 -0.034 0.000 1.136 235 T CB -0.007 68.880 68.868 0.032 0.000 0.874 235 T HN 0.349 nan 8.240 nan 0.000 0.466 236 E N 0.657 120.740 120.200 -0.195 0.000 2.106 236 E HA -0.121 4.232 4.350 0.005 0.000 0.192 236 E C 2.290 178.337 176.600 -0.922 0.000 0.984 236 E CA 0.742 56.864 56.400 -0.464 0.000 0.806 236 E CB -0.029 29.454 29.700 -0.362 0.000 0.750 236 E HN 0.513 nan 8.360 nan 0.000 0.458 237 E N 0.600 120.488 120.200 -0.520 0.000 2.077 237 E HA -0.184 4.168 4.350 0.005 0.000 0.193 237 E C 2.132 178.632 176.600 -0.167 0.000 0.989 237 E CA 1.464 57.675 56.400 -0.314 0.000 0.800 237 E CB 0.052 29.768 29.700 0.027 0.000 0.746 237 E HN 0.215 nan 8.360 nan 0.000 0.452 238 S N 0.350 115.979 115.700 -0.120 0.000 2.419 238 S HA -0.133 4.340 4.470 0.005 0.000 0.233 238 S C 2.028 176.597 174.600 -0.053 0.000 1.016 238 S CA 0.880 59.049 58.200 -0.051 0.000 0.974 238 S CB -0.472 62.708 63.200 -0.033 0.000 0.786 238 S HN 0.285 nan 8.310 nan 0.000 0.492 239 I N 0.142 120.635 120.570 -0.127 0.000 2.353 239 I HA -0.112 4.061 4.170 0.005 0.000 0.248 239 I C 2.333 178.493 176.117 0.072 0.000 1.119 239 I CA 1.263 62.529 61.300 -0.056 0.000 1.417 239 I CB -0.421 37.527 38.000 -0.087 0.000 1.078 239 I HN 0.314 nan 8.210 nan 0.000 0.421 240 Y N 0.583 120.898 120.300 0.026 0.000 2.145 240 Y HA -0.227 4.326 4.550 0.004 0.000 0.286 240 Y C 2.685 178.601 175.900 0.027 0.000 1.145 240 Y CA 0.111 58.227 58.100 0.026 0.000 1.148 240 Y CB -0.232 38.258 38.460 0.051 0.000 0.981 240 Y HN 0.170 nan 8.280 nan 0.000 0.507 241 Q N 0.200 120.109 119.800 0.183 0.000 2.437 241 Q HA -0.103 4.240 4.340 0.005 0.000 0.210 241 Q C 2.314 178.354 176.000 0.066 0.000 0.972 241 Q CA 0.945 56.812 55.803 0.106 0.000 0.903 241 Q CB -0.323 28.455 28.738 0.067 0.000 0.967 241 Q HN 0.528 nan 8.270 nan 0.000 0.486 242 A N 0.128 122.985 122.820 0.061 0.000 2.014 242 A HA -0.072 4.251 4.320 0.005 0.000 0.218 242 A C 1.325 178.933 177.584 0.039 0.000 1.163 242 A CA 0.264 52.324 52.037 0.037 0.000 0.652 242 A CB -0.315 18.701 19.000 0.027 0.000 0.808 242 A HN 0.373 nan 8.150 nan 0.000 0.449 243 C N -0.609 118.724 119.300 0.055 0.000 2.705 243 C HA 0.388 4.851 4.460 0.005 0.000 0.365 243 C C 1.371 176.381 174.990 0.034 0.000 1.353 243 C CA -0.225 58.817 59.018 0.040 0.000 2.339 243 C CB 0.307 28.073 27.740 0.044 0.000 2.576 243 C HN 0.478 nan 8.230 nan 0.000 0.716 244 S N 1.190 116.904 115.700 0.023 0.000 2.400 244 S HA 0.624 5.097 4.470 0.005 0.000 0.295 244 S C -0.777 173.839 174.600 0.026 0.000 1.113 244 S CA -0.400 57.813 58.200 0.021 0.000 1.064 244 S CB -0.703 62.506 63.200 0.014 0.000 0.990 244 S HN 0.488 nan 8.310 nan 0.000 0.502 245 L N 5.956 127.200 121.223 0.034 0.000 2.350 245 L HA 0.651 4.994 4.340 0.005 0.000 0.260 245 L C -2.190 174.707 176.870 0.044 0.000 1.015 245 L CA -2.439 52.427 54.840 0.043 0.000 0.821 245 L CB 2.178 44.272 42.059 0.058 0.000 1.370 245 L HN 0.427 nan 8.230 nan 0.000 0.416 246 P HA 0.079 nan 4.420 nan 0.000 0.275 246 P C 0.008 177.344 177.300 0.060 0.000 1.228 246 P CA -0.234 62.898 63.100 0.052 0.000 0.786 246 P CB 1.518 33.254 31.700 0.059 0.000 0.927 247 E N 1.852 122.081 120.200 0.048 0.000 2.130 247 E HA -0.258 4.095 4.350 0.005 0.000 0.196 247 E C 1.790 178.423 176.600 0.055 0.000 0.998 247 E CA 1.864 58.289 56.400 0.041 0.000 0.806 247 E CB -0.408 29.309 29.700 0.028 0.000 0.738 247 E HN 0.637 nan 8.360 nan 0.000 0.459 248 E N -0.854 119.396 120.200 0.083 0.000 2.110 248 E HA -0.215 4.138 4.350 0.005 0.000 0.193 248 E C 1.865 178.555 176.600 0.150 0.000 0.988 248 E CA 1.109 57.582 56.400 0.121 0.000 0.804 248 E CB -0.213 29.604 29.700 0.194 0.000 0.745 248 E HN 0.335 nan 8.360 nan 0.000 0.458 249 A N 1.152 124.072 122.820 0.167 0.000 1.898 249 A HA -0.139 4.183 4.320 0.005 0.000 0.216 249 A C 2.133 179.787 177.584 0.118 0.000 1.181 249 A CA 1.271 53.420 52.037 0.186 0.000 0.620 249 A CB -0.384 18.709 19.000 0.155 0.000 0.819 249 A HN 0.175 nan 8.150 nan 0.000 0.442 250 R N -0.748 119.805 120.500 0.089 0.000 2.083 250 R HA -0.106 4.236 4.340 0.005 0.000 0.237 250 R C 2.287 178.627 176.300 0.067 0.000 1.137 250 R CA 1.901 58.048 56.100 0.078 0.000 0.951 250 R CB -0.966 29.364 30.300 0.050 0.000 0.851 250 R HN 0.516 nan 8.270 nan 0.000 0.434 251 T N 1.067 115.636 114.554 0.026 0.000 2.652 251 T HA -0.176 4.177 4.350 0.005 0.000 0.267 251 T C 2.000 176.668 174.700 -0.055 0.000 1.039 251 T CA 1.603 63.699 62.100 -0.006 0.000 1.153 251 T CB -0.328 68.510 68.868 -0.050 0.000 0.863 251 T HN 0.415 nan 8.240 nan 0.000 0.428 252 A N 0.833 123.562 122.820 -0.152 0.000 1.933 252 A HA -0.014 4.309 4.320 0.005 0.000 0.218 252 A C 2.305 179.832 177.584 -0.095 0.000 1.175 252 A CA 1.211 53.075 52.037 -0.287 0.000 0.628 252 A CB -0.795 17.870 19.000 -0.559 0.000 0.814 252 A HN 0.533 nan 8.150 nan 0.000 0.444 253 I N -1.521 119.074 120.570 0.041 0.000 2.315 253 I HA -0.256 3.917 4.170 0.005 0.000 0.248 253 I C 2.550 178.756 176.117 0.148 0.000 1.117 253 I CA 1.569 62.954 61.300 0.141 0.000 1.404 253 I CB -0.423 37.701 38.000 0.208 0.000 1.071 253 I HN 0.549 nan 8.210 nan 0.000 0.419 254 H N 0.275 119.360 119.070 0.025 0.000 2.357 254 H HA -0.122 4.437 4.556 0.005 0.000 0.301 254 H C 2.398 177.703 175.328 -0.038 0.000 1.082 254 H CA 1.646 57.700 56.048 0.010 0.000 1.342 254 H CB 0.389 30.148 29.762 -0.005 0.000 1.389 254 H HN 0.211 nan 8.280 nan 0.000 0.511 255 S N 0.730 116.351 115.700 -0.132 0.000 2.348 255 S HA -0.121 4.352 4.470 0.005 0.000 0.221 255 S C 2.414 176.861 174.600 -0.255 0.000 1.033 255 S CA 1.015 59.083 58.200 -0.220 0.000 1.010 255 S CB -0.299 62.788 63.200 -0.189 0.000 0.891 255 S HN 0.320 nan 8.310 nan 0.000 0.442 256 L N 0.977 122.047 121.223 -0.254 0.000 2.127 256 L HA -0.147 4.196 4.340 0.005 0.000 0.211 256 L C 2.615 179.137 176.870 -0.580 0.000 1.089 256 L CA 1.122 55.702 54.840 -0.434 0.000 0.757 256 L CB -0.915 40.891 42.059 -0.422 0.000 0.899 256 L HN 0.331 nan 8.230 nan 0.000 0.434 257 T N -1.190 113.210 114.554 -0.258 0.000 2.737 257 T HA -0.123 4.230 4.350 0.005 0.000 0.265 257 T C 1.765 176.392 174.700 -0.122 0.000 1.038 257 T CA 1.043 63.111 62.100 -0.052 0.000 1.144 257 T CB -0.035 68.891 68.868 0.096 0.000 0.866 257 T HN 0.269 nan 8.240 nan 0.000 0.434 258 E N 0.994 121.053 120.200 -0.236 0.000 2.216 258 E HA 0.039 4.392 4.350 0.005 0.000 0.192 258 E C 2.220 178.733 176.600 -0.144 0.000 0.988 258 E CA 0.701 56.980 56.400 -0.202 0.000 0.834 258 E CB -0.025 29.486 29.700 -0.314 0.000 0.772 258 E HN 0.451 nan 8.360 nan 0.000 0.479 259 R N -0.611 119.783 120.500 -0.178 0.000 2.265 259 R HA 0.150 4.492 4.340 0.005 0.000 0.194 259 R C 1.670 177.889 176.300 -0.136 0.000 0.931 259 R CA 0.171 56.191 56.100 -0.133 0.000 1.032 259 R CB 0.395 30.614 30.300 -0.136 0.000 0.980 259 R HN 0.014 nan 8.270 nan 0.000 0.497 260 L N -2.093 119.006 121.223 -0.207 0.000 2.775 260 L HA 0.193 4.536 4.340 0.005 0.000 0.175 260 L C 1.258 178.106 176.870 -0.036 0.000 1.110 260 L CA 0.693 55.425 54.840 -0.179 0.000 0.862 260 L CB -0.355 41.516 42.059 -0.314 0.000 1.381 260 L HN -0.143 nan 8.230 nan 0.000 0.499 261 Y N -0.284 120.022 120.300 0.010 0.000 2.128 261 Y HA -0.142 4.411 4.550 0.005 0.000 0.284 261 Y C 2.753 178.650 175.900 -0.004 0.000 1.154 261 Y CA 1.535 59.651 58.100 0.026 0.000 1.149 261 Y CB -1.383 37.118 38.460 0.069 0.000 0.976 261 Y HN 0.092 nan 8.280 nan 0.000 0.505 262 V N -0.906 119.084 119.914 0.127 0.000 2.759 262 V HA 0.125 4.247 4.120 0.005 0.000 0.256 262 V C 1.036 177.127 176.094 -0.005 0.000 1.080 262 V CA 1.728 64.058 62.300 0.050 0.000 1.101 262 V CB -0.574 31.263 31.823 0.023 0.000 0.698 262 V HN 0.604 nan 8.190 nan 0.000 0.477 263 G N -2.695 106.081 108.800 -0.041 0.000 2.343 263 G HA2 0.547 4.510 3.960 0.005 0.000 0.289 263 G HA3 0.547 4.510 3.960 0.005 0.000 0.289 263 G C -0.411 174.322 174.900 -0.278 0.000 1.295 263 G CA -0.082 44.924 45.100 -0.157 0.000 0.869 263 G HN 1.230 nan 8.290 nan 0.000 0.522 264 G N -0.954 107.414 108.800 -0.721 0.000 2.350 264 G HA2 0.641 4.604 3.960 0.005 0.000 0.304 264 G HA3 0.641 4.604 3.960 0.005 0.000 0.304 264 G C -3.480 170.847 174.900 -0.955 0.000 1.421 264 G CA 0.151 44.807 45.100 -0.739 0.000 0.934 264 G HN 0.852 nan 8.290 nan 0.000 0.632 265 P HA 0.421 nan 4.420 nan 0.000 0.275 265 P C -0.460 176.726 177.300 -0.189 0.000 1.227 265 P CA -0.031 62.919 63.100 -0.249 0.000 0.781 265 P CB 0.953 32.660 31.700 0.011 0.000 0.906 266 M N 2.459 121.883 119.600 -0.293 0.000 2.456 266 M HA 0.510 4.992 4.480 0.005 0.000 0.324 266 M C -0.631 175.464 176.300 -0.341 0.000 1.124 266 M CA -0.544 54.657 55.300 -0.164 0.000 0.959 266 M CB 1.594 34.128 32.600 -0.110 0.000 1.692 266 M HN 0.159 nan 8.290 nan 0.000 0.444 267 F N 0.994 120.925 119.950 -0.033 0.000 2.563 267 F HA 0.442 4.975 4.527 0.010 0.000 0.316 267 F C 0.294 176.088 175.800 -0.010 0.000 1.076 267 F CA -1.015 56.978 58.000 -0.012 0.000 0.921 267 F CB 1.295 40.278 39.000 -0.029 0.000 1.209 267 F HN 0.605 nan 8.300 nan 0.000 0.462 268 N N -0.731 118.073 118.700 0.172 0.000 2.366 268 N HA 0.143 4.886 4.740 0.005 0.000 0.277 268 N C 0.875 176.447 175.510 0.103 0.000 1.275 268 N CA -0.041 53.077 53.050 0.113 0.000 0.964 268 N CB -0.022 38.518 38.487 0.088 0.000 1.167 268 N HN 0.521 nan 8.380 nan 0.000 0.568 269 S N -1.251 114.495 115.700 0.077 0.000 2.442 269 S HA -0.134 4.339 4.470 0.005 0.000 0.236 269 S C 1.042 175.672 174.600 0.049 0.000 1.007 269 S CA 0.790 59.028 58.200 0.062 0.000 0.965 269 S CB -0.476 62.763 63.200 0.064 0.000 0.773 269 S HN 0.615 nan 8.310 nan 0.000 0.504 270 K N 0.667 121.102 120.400 0.059 0.000 2.444 270 K HA 0.259 4.582 4.320 0.005 0.000 0.193 270 K C 1.274 177.908 176.600 0.057 0.000 1.024 270 K CA 0.370 56.686 56.287 0.049 0.000 1.077 270 K CB -0.144 32.385 32.500 0.049 0.000 0.833 270 K HN 0.553 nan 8.250 nan 0.000 0.517 271 G N 1.717 110.570 108.800 0.087 0.000 2.159 271 G HA2 -0.295 3.667 3.960 0.005 0.000 0.256 271 G HA3 -0.295 3.667 3.960 0.005 0.000 0.256 271 G C -0.230 174.821 174.900 0.251 0.000 0.977 271 G CA -0.094 45.069 45.100 0.105 0.000 0.652 271 G HN 0.355 nan 8.290 nan 0.000 0.531 272 Q N 0.545 120.474 119.800 0.216 0.000 2.293 272 Q HA 0.505 4.848 4.340 0.005 0.000 0.251 272 Q C 0.624 176.729 176.000 0.175 0.000 0.930 272 Q CA 0.208 56.124 55.803 0.189 0.000 0.893 272 Q CB 1.359 30.157 28.738 0.100 0.000 1.215 272 Q HN 0.277 nan 8.270 nan 0.000 0.425 273 S N 1.121 116.853 115.700 0.053 0.000 2.509 273 S HA -0.018 4.455 4.470 0.005 0.000 0.287 273 S C 0.584 175.076 174.600 -0.180 0.000 1.248 273 S CA -0.471 57.533 58.200 -0.327 0.000 1.089 273 S CB 0.092 63.160 63.200 -0.219 0.000 0.900 273 S HN 0.836 nan 8.310 nan 0.000 0.496 274 C N 4.561 123.727 119.300 -0.225 0.000 2.609 274 C HA 0.642 5.105 4.460 0.005 0.000 0.305 274 C C 1.217 176.246 174.990 0.064 0.000 1.319 274 C CA 0.761 59.778 59.018 -0.003 0.000 1.793 274 C CB -1.094 26.687 27.740 0.068 0.000 2.260 274 C HN 1.060 nan 8.230 nan 0.000 0.535 275 G N -1.662 107.067 108.800 -0.119 0.000 2.317 275 G HA2 0.372 4.335 3.960 0.005 0.000 0.293 275 G HA3 0.372 4.335 3.960 0.005 0.000 0.293 275 G C -2.341 172.443 174.900 -0.194 0.000 1.287 275 G CA -0.352 44.642 45.100 -0.176 0.000 0.850 275 G HN 0.148 nan 8.290 nan 0.000 0.515 276 Y N 0.668 120.766 120.300 -0.336 0.000 2.391 276 Y HA 0.742 5.294 4.550 0.004 0.000 0.341 276 Y C 0.314 176.066 175.900 -0.246 0.000 0.965 276 Y CA -0.891 57.063 58.100 -0.243 0.000 1.067 276 Y CB 1.802 40.147 38.460 -0.192 0.000 1.199 276 Y HN 0.674 nan 8.280 nan 0.000 0.450 277 R N 4.992 125.206 120.500 -0.478 0.000 2.474 277 R HA 0.525 4.868 4.340 0.005 0.000 0.295 277 R C -0.567 175.531 176.300 -0.338 0.000 0.980 277 R CA -0.518 55.358 56.100 -0.374 0.000 0.934 277 R CB 0.828 30.984 30.300 -0.240 0.000 1.101 277 R HN 0.912 nan 8.270 nan 0.000 0.469 278 R N 3.076 123.363 120.500 -0.354 0.000 2.642 278 R HA 0.210 4.553 4.340 0.005 0.000 0.435 278 R C -0.576 175.570 176.300 -0.256 0.000 1.046 278 R CA -0.297 55.679 56.100 -0.206 0.000 1.103 278 R CB 0.498 30.718 30.300 -0.133 0.000 1.425 278 R HN 0.789 nan 8.270 nan 0.000 0.586 279 C N -1.820 117.284 119.300 -0.326 0.000 3.321 279 C HA 0.611 5.074 4.460 0.005 0.000 0.363 279 C C -0.227 174.689 174.990 -0.122 0.000 1.705 279 C CA -1.513 57.355 59.018 -0.249 0.000 1.298 279 C CB 1.197 28.711 27.740 -0.376 0.000 2.086 279 C HN 0.327 nan 8.230 nan 0.000 0.438 280 R N 1.177 121.657 120.500 -0.034 0.000 2.538 280 R HA 0.469 4.812 4.340 0.005 0.000 0.282 280 R C -0.003 176.355 176.300 0.097 0.000 1.009 280 R CA 1.019 57.156 56.100 0.062 0.000 1.063 280 R CB -0.131 30.248 30.300 0.132 0.000 0.945 280 R HN 1.189 nan 8.270 nan 0.000 0.414 281 A N 3.520 126.413 122.820 0.120 0.000 2.301 281 A HA 0.310 4.633 4.320 0.005 0.000 0.298 281 A C 0.745 178.433 177.584 0.172 0.000 1.185 281 A CA -0.307 51.822 52.037 0.154 0.000 0.830 281 A CB 0.929 20.024 19.000 0.159 0.000 1.112 281 A HN 0.977 nan 8.150 nan 0.000 0.508 282 S N 2.266 118.082 115.700 0.193 0.000 2.402 282 S HA -0.035 4.438 4.470 0.005 0.000 0.229 282 S C 1.374 176.080 174.600 0.178 0.000 1.021 282 S CA 1.103 59.415 58.200 0.187 0.000 0.974 282 S CB -0.022 63.295 63.200 0.196 0.000 0.800 282 S HN 1.103 nan 8.310 nan 0.000 0.484 283 G N 2.342 111.269 108.800 0.211 0.000 3.678 283 G HA2 0.471 4.434 3.960 0.005 0.000 0.287 283 G HA3 0.471 4.434 3.960 0.005 0.000 0.287 283 G C 0.054 175.082 174.900 0.213 0.000 1.280 283 G CA -0.280 44.950 45.100 0.215 0.000 1.118 283 G HN 0.420 nan 8.290 nan 0.000 0.563 284 V N -2.716 117.307 119.914 0.182 0.000 2.919 284 V HA 0.487 4.609 4.120 0.005 0.000 0.316 284 V C 1.458 177.619 176.094 0.111 0.000 1.077 284 V CA -0.980 61.442 62.300 0.204 0.000 0.977 284 V CB 1.927 33.928 31.823 0.298 0.000 1.039 284 V HN 0.092 nan 8.190 nan 0.000 0.441 285 L N 1.859 123.159 121.223 0.128 0.000 2.081 285 L HA -0.127 4.215 4.340 0.005 0.000 0.212 285 L C 2.470 179.314 176.870 -0.044 0.000 1.080 285 L CA 2.643 57.521 54.840 0.062 0.000 0.754 285 L CB -0.121 42.008 42.059 0.117 0.000 0.893 285 L HN 1.126 nan 8.230 nan 0.000 0.433 286 T N -5.935 108.509 114.554 -0.183 0.000 3.129 286 T HA -0.029 4.324 4.350 0.005 0.000 0.251 286 T C 1.481 176.119 174.700 -0.103 0.000 1.117 286 T CA 0.643 62.608 62.100 -0.226 0.000 1.034 286 T CB -0.161 68.438 68.868 -0.448 0.000 0.968 286 T HN 0.199 nan 8.240 nan 0.000 0.526 287 T N 1.992 116.519 114.554 -0.044 0.000 2.622 287 T HA -0.168 4.185 4.350 0.005 0.000 0.266 287 T C 2.194 176.941 174.700 0.078 0.000 1.047 287 T CA 1.832 63.957 62.100 0.042 0.000 1.159 287 T CB -0.748 68.169 68.868 0.081 0.000 0.863 287 T HN 0.557 nan 8.240 nan 0.000 0.422 288 S N 0.759 116.495 115.700 0.060 0.000 2.351 288 S HA -0.130 4.343 4.470 0.005 0.000 0.220 288 S C 2.189 176.879 174.600 0.150 0.000 1.035 288 S CA 1.891 60.147 58.200 0.094 0.000 1.031 288 S CB -0.496 62.698 63.200 -0.010 0.000 0.928 288 S HN 0.513 nan 8.310 nan 0.000 0.433 289 M N 0.741 120.393 119.600 0.087 0.000 2.108 289 M HA -0.026 4.457 4.480 0.005 0.000 0.261 289 M C 2.052 178.426 176.300 0.123 0.000 1.066 289 M CA 2.079 57.426 55.300 0.080 0.000 1.107 289 M CB -0.946 31.641 32.600 -0.022 0.000 1.356 289 M HN 0.442 nan 8.290 nan 0.000 0.406 290 G N 0.388 109.265 108.800 0.128 0.000 2.421 290 G HA2 -0.256 3.707 3.960 0.005 0.000 0.216 290 G HA3 -0.256 3.707 3.960 0.005 0.000 0.216 290 G C 1.186 176.205 174.900 0.198 0.000 1.171 290 G CA 1.112 46.311 45.100 0.165 0.000 0.775 290 G HN 0.465 nan 8.290 nan 0.000 0.543 291 N N 0.421 119.242 118.700 0.202 0.000 2.120 291 N HA -0.078 4.665 4.740 0.005 0.000 0.188 291 N C 2.424 177.998 175.510 0.107 0.000 1.024 291 N CA 1.629 54.806 53.050 0.212 0.000 0.852 291 N CB -0.833 37.692 38.487 0.064 0.000 1.003 291 N HN 0.236 nan 8.380 nan 0.000 0.424 292 T N 1.635 116.266 114.554 0.129 0.000 2.652 292 T HA -0.027 4.325 4.350 0.005 0.000 0.267 292 T C 2.079 176.871 174.700 0.154 0.000 1.039 292 T CA 0.889 63.070 62.100 0.135 0.000 1.153 292 T CB -0.251 68.763 68.868 0.242 0.000 0.863 292 T HN 0.180 nan 8.240 nan 0.000 0.428 293 I N 0.883 121.539 120.570 0.144 0.000 2.252 293 I HA -0.154 4.019 4.170 0.005 0.000 0.245 293 I C 2.696 178.941 176.117 0.213 0.000 1.102 293 I CA 1.115 62.505 61.300 0.150 0.000 1.385 293 I CB -0.585 37.478 38.000 0.104 0.000 1.064 293 I HN 0.248 nan 8.210 nan 0.000 0.414 294 T N -0.310 114.381 114.554 0.230 0.000 2.821 294 T HA -0.201 4.152 4.350 0.005 0.000 0.267 294 T C 2.037 176.946 174.700 0.349 0.000 1.046 294 T CA 1.301 63.562 62.100 0.268 0.000 1.139 294 T CB -0.415 68.630 68.868 0.295 0.000 0.871 294 T HN 0.503 nan 8.240 nan 0.000 0.454 295 C N 0.610 120.154 119.300 0.405 0.000 2.440 295 C HA -0.057 4.406 4.460 0.005 0.000 0.278 295 C C 2.348 177.513 174.990 0.292 0.000 1.295 295 C CA 0.317 59.573 59.018 0.396 0.000 1.738 295 C CB -1.400 26.427 27.740 0.146 0.000 1.987 295 C HN 0.641 nan 8.230 nan 0.000 0.492 296 Y N 1.254 121.629 120.300 0.124 0.000 2.145 296 Y HA -0.089 4.464 4.550 0.005 0.000 0.286 296 Y C 2.277 178.212 175.900 0.059 0.000 1.145 296 Y CA 2.259 60.410 58.100 0.085 0.000 1.148 296 Y CB -0.514 37.980 38.460 0.056 0.000 0.981 296 Y HN 0.196 nan 8.280 nan 0.000 0.507 297 V N 0.811 120.766 119.914 0.069 0.000 2.261 297 V HA -0.340 3.783 4.120 0.005 0.000 0.246 297 V C 2.261 178.261 176.094 -0.157 0.000 1.047 297 V CA 2.451 64.673 62.300 -0.130 0.000 1.015 297 V CB -0.645 31.091 31.823 -0.145 0.000 0.642 297 V HN 0.335 nan 8.190 nan 0.000 0.446 298 K N 0.331 120.740 120.400 0.014 0.000 2.026 298 K HA -0.117 4.205 4.320 0.005 0.000 0.208 298 K C 2.337 178.996 176.600 0.098 0.000 1.048 298 K CA 1.499 57.846 56.287 0.100 0.000 0.929 298 K CB -0.476 32.173 32.500 0.248 0.000 0.713 298 K HN 0.464 nan 8.250 nan 0.000 0.439 299 A N 1.605 124.462 122.820 0.061 0.000 1.902 299 A HA -0.146 4.177 4.320 0.005 0.000 0.217 299 A C 2.134 179.758 177.584 0.065 0.000 1.181 299 A CA 1.180 53.267 52.037 0.085 0.000 0.623 299 A CB -0.627 18.490 19.000 0.194 0.000 0.818 299 A HN 0.226 nan 8.150 nan 0.000 0.443 300 L N -0.942 120.205 121.223 -0.125 0.000 2.056 300 L HA -0.156 4.187 4.340 0.005 0.000 0.207 300 L C 2.986 179.829 176.870 -0.045 0.000 1.078 300 L CA 1.132 55.875 54.840 -0.162 0.000 0.749 300 L CB -0.380 41.424 42.059 -0.424 0.000 0.901 300 L HN 0.452 nan 8.230 nan 0.000 0.433 301 A N -0.379 122.424 122.820 -0.028 0.000 1.902 301 A HA -0.170 4.152 4.320 0.005 0.000 0.217 301 A C 2.417 180.074 177.584 0.123 0.000 1.181 301 A CA 1.581 53.670 52.037 0.086 0.000 0.623 301 A CB -0.683 18.354 19.000 0.063 0.000 0.818 301 A HN 0.488 nan 8.150 nan 0.000 0.443 302 A N -1.131 121.756 122.820 0.111 0.000 1.933 302 A HA -0.154 4.168 4.320 0.005 0.000 0.218 302 A C 2.279 179.846 177.584 -0.028 0.000 1.175 302 A CA 1.591 53.537 52.037 -0.152 0.000 0.628 302 A CB -1.247 17.335 19.000 -0.696 0.000 0.814 302 A HN 0.580 nan 8.150 nan 0.000 0.444 303 C N -0.498 118.899 119.300 0.162 0.000 2.413 303 C HA -0.100 4.363 4.460 0.005 0.000 0.276 303 C C 2.769 177.785 174.990 0.044 0.000 1.248 303 C CA 1.422 60.577 59.018 0.229 0.000 1.742 303 C CB -0.969 26.879 27.740 0.180 0.000 2.017 303 C HN 0.621 nan 8.230 nan 0.000 0.481 304 K N 0.934 121.310 120.400 -0.040 0.000 2.057 304 K HA -0.066 4.256 4.320 0.005 0.000 0.206 304 K C 2.248 178.579 176.600 -0.448 0.000 1.050 304 K CA 1.513 57.727 56.287 -0.122 0.000 0.935 304 K CB -0.345 32.165 32.500 0.016 0.000 0.715 304 K HN 0.463 nan 8.250 nan 0.000 0.439 305 A N 1.513 123.884 122.820 -0.748 0.000 1.933 305 A HA -0.077 4.246 4.320 0.005 0.000 0.218 305 A C 2.275 179.623 177.584 -0.394 0.000 1.175 305 A CA 1.801 53.237 52.037 -1.001 0.000 0.628 305 A CB -0.503 18.079 19.000 -0.696 0.000 0.814 305 A HN 0.331 nan 8.150 nan 0.000 0.444 306 A N -1.830 120.870 122.820 -0.201 0.000 2.169 306 A HA 0.410 4.733 4.320 0.005 0.000 0.212 306 A C 1.748 179.310 177.584 -0.037 0.000 1.153 306 A CA 1.185 53.182 52.037 -0.067 0.000 0.756 306 A CB -0.863 18.170 19.000 0.054 0.000 0.813 306 A HN 1.916 nan 8.150 nan 0.000 0.471 307 G N -0.274 108.494 108.800 -0.053 0.000 2.198 307 G HA2 -0.185 3.778 3.960 0.005 0.000 0.257 307 G HA3 -0.185 3.778 3.960 0.005 0.000 0.257 307 G C -0.048 174.860 174.900 0.014 0.000 1.042 307 G CA 0.061 45.153 45.100 -0.015 0.000 0.791 307 G HN 0.293 nan 8.290 nan 0.000 0.502 308 I N 0.629 121.222 120.570 0.039 0.000 2.598 308 I HA 0.107 4.280 4.170 0.005 0.000 0.284 308 I C 1.177 177.314 176.117 0.033 0.000 1.140 308 I CA -0.222 61.111 61.300 0.054 0.000 1.420 308 I CB 1.001 39.062 38.000 0.101 0.000 1.387 308 I HN -0.051 nan 8.210 nan 0.000 0.553 309 V N 6.602 126.529 119.914 0.021 0.000 2.408 309 V HA 0.364 4.487 4.120 0.005 0.000 0.267 309 V C 0.842 176.934 176.094 -0.004 0.000 1.047 309 V CA -0.586 61.718 62.300 0.007 0.000 0.937 309 V CB 0.624 32.446 31.823 -0.001 0.000 0.999 309 V HN 0.999 nan 8.190 nan 0.000 0.472 310 A N 6.120 128.939 122.820 -0.002 0.000 2.303 310 A HA -0.089 4.234 4.320 0.005 0.000 0.286 310 A C -1.816 175.760 177.584 -0.014 0.000 1.429 310 A CA 0.101 52.132 52.037 -0.010 0.000 0.738 310 A CB -1.372 17.612 19.000 -0.028 0.000 1.149 310 A HN 0.655 nan 8.150 nan 0.000 0.364 311 P HA 0.412 nan 4.420 nan 0.000 0.286 311 P C -0.251 177.060 177.300 0.018 0.000 1.269 311 P CA 0.228 63.328 63.100 0.000 0.000 0.787 311 P CB 1.601 33.311 31.700 0.017 0.000 0.920 312 T N 4.337 118.896 114.554 0.009 0.000 2.833 312 T HA 0.632 4.985 4.350 0.005 0.000 0.297 312 T C -0.042 174.722 174.700 0.105 0.000 1.015 312 T CA -0.728 61.410 62.100 0.064 0.000 0.963 312 T CB -0.258 68.606 68.868 -0.007 0.000 0.955 312 T HN 0.323 nan 8.240 nan 0.000 0.449 313 M N 3.884 123.589 119.600 0.176 0.000 2.598 313 M HA 0.788 5.271 4.480 0.005 0.000 0.317 313 M C -1.403 175.025 176.300 0.214 0.000 1.201 313 M CA -1.343 54.050 55.300 0.155 0.000 0.971 313 M CB 1.836 34.507 32.600 0.118 0.000 1.657 313 M HN 0.437 nan 8.290 nan 0.000 0.470 314 L N 2.171 123.453 121.223 0.099 0.000 2.406 314 L HA 0.716 5.059 4.340 0.005 0.000 0.272 314 L C -1.592 175.237 176.870 -0.069 0.000 0.980 314 L CA -0.442 54.368 54.840 -0.051 0.000 0.831 314 L CB 2.105 44.105 42.059 -0.099 0.000 1.253 314 L HN 0.666 nan 8.230 nan 0.000 0.406 315 V N 3.789 123.637 119.914 -0.110 0.000 2.487 315 V HA 0.461 4.584 4.120 0.005 0.000 0.298 315 V C -0.647 175.238 176.094 -0.348 0.000 1.028 315 V CA -0.520 61.709 62.300 -0.119 0.000 0.860 315 V CB 1.634 33.479 31.823 0.038 0.000 0.991 315 V HN 0.839 nan 8.190 nan 0.000 0.427 316 c N 4.901 123.256 118.600 -0.407 0.000 2.521 316 c HA 0.744 5.317 4.570 0.005 0.000 0.291 316 c C 1.291 175.231 174.090 -0.250 0.000 1.074 316 c CA 0.245 56.085 56.329 -0.814 0.000 1.495 316 c CB -0.542 41.515 42.510 -0.755 0.000 1.862 316 c HN 1.385 nan 8.230 nan 0.000 0.418 317 G N 4.268 113.060 108.800 -0.014 0.000 2.574 317 G HA2 -0.303 3.660 3.960 0.005 0.000 0.301 317 G HA3 -0.303 3.660 3.960 0.005 0.000 0.301 317 G C 0.827 175.579 174.900 -0.246 0.000 1.166 317 G CA 0.874 46.006 45.100 0.052 0.000 0.971 317 G HN 0.691 nan 8.290 nan 0.000 0.542 318 D N 1.257 121.431 120.400 -0.377 0.000 2.339 318 D HA 0.102 4.745 4.640 0.005 0.000 0.217 318 D C 0.324 176.509 176.300 -0.191 0.000 1.050 318 D CA 0.706 54.307 54.000 -0.664 0.000 0.856 318 D CB -0.018 40.353 40.800 -0.716 0.000 0.922 318 D HN 0.365 nan 8.370 nan 0.000 0.518 319 D N 1.037 121.374 120.400 -0.105 0.000 2.295 319 D HA 0.290 4.933 4.640 0.005 0.000 0.248 319 D C -0.876 175.409 176.300 -0.025 0.000 1.154 319 D CA -0.471 53.509 54.000 -0.033 0.000 0.857 319 D CB 1.015 41.788 40.800 -0.044 0.000 1.117 319 D HN 0.098 nan 8.370 nan 0.000 0.468 320 L N 4.335 125.588 121.223 0.051 0.000 2.408 320 L HA 0.559 4.901 4.340 0.005 0.000 0.268 320 L C -1.727 175.145 176.870 0.003 0.000 0.986 320 L CA -0.603 54.272 54.840 0.058 0.000 0.820 320 L CB 2.151 44.314 42.059 0.173 0.000 1.303 320 L HN 0.162 nan 8.230 nan 0.000 0.411 321 V N 5.030 124.899 119.914 -0.075 0.000 2.709 321 V HA 0.661 4.784 4.120 0.005 0.000 0.308 321 V C -0.962 174.964 176.094 -0.280 0.000 1.062 321 V CA -0.583 61.608 62.300 -0.181 0.000 0.901 321 V CB 2.327 34.096 31.823 -0.090 0.000 1.003 321 V HN 0.548 nan 8.190 nan 0.000 0.425 322 V N 6.238 125.779 119.914 -0.623 0.000 2.483 322 V HA 0.550 4.673 4.120 0.005 0.000 0.297 322 V C -0.477 175.360 176.094 -0.427 0.000 1.027 322 V CA -0.386 61.555 62.300 -0.599 0.000 0.855 322 V CB 1.828 33.048 31.823 -1.005 0.000 0.995 322 V HN 0.675 nan 8.190 nan 0.000 0.424 323 I N 4.932 125.404 120.570 -0.164 0.000 2.389 323 I HA 0.639 4.812 4.170 0.005 0.000 0.288 323 I C 0.250 176.318 176.117 -0.083 0.000 0.999 323 I CA 0.120 61.383 61.300 -0.062 0.000 1.129 323 I CB 1.895 39.919 38.000 0.041 0.000 1.288 323 I HN 0.802 nan 8.210 nan 0.000 0.444 324 S N 4.334 119.983 115.700 -0.085 0.000 2.851 324 S HA 0.519 4.992 4.470 0.005 0.000 0.313 324 S C -0.817 173.718 174.600 -0.108 0.000 1.163 324 S CA -1.055 57.100 58.200 -0.075 0.000 0.850 324 S CB 1.799 64.988 63.200 -0.018 0.000 1.245 324 S HN 0.394 nan 8.310 nan 0.000 0.558 325 E N 1.815 121.969 120.200 -0.077 0.000 2.290 325 E HA 0.282 4.635 4.350 0.005 0.000 0.277 325 E C -0.194 176.382 176.600 -0.039 0.000 1.035 325 E CA 0.037 56.389 56.400 -0.081 0.000 0.873 325 E CB 1.465 31.129 29.700 -0.059 0.000 1.029 325 E HN 0.560 nan 8.360 nan 0.000 0.419 326 S N 2.605 118.288 115.700 -0.029 0.000 2.564 326 S HA 0.014 4.486 4.470 0.005 0.000 0.278 326 S C 0.530 175.147 174.600 0.027 0.000 1.333 326 S CA -0.200 58.030 58.200 0.051 0.000 1.048 326 S CB 0.416 63.701 63.200 0.141 0.000 0.900 326 S HN 0.291 nan 8.310 nan 0.000 0.505 327 Q N 2.266 122.090 119.800 0.041 0.000 2.155 327 Q HA 0.303 4.646 4.340 0.005 0.000 0.220 327 Q C 0.637 176.647 176.000 0.017 0.000 0.819 327 Q CA 0.431 56.245 55.803 0.018 0.000 1.032 327 Q CB 0.473 29.220 28.738 0.015 0.000 1.151 327 Q HN 1.045 nan 8.270 nan 0.000 0.487 328 G N 0.825 109.640 108.800 0.025 0.000 2.712 328 G HA2 -0.258 3.705 3.960 0.005 0.000 0.686 328 G HA3 -0.258 3.705 3.960 0.005 0.000 0.686 328 G C 0.718 175.637 174.900 0.032 0.000 1.181 328 G CA -0.074 45.024 45.100 -0.003 0.000 0.762 328 G HN 0.113 nan 8.290 nan 0.000 0.641 329 T N -0.911 113.641 114.554 -0.004 0.000 2.665 329 T HA -0.196 4.157 4.350 0.005 0.000 0.268 329 T C 1.832 176.565 174.700 0.055 0.000 1.035 329 T CA 2.380 64.515 62.100 0.059 0.000 1.151 329 T CB -0.266 68.598 68.868 -0.007 0.000 0.862 329 T HN 0.715 nan 8.240 nan 0.000 0.438 330 E N 1.161 121.373 120.200 0.019 0.000 2.058 330 E HA -0.128 4.225 4.350 0.005 0.000 0.194 330 E C 2.271 178.879 176.600 0.014 0.000 0.997 330 E CA 1.573 57.981 56.400 0.013 0.000 0.801 330 E CB -0.361 29.340 29.700 0.002 0.000 0.746 330 E HN 0.670 nan 8.360 nan 0.000 0.450 331 E N 0.267 120.476 120.200 0.015 0.000 2.107 331 E HA -0.147 4.206 4.350 0.005 0.000 0.191 331 E C 1.367 177.976 176.600 0.014 0.000 0.982 331 E CA 1.349 57.756 56.400 0.011 0.000 0.809 331 E CB -0.143 29.563 29.700 0.010 0.000 0.756 331 E HN 0.226 nan 8.360 nan 0.000 0.459 332 D N 0.464 120.886 120.400 0.037 0.000 2.117 332 D HA -0.153 4.489 4.640 0.005 0.000 0.197 332 D C 1.653 177.941 176.300 -0.019 0.000 0.987 332 D CA 1.093 55.111 54.000 0.031 0.000 0.829 332 D CB -0.120 40.746 40.800 0.111 0.000 0.961 332 D HN 0.400 nan 8.370 nan 0.000 0.460 333 E N 0.312 120.512 120.200 0.000 0.000 2.106 333 E HA -0.136 4.216 4.350 0.005 0.000 0.192 333 E C 2.182 178.760 176.600 -0.037 0.000 0.984 333 E CA 0.382 56.766 56.400 -0.027 0.000 0.806 333 E CB 0.067 29.767 29.700 -0.000 0.000 0.750 333 E HN 0.137 nan 8.360 nan 0.000 0.458 334 R N 1.118 121.606 120.500 -0.020 0.000 2.073 334 R HA -0.128 4.215 4.340 0.005 0.000 0.234 334 R C 1.868 178.152 176.300 -0.026 0.000 1.134 334 R CA 1.824 57.913 56.100 -0.018 0.000 0.952 334 R CB -0.100 30.194 30.300 -0.010 0.000 0.850 334 R HN 0.165 nan 8.270 nan 0.000 0.433 335 N N 0.022 118.704 118.700 -0.029 0.000 2.166 335 N HA -0.162 4.581 4.740 0.005 0.000 0.186 335 N C 1.800 177.278 175.510 -0.053 0.000 1.019 335 N CA 0.946 53.978 53.050 -0.029 0.000 0.856 335 N CB -0.030 38.444 38.487 -0.021 0.000 0.993 335 N HN 0.202 nan 8.380 nan 0.000 0.426 336 L N 0.871 122.012 121.223 -0.137 0.000 2.093 336 L HA -0.099 4.244 4.340 0.005 0.000 0.208 336 L C 2.396 179.226 176.870 -0.066 0.000 1.085 336 L CA 1.030 55.718 54.840 -0.254 0.000 0.755 336 L CB -0.138 41.686 42.059 -0.392 0.000 0.904 336 L HN 0.195 nan 8.230 nan 0.000 0.435 337 R N -0.648 119.829 120.500 -0.037 0.000 2.092 337 R HA -0.102 4.241 4.340 0.005 0.000 0.231 337 R C 2.338 178.641 176.300 0.005 0.000 1.119 337 R CA 1.168 57.267 56.100 -0.001 0.000 0.970 337 R CB -0.302 29.990 30.300 -0.013 0.000 0.864 337 R HN 0.329 nan 8.270 nan 0.000 0.440 338 A N 0.804 123.621 122.820 -0.005 0.000 1.902 338 A HA -0.199 4.124 4.320 0.005 0.000 0.217 338 A C 1.926 179.488 177.584 -0.038 0.000 1.181 338 A CA 1.091 53.111 52.037 -0.029 0.000 0.623 338 A CB -0.617 18.365 19.000 -0.029 0.000 0.818 338 A HN 0.378 nan 8.150 nan 0.000 0.443 339 F N 1.407 121.276 119.950 -0.135 0.000 2.095 339 F HA -0.177 4.353 4.527 0.005 0.000 0.298 339 F C 2.454 178.155 175.800 -0.165 0.000 1.104 339 F CA 2.412 60.323 58.000 -0.149 0.000 1.232 339 F CB -0.701 38.215 39.000 -0.140 0.000 0.987 339 F HN 0.203 nan 8.300 nan 0.000 0.475 340 T N 0.222 114.839 114.554 0.104 0.000 2.720 340 T HA -0.213 4.139 4.350 0.005 0.000 0.268 340 T C 1.688 176.349 174.700 -0.064 0.000 1.037 340 T CA 1.883 64.049 62.100 0.109 0.000 1.144 340 T CB -0.394 68.620 68.868 0.243 0.000 0.864 340 T HN 0.416 nan 8.240 nan 0.000 0.444 341 E N 0.956 121.102 120.200 -0.091 0.000 2.153 341 E HA -0.028 4.325 4.350 0.005 0.000 0.194 341 E C 2.504 178.952 176.600 -0.254 0.000 0.988 341 E CA 0.903 57.227 56.400 -0.127 0.000 0.811 341 E CB -0.185 29.459 29.700 -0.094 0.000 0.746 341 E HN 0.495 nan 8.360 nan 0.000 0.466 342 A N 1.219 123.815 122.820 -0.374 0.000 1.872 342 A HA -0.144 4.178 4.320 0.005 0.000 0.214 342 A C 2.152 179.214 177.584 -0.869 0.000 1.187 342 A CA 1.016 52.670 52.037 -0.639 0.000 0.614 342 A CB -0.259 18.384 19.000 -0.595 0.000 0.826 342 A HN 0.092 nan 8.150 nan 0.000 0.442 343 M N 0.035 119.237 119.600 -0.664 0.000 2.149 343 M HA -0.131 4.352 4.480 0.005 0.000 0.261 343 M C 2.164 178.346 176.300 -0.197 0.000 1.064 343 M CA 2.056 57.096 55.300 -0.433 0.000 1.102 343 M CB -1.910 30.369 32.600 -0.536 0.000 1.369 343 M HN 0.468 nan 8.290 nan 0.000 0.408 344 T N 0.137 114.591 114.554 -0.167 0.000 2.708 344 T HA -0.124 4.229 4.350 0.005 0.000 0.266 344 T C 1.943 176.584 174.700 -0.097 0.000 1.037 344 T CA 1.180 63.237 62.100 -0.071 0.000 1.146 344 T CB -0.206 68.630 68.868 -0.053 0.000 0.865 344 T HN 0.398 nan 8.240 nan 0.000 0.435 345 R N 0.201 120.579 120.500 -0.204 0.000 2.105 345 R HA -0.081 4.262 4.340 0.005 0.000 0.239 345 R C 1.734 178.014 176.300 -0.034 0.000 1.135 345 R CA 1.205 57.213 56.100 -0.155 0.000 0.967 345 R CB -0.390 29.768 30.300 -0.236 0.000 0.861 345 R HN 0.440 nan 8.270 nan 0.000 0.442 346 Y N 0.417 120.672 120.300 -0.075 0.000 2.519 346 Y HA 0.081 4.634 4.550 0.005 0.000 0.311 346 Y C 0.839 176.697 175.900 -0.070 0.000 1.207 346 Y CA -0.410 57.634 58.100 -0.092 0.000 1.289 346 Y CB -0.511 37.920 38.460 -0.047 0.000 1.059 346 Y HN -0.020 nan 8.280 nan 0.000 0.507 347 S N -0.051 115.697 115.700 0.079 0.000 3.886 347 S HA -0.102 4.370 4.470 0.005 0.000 0.398 347 S C 0.046 174.670 174.600 0.040 0.000 0.931 347 S CA 0.480 58.709 58.200 0.049 0.000 1.217 347 S CB -1.382 61.831 63.200 0.021 0.000 0.874 347 S HN 0.738 nan 8.310 nan 0.000 0.521 348 A N 2.026 124.890 122.820 0.073 0.000 3.415 348 A HA 0.547 4.870 4.320 0.005 0.000 0.244 348 A C -2.221 175.492 177.584 0.216 0.000 0.988 348 A CA -0.597 51.517 52.037 0.128 0.000 0.991 348 A CB 0.825 19.940 19.000 0.191 0.000 1.240 348 A HN 0.475 nan 8.150 nan 0.000 0.541 349 P HA 0.225 nan 4.420 nan 0.000 0.269 349 P C -2.903 174.455 177.300 0.097 0.000 1.209 349 P CA -0.680 62.477 63.100 0.095 0.000 0.776 349 P CB 0.622 32.312 31.700 -0.016 0.000 0.876 350 P HA 0.133 nan 4.420 nan 0.000 0.282 350 P C 0.566 177.792 177.300 -0.124 0.000 1.249 350 P CA -0.022 62.978 63.100 -0.167 0.000 0.806 350 P CB 1.269 32.848 31.700 -0.201 0.000 0.984 351 G N 2.446 111.160 108.800 -0.142 0.000 2.670 351 G HA2 0.010 3.973 3.960 0.005 0.000 0.219 351 G HA3 0.010 3.973 3.960 0.005 0.000 0.219 351 G C -0.551 174.296 174.900 -0.089 0.000 1.342 351 G CA 0.092 45.140 45.100 -0.086 0.000 0.902 351 G HN 0.489 nan 8.290 nan 0.000 0.553 352 D N 2.643 122.988 120.400 -0.092 0.000 2.325 352 D HA 0.356 4.999 4.640 0.005 0.000 0.251 352 D C -2.128 174.120 176.300 -0.087 0.000 1.196 352 D CA -0.997 52.961 54.000 -0.070 0.000 0.866 352 D CB 1.375 42.145 40.800 -0.050 0.000 1.101 352 D HN 0.134 nan 8.370 nan 0.000 0.476 353 P HA 0.055 nan 4.420 nan 0.000 0.264 353 P C -2.395 174.891 177.300 -0.024 0.000 1.183 353 P CA -0.973 62.103 63.100 -0.039 0.000 0.763 353 P CB -0.063 31.625 31.700 -0.020 0.000 0.807 354 P HA 0.165 nan 4.420 nan 0.000 0.271 354 P C -0.397 176.879 177.300 -0.040 0.000 1.216 354 P CA 0.006 63.123 63.100 0.027 0.000 0.776 354 P CB 0.814 32.578 31.700 0.108 0.000 0.881 355 R N 2.574 123.065 120.500 -0.016 0.000 2.628 355 R HA 0.611 4.954 4.340 0.005 0.000 0.288 355 R C -2.808 173.475 176.300 -0.029 0.000 0.980 355 R CA -2.377 53.704 56.100 -0.033 0.000 0.891 355 R CB 1.360 31.660 30.300 0.000 0.000 1.188 355 R HN 0.232 nan 8.270 nan 0.000 0.450 356 P HA 0.041 nan 4.420 nan 0.000 0.268 356 P C -0.950 176.208 177.300 -0.238 0.000 1.205 356 P CA 0.136 63.142 63.100 -0.157 0.000 0.771 356 P CB 0.923 32.529 31.700 -0.156 0.000 0.858 357 E N 2.161 122.162 120.200 -0.330 0.000 2.222 357 E HA 0.228 4.580 4.350 0.005 0.000 0.267 357 E C -0.572 175.823 176.600 -0.342 0.000 0.884 357 E CA -0.473 55.792 56.400 -0.226 0.000 0.764 357 E CB 1.491 31.156 29.700 -0.059 0.000 1.169 357 E HN 0.468 nan 8.360 nan 0.000 0.413 358 Y N -0.180 120.249 120.300 0.215 0.000 2.641 358 Y HA 0.182 4.735 4.550 0.005 0.000 0.248 358 Y C 0.233 176.338 175.900 0.341 0.000 1.170 358 Y CA -0.458 57.840 58.100 0.330 0.000 1.201 358 Y CB 1.105 39.668 38.460 0.172 0.000 1.232 358 Y HN 0.240 nan 8.280 nan 0.000 0.537 359 D N 0.849 121.355 120.400 0.177 0.000 2.549 359 D HA 0.142 4.785 4.640 0.005 0.000 0.251 359 D C 0.785 176.831 176.300 -0.424 0.000 1.153 359 D CA -0.187 53.782 54.000 -0.051 0.000 0.861 359 D CB 1.574 42.338 40.800 -0.059 0.000 1.207 359 D HN 0.195 nan 8.370 nan 0.000 0.543 360 L N 3.259 123.957 121.223 -0.875 0.000 2.043 360 L HA -0.149 4.193 4.340 0.005 0.000 0.212 360 L C 1.914 178.445 176.870 -0.565 0.000 1.075 360 L CA 1.467 55.623 54.840 -1.139 0.000 0.752 360 L CB 0.038 41.301 42.059 -1.327 0.000 0.891 360 L HN 0.597 nan 8.230 nan 0.000 0.432 361 E N -0.381 119.580 120.200 -0.399 0.000 2.267 361 E HA -0.241 4.112 4.350 0.005 0.000 0.197 361 E C 1.698 178.122 176.600 -0.294 0.000 0.998 361 E CA 0.792 57.015 56.400 -0.294 0.000 0.830 361 E CB 0.114 29.659 29.700 -0.259 0.000 0.751 361 E HN 0.385 nan 8.360 nan 0.000 0.491 362 L N 0.569 121.612 121.223 -0.299 0.000 2.592 362 L HA 0.212 4.555 4.340 0.005 0.000 0.227 362 L C 0.301 177.085 176.870 -0.143 0.000 1.127 362 L CA 0.403 55.112 54.840 -0.218 0.000 0.884 362 L CB 0.236 42.185 42.059 -0.182 0.000 1.065 362 L HN 0.071 nan 8.230 nan 0.000 0.457 363 I N -0.322 120.139 120.570 -0.182 0.000 2.325 363 I HA 0.147 4.320 4.170 0.005 0.000 0.291 363 I C 0.055 176.117 176.117 -0.092 0.000 1.019 363 I CA -0.003 61.220 61.300 -0.129 0.000 1.302 363 I CB 0.979 38.878 38.000 -0.169 0.000 1.401 363 I HN -0.051 nan 8.210 nan 0.000 0.485 364 T N 4.747 119.272 114.554 -0.048 0.000 2.767 364 T HA 0.297 4.650 4.350 0.005 0.000 0.284 364 T C -0.158 174.529 174.700 -0.021 0.000 0.973 364 T CA -0.422 61.662 62.100 -0.026 0.000 0.996 364 T CB 1.166 70.029 68.868 -0.009 0.000 0.927 364 T HN 0.581 nan 8.240 nan 0.000 0.456 365 S N 1.476 117.165 115.700 -0.018 0.000 2.521 365 S HA 0.354 4.827 4.470 0.005 0.000 0.295 365 S C 0.467 175.057 174.600 -0.016 0.000 1.098 365 S CA -0.640 57.544 58.200 -0.026 0.000 0.999 365 S CB 0.192 63.371 63.200 -0.034 0.000 1.034 365 S HN 0.983 nan 8.310 nan 0.000 0.483 366 c N 3.500 122.078 118.600 -0.037 0.000 3.886 366 c HA -0.148 4.425 4.570 0.005 0.000 0.295 366 c C 1.294 175.409 174.090 0.041 0.000 1.411 366 c CA 0.660 56.975 56.329 -0.023 0.000 2.059 366 c CB -3.380 39.089 42.510 -0.068 0.000 1.329 366 c HN 1.355 nan 8.230 nan 0.000 0.670 367 S N -2.559 113.164 115.700 0.038 0.000 3.084 367 S HA -0.192 4.281 4.470 0.005 0.000 0.277 367 S C 0.363 175.012 174.600 0.082 0.000 1.295 367 S CA 1.383 59.617 58.200 0.057 0.000 1.170 367 S CB -0.960 62.286 63.200 0.077 0.000 1.412 367 S HN 1.050 nan 8.310 nan 0.000 0.669 368 S N 1.643 117.396 115.700 0.088 0.000 2.709 368 S HA 0.793 5.266 4.470 0.005 0.000 0.302 368 S C -0.501 174.129 174.600 0.049 0.000 1.127 368 S CA -0.752 57.518 58.200 0.118 0.000 0.905 368 S CB 1.772 65.108 63.200 0.228 0.000 1.151 368 S HN 0.601 nan 8.310 nan 0.000 0.510 369 N N -0.784 117.941 118.700 0.042 0.000 2.494 369 N HA 0.442 5.185 4.740 0.005 0.000 0.270 369 N C -1.735 173.738 175.510 -0.061 0.000 1.285 369 N CA -0.544 52.490 53.050 -0.027 0.000 0.812 369 N CB 1.154 39.618 38.487 -0.039 0.000 1.557 369 N HN 0.333 nan 8.380 nan 0.000 0.487 370 V N 0.485 120.326 119.914 -0.122 0.000 2.546 370 V HA 0.507 4.629 4.120 0.005 0.000 0.284 370 V C 0.397 176.371 176.094 -0.201 0.000 1.050 370 V CA -0.159 62.044 62.300 -0.161 0.000 0.981 370 V CB 0.999 32.728 31.823 -0.157 0.000 0.990 370 V HN 0.855 nan 8.190 nan 0.000 0.474 371 S N 2.715 118.208 115.700 -0.344 0.000 2.732 371 S HA 0.833 5.306 4.470 0.005 0.000 0.293 371 S C -1.296 173.173 174.600 -0.219 0.000 1.159 371 S CA -0.451 57.576 58.200 -0.289 0.000 0.847 371 S CB 2.081 65.085 63.200 -0.327 0.000 1.169 371 S HN 0.665 nan 8.310 nan 0.000 0.501 372 V N 0.708 120.604 119.914 -0.030 0.000 2.962 372 V HA 1.013 5.136 4.120 0.005 0.000 0.313 372 V C -0.629 175.467 176.094 0.003 0.000 1.099 372 V CA 0.242 62.488 62.300 -0.091 0.000 0.971 372 V CB 1.527 33.184 31.823 -0.278 0.000 1.028 372 V HN 1.392 nan 8.190 nan 0.000 0.430 373 A N 4.510 127.227 122.820 -0.173 0.000 2.581 373 A HA 0.845 5.168 4.320 0.005 0.000 0.290 373 A C -1.882 175.449 177.584 -0.423 0.000 1.119 373 A CA -0.762 51.054 52.037 -0.368 0.000 0.670 373 A CB 1.384 19.989 19.000 -0.659 0.000 1.280 373 A HN 0.881 nan 8.150 nan 0.000 0.425 374 L N 0.910 121.788 121.223 -0.575 0.000 2.322 374 L HA 0.642 4.985 4.340 0.005 0.000 0.279 374 L C 1.028 177.642 176.870 -0.426 0.000 1.036 374 L CA -0.681 53.841 54.840 -0.530 0.000 0.807 374 L CB 1.590 43.248 42.059 -0.667 0.000 1.226 374 L HN 0.927 nan 8.230 nan 0.000 0.433 375 G N 0.992 109.686 108.800 -0.176 0.000 2.547 375 G HA2 0.325 4.287 3.960 0.005 0.000 0.291 375 G HA3 0.325 4.287 3.960 0.005 0.000 0.291 375 G C -1.624 173.347 174.900 0.118 0.000 1.211 375 G CA -0.958 44.120 45.100 -0.037 0.000 0.950 375 G HN 0.498 nan 8.290 nan 0.000 0.504 376 P HA -0.178 nan 4.420 nan 0.000 0.218 376 P C 1.278 178.619 177.300 0.068 0.000 1.146 376 P CA 1.297 64.448 63.100 0.085 0.000 0.813 376 P CB 0.226 31.949 31.700 0.038 0.000 0.778 377 Q N -0.610 119.222 119.800 0.054 0.000 2.451 377 Q HA 0.105 4.447 4.340 0.005 0.000 0.206 377 Q C 1.468 177.495 176.000 0.045 0.000 0.947 377 Q CA 1.321 57.146 55.803 0.037 0.000 0.937 377 Q CB -1.108 27.643 28.738 0.022 0.000 1.025 377 Q HN 0.317 nan 8.270 nan 0.000 0.511 378 G N 1.681 110.524 108.800 0.073 0.000 2.175 378 G HA2 -0.320 3.643 3.960 0.005 0.000 0.244 378 G HA3 -0.320 3.643 3.960 0.005 0.000 0.244 378 G C 0.105 174.995 174.900 -0.016 0.000 0.982 378 G CA 0.133 45.266 45.100 0.054 0.000 0.641 378 G HN 0.661 nan 8.290 nan 0.000 0.527 379 R N 0.011 120.494 120.500 -0.028 0.000 2.528 379 R HA 0.746 5.088 4.340 0.005 0.000 0.271 379 R C 0.302 176.538 176.300 -0.107 0.000 1.056 379 R CA -0.839 55.233 56.100 -0.047 0.000 1.117 379 R CB 0.951 31.238 30.300 -0.022 0.000 1.085 379 R HN 0.222 nan 8.270 nan 0.000 0.530 380 R N 1.207 121.633 120.500 -0.125 0.000 2.543 380 R HA 0.206 4.549 4.340 0.005 0.000 0.277 380 R C -0.208 175.928 176.300 -0.273 0.000 1.074 380 R CA -0.010 55.943 56.100 -0.245 0.000 1.076 380 R CB 0.655 30.797 30.300 -0.265 0.000 0.993 380 R HN 0.527 nan 8.270 nan 0.000 0.459 381 R N 2.720 122.991 120.500 -0.381 0.000 2.538 381 R HA 0.241 4.584 4.340 0.005 0.000 0.292 381 R C -1.258 174.866 176.300 -0.293 0.000 1.008 381 R CA -0.793 55.162 56.100 -0.241 0.000 0.896 381 R CB 1.547 31.775 30.300 -0.121 0.000 1.187 381 R HN 0.489 nan 8.270 nan 0.000 0.440 382 Y N 2.191 122.537 120.300 0.077 0.000 2.376 382 Y HA 0.427 4.979 4.550 0.005 0.000 0.325 382 Y C 0.183 176.191 175.900 0.179 0.000 1.199 382 Y CA -0.362 57.786 58.100 0.080 0.000 1.206 382 Y CB 1.085 39.538 38.460 -0.011 0.000 1.229 382 Y HN 0.525 nan 8.280 nan 0.000 0.480 383 Y N -0.413 119.980 120.300 0.155 0.000 2.689 383 Y HA 0.651 5.204 4.550 0.005 0.000 0.333 383 Y C -2.282 173.706 175.900 0.147 0.000 1.208 383 Y CA -1.783 56.390 58.100 0.123 0.000 1.055 383 Y CB 0.729 39.228 38.460 0.066 0.000 1.304 383 Y HN 0.470 nan 8.280 nan 0.000 0.455 384 L N 2.120 123.451 121.223 0.180 0.000 2.289 384 L HA 0.776 5.119 4.340 0.005 0.000 0.285 384 L C -0.021 177.086 176.870 0.394 0.000 1.049 384 L CA 0.486 55.428 54.840 0.171 0.000 0.804 384 L CB 1.395 43.582 42.059 0.212 0.000 1.195 384 L HN 1.025 nan 8.230 nan 0.000 0.428 385 T N 4.327 119.053 114.554 0.288 0.000 2.654 385 T HA 0.884 5.237 4.350 0.005 0.000 0.289 385 T C -1.303 173.485 174.700 0.146 0.000 1.062 385 T CA -0.464 61.849 62.100 0.355 0.000 1.041 385 T CB 1.113 70.202 68.868 0.368 0.000 1.417 385 T HN 0.889 nan 8.240 nan 0.000 0.510 386 R N 0.330 120.827 120.500 -0.004 0.000 2.774 386 R HA 0.385 4.728 4.340 0.005 0.000 0.279 386 R C -1.672 174.413 176.300 -0.358 0.000 1.022 386 R CA -0.980 55.023 56.100 -0.161 0.000 0.855 386 R CB 0.168 30.336 30.300 -0.220 0.000 1.279 386 R HN 0.558 nan 8.270 nan 0.000 0.485 387 D N 2.054 122.267 120.400 -0.311 0.000 2.450 387 D HA 0.049 4.692 4.640 0.005 0.000 0.247 387 D C -1.371 174.546 176.300 -0.639 0.000 1.162 387 D CA -1.166 52.600 54.000 -0.391 0.000 0.879 387 D CB 1.237 41.896 40.800 -0.235 0.000 1.163 387 D HN 0.368 nan 8.370 nan 0.000 0.472 388 P HA 0.009 nan 4.420 nan 0.000 0.255 388 P C 1.100 178.058 177.300 -0.570 0.000 1.248 388 P CA 0.062 62.458 63.100 -1.174 0.000 0.807 388 P CB 0.398 31.155 31.700 -1.572 0.000 1.150 389 T N 0.096 114.429 114.554 -0.369 0.000 2.622 389 T HA -0.128 4.224 4.350 0.005 0.000 0.266 389 T C 1.802 176.414 174.700 -0.147 0.000 1.047 389 T CA 2.441 64.420 62.100 -0.202 0.000 1.159 389 T CB -1.125 67.665 68.868 -0.130 0.000 0.863 389 T HN 0.194 nan 8.240 nan 0.000 0.422 390 T N 2.198 116.671 114.554 -0.136 0.000 2.777 390 T HA -0.037 4.316 4.350 0.005 0.000 0.266 390 T C -0.577 174.054 174.700 -0.115 0.000 1.040 390 T CA 1.104 63.136 62.100 -0.113 0.000 1.141 390 T CB -1.181 67.641 68.868 -0.078 0.000 0.868 390 T HN 0.328 nan 8.240 nan 0.000 0.444 391 P HA 0.014 nan 4.420 nan 0.000 0.215 391 P C 1.400 178.744 177.300 0.073 0.000 1.153 391 P CA 0.961 64.063 63.100 0.002 0.000 0.853 391 P CB -0.145 31.549 31.700 -0.010 0.000 0.788 392 I N -1.017 119.548 120.570 -0.008 0.000 2.286 392 I HA -0.185 3.987 4.170 0.005 0.000 0.245 392 I C 2.321 178.466 176.117 0.046 0.000 1.104 392 I CA 1.186 62.510 61.300 0.040 0.000 1.397 392 I CB -0.874 37.097 38.000 -0.047 0.000 1.072 392 I HN -0.105 nan 8.210 nan 0.000 0.417 393 A N 1.231 124.052 122.820 0.001 0.000 1.908 393 A HA -0.225 4.098 4.320 0.005 0.000 0.218 393 A C 2.404 180.035 177.584 0.078 0.000 1.181 393 A CA 1.685 53.735 52.037 0.022 0.000 0.627 393 A CB -0.579 18.401 19.000 -0.032 0.000 0.818 393 A HN 0.350 nan 8.150 nan 0.000 0.445 394 R N -0.826 119.701 120.500 0.045 0.000 2.115 394 R HA 0.061 4.403 4.340 0.005 0.000 0.226 394 R C 2.459 178.923 176.300 0.274 0.000 1.100 394 R CA 0.932 57.090 56.100 0.096 0.000 0.980 394 R CB -0.387 29.912 30.300 -0.001 0.000 0.875 394 R HN 0.506 nan 8.270 nan 0.000 0.445 395 A N 1.456 124.460 122.820 0.306 0.000 1.933 395 A HA -0.100 4.223 4.320 0.005 0.000 0.218 395 A C 2.362 180.193 177.584 0.411 0.000 1.175 395 A CA 1.651 53.993 52.037 0.508 0.000 0.628 395 A CB -0.535 18.817 19.000 0.587 0.000 0.814 395 A HN 0.372 nan 8.150 nan 0.000 0.444 396 A N -1.205 121.747 122.820 0.221 0.000 1.877 396 A HA -0.172 4.150 4.320 0.005 0.000 0.216 396 A C 2.114 179.810 177.584 0.188 0.000 1.186 396 A CA 1.401 53.512 52.037 0.123 0.000 0.620 396 A CB -0.897 18.142 19.000 0.065 0.000 0.822 396 A HN 0.834 nan 8.150 nan 0.000 0.443 397 W N 1.269 122.605 121.300 0.061 0.000 2.355 397 W HA -0.155 4.508 4.660 0.004 0.000 0.309 397 W C 1.484 178.045 176.519 0.069 0.000 1.206 397 W CA 1.949 59.323 57.345 0.049 0.000 1.284 397 W CB -0.399 29.077 29.460 0.025 0.000 1.145 397 W HN 0.556 nan 8.180 nan 0.000 0.502 398 E N -0.498 119.973 120.200 0.451 0.000 2.515 398 E HA -0.119 4.234 4.350 0.005 0.000 0.201 398 E C 1.829 178.561 176.600 0.220 0.000 1.071 398 E CA 1.144 57.773 56.400 0.383 0.000 0.880 398 E CB -0.078 29.931 29.700 0.516 0.000 0.828 398 E HN 0.147 nan 8.360 nan 0.000 0.540 399 T N 0.050 114.683 114.554 0.132 0.000 2.894 399 T HA -0.050 4.303 4.350 0.005 0.000 0.258 399 T C 1.985 176.545 174.700 -0.233 0.000 1.043 399 T CA 0.575 62.681 62.100 0.011 0.000 1.141 399 T CB 0.182 69.088 68.868 0.063 0.000 0.873 399 T HN -0.007 nan 8.240 nan 0.000 0.449 400 V N 1.054 120.831 119.914 -0.229 0.000 2.278 400 V HA 0.093 4.216 4.120 0.005 0.000 0.238 400 V C 1.085 176.963 176.094 -0.361 0.000 1.039 400 V CA 0.803 62.925 62.300 -0.296 0.000 1.017 400 V CB -0.226 31.414 31.823 -0.305 0.000 0.657 400 V HN 0.199 nan 8.190 nan 0.000 0.462 401 R N 1.479 121.791 120.500 -0.312 0.000 2.609 401 R HA 0.168 4.511 4.340 0.005 0.000 0.271 401 R C -0.358 175.949 176.300 0.011 0.000 1.403 401 R CA -0.132 55.885 56.100 -0.138 0.000 1.138 401 R CB -1.184 29.064 30.300 -0.087 0.000 1.142 401 R HN 0.552 nan 8.270 nan 0.000 0.559 402 H N 1.098 120.232 119.070 0.106 0.000 3.070 402 H HA -0.003 4.555 4.556 0.004 0.000 0.313 402 H C 0.640 176.048 175.328 0.133 0.000 0.997 402 H CA 0.455 56.590 56.048 0.144 0.000 1.438 402 H CB 0.516 30.346 29.762 0.113 0.000 1.455 402 H HN 0.449 nan 8.280 nan 0.000 0.575 403 S N 3.094 118.958 115.700 0.272 0.000 2.621 403 S HA 0.329 4.801 4.470 0.005 0.000 0.302 403 S C -1.711 172.957 174.600 0.112 0.000 1.093 403 S CA -1.497 56.805 58.200 0.170 0.000 1.017 403 S CB 2.275 65.575 63.200 0.165 0.000 1.077 403 S HN 0.211 nan 8.310 nan 0.000 0.517 404 P HA -0.024 nan 4.420 nan 0.000 0.215 404 P C -0.308 176.985 177.300 -0.011 0.000 1.157 404 P CA 0.886 63.969 63.100 -0.027 0.000 0.874 404 P CB 0.029 31.655 31.700 -0.123 0.000 0.790 405 V N 0.842 120.752 119.914 -0.007 0.000 2.417 405 V HA 0.239 4.362 4.120 0.005 0.000 0.291 405 V C -0.044 176.058 176.094 0.013 0.000 1.024 405 V CA -0.887 61.402 62.300 -0.018 0.000 0.861 405 V CB 1.533 33.325 31.823 -0.051 0.000 0.985 405 V HN 0.005 nan 8.190 nan 0.000 0.436 406 N N 2.338 121.016 118.700 -0.037 0.000 2.498 406 N HA 0.236 4.979 4.740 0.005 0.000 0.287 406 N C 0.970 176.394 175.510 -0.144 0.000 1.097 406 N CA 0.015 52.990 53.050 -0.124 0.000 0.973 406 N CB 2.116 40.288 38.487 -0.525 0.000 1.153 406 N HN 0.769 nan 8.380 nan 0.000 0.472 407 S N 1.014 116.691 115.700 -0.038 0.000 2.475 407 S HA -0.020 4.453 4.470 0.005 0.000 0.224 407 S C 1.713 176.312 174.600 -0.001 0.000 1.042 407 S CA -0.437 57.781 58.200 0.029 0.000 0.935 407 S CB -0.309 62.954 63.200 0.104 0.000 0.801 407 S HN 0.824 nan 8.310 nan 0.000 0.509 408 W N 1.792 123.051 121.300 -0.069 0.000 2.363 408 W HA 0.038 4.701 4.660 0.004 0.000 0.296 408 W C 1.696 178.041 176.519 -0.289 0.000 1.212 408 W CA 0.184 57.404 57.345 -0.208 0.000 1.260 408 W CB -1.037 28.038 29.460 -0.641 0.000 1.131 408 W HN 0.282 nan 8.180 nan 0.000 0.530 409 L N 1.738 122.289 121.223 -1.119 0.000 2.046 409 L HA -0.070 4.273 4.340 0.005 0.000 0.208 409 L C 2.788 179.208 176.870 -0.750 0.000 1.077 409 L CA 2.232 56.410 54.840 -1.103 0.000 0.747 409 L CB -1.189 40.061 42.059 -1.349 0.000 0.896 409 L HN 0.121 nan 8.230 nan 0.000 0.432 410 G N -0.476 107.987 108.800 -0.561 0.000 2.418 410 G HA2 -0.295 3.668 3.960 0.005 0.000 0.217 410 G HA3 -0.295 3.668 3.960 0.005 0.000 0.217 410 G C 1.338 176.168 174.900 -0.118 0.000 1.158 410 G CA 0.670 45.579 45.100 -0.319 0.000 0.771 410 G HN 0.357 nan 8.290 nan 0.000 0.545 411 N N 0.564 119.282 118.700 0.030 0.000 2.188 411 N HA -0.018 4.725 4.740 0.005 0.000 0.184 411 N C 2.264 177.837 175.510 0.106 0.000 1.018 411 N CA 0.672 53.865 53.050 0.240 0.000 0.858 411 N CB -0.159 38.572 38.487 0.405 0.000 0.989 411 N HN 0.329 nan 8.380 nan 0.000 0.426 412 I N 1.041 121.612 120.570 0.002 0.000 2.226 412 I HA -0.229 3.943 4.170 0.005 0.000 0.245 412 I C 2.042 178.105 176.117 -0.089 0.000 1.100 412 I CA 0.933 62.212 61.300 -0.035 0.000 1.374 412 I CB -0.118 37.904 38.000 0.038 0.000 1.057 412 I HN 0.053 nan 8.210 nan 0.000 0.413 413 I N 0.021 120.498 120.570 -0.155 0.000 2.233 413 I HA -0.303 3.869 4.170 0.005 0.000 0.243 413 I C 2.638 178.749 176.117 -0.011 0.000 1.093 413 I CA 1.379 62.607 61.300 -0.120 0.000 1.380 413 I CB -0.366 37.469 38.000 -0.276 0.000 1.067 413 I HN 0.296 nan 8.210 nan 0.000 0.413 414 Q N 0.283 120.023 119.800 -0.101 0.000 2.172 414 Q HA -0.155 4.188 4.340 0.005 0.000 0.200 414 Q C 0.770 176.558 176.000 -0.353 0.000 0.964 414 Q CA 1.456 57.131 55.803 -0.212 0.000 0.855 414 Q CB 0.206 28.708 28.738 -0.393 0.000 0.918 414 Q HN 0.579 nan 8.270 nan 0.000 0.444 415 Y N -1.405 118.856 120.300 -0.064 0.000 2.720 415 Y HA 0.407 4.960 4.550 0.004 0.000 0.268 415 Y C 1.322 176.942 175.900 -0.467 0.000 1.142 415 Y CA -0.170 57.790 58.100 -0.233 0.000 1.193 415 Y CB 0.367 38.634 38.460 -0.321 0.000 1.176 415 Y HN 0.160 nan 8.280 nan 0.000 0.542 416 A N 1.721 124.325 122.820 -0.360 0.000 1.958 416 A HA -0.188 4.135 4.320 0.005 0.000 0.221 416 A C -0.314 176.996 177.584 -0.456 0.000 1.178 416 A CA 1.750 53.554 52.037 -0.388 0.000 0.642 416 A CB -1.413 17.386 19.000 -0.335 0.000 0.816 416 A HN 0.279 nan 8.150 nan 0.000 0.453 417 P HA 0.023 nan 4.420 nan 0.000 0.245 417 P C 0.489 177.502 177.300 -0.478 0.000 1.206 417 P CA 1.072 63.886 63.100 -0.478 0.000 0.781 417 P CB -0.692 30.723 31.700 -0.474 0.000 0.994 418 T N -2.485 111.801 114.554 -0.446 0.000 2.898 418 T HA 0.180 4.533 4.350 0.005 0.000 0.301 418 T C 1.299 175.608 174.700 -0.652 0.000 1.049 418 T CA -0.616 61.202 62.100 -0.470 0.000 1.095 418 T CB 0.920 69.385 68.868 -0.672 0.000 0.976 418 T HN -0.123 nan 8.240 nan 0.000 0.539 419 I N 1.671 121.778 120.570 -0.771 0.000 2.394 419 I HA -0.023 4.150 4.170 0.005 0.000 0.251 419 I C 2.034 177.858 176.117 -0.489 0.000 1.136 419 I CA 0.862 61.659 61.300 -0.838 0.000 1.425 419 I CB -0.130 37.186 38.000 -1.140 0.000 1.079 419 I HN 0.869 nan 8.210 nan 0.000 0.425 420 W N -0.248 120.830 121.300 -0.371 0.000 2.436 420 W HA -0.025 4.638 4.660 0.004 0.000 0.284 420 W C 1.847 178.225 176.519 -0.235 0.000 1.225 420 W CA 0.520 57.688 57.345 -0.294 0.000 1.271 420 W CB -1.568 27.749 29.460 -0.238 0.000 1.114 420 W HN -0.053 nan 8.180 nan 0.000 0.559 421 V N 2.509 121.988 119.914 -0.724 0.000 2.323 421 V HA -0.229 3.894 4.120 0.005 0.000 0.244 421 V C 2.938 178.872 176.094 -0.266 0.000 1.041 421 V CA 1.967 63.958 62.300 -0.515 0.000 1.025 421 V CB -0.637 30.774 31.823 -0.687 0.000 0.656 421 V HN 0.052 nan 8.190 nan 0.000 0.451 422 R N -0.539 119.737 120.500 -0.373 0.000 2.066 422 R HA -0.071 4.272 4.340 0.005 0.000 0.232 422 R C 2.187 178.348 176.300 -0.231 0.000 1.131 422 R CA 1.572 57.474 56.100 -0.329 0.000 0.955 422 R CB -0.349 29.598 30.300 -0.589 0.000 0.851 422 R HN 0.443 nan 8.270 nan 0.000 0.432 423 M N -0.242 119.112 119.600 -0.409 0.000 2.394 423 M HA -0.031 4.451 4.480 0.005 0.000 0.266 423 M C 1.939 178.244 176.300 0.009 0.000 1.098 423 M CA 0.890 56.075 55.300 -0.192 0.000 1.149 423 M CB 0.409 32.800 32.600 -0.347 0.000 1.369 423 M HN -0.055 nan 8.290 nan 0.000 0.450 424 V N -0.102 119.659 119.914 -0.255 0.000 2.635 424 V HA -0.019 4.104 4.120 0.005 0.000 0.233 424 V C 2.122 178.043 176.094 -0.289 0.000 1.097 424 V CA 0.545 62.449 62.300 -0.661 0.000 1.134 424 V CB -0.617 30.733 31.823 -0.789 0.000 0.841 424 V HN 0.319 nan 8.190 nan 0.000 0.496 425 L N -0.544 120.664 121.223 -0.024 0.000 2.012 425 L HA -0.245 4.098 4.340 0.005 0.000 0.210 425 L C 2.619 179.752 176.870 0.439 0.000 1.073 425 L CA 2.017 57.030 54.840 0.289 0.000 0.748 425 L CB -0.567 41.710 42.059 0.363 0.000 0.891 425 L HN 0.339 nan 8.230 nan 0.000 0.431 426 M N -0.813 119.011 119.600 0.372 0.000 2.086 426 M HA -0.183 4.300 4.480 0.005 0.000 0.261 426 M C 2.331 179.130 176.300 0.832 0.000 1.067 426 M CA 2.062 57.708 55.300 0.577 0.000 1.116 426 M CB -0.569 32.218 32.600 0.312 0.000 1.348 426 M HN 0.261 nan 8.290 nan 0.000 0.407 427 T N -1.128 113.878 114.554 0.753 0.000 2.674 427 T HA -0.226 4.127 4.350 0.005 0.000 0.265 427 T C 1.724 176.714 174.700 0.483 0.000 1.039 427 T CA 1.513 64.043 62.100 0.716 0.000 1.150 427 T CB -0.625 68.682 68.868 0.733 0.000 0.864 427 T HN 0.491 nan 8.240 nan 0.000 0.427 428 H N -0.040 119.183 119.070 0.255 0.000 2.270 428 H HA -0.089 4.470 4.556 0.005 0.000 0.299 428 H C 2.083 177.292 175.328 -0.197 0.000 1.077 428 H CA 1.731 57.794 56.048 0.024 0.000 1.294 428 H CB -0.303 29.301 29.762 -0.262 0.000 1.371 428 H HN 0.345 nan 8.280 nan 0.000 0.491 429 F N -0.165 119.692 119.950 -0.154 0.000 2.234 429 F HA -0.107 4.423 4.527 0.005 0.000 0.299 429 F C 2.387 178.015 175.800 -0.285 0.000 1.087 429 F CA 0.674 58.395 58.000 -0.465 0.000 1.340 429 F CB -0.587 37.960 39.000 -0.755 0.000 1.031 429 F HN 0.117 nan 8.300 nan 0.000 0.500 430 F N -0.838 119.215 119.950 0.172 0.000 2.407 430 F HA -0.116 4.414 4.527 0.005 0.000 0.299 430 F C 2.642 178.466 175.800 0.040 0.000 1.097 430 F CA 1.194 59.290 58.000 0.159 0.000 1.422 430 F CB -0.733 38.426 39.000 0.265 0.000 1.067 430 F HN -0.094 nan 8.300 nan 0.000 0.539 431 S N 0.146 115.927 115.700 0.135 0.000 2.371 431 S HA -0.104 4.369 4.470 0.005 0.000 0.224 431 S C 2.174 176.747 174.600 -0.045 0.000 1.029 431 S CA 0.996 59.215 58.200 0.031 0.000 0.978 431 S CB -0.344 62.867 63.200 0.019 0.000 0.833 431 S HN 0.320 nan 8.310 nan 0.000 0.466 432 I N 1.324 121.794 120.570 -0.167 0.000 2.226 432 I HA -0.157 4.016 4.170 0.005 0.000 0.245 432 I C 2.191 178.274 176.117 -0.056 0.000 1.100 432 I CA 1.058 62.251 61.300 -0.178 0.000 1.374 432 I CB -0.288 37.495 38.000 -0.362 0.000 1.057 432 I HN 0.329 nan 8.210 nan 0.000 0.413 433 L N -0.283 120.923 121.223 -0.029 0.000 2.083 433 L HA -0.239 4.104 4.340 0.005 0.000 0.209 433 L C 2.596 179.497 176.870 0.051 0.000 1.083 433 L CA 1.450 56.305 54.840 0.026 0.000 0.752 433 L CB -0.390 41.682 42.059 0.021 0.000 0.899 433 L HN 0.302 nan 8.230 nan 0.000 0.433 434 M N -1.060 118.579 119.600 0.065 0.000 2.254 434 M HA -0.098 4.385 4.480 0.005 0.000 0.265 434 M C 2.447 178.764 176.300 0.028 0.000 1.066 434 M CA 1.376 56.711 55.300 0.059 0.000 1.123 434 M CB -0.377 32.261 32.600 0.064 0.000 1.388 434 M HN 0.279 nan 8.290 nan 0.000 0.425 435 A N 0.278 123.105 122.820 0.012 0.000 1.898 435 A HA -0.162 4.161 4.320 0.005 0.000 0.216 435 A C 1.973 179.564 177.584 0.011 0.000 1.181 435 A CA 1.316 53.355 52.037 0.003 0.000 0.620 435 A CB -0.500 18.493 19.000 -0.012 0.000 0.819 435 A HN 0.544 nan 8.150 nan 0.000 0.442 436 Q N -1.682 118.128 119.800 0.017 0.000 2.389 436 Q HA -0.017 4.326 4.340 0.005 0.000 0.204 436 Q C -0.259 175.754 176.000 0.021 0.000 0.944 436 Q CA 0.442 56.258 55.803 0.022 0.000 0.908 436 Q CB 0.272 29.026 28.738 0.027 0.000 1.002 436 Q HN 0.590 nan 8.270 nan 0.000 0.493 437 D N 0.691 121.107 120.400 0.027 0.000 2.775 437 D HA -0.113 4.530 4.640 0.005 0.000 0.235 437 D C -0.487 175.833 176.300 0.034 0.000 1.120 437 D CA 1.341 55.359 54.000 0.031 0.000 0.708 437 D CB -1.014 39.800 40.800 0.023 0.000 1.084 437 D HN 0.463 nan 8.370 nan 0.000 0.434 438 T N -2.422 112.156 114.554 0.041 0.000 3.415 438 T HA 0.386 4.739 4.350 0.005 0.000 0.282 438 T C 2.073 176.810 174.700 0.062 0.000 1.007 438 T CA -0.458 61.667 62.100 0.042 0.000 0.958 438 T CB -0.041 68.844 68.868 0.029 0.000 1.171 438 T HN 0.149 nan 8.240 nan 0.000 0.500 439 L N 1.647 122.917 121.223 0.078 0.000 1.989 439 L HA -0.091 4.252 4.340 0.005 0.000 0.211 439 L C 2.607 179.538 176.870 0.102 0.000 1.071 439 L CA 2.115 57.020 54.840 0.108 0.000 0.749 439 L CB -0.381 41.764 42.059 0.144 0.000 0.890 439 L HN 0.504 nan 8.230 nan 0.000 0.431 440 D N -0.620 119.829 120.400 0.082 0.000 2.363 440 D HA -0.165 4.477 4.640 0.005 0.000 0.220 440 D C 1.092 177.427 176.300 0.059 0.000 0.994 440 D CA -0.034 54.008 54.000 0.071 0.000 0.890 440 D CB -0.375 40.459 40.800 0.056 0.000 0.906 440 D HN 0.372 nan 8.370 nan 0.000 0.530 441 Q N 0.849 120.683 119.800 0.056 0.000 2.274 441 Q HA -0.001 4.342 4.340 0.005 0.000 0.280 441 Q C -0.395 175.636 176.000 0.051 0.000 1.047 441 Q CA -0.318 55.513 55.803 0.047 0.000 0.907 441 Q CB 0.338 29.100 28.738 0.040 0.000 1.171 441 Q HN 0.016 nan 8.270 nan 0.000 0.381 442 N N 3.958 122.684 118.700 0.043 0.000 2.497 442 N HA 0.152 4.894 4.740 0.005 0.000 0.268 442 N C -0.985 174.550 175.510 0.041 0.000 1.171 442 N CA 0.104 53.181 53.050 0.045 0.000 0.948 442 N CB 0.607 39.117 38.487 0.039 0.000 1.069 442 N HN 0.418 nan 8.380 nan 0.000 0.460 443 L N 2.063 123.313 121.223 0.045 0.000 2.319 443 L HA 0.389 4.732 4.340 0.005 0.000 0.267 443 L C 0.403 177.304 176.870 0.051 0.000 1.011 443 L CA -0.589 54.268 54.840 0.029 0.000 0.818 443 L CB 1.314 43.361 42.059 -0.021 0.000 1.316 443 L HN 0.421 nan 8.230 nan 0.000 0.432 444 N N 1.017 119.726 118.700 0.014 0.000 2.399 444 N HA 0.733 5.476 4.740 0.005 0.000 0.295 444 N C -1.297 174.215 175.510 0.003 0.000 1.048 444 N CA -0.446 52.586 53.050 -0.030 0.000 0.886 444 N CB 1.623 40.069 38.487 -0.068 0.000 1.185 444 N HN 0.454 nan 8.380 nan 0.000 0.487 445 F N -0.789 119.088 119.950 -0.120 0.000 2.715 445 F HA 0.567 5.097 4.527 0.005 0.000 0.318 445 F C -1.229 174.522 175.800 -0.083 0.000 1.141 445 F CA -1.203 56.710 58.000 -0.145 0.000 0.950 445 F CB 1.175 40.048 39.000 -0.213 0.000 1.374 445 F HN 0.342 nan 8.300 nan 0.000 0.477 446 E N 0.800 121.060 120.200 0.100 0.000 2.288 446 E HA 0.596 4.949 4.350 0.005 0.000 0.268 446 E C -1.515 175.218 176.600 0.221 0.000 0.885 446 E CA -1.167 55.214 56.400 -0.032 0.000 0.767 446 E CB 2.475 32.102 29.700 -0.122 0.000 1.220 446 E HN 0.713 nan 8.360 nan 0.000 0.427 447 M N 3.079 122.752 119.600 0.122 0.000 3.101 447 M HA 0.235 4.718 4.480 0.005 0.000 0.307 447 M C -0.997 175.383 176.300 0.132 0.000 1.315 447 M CA -0.654 54.782 55.300 0.226 0.000 0.734 447 M CB -0.740 32.062 32.600 0.338 0.000 1.392 447 M HN 0.770 nan 8.290 nan 0.000 0.496 448 Y N -1.004 119.277 120.300 -0.032 0.000 4.840 448 Y HA -0.373 4.180 4.550 0.005 0.000 0.222 448 Y C 1.510 177.330 175.900 -0.134 0.000 0.988 448 Y CA 2.181 60.228 58.100 -0.087 0.000 1.945 448 Y CB -1.277 37.128 38.460 -0.091 0.000 1.571 448 Y HN 0.548 nan 8.280 nan 0.000 0.532 449 G N -2.400 106.314 108.800 -0.143 0.000 3.079 449 G HA2 0.471 4.434 3.960 0.005 0.000 0.233 449 G HA3 0.471 4.434 3.960 0.005 0.000 0.233 449 G C -0.007 174.757 174.900 -0.227 0.000 1.062 449 G CA 0.729 45.738 45.100 -0.151 0.000 0.809 449 G HN 0.265 nan 8.290 nan 0.000 0.535 450 S N -1.578 113.908 115.700 -0.357 0.000 2.643 450 S HA 0.551 5.024 4.470 0.005 0.000 0.270 450 S C -1.624 172.579 174.600 -0.661 0.000 1.166 450 S CA -0.474 57.390 58.200 -0.559 0.000 0.815 450 S CB 2.262 64.966 63.200 -0.826 0.000 1.139 450 S HN 0.023 nan 8.310 nan 0.000 0.472 451 V N 2.450 121.945 119.914 -0.699 0.000 2.376 451 V HA 0.472 4.595 4.120 0.005 0.000 0.287 451 V C -1.590 174.080 176.094 -0.708 0.000 1.015 451 V CA -0.395 61.549 62.300 -0.594 0.000 0.834 451 V CB 0.514 32.125 31.823 -0.354 0.000 1.001 451 V HN 0.792 nan 8.190 nan 0.000 0.428 452 Y N 2.014 121.867 120.300 -0.745 0.000 2.432 452 Y HA 0.609 5.162 4.550 0.005 0.000 0.322 452 Y C 0.795 176.386 175.900 -0.515 0.000 1.246 452 Y CA -0.624 57.076 58.100 -0.666 0.000 1.268 452 Y CB 1.799 39.755 38.460 -0.841 0.000 1.276 452 Y HN 0.507 nan 8.280 nan 0.000 0.499 453 S N 1.412 117.100 115.700 -0.020 0.000 2.596 453 S HA 0.728 5.201 4.470 0.005 0.000 0.318 453 S C -1.612 173.055 174.600 0.111 0.000 1.097 453 S CA -0.496 57.724 58.200 0.033 0.000 1.080 453 S CB 0.548 63.756 63.200 0.013 0.000 0.991 453 S HN 0.584 nan 8.310 nan 0.000 0.471 454 V N 3.755 123.768 119.914 0.165 0.000 3.147 454 V HA 0.781 4.904 4.120 0.005 0.000 0.306 454 V C -0.589 175.558 176.094 0.089 0.000 1.209 454 V CA -0.543 61.841 62.300 0.140 0.000 1.023 454 V CB 2.400 34.344 31.823 0.201 0.000 1.059 454 V HN 0.858 nan 8.190 nan 0.000 0.435 455 S N 4.526 120.269 115.700 0.070 0.000 2.480 455 S HA 0.560 5.033 4.470 0.005 0.000 0.286 455 S C -1.881 172.765 174.600 0.077 0.000 1.180 455 S CA -1.258 56.982 58.200 0.067 0.000 1.075 455 S CB 1.671 64.911 63.200 0.067 0.000 0.996 455 S HN 0.688 nan 8.310 nan 0.000 0.487 456 P HA -0.079 nan 4.420 nan 0.000 0.218 456 P C 1.064 178.515 177.300 0.251 0.000 1.146 456 P CA 0.605 63.765 63.100 0.100 0.000 0.813 456 P CB 0.121 31.809 31.700 -0.019 0.000 0.778 457 L N -0.860 120.490 121.223 0.211 0.000 2.549 457 L HA -0.097 4.246 4.340 0.005 0.000 0.229 457 L C 1.111 178.059 176.870 0.130 0.000 1.158 457 L CA 1.812 56.775 54.840 0.204 0.000 0.842 457 L CB -1.113 41.030 42.059 0.140 0.000 0.952 457 L HN -0.050 nan 8.230 nan 0.000 0.452 458 D N -1.852 118.616 120.400 0.114 0.000 2.363 458 D HA 0.105 4.748 4.640 0.005 0.000 0.214 458 D C 2.153 178.505 176.300 0.087 0.000 1.093 458 D CA 0.101 54.145 54.000 0.072 0.000 0.837 458 D CB 0.415 41.248 40.800 0.054 0.000 0.948 458 D HN 0.219 nan 8.370 nan 0.000 0.507 459 L N 1.565 122.874 121.223 0.144 0.000 2.046 459 L HA -0.097 4.246 4.340 0.005 0.000 0.208 459 L C -0.391 176.589 176.870 0.184 0.000 1.077 459 L CA 1.359 56.298 54.840 0.164 0.000 0.747 459 L CB -1.355 40.863 42.059 0.265 0.000 0.896 459 L HN 0.070 nan 8.230 nan 0.000 0.432 460 P HA -0.184 nan 4.420 nan 0.000 0.217 460 P C 1.331 178.764 177.300 0.222 0.000 1.150 460 P CA 1.969 65.174 63.100 0.176 0.000 0.832 460 P CB 0.080 31.673 31.700 -0.178 0.000 0.787 461 A N 0.007 122.873 122.820 0.077 0.000 1.898 461 A HA -0.100 4.223 4.320 0.005 0.000 0.216 461 A C 2.392 180.026 177.584 0.083 0.000 1.181 461 A CA 1.166 53.241 52.037 0.063 0.000 0.620 461 A CB -1.492 17.515 19.000 0.012 0.000 0.819 461 A HN 0.096 nan 8.150 nan 0.000 0.442 462 I N -0.316 120.298 120.570 0.075 0.000 2.226 462 I HA -0.259 3.914 4.170 0.005 0.000 0.245 462 I C 2.271 178.424 176.117 0.060 0.000 1.100 462 I CA 1.343 62.669 61.300 0.044 0.000 1.374 462 I CB -0.321 37.696 38.000 0.028 0.000 1.057 462 I HN 0.296 nan 8.210 nan 0.000 0.413 463 I N 0.450 121.098 120.570 0.129 0.000 2.252 463 I HA -0.271 3.902 4.170 0.005 0.000 0.245 463 I C 2.630 178.781 176.117 0.057 0.000 1.102 463 I CA 1.312 62.693 61.300 0.135 0.000 1.385 463 I CB -0.350 37.739 38.000 0.149 0.000 1.064 463 I HN 0.293 nan 8.210 nan 0.000 0.414 464 E N 1.349 121.617 120.200 0.115 0.000 2.031 464 E HA -0.320 4.033 4.350 0.005 0.000 0.193 464 E C 2.307 178.927 176.600 0.034 0.000 0.994 464 E CA 1.484 57.933 56.400 0.081 0.000 0.800 464 E CB -0.022 29.820 29.700 0.237 0.000 0.752 464 E HN 0.184 nan 8.360 nan 0.000 0.447 465 R N 0.730 121.249 120.500 0.032 0.000 2.120 465 R HA -0.083 4.260 4.340 0.005 0.000 0.234 465 R C 2.244 178.509 176.300 -0.057 0.000 1.123 465 R CA 1.344 57.441 56.100 -0.005 0.000 0.975 465 R CB -0.611 29.685 30.300 -0.007 0.000 0.866 465 R HN 0.387 nan 8.270 nan 0.000 0.446 466 L N -1.303 119.860 121.223 -0.098 0.000 2.162 466 L HA 0.023 4.366 4.340 0.005 0.000 0.205 466 L C 0.965 177.581 176.870 -0.424 0.000 1.086 466 L CA 1.339 56.018 54.840 -0.268 0.000 0.778 466 L CB 0.070 41.929 42.059 -0.332 0.000 0.928 466 L HN 0.387 nan 8.230 nan 0.000 0.446 467 H N -1.487 117.533 119.070 -0.084 0.000 3.360 467 H HA 0.412 4.971 4.556 0.005 0.000 0.262 467 H C 0.488 175.749 175.328 -0.112 0.000 1.149 467 H CA 0.286 56.276 56.048 -0.097 0.000 1.181 467 H CB 0.868 30.545 29.762 -0.143 0.000 1.564 467 H HN 0.314 nan 8.280 nan 0.000 0.565 468 G N 0.557 109.351 108.800 -0.009 0.000 2.758 468 G HA2 -0.243 3.720 3.960 0.005 0.000 0.686 468 G HA3 -0.243 3.720 3.960 0.005 0.000 0.686 468 G C 0.590 175.433 174.900 -0.095 0.000 1.389 468 G CA -0.253 44.835 45.100 -0.020 0.000 0.845 468 G HN 0.227 nan 8.290 nan 0.000 0.572 469 L N 0.127 121.350 121.223 -0.001 0.000 2.127 469 L HA -0.100 4.242 4.340 0.005 0.000 0.211 469 L C 2.534 179.380 176.870 -0.040 0.000 1.089 469 L CA 1.832 56.712 54.840 0.067 0.000 0.757 469 L CB -0.345 41.815 42.059 0.168 0.000 0.899 469 L HN 0.666 nan 8.230 nan 0.000 0.434 470 D N 0.239 120.604 120.400 -0.059 0.000 2.265 470 D HA -0.172 4.470 4.640 0.005 0.000 0.208 470 D C 2.089 178.293 176.300 -0.160 0.000 0.977 470 D CA 1.277 55.236 54.000 -0.068 0.000 0.871 470 D CB 0.176 40.944 40.800 -0.054 0.000 0.925 470 D HN 0.373 nan 8.370 nan 0.000 0.485 471 A N 0.119 122.742 122.820 -0.329 0.000 2.125 471 A HA -0.135 4.187 4.320 0.005 0.000 0.219 471 A C 1.352 178.711 177.584 -0.375 0.000 1.156 471 A CA 0.796 52.562 52.037 -0.452 0.000 0.671 471 A CB -0.515 18.109 19.000 -0.627 0.000 0.794 471 A HN 0.130 nan 8.150 nan 0.000 0.459 472 F N -1.044 118.909 119.950 0.004 0.000 2.695 472 F HA 0.240 4.769 4.527 0.004 0.000 0.303 472 F C 1.565 177.384 175.800 0.032 0.000 1.091 472 F CA 0.274 58.291 58.000 0.028 0.000 1.300 472 F CB 0.187 39.205 39.000 0.030 0.000 1.071 472 F HN 0.061 nan 8.300 nan 0.000 0.578 473 S N -0.458 115.321 115.700 0.132 0.000 2.733 473 S HA 0.240 4.713 4.470 0.005 0.000 0.247 473 S C 0.215 174.874 174.600 0.097 0.000 1.043 473 S CA -0.212 58.054 58.200 0.110 0.000 1.066 473 S CB 0.375 63.624 63.200 0.082 0.000 1.045 473 S HN -0.071 nan 8.310 nan 0.000 0.586 474 L N 4.804 126.020 121.223 -0.012 0.000 2.514 474 L HA 0.254 4.597 4.340 0.005 0.000 0.280 474 L C 0.506 177.304 176.870 -0.121 0.000 1.223 474 L CA 1.053 55.791 54.840 -0.170 0.000 0.864 474 L CB -0.144 41.695 42.059 -0.367 0.000 1.118 474 L HN 0.462 nan 8.230 nan 0.000 0.494 475 H N 0.104 118.931 119.070 -0.404 0.000 2.948 475 H HA 0.282 4.841 4.556 0.005 0.000 0.315 475 H C -0.543 174.566 175.328 -0.365 0.000 1.360 475 H CA -0.392 55.475 56.048 -0.302 0.000 1.125 475 H CB 0.945 30.658 29.762 -0.082 0.000 1.844 475 H HN 0.374 nan 8.280 nan 0.000 0.529 476 T N 0.871 115.338 114.554 -0.145 0.000 3.730 476 T HA -0.205 4.148 4.350 0.005 0.000 0.391 476 T C -0.462 174.125 174.700 -0.188 0.000 0.763 476 T CA 0.750 62.774 62.100 -0.126 0.000 2.052 476 T CB -2.610 66.136 68.868 -0.204 0.000 1.751 476 T HN 0.466 nan 8.240 nan 0.000 0.772 477 Y N 1.210 121.495 120.300 -0.026 0.000 2.330 477 Y HA 0.370 4.923 4.550 0.005 0.000 0.341 477 Y C 1.852 177.772 175.900 0.033 0.000 1.278 477 Y CA 0.092 58.200 58.100 0.013 0.000 1.453 477 Y CB 0.469 38.942 38.460 0.022 0.000 1.342 477 Y HN 0.456 nan 8.280 nan 0.000 0.590 478 T N -0.118 114.577 114.554 0.235 0.000 2.913 478 T HA 0.123 4.476 4.350 0.005 0.000 0.297 478 T C -1.805 172.986 174.700 0.151 0.000 1.029 478 T CA -1.731 60.462 62.100 0.155 0.000 1.104 478 T CB 1.329 70.286 68.868 0.149 0.000 0.964 478 T HN 0.450 nan 8.240 nan 0.000 0.532 479 P HA -0.200 nan 4.420 nan 0.000 0.220 479 P C 1.290 178.644 177.300 0.090 0.000 1.148 479 P CA 1.182 64.336 63.100 0.091 0.000 0.803 479 P CB -0.169 31.577 31.700 0.075 0.000 0.782 480 H N 0.769 119.860 119.070 0.035 0.000 2.357 480 H HA -0.130 4.428 4.556 0.005 0.000 0.301 480 H C 1.958 177.298 175.328 0.019 0.000 1.082 480 H CA 1.865 57.925 56.048 0.019 0.000 1.342 480 H CB 0.043 29.811 29.762 0.010 0.000 1.389 480 H HN 0.015 nan 8.280 nan 0.000 0.511 481 E N 0.910 121.139 120.200 0.048 0.000 2.047 481 E HA -0.090 4.263 4.350 0.005 0.000 0.191 481 E C 2.737 179.308 176.600 -0.048 0.000 0.987 481 E CA 1.064 57.472 56.400 0.013 0.000 0.799 481 E CB -0.421 29.392 29.700 0.188 0.000 0.752 481 E HN 0.518 nan 8.360 nan 0.000 0.449 482 L N -0.011 121.210 121.223 -0.002 0.000 2.046 482 L HA -0.168 4.175 4.340 0.005 0.000 0.208 482 L C 2.488 179.325 176.870 -0.055 0.000 1.077 482 L CA 1.710 56.537 54.840 -0.022 0.000 0.747 482 L CB -0.736 41.337 42.059 0.023 0.000 0.896 482 L HN 0.216 nan 8.230 nan 0.000 0.432 483 T N -0.928 113.583 114.554 -0.071 0.000 2.746 483 T HA -0.221 4.132 4.350 0.005 0.000 0.267 483 T C 2.023 176.642 174.700 -0.135 0.000 1.039 483 T CA 1.330 63.378 62.100 -0.087 0.000 1.142 483 T CB -0.176 68.644 68.868 -0.081 0.000 0.866 483 T HN 0.250 nan 8.240 nan 0.000 0.444 484 R N 0.501 120.868 120.500 -0.221 0.000 2.081 484 R HA -0.070 4.273 4.340 0.005 0.000 0.235 484 R C 2.331 178.513 176.300 -0.196 0.000 1.131 484 R CA 1.179 57.134 56.100 -0.242 0.000 0.960 484 R CB -0.492 29.603 30.300 -0.342 0.000 0.856 484 R HN 0.216 nan 8.270 nan 0.000 0.436 485 V N 1.003 120.814 119.914 -0.171 0.000 2.295 485 V HA -0.226 3.896 4.120 0.005 0.000 0.246 485 V C 2.464 178.496 176.094 -0.104 0.000 1.049 485 V CA 1.950 64.157 62.300 -0.155 0.000 1.024 485 V CB -0.746 31.023 31.823 -0.090 0.000 0.648 485 V HN 0.561 nan 8.190 nan 0.000 0.447 486 A N -0.449 122.329 122.820 -0.070 0.000 1.933 486 A HA -0.209 4.113 4.320 0.005 0.000 0.218 486 A C 2.472 180.030 177.584 -0.044 0.000 1.175 486 A CA 2.272 54.288 52.037 -0.034 0.000 0.628 486 A CB -0.642 18.347 19.000 -0.018 0.000 0.814 486 A HN 0.518 nan 8.150 nan 0.000 0.444 487 S N -0.195 115.462 115.700 -0.071 0.000 2.383 487 S HA 0.013 4.486 4.470 0.005 0.000 0.227 487 S C 2.305 176.858 174.600 -0.078 0.000 1.026 487 S CA 1.043 59.201 58.200 -0.070 0.000 0.981 487 S CB -0.428 62.722 63.200 -0.083 0.000 0.818 487 S HN 0.795 nan 8.310 nan 0.000 0.472 488 A N 1.657 124.412 122.820 -0.109 0.000 1.902 488 A HA -0.022 4.300 4.320 0.005 0.000 0.217 488 A C 2.097 179.634 177.584 -0.079 0.000 1.181 488 A CA 1.181 53.146 52.037 -0.120 0.000 0.623 488 A CB -0.779 18.102 19.000 -0.198 0.000 0.818 488 A HN 0.452 nan 8.150 nan 0.000 0.443 489 L N -1.299 119.891 121.223 -0.054 0.000 2.083 489 L HA -0.193 4.150 4.340 0.005 0.000 0.209 489 L C 2.886 179.758 176.870 0.003 0.000 1.083 489 L CA 1.416 56.258 54.840 0.003 0.000 0.752 489 L CB -0.461 41.635 42.059 0.061 0.000 0.899 489 L HN 0.368 nan 8.230 nan 0.000 0.433 490 R N 0.321 120.810 120.500 -0.018 0.000 2.062 490 R HA -0.153 4.190 4.340 0.005 0.000 0.231 490 R C 2.359 178.618 176.300 -0.068 0.000 1.136 490 R CA 1.457 57.535 56.100 -0.036 0.000 0.948 490 R CB -0.169 30.109 30.300 -0.036 0.000 0.845 490 R HN 0.246 nan 8.270 nan 0.000 0.430 491 K N 0.488 120.852 120.400 -0.060 0.000 2.113 491 K HA -0.155 4.168 4.320 0.005 0.000 0.208 491 K C 1.946 178.512 176.600 -0.057 0.000 1.047 491 K CA 1.268 57.520 56.287 -0.059 0.000 0.928 491 K CB -0.136 32.338 32.500 -0.044 0.000 0.716 491 K HN 0.162 nan 8.250 nan 0.000 0.446 492 L N -0.677 120.519 121.223 -0.045 0.000 2.395 492 L HA 0.042 4.385 4.340 0.005 0.000 0.218 492 L C 1.126 177.973 176.870 -0.039 0.000 1.130 492 L CA 0.519 55.343 54.840 -0.027 0.000 0.826 492 L CB -0.187 41.863 42.059 -0.015 0.000 0.941 492 L HN 0.493 nan 8.230 nan 0.000 0.451 493 G N 0.302 109.058 108.800 -0.073 0.000 2.160 493 G HA2 -0.216 3.747 3.960 0.005 0.000 0.244 493 G HA3 -0.216 3.747 3.960 0.005 0.000 0.244 493 G C 0.180 175.137 174.900 0.094 0.000 1.022 493 G CA 0.131 45.184 45.100 -0.079 0.000 0.741 493 G HN 0.513 nan 8.290 nan 0.000 0.508 494 A N 0.157 123.024 122.820 0.079 0.000 2.294 494 A HA 0.944 5.267 4.320 0.005 0.000 0.330 494 A C -1.611 176.072 177.584 0.166 0.000 1.133 494 A CA -1.382 50.740 52.037 0.140 0.000 0.836 494 A CB 1.216 20.331 19.000 0.192 0.000 1.190 494 A HN 0.236 nan 8.150 nan 0.000 0.492 495 P HA 0.183 nan 4.420 nan 0.000 0.268 495 P C -2.634 174.789 177.300 0.204 0.000 1.205 495 P CA -0.749 62.368 63.100 0.029 0.000 0.771 495 P CB -0.071 31.449 31.700 -0.300 0.000 0.858 496 P HA 0.095 nan 4.420 nan 0.000 0.272 496 P C 1.335 178.814 177.300 0.298 0.000 1.240 496 P CA -0.231 62.978 63.100 0.182 0.000 0.791 496 P CB 0.979 32.735 31.700 0.094 0.000 0.978 497 L N 0.851 122.243 121.223 0.282 0.000 2.051 497 L HA -0.247 4.095 4.340 0.005 0.000 0.214 497 L C 2.911 179.938 176.870 0.262 0.000 1.076 497 L CA 2.205 57.228 54.840 0.306 0.000 0.758 497 L CB -0.882 41.260 42.059 0.138 0.000 0.890 497 L HN 0.493 nan 8.230 nan 0.000 0.433 498 R N 0.482 121.080 120.500 0.162 0.000 2.159 498 R HA -0.151 4.191 4.340 0.005 0.000 0.237 498 R C 2.126 178.489 176.300 0.106 0.000 1.131 498 R CA 1.355 57.532 56.100 0.128 0.000 0.982 498 R CB -0.653 29.697 30.300 0.083 0.000 0.868 498 R HN 0.303 nan 8.270 nan 0.000 0.453 499 A N 0.947 123.800 122.820 0.055 0.000 1.898 499 A HA -0.028 4.295 4.320 0.005 0.000 0.214 499 A C 1.688 179.225 177.584 -0.079 0.000 1.183 499 A CA 0.624 52.617 52.037 -0.074 0.000 0.622 499 A CB -0.802 18.069 19.000 -0.215 0.000 0.824 499 A HN 0.519 nan 8.150 nan 0.000 0.444 500 W N 0.419 121.785 121.300 0.110 0.000 2.374 500 W HA -0.073 4.590 4.660 0.005 0.000 0.288 500 W C 2.270 178.941 176.519 0.254 0.000 1.218 500 W CA 1.508 58.952 57.345 0.165 0.000 1.245 500 W CB 0.046 29.605 29.460 0.165 0.000 1.126 500 W HN 0.288 nan 8.180 nan 0.000 0.545 501 K N 0.298 120.972 120.400 0.457 0.000 2.097 501 K HA -0.176 4.147 4.320 0.005 0.000 0.206 501 K C 1.989 178.741 176.600 0.253 0.000 1.049 501 K CA 1.855 58.424 56.287 0.470 0.000 0.933 501 K CB -0.248 32.480 32.500 0.380 0.000 0.717 501 K HN -0.000 nan 8.250 nan 0.000 0.442 502 S N 0.772 116.561 115.700 0.149 0.000 2.355 502 S HA -0.091 4.382 4.470 0.005 0.000 0.222 502 S C 1.815 176.435 174.600 0.033 0.000 1.031 502 S CA 1.150 59.384 58.200 0.057 0.000 0.993 502 S CB -0.235 62.972 63.200 0.012 0.000 0.859 502 S HN 0.373 nan 8.310 nan 0.000 0.453 503 R N 1.475 122.006 120.500 0.051 0.000 2.096 503 R HA 0.005 4.348 4.340 0.005 0.000 0.235 503 R C 2.598 178.926 176.300 0.047 0.000 1.127 503 R CA 1.169 57.291 56.100 0.037 0.000 0.968 503 R CB -0.587 29.738 30.300 0.042 0.000 0.861 503 R HN 0.415 nan 8.270 nan 0.000 0.440 504 A N 1.348 124.250 122.820 0.137 0.000 1.940 504 A HA -0.216 4.107 4.320 0.005 0.000 0.219 504 A C 2.098 179.524 177.584 -0.263 0.000 1.176 504 A CA 1.347 53.380 52.037 -0.007 0.000 0.631 504 A CB -0.452 18.611 19.000 0.104 0.000 0.814 504 A HN 0.226 nan 8.150 nan 0.000 0.446 505 R N -0.782 119.615 120.500 -0.171 0.000 2.094 505 R HA -0.188 4.155 4.340 0.005 0.000 0.239 505 R C 2.545 178.729 176.300 -0.192 0.000 1.137 505 R CA 1.554 57.543 56.100 -0.184 0.000 0.943 505 R CB -0.505 29.732 30.300 -0.106 0.000 0.850 505 R HN 0.533 nan 8.270 nan 0.000 0.433 506 A N 0.272 123.005 122.820 -0.145 0.000 1.883 506 A HA -0.143 4.180 4.320 0.005 0.000 0.217 506 A C 2.340 179.815 177.584 -0.182 0.000 1.186 506 A CA 1.684 53.643 52.037 -0.131 0.000 0.624 506 A CB -0.674 18.274 19.000 -0.088 0.000 0.822 506 A HN 0.180 nan 8.150 nan 0.000 0.444 507 V N 0.189 119.956 119.914 -0.245 0.000 2.287 507 V HA -0.305 3.817 4.120 0.005 0.000 0.248 507 V C 2.668 178.481 176.094 -0.469 0.000 1.053 507 V CA 2.459 64.557 62.300 -0.336 0.000 1.027 507 V CB -0.872 30.686 31.823 -0.442 0.000 0.646 507 V HN 0.705 nan 8.190 nan 0.000 0.447 508 R N 0.334 120.467 120.500 -0.612 0.000 2.080 508 R HA -0.202 4.141 4.340 0.005 0.000 0.236 508 R C 2.317 178.467 176.300 -0.250 0.000 1.137 508 R CA 1.961 57.772 56.100 -0.481 0.000 0.943 508 R CB -0.567 29.502 30.300 -0.384 0.000 0.846 508 R HN 0.465 nan 8.270 nan 0.000 0.431 509 A N 0.132 122.833 122.820 -0.198 0.000 1.940 509 A HA -0.142 4.181 4.320 0.005 0.000 0.219 509 A C 2.229 179.750 177.584 -0.105 0.000 1.176 509 A CA 1.960 53.920 52.037 -0.128 0.000 0.631 509 A CB -0.569 18.368 19.000 -0.106 0.000 0.814 509 A HN 0.481 nan 8.150 nan 0.000 0.446 510 S N -0.146 115.484 115.700 -0.116 0.000 2.368 510 S HA -0.099 4.374 4.470 0.005 0.000 0.225 510 S C 1.826 176.387 174.600 -0.065 0.000 1.030 510 S CA 1.444 59.597 58.200 -0.078 0.000 0.999 510 S CB -0.452 62.705 63.200 -0.072 0.000 0.844 510 S HN 0.515 nan 8.310 nan 0.000 0.459 511 L N 0.970 122.137 121.223 -0.095 0.000 2.046 511 L HA -0.095 4.248 4.340 0.005 0.000 0.208 511 L C 2.207 179.047 176.870 -0.050 0.000 1.077 511 L CA 1.158 55.958 54.840 -0.066 0.000 0.747 511 L CB -0.547 41.440 42.059 -0.120 0.000 0.896 511 L HN 0.311 nan 8.230 nan 0.000 0.432 512 I N -0.917 119.614 120.570 -0.065 0.000 2.226 512 I HA -0.264 3.909 4.170 0.005 0.000 0.245 512 I C 2.565 178.662 176.117 -0.033 0.000 1.100 512 I CA 1.065 62.337 61.300 -0.046 0.000 1.374 512 I CB -0.302 37.666 38.000 -0.053 0.000 1.057 512 I HN 0.175 nan 8.210 nan 0.000 0.413 513 S N 0.546 116.225 115.700 -0.036 0.000 2.400 513 S HA -0.176 4.297 4.470 0.005 0.000 0.232 513 S C 1.950 176.541 174.600 -0.015 0.000 1.025 513 S CA 1.262 59.446 58.200 -0.026 0.000 0.993 513 S CB -0.318 62.865 63.200 -0.028 0.000 0.808 513 S HN 0.412 nan 8.310 nan 0.000 0.478 514 R N 0.868 121.361 120.500 -0.012 0.000 2.276 514 R HA 0.178 4.521 4.340 0.005 0.000 0.203 514 R C 1.522 177.823 176.300 0.001 0.000 1.017 514 R CA 0.355 56.455 56.100 0.000 0.000 1.010 514 R CB -0.420 29.888 30.300 0.012 0.000 0.900 514 R HN 0.431 nan 8.270 nan 0.000 0.469 515 G N 0.154 108.951 108.800 -0.005 0.000 2.682 515 G HA2 -0.159 3.804 3.960 0.005 0.000 0.256 515 G HA3 -0.159 3.804 3.960 0.005 0.000 0.256 515 G C 0.489 175.389 174.900 0.001 0.000 1.333 515 G CA -0.260 44.838 45.100 -0.004 0.000 0.904 515 G HN 0.652 nan 8.290 nan 0.000 0.569 516 G N -1.249 107.550 108.800 -0.001 0.000 2.564 516 G HA2 -0.205 3.758 3.960 0.005 0.000 0.273 516 G HA3 -0.205 3.758 3.960 0.005 0.000 0.273 516 G C 1.186 176.083 174.900 -0.006 0.000 1.242 516 G CA 1.321 46.421 45.100 -0.000 0.000 0.951 516 G HN 1.453 nan 8.290 nan 0.000 0.564 517 R N 0.188 120.688 120.500 0.001 0.000 2.096 517 R HA 0.004 4.347 4.340 0.005 0.000 0.235 517 R C 3.164 179.467 176.300 0.005 0.000 1.127 517 R CA 1.996 58.094 56.100 -0.004 0.000 0.968 517 R CB -0.817 29.495 30.300 0.019 0.000 0.861 517 R HN 0.807 nan 8.270 nan 0.000 0.440 518 A N 1.747 124.585 122.820 0.030 0.000 1.948 518 A HA -0.160 4.163 4.320 0.005 0.000 0.220 518 A C 2.453 180.030 177.584 -0.012 0.000 1.177 518 A CA 1.874 53.933 52.037 0.036 0.000 0.636 518 A CB -0.552 18.479 19.000 0.052 0.000 0.815 518 A HN 0.402 nan 8.150 nan 0.000 0.449 519 A N -0.674 122.138 122.820 -0.013 0.000 1.898 519 A HA 0.024 4.347 4.320 0.005 0.000 0.216 519 A C 2.226 179.801 177.584 -0.016 0.000 1.181 519 A CA 1.726 53.752 52.037 -0.019 0.000 0.620 519 A CB -0.897 18.096 19.000 -0.011 0.000 0.819 519 A HN 0.407 nan 8.150 nan 0.000 0.442 520 V N -0.754 119.138 119.914 -0.038 0.000 2.343 520 V HA -0.328 3.795 4.120 0.005 0.000 0.247 520 V C 2.660 178.705 176.094 -0.083 0.000 1.051 520 V CA 2.028 64.278 62.300 -0.083 0.000 1.036 520 V CB -1.195 30.502 31.823 -0.211 0.000 0.654 520 V HN 0.710 nan 8.190 nan 0.000 0.451 521 C N 0.743 119.985 119.300 -0.097 0.000 2.413 521 C HA -0.094 4.368 4.460 0.005 0.000 0.276 521 C C 2.941 177.879 174.990 -0.087 0.000 1.248 521 C CA 0.922 59.853 59.018 -0.144 0.000 1.742 521 C CB -1.701 25.901 27.740 -0.229 0.000 2.017 521 C HN 0.694 nan 8.230 nan 0.000 0.481 522 G N 0.127 108.898 108.800 -0.049 0.000 2.433 522 G HA2 -0.201 3.762 3.960 0.005 0.000 0.216 522 G HA3 -0.201 3.762 3.960 0.005 0.000 0.216 522 G C 1.761 176.691 174.900 0.051 0.000 1.186 522 G CA 0.565 45.676 45.100 0.019 0.000 0.779 522 G HN 0.578 nan 8.290 nan 0.000 0.543 523 R N -1.029 119.489 120.500 0.029 0.000 2.081 523 R HA -0.055 4.288 4.340 0.005 0.000 0.235 523 R C 2.390 178.649 176.300 -0.068 0.000 1.131 523 R CA 1.432 57.534 56.100 0.003 0.000 0.960 523 R CB -0.417 29.915 30.300 0.052 0.000 0.856 523 R HN 0.452 nan 8.270 nan 0.000 0.436 524 Y N 0.648 120.786 120.300 -0.270 0.000 2.138 524 Y HA -0.025 4.527 4.550 0.005 0.000 0.286 524 Y C 2.222 177.826 175.900 -0.493 0.000 1.115 524 Y CA 0.860 58.643 58.100 -0.528 0.000 1.105 524 Y CB -0.546 37.397 38.460 -0.861 0.000 1.004 524 Y HN -0.099 nan 8.280 nan 0.000 0.494 525 L N -1.661 119.425 121.223 -0.229 0.000 2.191 525 L HA -0.174 4.169 4.340 0.005 0.000 0.212 525 L C 0.667 177.283 176.870 -0.424 0.000 1.103 525 L CA 1.374 56.066 54.840 -0.247 0.000 0.769 525 L CB -0.484 41.334 42.059 -0.401 0.000 0.908 525 L HN 0.166 nan 8.230 nan 0.000 0.438 526 F N -1.430 118.442 119.950 -0.129 0.000 2.791 526 F HA 0.187 4.717 4.527 0.004 0.000 0.308 526 F C 1.483 176.962 175.800 -0.535 0.000 1.138 526 F CA -0.389 57.330 58.000 -0.469 0.000 1.294 526 F CB -0.378 38.346 39.000 -0.459 0.000 0.975 526 F HN -0.092 nan 8.300 nan 0.000 0.512 527 N N 0.955 119.564 118.700 -0.152 0.000 2.453 527 N HA -0.168 4.575 4.740 0.005 0.000 0.183 527 N C 1.896 177.374 175.510 -0.053 0.000 1.041 527 N CA 1.308 54.292 53.050 -0.110 0.000 0.900 527 N CB -0.106 38.328 38.487 -0.088 0.000 0.961 527 N HN 0.540 nan 8.380 nan 0.000 0.443 528 W N -0.855 120.476 121.300 0.052 0.000 2.595 528 W HA 0.250 4.913 4.660 0.004 0.000 0.257 528 W C 1.143 177.712 176.519 0.084 0.000 1.267 528 W CA 0.512 57.895 57.345 0.062 0.000 1.300 528 W CB -0.727 28.779 29.460 0.077 0.000 1.120 528 W HN 0.038 nan 8.180 nan 0.000 0.618 529 A N 1.543 123.989 122.820 -0.624 0.000 2.208 529 A HA 0.222 4.545 4.320 0.005 0.000 0.209 529 A C 0.893 178.356 177.584 -0.201 0.000 1.161 529 A CA 1.023 52.717 52.037 -0.573 0.000 0.782 529 A CB -0.777 17.634 19.000 -0.981 0.000 0.816 529 A HN 0.134 nan 8.150 nan 0.000 0.477 530 V N -3.988 115.845 119.914 -0.135 0.000 2.628 530 V HA 0.485 4.608 4.120 0.005 0.000 0.306 530 V C 0.628 176.705 176.094 -0.030 0.000 1.045 530 V CA -1.075 61.178 62.300 -0.078 0.000 0.905 530 V CB 1.636 33.404 31.823 -0.092 0.000 0.997 530 V HN 0.080 nan 8.190 nan 0.000 0.436 531 K N 1.567 121.957 120.400 -0.017 0.000 2.057 531 K HA -0.008 4.314 4.320 0.005 0.000 0.207 531 K C 0.965 177.554 176.600 -0.018 0.000 1.049 531 K CA 1.340 57.623 56.287 -0.006 0.000 0.931 531 K CB -0.384 32.114 32.500 -0.002 0.000 0.714 531 K HN 0.824 nan 8.250 nan 0.000 0.440 532 T N 3.245 117.782 114.554 -0.028 0.000 3.151 532 T HA 0.199 4.552 4.350 0.005 0.000 0.332 532 T C -0.131 174.544 174.700 -0.042 0.000 1.245 532 T CA -0.476 61.605 62.100 -0.032 0.000 1.019 532 T CB 0.438 69.287 68.868 -0.031 0.000 1.109 532 T HN -0.123 nan 8.240 nan 0.000 0.621 533 K N 2.769 123.144 120.400 -0.043 0.000 2.436 533 K HA 0.232 4.555 4.320 0.005 0.000 0.275 533 K C 0.364 176.926 176.600 -0.064 0.000 0.999 533 K CA -0.324 55.931 56.287 -0.054 0.000 0.980 533 K CB 0.259 32.730 32.500 -0.048 0.000 0.919 533 K HN 0.303 nan 8.250 nan 0.000 0.484 534 L N 2.869 124.041 121.223 -0.086 0.000 2.456 534 L HA 0.150 4.493 4.340 0.005 0.000 0.257 534 L C 1.766 178.570 176.870 -0.111 0.000 1.162 534 L CA 0.327 55.109 54.840 -0.096 0.000 0.808 534 L CB 0.727 42.715 42.059 -0.118 0.000 1.136 534 L HN 0.751 nan 8.230 nan 0.000 0.466 535 K N 1.147 121.488 120.400 -0.099 0.000 1.984 535 K HA -0.095 4.228 4.320 0.005 0.000 0.209 535 K C -0.388 176.129 176.600 -0.140 0.000 1.046 535 K CA 0.466 56.699 56.287 -0.090 0.000 0.934 535 K CB 0.083 32.551 32.500 -0.054 0.000 0.717 535 K HN 0.338 nan 8.250 nan 0.000 0.438 536 L N 1.181 122.273 121.223 -0.218 0.000 2.629 536 L HA -0.162 4.181 4.340 0.005 0.000 0.595 536 L C -0.360 176.447 176.870 -0.105 0.000 1.000 536 L CA 1.103 55.712 54.840 -0.386 0.000 1.304 536 L CB -2.002 39.746 42.059 -0.518 0.000 1.841 536 L HN 0.647 nan 8.230 nan 0.000 0.901 537 T N 1.520 116.107 114.554 0.055 0.000 2.940 537 T HA 0.924 5.276 4.350 0.005 0.000 0.288 537 T C -2.615 172.225 174.700 0.234 0.000 1.045 537 T CA -2.288 59.889 62.100 0.128 0.000 1.018 537 T CB 2.136 71.064 68.868 0.100 0.000 1.151 537 T HN 0.281 nan 8.240 nan 0.000 0.529 538 P HA 0.277 nan 4.420 nan 0.000 0.266 538 P C -0.666 176.709 177.300 0.126 0.000 1.195 538 P CA -0.121 63.072 63.100 0.155 0.000 0.768 538 P CB 0.303 32.063 31.700 0.099 0.000 0.838 539 L N 4.995 126.276 121.223 0.097 0.000 2.397 539 L HA 0.458 4.801 4.340 0.005 0.000 0.266 539 L C -1.399 175.477 176.870 0.011 0.000 1.040 539 L CA -2.052 52.792 54.840 0.007 0.000 0.800 539 L CB 0.860 42.865 42.059 -0.090 0.000 1.324 539 L HN 0.295 nan 8.230 nan 0.000 0.469 540 P HA -0.062 nan 4.420 nan 0.000 0.261 540 P C 0.317 177.619 177.300 0.004 0.000 1.650 540 P CA 0.313 63.412 63.100 -0.002 0.000 0.846 540 P CB -0.031 31.662 31.700 -0.011 0.000 1.758 541 E N 1.346 121.557 120.200 0.017 0.000 2.150 541 E HA -0.135 4.218 4.350 0.005 0.000 0.193 541 E C 0.795 177.406 176.600 0.017 0.000 0.985 541 E CA 0.472 56.886 56.400 0.024 0.000 0.814 541 E CB -0.290 29.440 29.700 0.049 0.000 0.752 541 E HN 0.203 nan 8.360 nan 0.000 0.466 542 A N 1.782 124.613 122.820 0.018 0.000 3.051 542 A HA 0.129 4.452 4.320 0.005 0.000 0.257 542 A C 1.062 178.651 177.584 0.008 0.000 1.785 542 A CA 0.145 52.190 52.037 0.013 0.000 1.420 542 A CB -0.784 18.226 19.000 0.017 0.000 1.063 542 A HN 0.253 nan 8.150 nan 0.000 0.630 543 R N 0.049 120.552 120.500 0.004 0.000 2.452 543 R HA 0.281 4.624 4.340 0.005 0.000 0.345 543 R C -1.035 175.264 176.300 -0.002 0.000 0.798 543 R CA 0.084 56.184 56.100 0.002 0.000 1.050 543 R CB 0.154 30.455 30.300 0.002 0.000 1.726 543 R HN 0.655 nan 8.270 nan 0.000 0.510 544 L N -2.335 118.885 121.223 -0.005 0.000 2.671 544 L HA 0.706 5.049 4.340 0.005 0.000 0.259 544 L C -1.900 174.958 176.870 -0.020 0.000 1.021 544 L CA -1.019 53.813 54.840 -0.013 0.000 0.871 544 L CB 1.819 43.868 42.059 -0.017 0.000 1.472 544 L HN -0.148 nan 8.230 nan 0.000 0.410 545 L N 1.147 122.353 121.223 -0.028 0.000 2.513 545 L HA 0.528 4.871 4.340 0.005 0.000 0.261 545 L C -1.402 175.438 176.870 -0.051 0.000 0.945 545 L CA -0.452 54.368 54.840 -0.033 0.000 0.848 545 L CB 2.175 44.223 42.059 -0.018 0.000 1.334 545 L HN 0.814 nan 8.230 nan 0.000 0.407 546 D N 1.451 121.810 120.400 -0.069 0.000 2.332 546 D HA 0.444 5.087 4.640 0.005 0.000 0.252 546 D C 0.433 176.709 176.300 -0.039 0.000 1.050 546 D CA -0.357 53.581 54.000 -0.102 0.000 0.970 546 D CB 2.251 42.954 40.800 -0.162 0.000 1.141 546 D HN 0.403 nan 8.370 nan 0.000 0.485 547 L N 0.739 121.962 121.223 0.000 0.000 2.262 547 L HA 0.036 4.379 4.340 0.005 0.000 0.197 547 L C 1.608 178.526 176.870 0.080 0.000 1.073 547 L CA 0.064 54.943 54.840 0.064 0.000 0.800 547 L CB -0.717 41.417 42.059 0.125 0.000 0.987 547 L HN 0.335 nan 8.230 nan 0.000 0.470 548 S N 0.000 115.787 115.700 0.145 0.000 2.498 548 S HA 0.000 4.473 4.470 0.005 0.000 0.327 548 S CA 0.000 58.283 58.200 0.139 0.000 1.107 548 S CB 0.000 63.361 63.200 0.267 0.000 0.593 548 S HN 0.000 nan 8.310 nan 0.000 0.517