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 3kp1_1_B DATA FIRST_RESID 7 DATA SEQUENCE LRVNEKLDVE NILKDLDKYT PKRRGWTWRQ PAENLQMGPF IYKDASTPLE DATA SEQUENCE NSVALPSAKY FGDIDPQPLP VITTEIASGR FEDDIRRMRM AAWHGADHIM DATA SEQUENCE VIRTAGQSHY DGLIEGTPQG IGGVPITRKQ VRAQRKALDL IEEEVGRPIN DATA SEQUENCE YHSYVSGVAG PDIAVMFAEE GVNGAHQDPQ YNVLYRNINM IRSFIDACES DATA SEQUENCE KTIMAWADMA QIDXXXGAHN ANATAREAWK VMPELMVQHA LNSIFSLKVG DATA SEQUENCE MKKSNICLST VPPTAPPAPS MYLDLPYAVA LREMFEGYRM RAQMNTKYME DATA SEQUENCE ASTREATVTH VLNLLISKLT RADIQSTITP DEGRNVPWHI YNIEACDTAK DATA SEQUENCE QALIGMDGLM DMVQLKREGV LGDTVRELKE RAVLFMEEII EAGGYFNAVE DATA SEQUENCE QGFFVDSGYY PERNGDGIAR QINGGIGAGT VFERDEDYMA PVTAHFGYNN DATA SEQUENCE VKQYDEALVS EPSKLIDGCT LEVPEKIVYI DELDENDNVN VRMEETKEFR DATA SEQUENCE XXSMIKPEVE WQADGTVLLT MFLPTSKRVA EFAAIEFAKK MNLEEVEVIN DATA SEQUENCE REVMQEAEGT RIELKGRVPF SIDINSLVIP PXXXILSEDE IREDIEKTPL DATA SEQUENCE KIVAATVGED EHSVGLREVI DIKHGGIEKY GVEVHYLGTS VPVEKLVDAA DATA SEQUENCE IELKADAILA STIISHDDIH YKNMKRIHEL AVEKGIRDKI MIGCGGTQVT DATA SEQUENCE PEVAVKQGVD AGFGRGSKGI HVATFLVKKR REMR 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 7 L HA 0.000 nan 4.340 nan 0.000 0.249 7 L C 0.000 176.906 176.870 0.060 0.000 1.165 7 L CA 0.000 54.872 54.840 0.054 0.000 0.813 7 L CB 0.000 42.108 42.059 0.081 0.000 0.961 8 R N 0.948 121.479 120.500 0.052 0.000 2.346 8 R HA 0.333 4.676 4.340 0.005 0.000 0.311 8 R C 1.072 177.412 176.300 0.067 0.000 0.983 8 R CA -0.424 55.709 56.100 0.054 0.000 0.880 8 R CB 2.074 32.392 30.300 0.030 0.000 1.100 8 R HN 0.591 nan 8.270 nan 0.000 0.453 9 V N 0.290 120.266 119.914 0.104 0.000 2.568 9 V HA -0.249 3.874 4.120 0.005 0.000 0.253 9 V C 1.275 177.358 176.094 -0.018 0.000 1.072 9 V CA 1.965 64.336 62.300 0.118 0.000 1.084 9 V CB -0.576 31.388 31.823 0.236 0.000 0.676 9 V HN 0.847 nan 8.190 nan 0.000 0.469 10 N N -0.000 118.695 118.700 -0.009 0.000 2.270 10 N HA 0.101 4.844 4.740 0.005 0.000 0.198 10 N C 0.116 175.603 175.510 -0.038 0.000 1.117 10 N CA -0.010 53.017 53.050 -0.039 0.000 0.845 10 N CB -0.069 38.405 38.487 -0.021 0.000 0.980 10 N HN 0.766 nan 8.380 nan 0.000 0.486 11 E N 0.579 120.762 120.200 -0.028 0.000 2.199 11 E HA 0.287 4.640 4.350 0.005 0.000 0.269 11 E C -0.765 175.815 176.600 -0.034 0.000 0.899 11 E CA -0.815 55.571 56.400 -0.024 0.000 0.772 11 E CB 2.114 31.810 29.700 -0.007 0.000 1.155 11 E HN 0.067 nan 8.360 nan 0.000 0.408 12 K N 1.885 122.263 120.400 -0.037 0.000 2.436 12 K HA 0.081 4.404 4.320 0.005 0.000 0.275 12 K C -0.017 176.570 176.600 -0.023 0.000 0.999 12 K CA -0.151 56.112 56.287 -0.040 0.000 0.980 12 K CB 0.400 32.879 32.500 -0.035 0.000 0.919 12 K HN 0.333 nan 8.250 nan 0.000 0.484 13 L N 2.287 123.497 121.223 -0.021 0.000 2.593 13 L HA -0.130 4.213 4.340 0.005 0.000 0.287 13 L C 0.711 177.576 176.870 -0.010 0.000 1.243 13 L CA 0.534 55.370 54.840 -0.007 0.000 0.890 13 L CB 0.047 42.103 42.059 -0.005 0.000 1.134 13 L HN 0.570 nan 8.230 nan 0.000 0.502 14 D N 2.878 123.276 120.400 -0.004 0.000 2.479 14 D HA 0.136 4.779 4.640 0.005 0.000 0.218 14 D C 0.819 177.115 176.300 -0.006 0.000 1.131 14 D CA -0.193 53.804 54.000 -0.005 0.000 0.916 14 D CB 1.270 42.069 40.800 -0.001 0.000 1.022 14 D HN 0.229 nan 8.370 nan 0.000 0.515 15 V N 3.515 123.421 119.914 -0.012 0.000 2.307 15 V HA -0.204 3.919 4.120 0.005 0.000 0.245 15 V C 2.360 178.449 176.094 -0.008 0.000 1.045 15 V CA 1.642 63.932 62.300 -0.016 0.000 1.024 15 V CB -0.388 31.410 31.823 -0.041 0.000 0.651 15 V HN 0.573 nan 8.190 nan 0.000 0.449 16 E N 0.258 120.451 120.200 -0.011 0.000 2.147 16 E HA -0.321 4.032 4.350 0.005 0.000 0.199 16 E C 1.976 178.580 176.600 0.007 0.000 1.005 16 E CA 1.915 58.313 56.400 -0.002 0.000 0.810 16 E CB -0.160 29.538 29.700 -0.004 0.000 0.736 16 E HN 0.654 nan 8.360 nan 0.000 0.460 17 N N -0.349 118.354 118.700 0.004 0.000 2.300 17 N HA -0.041 4.702 4.740 0.005 0.000 0.179 17 N C 1.563 177.077 175.510 0.007 0.000 1.016 17 N CA 0.731 53.785 53.050 0.007 0.000 0.876 17 N CB 0.029 38.519 38.487 0.005 0.000 0.979 17 N HN 0.144 nan 8.380 nan 0.000 0.432 18 I N 0.253 120.825 120.570 0.003 0.000 2.361 18 I HA -0.197 3.976 4.170 0.005 0.000 0.251 18 I C 1.549 177.667 176.117 0.002 0.000 1.133 18 I CA 0.790 62.085 61.300 -0.008 0.000 1.413 18 I CB -0.099 37.894 38.000 -0.012 0.000 1.073 18 I HN 0.191 nan 8.210 nan 0.000 0.424 19 L N 0.269 121.510 121.223 0.030 0.000 2.551 19 L HA -0.058 4.285 4.340 0.005 0.000 0.228 19 L C 0.876 177.773 176.870 0.045 0.000 1.153 19 L CA 0.522 55.398 54.840 0.059 0.000 0.851 19 L CB -0.485 41.621 42.059 0.079 0.000 0.959 19 L HN 0.107 nan 8.230 nan 0.000 0.451 20 K N 0.945 121.360 120.400 0.025 0.000 2.298 20 K HA 0.036 4.359 4.320 0.005 0.000 0.280 20 K C -0.083 176.524 176.600 0.012 0.000 1.032 20 K CA -0.268 56.032 56.287 0.021 0.000 0.958 20 K CB 0.603 33.112 32.500 0.016 0.000 0.978 20 K HN 0.029 nan 8.250 nan 0.000 0.472 21 D N 2.068 122.471 120.400 0.005 0.000 2.837 21 D HA -0.208 4.435 4.640 0.005 0.000 0.230 21 D C 0.814 177.084 176.300 -0.050 0.000 1.152 21 D CA 0.560 54.549 54.000 -0.019 0.000 0.736 21 D CB -1.022 39.775 40.800 -0.005 0.000 1.084 21 D HN 0.544 nan 8.370 nan 0.000 0.429 22 L N 0.539 121.725 121.223 -0.061 0.000 2.191 22 L HA -0.195 4.148 4.340 0.005 0.000 0.212 22 L C 2.488 179.108 176.870 -0.417 0.000 1.103 22 L CA 1.685 56.459 54.840 -0.111 0.000 0.769 22 L CB -0.345 41.717 42.059 0.005 0.000 0.908 22 L HN 0.157 nan 8.230 nan 0.000 0.438 23 D N -0.013 120.022 120.400 -0.608 0.000 2.221 23 D HA -0.224 4.419 4.640 0.005 0.000 0.204 23 D C 1.543 177.629 176.300 -0.356 0.000 0.982 23 D CA 1.163 54.677 54.000 -0.810 0.000 0.857 23 D CB -0.241 40.317 40.800 -0.403 0.000 0.934 23 D HN 0.231 nan 8.370 nan 0.000 0.475 24 K N -0.500 119.792 120.400 -0.179 0.000 2.393 24 K HA -0.005 4.318 4.320 0.005 0.000 0.193 24 K C 0.190 176.768 176.600 -0.037 0.000 1.026 24 K CA -0.387 55.851 56.287 -0.083 0.000 1.064 24 K CB -0.337 32.138 32.500 -0.042 0.000 0.833 24 K HN 0.328 nan 8.250 nan 0.000 0.521 25 Y N 2.205 122.423 120.300 -0.136 0.000 2.377 25 Y HA 0.050 4.603 4.550 0.005 0.000 0.330 25 Y C -0.283 175.586 175.900 -0.052 0.000 1.108 25 Y CA 0.187 58.238 58.100 -0.081 0.000 1.308 25 Y CB 0.654 39.070 38.460 -0.073 0.000 1.216 25 Y HN -0.139 nan 8.280 nan 0.000 0.518 26 T N 8.417 122.443 114.554 -0.880 0.000 2.876 26 T HA 0.374 4.727 4.350 0.005 0.000 0.289 26 T C -2.864 171.188 174.700 -1.081 0.000 1.014 26 T CA -1.741 59.922 62.100 -0.727 0.000 0.986 26 T CB 1.569 70.239 68.868 -0.330 0.000 1.021 26 T HN 0.450 nan 8.240 nan 0.000 0.458 27 P HA 0.223 nan 4.420 nan 0.000 0.271 27 P C 0.322 177.520 177.300 -0.171 0.000 1.216 27 P CA -0.323 62.616 63.100 -0.267 0.000 0.771 27 P CB 1.234 32.931 31.700 -0.005 0.000 0.864 28 K N 2.140 122.490 120.400 -0.083 0.000 2.097 28 K HA -0.101 4.222 4.320 0.005 0.000 0.206 28 K C 1.147 177.723 176.600 -0.040 0.000 1.049 28 K CA 1.313 57.567 56.287 -0.055 0.000 0.933 28 K CB -0.035 32.457 32.500 -0.014 0.000 0.717 28 K HN 0.606 nan 8.250 nan 0.000 0.442 29 R N -0.585 119.901 120.500 -0.024 0.000 2.795 29 R HA 0.502 4.845 4.340 0.005 0.000 0.268 29 R C -1.056 175.237 176.300 -0.011 0.000 1.041 29 R CA -1.113 54.972 56.100 -0.025 0.000 0.927 29 R CB 1.349 31.630 30.300 -0.031 0.000 1.235 29 R HN -0.186 nan 8.270 nan 0.000 0.463 30 R N -0.326 120.161 120.500 -0.022 0.000 2.771 30 R HA 0.722 5.064 4.340 0.005 0.000 0.274 30 R C -0.804 175.485 176.300 -0.019 0.000 0.987 30 R CA -0.498 55.596 56.100 -0.010 0.000 0.908 30 R CB 2.286 32.565 30.300 -0.035 0.000 1.213 30 R HN 1.029 nan 8.270 nan 0.000 0.468 31 G N 0.951 109.759 108.800 0.013 0.000 2.699 31 G HA2 -0.212 3.751 3.960 0.005 0.000 0.686 31 G HA3 -0.212 3.751 3.960 0.005 0.000 0.686 31 G C -1.241 173.687 174.900 0.047 0.000 1.301 31 G CA -0.638 44.482 45.100 0.034 0.000 0.816 31 G HN 0.587 nan 8.290 nan 0.000 0.595 32 W N 1.932 123.143 121.300 -0.148 0.000 2.202 32 W HA 0.571 5.234 4.660 0.005 0.000 0.332 32 W C 0.590 176.917 176.519 -0.320 0.000 1.263 32 W CA 0.529 57.707 57.345 -0.278 0.000 1.223 32 W CB 1.385 30.612 29.460 -0.388 0.000 1.128 32 W HN 1.126 nan 8.180 nan 0.000 0.573 33 T N 2.368 116.315 114.554 -1.012 0.000 2.824 33 T HA 0.406 4.759 4.350 0.005 0.000 0.282 33 T C -0.869 173.284 174.700 -0.912 0.000 0.993 33 T CA -0.580 61.109 62.100 -0.686 0.000 0.967 33 T CB 0.939 69.562 68.868 -0.408 0.000 0.960 33 T HN 0.432 nan 8.240 nan 0.000 0.441 34 W N 1.546 122.766 121.300 -0.133 0.000 2.253 34 W HA 0.560 5.223 4.660 0.005 0.000 0.348 34 W C 1.110 177.594 176.519 -0.058 0.000 1.229 34 W CA -1.304 56.035 57.345 -0.010 0.000 1.335 34 W CB 0.811 30.339 29.460 0.114 0.000 1.165 34 W HN 0.464 nan 8.180 nan 0.000 0.631 35 R N 1.295 121.950 120.500 0.257 0.000 2.582 35 R HA 0.132 4.475 4.340 0.005 0.000 0.271 35 R C -0.230 176.135 176.300 0.109 0.000 1.078 35 R CA -0.648 55.520 56.100 0.114 0.000 1.127 35 R CB 0.488 30.842 30.300 0.089 0.000 1.038 35 R HN 0.254 nan 8.270 nan 0.000 0.500 36 Q N 2.613 122.445 119.800 0.053 0.000 2.322 36 Q HA 0.280 4.623 4.340 0.005 0.000 0.256 36 Q C -2.257 173.758 176.000 0.026 0.000 0.960 36 Q CA -2.304 53.523 55.803 0.039 0.000 0.934 36 Q CB 1.164 29.914 28.738 0.019 0.000 1.200 36 Q HN 0.291 nan 8.270 nan 0.000 0.435 37 P HA 0.087 nan 4.420 nan 0.000 0.268 37 P C -1.020 176.289 177.300 0.015 0.000 1.205 37 P CA -0.001 63.111 63.100 0.019 0.000 0.771 37 P CB 0.680 32.389 31.700 0.015 0.000 0.858 38 A N 2.823 125.653 122.820 0.016 0.000 2.399 38 A HA 0.256 4.579 4.320 0.005 0.000 0.327 38 A C 0.051 177.654 177.584 0.032 0.000 1.367 38 A CA -0.567 51.481 52.037 0.018 0.000 0.842 38 A CB -0.009 18.997 19.000 0.010 0.000 1.142 38 A HN 0.372 nan 8.150 nan 0.000 0.495 39 E N 2.177 122.393 120.200 0.028 0.000 2.414 39 E HA -0.013 4.340 4.350 0.005 0.000 0.263 39 E C -0.095 176.531 176.600 0.043 0.000 1.000 39 E CA 0.114 56.533 56.400 0.032 0.000 0.914 39 E CB 0.228 29.941 29.700 0.021 0.000 0.948 39 E HN 0.618 nan 8.360 nan 0.000 0.444 40 N N 0.951 119.684 118.700 0.054 0.000 2.707 40 N HA -0.244 4.499 4.740 0.005 0.000 0.253 40 N C -0.266 175.291 175.510 0.080 0.000 0.998 40 N CA 0.360 53.446 53.050 0.060 0.000 0.751 40 N CB -1.127 37.382 38.487 0.037 0.000 0.920 40 N HN 0.337 nan 8.380 nan 0.000 0.539 41 L N 0.913 122.203 121.223 0.112 0.000 2.462 41 L HA 0.095 4.438 4.340 0.005 0.000 0.272 41 L C 0.761 177.747 176.870 0.192 0.000 1.166 41 L CA 0.235 55.148 54.840 0.121 0.000 0.880 41 L CB 0.605 42.724 42.059 0.099 0.000 1.142 41 L HN 0.205 nan 8.230 nan 0.000 0.473 42 Q N 5.419 125.300 119.800 0.136 0.000 2.296 42 Q HA 0.555 4.898 4.340 0.005 0.000 0.257 42 Q C -1.306 174.793 176.000 0.164 0.000 0.942 42 Q CA 0.245 56.139 55.803 0.151 0.000 0.939 42 Q CB 0.873 29.657 28.738 0.078 0.000 1.198 42 Q HN 0.740 nan 8.270 nan 0.000 0.429 43 M N 4.026 123.785 119.600 0.265 0.000 2.204 43 M HA 0.472 4.955 4.480 0.005 0.000 0.293 43 M C 0.458 176.880 176.300 0.204 0.000 0.994 43 M CA -0.278 55.146 55.300 0.206 0.000 0.925 43 M CB 1.851 34.545 32.600 0.155 0.000 1.577 43 M HN 0.951 nan 8.290 nan 0.000 0.439 44 G N 4.249 113.107 108.800 0.097 0.000 2.634 44 G HA2 -0.259 3.704 3.960 0.005 0.000 0.309 44 G HA3 -0.259 3.704 3.960 0.005 0.000 0.309 44 G C -1.999 172.843 174.900 -0.097 0.000 1.265 44 G CA 0.079 45.194 45.100 0.024 0.000 0.998 44 G HN 0.543 nan 8.290 nan 0.000 0.551 45 P HA 0.274 nan 4.420 nan 0.000 0.241 45 P C 0.151 177.093 177.300 -0.597 0.000 1.191 45 P CA 0.792 63.549 63.100 -0.573 0.000 0.771 45 P CB 0.037 31.181 31.700 -0.926 0.000 0.929 46 F N -0.729 119.215 119.950 -0.009 0.000 2.538 46 F HA 0.464 4.994 4.527 0.005 0.000 0.325 46 F C 0.646 176.360 175.800 -0.143 0.000 1.066 46 F CA -1.547 56.358 58.000 -0.159 0.000 0.946 46 F CB 0.945 39.716 39.000 -0.381 0.000 1.199 46 F HN -0.390 nan 8.300 nan 0.000 0.473 47 I N 1.687 122.232 120.570 -0.042 0.000 2.460 47 I HA 0.346 4.519 4.170 0.005 0.000 0.298 47 I C -1.214 174.751 176.117 -0.253 0.000 0.989 47 I CA -0.815 60.468 61.300 -0.029 0.000 1.173 47 I CB 1.545 39.546 38.000 0.002 0.000 1.338 47 I HN 0.476 nan 8.210 nan 0.000 0.456 48 Y N 4.458 124.783 120.300 0.042 0.000 2.429 48 Y HA 0.319 4.871 4.550 0.005 0.000 0.342 48 Y C 0.575 176.481 175.900 0.009 0.000 1.004 48 Y CA -0.624 57.486 58.100 0.017 0.000 1.075 48 Y CB 1.630 40.099 38.460 0.015 0.000 1.214 48 Y HN 0.376 nan 8.280 nan 0.000 0.455 49 K N 0.189 120.659 120.400 0.117 0.000 2.348 49 K HA 0.119 4.442 4.320 0.005 0.000 0.194 49 K C -0.353 176.290 176.600 0.071 0.000 1.052 49 K CA 0.665 56.992 56.287 0.067 0.000 1.004 49 K CB 0.433 32.949 32.500 0.025 0.000 0.873 49 K HN 0.532 nan 8.250 nan 0.000 0.523 50 D N 0.076 120.533 120.400 0.096 0.000 2.804 50 D HA 0.222 4.865 4.640 0.005 0.000 0.308 50 D C -0.749 175.589 176.300 0.064 0.000 1.371 50 D CA -0.039 54.001 54.000 0.066 0.000 0.823 50 D CB 0.674 41.506 40.800 0.053 0.000 1.126 50 D HN 0.045 nan 8.370 nan 0.000 0.467 51 A N 0.569 123.430 122.820 0.069 0.000 2.295 51 A HA 0.700 5.023 4.320 0.005 0.000 0.318 51 A C 0.689 178.276 177.584 0.006 0.000 1.134 51 A CA -0.390 51.656 52.037 0.013 0.000 0.827 51 A CB 1.043 20.024 19.000 -0.032 0.000 1.136 51 A HN 0.130 nan 8.150 nan 0.000 0.493 52 S N 0.025 115.717 115.700 -0.013 0.000 2.768 52 S HA 0.633 5.106 4.470 0.005 0.000 0.300 52 S C 0.084 174.668 174.600 -0.027 0.000 1.122 52 S CA -0.414 57.782 58.200 -0.006 0.000 0.995 52 S CB 0.438 63.642 63.200 0.007 0.000 1.195 52 S HN 0.727 nan 8.310 nan 0.000 0.547 53 T N 3.638 118.179 114.554 -0.022 0.000 2.908 53 T HA 0.247 4.600 4.350 0.005 0.000 0.301 53 T C -2.339 172.329 174.700 -0.054 0.000 1.019 53 T CA -0.164 61.915 62.100 -0.034 0.000 1.152 53 T CB -0.478 68.371 68.868 -0.031 0.000 0.966 53 T HN 0.469 nan 8.240 nan 0.000 0.540 54 P HA 0.146 nan 4.420 nan 0.000 0.268 54 P C 0.007 177.254 177.300 -0.089 0.000 1.208 54 P CA -0.339 62.714 63.100 -0.079 0.000 0.777 54 P CB 0.429 32.087 31.700 -0.070 0.000 0.875 55 L N 1.991 123.147 121.223 -0.112 0.000 2.436 55 L HA 0.101 4.444 4.340 0.005 0.000 0.265 55 L C 1.730 178.505 176.870 -0.159 0.000 1.168 55 L CA 0.106 54.855 54.840 -0.151 0.000 0.815 55 L CB 0.160 42.101 42.059 -0.197 0.000 1.109 55 L HN 0.492 nan 8.230 nan 0.000 0.462 56 E N 0.576 120.666 120.200 -0.183 0.000 2.122 56 E HA 0.015 4.367 4.350 0.005 0.000 0.190 56 E C -0.149 176.313 176.600 -0.229 0.000 0.977 56 E CA 0.673 56.973 56.400 -0.167 0.000 0.820 56 E CB 0.292 29.909 29.700 -0.139 0.000 0.770 56 E HN 0.482 nan 8.360 nan 0.000 0.462 57 N N 0.308 118.765 118.700 -0.404 0.000 2.352 57 N HA 0.225 4.968 4.740 0.005 0.000 0.291 57 N C -1.295 173.653 175.510 -0.937 0.000 1.040 57 N CA -0.117 52.529 53.050 -0.674 0.000 0.864 57 N CB 2.126 40.046 38.487 -0.945 0.000 1.440 57 N HN 0.003 nan 8.380 nan 0.000 0.483 58 S N -0.468 114.904 115.700 -0.547 0.000 2.587 58 S HA 0.472 4.945 4.470 0.005 0.000 0.269 58 S C -1.402 173.275 174.600 0.128 0.000 1.154 58 S CA -0.723 57.339 58.200 -0.231 0.000 0.824 58 S CB 1.228 64.314 63.200 -0.191 0.000 1.118 58 S HN 0.056 nan 8.310 nan 0.000 0.462 59 V N 1.996 121.947 119.914 0.061 0.000 2.328 59 V HA 0.738 4.861 4.120 0.005 0.000 0.278 59 V C 0.907 176.915 176.094 -0.144 0.000 1.021 59 V CA -0.063 62.184 62.300 -0.087 0.000 0.838 59 V CB 0.512 32.099 31.823 -0.392 0.000 0.999 59 V HN 1.223 nan 8.190 nan 0.000 0.447 60 A N 5.564 128.365 122.820 -0.031 0.000 2.346 60 A HA 0.651 4.974 4.320 0.005 0.000 0.252 60 A C 0.104 177.714 177.584 0.045 0.000 1.089 60 A CA -0.465 51.578 52.037 0.011 0.000 0.797 60 A CB 0.207 19.232 19.000 0.040 0.000 1.047 60 A HN 0.808 nan 8.150 nan 0.000 0.494 61 L N 1.044 122.318 121.223 0.085 0.000 2.506 61 L HA 0.061 4.404 4.340 0.005 0.000 0.281 61 L C -1.246 175.687 176.870 0.104 0.000 1.228 61 L CA -1.039 53.871 54.840 0.117 0.000 0.850 61 L CB 0.165 42.307 42.059 0.137 0.000 1.110 61 L HN 0.570 nan 8.230 nan 0.000 0.496 62 P HA -0.158 nan 4.420 nan 0.000 0.215 62 P C 1.188 178.515 177.300 0.044 0.000 1.157 62 P CA 1.239 64.377 63.100 0.064 0.000 0.874 62 P CB 0.196 31.942 31.700 0.076 0.000 0.790 63 S N -1.014 114.766 115.700 0.133 0.000 2.603 63 S HA 0.086 4.559 4.470 0.005 0.000 0.229 63 S C 1.798 176.535 174.600 0.229 0.000 0.972 63 S CA 0.633 58.966 58.200 0.221 0.000 0.935 63 S CB -0.747 62.673 63.200 0.367 0.000 0.769 63 S HN 0.149 nan 8.310 nan 0.000 0.536 64 A N 2.644 125.574 122.820 0.182 0.000 2.067 64 A HA -0.150 4.172 4.320 0.005 0.000 0.219 64 A C 2.043 179.674 177.584 0.078 0.000 1.158 64 A CA 1.367 53.546 52.037 0.236 0.000 0.661 64 A CB -0.478 18.627 19.000 0.174 0.000 0.801 64 A HN 0.684 nan 8.150 nan 0.000 0.452 65 K N -1.490 118.834 120.400 -0.127 0.000 2.281 65 K HA -0.180 4.143 4.320 0.005 0.000 0.203 65 K C 1.206 177.613 176.600 -0.322 0.000 1.046 65 K CA 1.661 57.802 56.287 -0.244 0.000 0.938 65 K CB -0.541 31.746 32.500 -0.355 0.000 0.737 65 K HN 0.459 nan 8.250 nan 0.000 0.458 66 Y N 0.012 120.166 120.300 -0.243 0.000 2.516 66 Y HA 0.081 4.633 4.550 0.005 0.000 0.291 66 Y C 0.420 175.962 175.900 -0.596 0.000 1.131 66 Y CA 0.192 57.984 58.100 -0.513 0.000 1.281 66 Y CB 0.120 38.069 38.460 -0.852 0.000 1.013 66 Y HN -0.010 nan 8.280 nan 0.000 0.554 67 F N -1.031 119.053 119.950 0.224 0.000 2.818 67 F HA 0.527 5.057 4.527 0.005 0.000 0.369 67 F C 1.195 177.065 175.800 0.116 0.000 1.327 67 F CA -0.766 57.353 58.000 0.198 0.000 1.211 67 F CB 0.646 39.852 39.000 0.343 0.000 1.036 67 F HN -0.030 nan 8.300 nan 0.000 0.510 68 G N 0.268 109.167 108.800 0.165 0.000 2.198 68 G HA2 -0.308 3.655 3.960 0.005 0.000 0.260 68 G HA3 -0.308 3.655 3.960 0.005 0.000 0.260 68 G C 0.250 175.212 174.900 0.104 0.000 1.025 68 G CA 0.227 45.391 45.100 0.107 0.000 0.769 68 G HN 0.519 nan 8.290 nan 0.000 0.507 69 D N -0.895 119.573 120.400 0.113 0.000 2.751 69 D HA -0.223 4.420 4.640 0.005 0.000 0.233 69 D C 1.232 177.590 176.300 0.096 0.000 1.149 69 D CA 1.522 55.577 54.000 0.091 0.000 0.682 69 D CB -1.363 39.463 40.800 0.044 0.000 1.068 69 D HN 1.205 nan 8.370 nan 0.000 0.429 70 I N -2.315 118.340 120.570 0.142 0.000 2.836 70 I HA 0.237 4.410 4.170 0.005 0.000 0.285 70 I C 0.529 176.687 176.117 0.068 0.000 1.174 70 I CA 0.209 61.571 61.300 0.104 0.000 1.405 70 I CB 0.687 38.781 38.000 0.157 0.000 1.385 70 I HN -0.279 nan 8.210 nan 0.000 0.594 71 D N 5.748 126.148 120.400 0.000 0.000 2.513 71 D HA 0.436 5.078 4.640 0.005 0.000 0.295 71 D C -2.574 173.669 176.300 -0.094 0.000 1.202 71 D CA -1.823 52.160 54.000 -0.028 0.000 0.849 71 D CB 0.625 41.407 40.800 -0.030 0.000 1.116 71 D HN 0.329 nan 8.370 nan 0.000 0.502 72 P HA 0.090 nan 4.420 nan 0.000 0.265 72 P C -0.558 176.637 177.300 -0.175 0.000 1.193 72 P CA -0.003 62.910 63.100 -0.312 0.000 0.765 72 P CB 0.557 31.903 31.700 -0.590 0.000 0.823 73 Q N 4.257 123.969 119.800 -0.148 0.000 2.322 73 Q HA 0.380 4.722 4.340 0.005 0.000 0.265 73 Q C -2.244 173.724 176.000 -0.054 0.000 0.985 73 Q CA -1.997 53.761 55.803 -0.076 0.000 0.849 73 Q CB 1.784 30.486 28.738 -0.060 0.000 1.274 73 Q HN 0.374 nan 8.270 nan 0.000 0.449 74 P HA 0.142 nan 4.420 nan 0.000 0.275 74 P C 0.576 177.893 177.300 0.027 0.000 1.266 74 P CA -0.342 62.765 63.100 0.011 0.000 0.793 74 P CB 1.176 32.893 31.700 0.028 0.000 1.074 75 L N -1.172 120.075 121.223 0.039 0.000 2.072 75 L HA 0.069 4.412 4.340 0.005 0.000 0.205 75 L C -1.134 175.787 176.870 0.085 0.000 1.079 75 L CA 0.658 55.529 54.840 0.051 0.000 0.752 75 L CB -2.028 40.055 42.059 0.040 0.000 0.906 75 L HN 0.298 nan 8.230 nan 0.000 0.436 76 P HA 0.093 nan 4.420 nan 0.000 0.278 76 P C -0.375 177.021 177.300 0.158 0.000 1.238 76 P CA -0.141 63.044 63.100 0.142 0.000 0.794 76 P CB 0.958 32.727 31.700 0.116 0.000 0.955 77 V N 4.133 124.188 119.914 0.236 0.000 2.694 77 V HA -0.038 4.085 4.120 0.005 0.000 0.306 77 V C 0.674 176.869 176.094 0.168 0.000 1.054 77 V CA 0.707 63.111 62.300 0.174 0.000 1.161 77 V CB -0.361 31.574 31.823 0.188 0.000 0.916 77 V HN 0.361 nan 8.190 nan 0.000 0.490 78 I N 4.255 124.901 120.570 0.127 0.000 2.362 78 I HA 0.341 4.514 4.170 0.005 0.000 0.289 78 I C 0.371 176.568 176.117 0.133 0.000 0.994 78 I CA -0.025 61.346 61.300 0.118 0.000 1.158 78 I CB 1.593 39.641 38.000 0.080 0.000 1.315 78 I HN 0.599 nan 8.210 nan 0.000 0.451 79 T N 4.072 118.694 114.554 0.114 0.000 2.875 79 T HA 0.441 4.794 4.350 0.005 0.000 0.284 79 T C 0.232 174.914 174.700 -0.030 0.000 0.995 79 T CA -0.411 61.694 62.100 0.010 0.000 1.060 79 T CB 1.939 70.750 68.868 -0.094 0.000 0.967 79 T HN 0.619 nan 8.240 nan 0.000 0.476 80 T N 1.917 116.438 114.554 -0.055 0.000 2.876 80 T HA 0.372 4.725 4.350 0.005 0.000 0.289 80 T C -1.162 173.505 174.700 -0.056 0.000 1.014 80 T CA -0.800 61.283 62.100 -0.029 0.000 0.986 80 T CB 1.032 69.915 68.868 0.026 0.000 1.021 80 T HN 0.606 nan 8.240 nan 0.000 0.458 81 E N 3.617 123.796 120.200 -0.035 0.000 2.146 81 E HA 0.479 4.832 4.350 0.005 0.000 0.282 81 E C -0.655 175.965 176.600 0.033 0.000 0.989 81 E CA -0.383 56.005 56.400 -0.020 0.000 0.799 81 E CB 1.345 31.029 29.700 -0.027 0.000 1.088 81 E HN 0.488 nan 8.360 nan 0.000 0.397 82 I N 2.476 123.082 120.570 0.060 0.000 2.476 82 I HA 0.478 4.651 4.170 0.005 0.000 0.281 82 I C -0.724 175.469 176.117 0.127 0.000 1.040 82 I CA -0.582 60.782 61.300 0.106 0.000 1.094 82 I CB 1.630 39.710 38.000 0.133 0.000 1.219 82 I HN 0.530 nan 8.210 nan 0.000 0.450 83 A N 3.535 126.430 122.820 0.126 0.000 2.771 83 A HA 0.372 4.695 4.320 0.005 0.000 0.301 83 A C 0.380 178.056 177.584 0.155 0.000 1.194 83 A CA -0.294 51.829 52.037 0.142 0.000 0.837 83 A CB 0.561 19.620 19.000 0.099 0.000 1.438 83 A HN 0.687 nan 8.150 nan 0.000 0.436 84 S N 0.301 116.134 115.700 0.223 0.000 2.524 84 S HA 0.423 4.896 4.470 0.005 0.000 0.216 84 S C 1.489 176.340 174.600 0.418 0.000 0.987 84 S CA 1.076 59.446 58.200 0.284 0.000 0.909 84 S CB 0.241 63.675 63.200 0.390 0.000 0.781 84 S HN 2.471 nan 8.310 nan 0.000 0.521 85 G N 1.314 110.310 108.800 0.325 0.000 2.232 85 G HA2 -0.197 3.766 3.960 0.005 0.000 0.226 85 G HA3 -0.197 3.766 3.960 0.005 0.000 0.226 85 G C 0.105 175.109 174.900 0.174 0.000 0.996 85 G CA -0.276 44.997 45.100 0.288 0.000 0.626 85 G HN 0.553 nan 8.290 nan 0.000 0.509 86 R N 0.426 121.016 120.500 0.150 0.000 2.407 86 R HA 0.447 4.790 4.340 0.005 0.000 0.298 86 R C 1.228 177.511 176.300 -0.029 0.000 1.166 86 R CA -0.348 55.686 56.100 -0.111 0.000 1.006 86 R CB 0.182 30.148 30.300 -0.556 0.000 1.145 86 R HN 0.356 nan 8.270 nan 0.000 0.538 87 F N 1.993 121.968 119.950 0.041 0.000 2.333 87 F HA -0.131 4.399 4.527 0.005 0.000 0.300 87 F C 1.960 177.790 175.800 0.051 0.000 1.083 87 F CA 0.937 58.980 58.000 0.072 0.000 1.395 87 F CB 0.007 39.050 39.000 0.072 0.000 1.056 87 F HN 0.377 nan 8.300 nan 0.000 0.529 88 E N 0.807 120.412 120.200 -0.993 0.000 2.152 88 E HA -0.198 4.155 4.350 0.005 0.000 0.192 88 E C 1.014 177.468 176.600 -0.243 0.000 0.983 88 E CA 1.484 57.462 56.400 -0.704 0.000 0.818 88 E CB -0.796 28.448 29.700 -0.761 0.000 0.758 88 E HN 0.508 nan 8.360 nan 0.000 0.467 89 D N 1.489 121.802 120.400 -0.145 0.000 2.162 89 D HA -0.087 4.556 4.640 0.005 0.000 0.203 89 D C 1.242 177.614 176.300 0.119 0.000 0.967 89 D CA 0.935 54.956 54.000 0.035 0.000 0.840 89 D CB -0.087 40.816 40.800 0.172 0.000 0.972 89 D HN 0.158 nan 8.370 nan 0.000 0.482 90 D N 0.985 121.472 120.400 0.145 0.000 2.221 90 D HA -0.101 4.542 4.640 0.005 0.000 0.204 90 D C 2.168 178.555 176.300 0.144 0.000 0.982 90 D CA 0.292 54.405 54.000 0.188 0.000 0.857 90 D CB -0.248 40.684 40.800 0.220 0.000 0.934 90 D HN 0.304 nan 8.370 nan 0.000 0.475 91 I N 0.596 121.231 120.570 0.108 0.000 2.286 91 I HA -0.247 3.925 4.170 0.005 0.000 0.248 91 I C 2.397 178.543 176.117 0.048 0.000 1.115 91 I CA 0.990 62.340 61.300 0.085 0.000 1.392 91 I CB -0.048 37.993 38.000 0.068 0.000 1.065 91 I HN -0.051 nan 8.210 nan 0.000 0.418 92 R N 0.127 120.637 120.500 0.016 0.000 2.081 92 R HA -0.161 4.182 4.340 0.005 0.000 0.235 92 R C 2.437 178.703 176.300 -0.057 0.000 1.131 92 R CA 1.163 57.241 56.100 -0.038 0.000 0.960 92 R CB -0.414 29.836 30.300 -0.083 0.000 0.856 92 R HN 0.304 nan 8.270 nan 0.000 0.436 93 R N 0.817 121.299 120.500 -0.029 0.000 2.115 93 R HA -0.057 4.286 4.340 0.005 0.000 0.230 93 R C 2.194 178.535 176.300 0.068 0.000 1.111 93 R CA 1.225 57.326 56.100 0.002 0.000 0.976 93 R CB -0.050 30.365 30.300 0.192 0.000 0.870 93 R HN 0.205 nan 8.270 nan 0.000 0.445 94 M N -0.333 119.323 119.600 0.092 0.000 2.108 94 M HA -0.210 4.273 4.480 0.005 0.000 0.261 94 M C 2.465 178.837 176.300 0.119 0.000 1.066 94 M CA 1.719 57.085 55.300 0.110 0.000 1.107 94 M CB -0.310 32.358 32.600 0.114 0.000 1.356 94 M HN 0.126 nan 8.290 nan 0.000 0.406 95 R N 0.701 121.262 120.500 0.102 0.000 2.073 95 R HA -0.134 4.209 4.340 0.005 0.000 0.234 95 R C 2.047 178.466 176.300 0.198 0.000 1.134 95 R CA 1.677 57.869 56.100 0.154 0.000 0.952 95 R CB -0.149 30.204 30.300 0.088 0.000 0.850 95 R HN 0.347 nan 8.270 nan 0.000 0.433 96 M N 0.011 119.662 119.600 0.085 0.000 2.108 96 M HA -0.140 4.343 4.480 0.005 0.000 0.261 96 M C 2.491 178.947 176.300 0.260 0.000 1.066 96 M CA 1.980 57.346 55.300 0.110 0.000 1.107 96 M CB -0.332 32.266 32.600 -0.003 0.000 1.356 96 M HN 0.276 nan 8.290 nan 0.000 0.406 97 A N 0.422 123.353 122.820 0.183 0.000 1.930 97 A HA 0.032 4.355 4.320 0.005 0.000 0.217 97 A C 2.426 180.142 177.584 0.220 0.000 1.175 97 A CA 1.747 53.893 52.037 0.182 0.000 0.627 97 A CB -0.881 18.193 19.000 0.123 0.000 0.815 97 A HN 0.493 nan 8.150 nan 0.000 0.443 98 A N -1.371 121.579 122.820 0.217 0.000 1.902 98 A HA -0.151 4.172 4.320 0.005 0.000 0.217 98 A C 1.904 179.585 177.584 0.161 0.000 1.181 98 A CA 1.429 53.563 52.037 0.161 0.000 0.623 98 A CB -0.876 18.207 19.000 0.139 0.000 0.818 98 A HN 0.712 nan 8.150 nan 0.000 0.443 99 W N -0.393 120.940 121.300 0.055 0.000 2.392 99 W HA -0.073 4.590 4.660 0.005 0.000 0.279 99 W C 1.985 178.463 176.519 -0.069 0.000 1.225 99 W CA 1.409 58.750 57.345 -0.006 0.000 1.233 99 W CB -0.315 29.139 29.460 -0.009 0.000 1.122 99 W HN 0.495 nan 8.180 nan 0.000 0.561 100 H N -1.213 117.987 119.070 0.217 0.000 2.533 100 H HA 0.238 4.797 4.556 0.005 0.000 0.271 100 H C 1.719 177.095 175.328 0.080 0.000 1.000 100 H CA 0.948 57.075 56.048 0.133 0.000 1.149 100 H CB 0.127 29.959 29.762 0.117 0.000 1.375 100 H HN 0.255 nan 8.280 nan 0.000 0.582 101 G N 0.541 109.418 108.800 0.129 0.000 2.184 101 G HA2 -0.221 3.741 3.960 0.005 0.000 0.206 101 G HA3 -0.221 3.741 3.960 0.005 0.000 0.206 101 G C 0.444 175.379 174.900 0.060 0.000 0.995 101 G CA -0.074 45.062 45.100 0.059 0.000 0.651 101 G HN 0.557 nan 8.290 nan 0.000 0.511 102 A N 1.275 124.147 122.820 0.087 0.000 2.451 102 A HA 0.528 4.851 4.320 0.005 0.000 0.266 102 A C 0.928 178.541 177.584 0.049 0.000 1.119 102 A CA 0.828 52.910 52.037 0.074 0.000 0.786 102 A CB 0.217 19.268 19.000 0.084 0.000 1.061 102 A HN 0.715 nan 8.150 nan 0.000 0.503 103 D N 1.345 121.766 120.400 0.034 0.000 2.538 103 D HA 0.077 4.720 4.640 0.005 0.000 0.231 103 D C -0.031 176.268 176.300 -0.001 0.000 1.229 103 D CA 0.150 54.140 54.000 -0.016 0.000 0.828 103 D CB -0.391 40.362 40.800 -0.079 0.000 1.035 103 D HN 0.702 nan 8.370 nan 0.000 0.495 104 H N 0.422 119.457 119.070 -0.057 0.000 3.181 104 H HA 0.295 4.854 4.556 0.005 0.000 0.331 104 H C -1.286 174.052 175.328 0.017 0.000 0.988 104 H CA -0.670 55.353 56.048 -0.042 0.000 1.449 104 H CB 1.138 30.902 29.762 0.004 0.000 1.749 104 H HN -0.130 nan 8.280 nan 0.000 0.501 105 I N 6.156 126.766 120.570 0.066 0.000 2.330 105 I HA 0.209 4.382 4.170 0.005 0.000 0.289 105 I C -0.093 175.975 176.117 -0.082 0.000 1.001 105 I CA -0.416 60.893 61.300 0.015 0.000 1.193 105 I CB 1.407 39.501 38.000 0.157 0.000 1.345 105 I HN 0.625 nan 8.210 nan 0.000 0.461 106 M N 7.151 126.648 119.600 -0.173 0.000 2.205 106 M HA 0.457 4.940 4.480 0.005 0.000 0.344 106 M C -1.378 174.905 176.300 -0.029 0.000 1.085 106 M CA -0.553 54.641 55.300 -0.177 0.000 1.001 106 M CB 1.557 33.966 32.600 -0.319 0.000 1.626 106 M HN 0.274 nan 8.290 nan 0.000 0.442 107 V N 7.097 127.010 119.914 -0.000 0.000 2.311 107 V HA 0.350 4.473 4.120 0.005 0.000 0.275 107 V C 0.155 176.348 176.094 0.166 0.000 1.022 107 V CA -0.605 61.738 62.300 0.072 0.000 0.830 107 V CB 0.894 32.746 31.823 0.048 0.000 1.012 107 V HN 0.800 nan 8.190 nan 0.000 0.452 108 I N 5.444 126.076 120.570 0.104 0.000 2.618 108 I HA 0.185 4.358 4.170 0.005 0.000 0.284 108 I C 1.047 177.113 176.117 -0.085 0.000 1.146 108 I CA 0.054 61.309 61.300 -0.074 0.000 1.425 108 I CB 0.422 38.353 38.000 -0.116 0.000 1.383 108 I HN 0.544 nan 8.210 nan 0.000 0.562 109 R N 3.380 123.755 120.500 -0.208 0.000 2.615 109 R HA 0.184 4.527 4.340 0.005 0.000 0.270 109 R C 0.270 176.514 176.300 -0.093 0.000 1.081 109 R CA -0.529 55.509 56.100 -0.104 0.000 1.154 109 R CB 0.424 30.646 30.300 -0.131 0.000 1.063 109 R HN 0.538 nan 8.270 nan 0.000 0.519 110 T N 0.836 115.373 114.554 -0.028 0.000 2.939 110 T HA 0.078 4.431 4.350 0.005 0.000 0.319 110 T C 0.233 174.898 174.700 -0.059 0.000 1.082 110 T CA -0.297 61.803 62.100 -0.000 0.000 1.133 110 T CB 0.301 69.212 68.868 0.071 0.000 1.019 110 T HN 0.600 nan 8.240 nan 0.000 0.548 111 A N 3.129 125.937 122.820 -0.021 0.000 2.548 111 A HA 0.478 4.801 4.320 0.005 0.000 0.247 111 A C 1.645 179.207 177.584 -0.037 0.000 1.067 111 A CA 0.361 52.380 52.037 -0.031 0.000 0.757 111 A CB -1.016 17.989 19.000 0.008 0.000 0.996 111 A HN 2.056 nan 8.150 nan 0.000 0.504 112 G N 1.587 110.347 108.800 -0.068 0.000 2.143 112 G HA2 -0.347 3.616 3.960 0.005 0.000 0.249 112 G HA3 -0.347 3.616 3.960 0.005 0.000 0.249 112 G C 0.880 175.626 174.900 -0.255 0.000 0.981 112 G CA 0.933 46.006 45.100 -0.045 0.000 0.665 112 G HN 1.086 nan 8.290 nan 0.000 0.528 113 Q N 0.484 120.000 119.800 -0.474 0.000 2.197 113 Q HA -0.075 4.268 4.340 0.005 0.000 0.207 113 Q C 2.584 178.266 176.000 -0.530 0.000 0.984 113 Q CA 2.129 57.384 55.803 -0.914 0.000 0.869 113 Q CB -0.370 28.009 28.738 -0.598 0.000 0.906 113 Q HN 0.527 nan 8.270 nan 0.000 0.426 114 S N -0.306 115.204 115.700 -0.316 0.000 2.423 114 S HA -0.191 4.282 4.470 0.005 0.000 0.238 114 S C 1.250 175.706 174.600 -0.241 0.000 1.028 114 S CA 1.205 59.256 58.200 -0.247 0.000 1.000 114 S CB -0.340 62.703 63.200 -0.260 0.000 0.797 114 S HN 0.552 nan 8.310 nan 0.000 0.487 115 H N -0.990 118.049 119.070 -0.052 0.000 2.551 115 H HA 0.140 4.699 4.556 0.005 0.000 0.266 115 H C -0.291 175.154 175.328 0.195 0.000 0.964 115 H CA 0.079 56.162 56.048 0.058 0.000 1.180 115 H CB -0.073 29.730 29.762 0.068 0.000 1.408 115 H HN 0.317 nan 8.280 nan 0.000 0.563 116 Y N 1.773 122.135 120.300 0.103 0.000 2.650 116 Y HA -0.022 4.531 4.550 0.005 0.000 0.342 116 Y C 0.948 176.875 175.900 0.046 0.000 1.110 116 Y CA -0.778 57.360 58.100 0.064 0.000 1.438 116 Y CB -0.132 38.352 38.460 0.040 0.000 1.181 116 Y HN 0.022 nan 8.280 nan 0.000 0.526 117 D N 2.506 123.018 120.400 0.186 0.000 2.934 117 D HA 0.382 5.025 4.640 0.005 0.000 0.237 117 D C 0.441 176.792 176.300 0.085 0.000 1.158 117 D CA 0.561 54.630 54.000 0.115 0.000 0.971 117 D CB -0.485 40.369 40.800 0.091 0.000 1.123 117 D HN 0.813 nan 8.370 nan 0.000 0.467 118 G N 0.033 108.891 108.800 0.095 0.000 2.353 118 G HA2 0.068 4.031 3.960 0.005 0.000 0.308 118 G HA3 0.068 4.031 3.960 0.005 0.000 0.308 118 G C -1.012 173.934 174.900 0.077 0.000 1.418 118 G CA -1.047 44.090 45.100 0.061 0.000 0.966 118 G HN 0.190 nan 8.290 nan 0.000 0.638 119 L N 0.435 121.685 121.223 0.045 0.000 2.467 119 L HA 0.487 4.830 4.340 0.005 0.000 0.270 119 L C 1.068 177.967 176.870 0.049 0.000 1.205 119 L CA -0.337 54.534 54.840 0.053 0.000 0.828 119 L CB 0.528 42.601 42.059 0.025 0.000 1.101 119 L HN 0.641 nan 8.230 nan 0.000 0.479 120 I N -1.546 119.071 120.570 0.077 0.000 2.947 120 I HA 0.594 4.767 4.170 0.005 0.000 0.314 120 I C -0.429 175.693 176.117 0.008 0.000 1.028 120 I CA -0.786 60.525 61.300 0.019 0.000 1.077 120 I CB 1.478 39.489 38.000 0.019 0.000 1.274 120 I HN 0.407 nan 8.210 nan 0.000 0.485 121 E N 1.337 121.521 120.200 -0.027 0.000 2.369 121 E HA 0.669 5.022 4.350 0.005 0.000 0.270 121 E C -0.027 176.542 176.600 -0.052 0.000 0.909 121 E CA -0.156 56.209 56.400 -0.059 0.000 0.775 121 E CB 1.797 31.444 29.700 -0.089 0.000 1.270 121 E HN 1.114 nan 8.360 nan 0.000 0.445 122 G N 0.726 109.479 108.800 -0.078 0.000 2.568 122 G HA2 -0.225 3.738 3.960 0.005 0.000 0.222 122 G HA3 -0.225 3.738 3.960 0.005 0.000 0.222 122 G C -0.223 174.674 174.900 -0.004 0.000 1.321 122 G CA -0.033 45.042 45.100 -0.042 0.000 0.893 122 G HN 0.850 nan 8.290 nan 0.000 0.569 123 T N -1.233 113.351 114.554 0.051 0.000 3.732 123 T HA 0.629 4.982 4.350 0.005 0.000 0.234 123 T C -2.204 172.571 174.700 0.125 0.000 1.146 123 T CA -0.178 62.000 62.100 0.131 0.000 1.454 123 T CB 1.780 70.826 68.868 0.297 0.000 0.910 123 T HN 0.666 nan 8.240 nan 0.000 0.640 124 P HA 0.153 nan 4.420 nan 0.000 0.272 124 P C -0.089 177.260 177.300 0.082 0.000 1.223 124 P CA -0.210 62.929 63.100 0.065 0.000 0.784 124 P CB 0.770 32.503 31.700 0.055 0.000 0.923 125 Q N 1.070 120.895 119.800 0.042 0.000 2.337 125 Q HA 0.396 4.739 4.340 0.005 0.000 0.270 125 Q C 0.181 176.229 176.000 0.079 0.000 1.002 125 Q CA 0.124 55.943 55.803 0.026 0.000 0.888 125 Q CB 0.091 28.808 28.738 -0.035 0.000 1.222 125 Q HN 0.631 nan 8.270 nan 0.000 0.400 126 G N 3.082 111.947 108.800 0.109 0.000 2.488 126 G HA2 0.634 4.596 3.960 0.005 0.000 0.318 126 G HA3 0.634 4.596 3.960 0.005 0.000 0.318 126 G C -0.933 174.054 174.900 0.144 0.000 1.188 126 G CA -0.867 44.313 45.100 0.134 0.000 0.944 126 G HN 0.721 nan 8.290 nan 0.000 0.495 127 I N 0.351 120.995 120.570 0.123 0.000 2.439 127 I HA 0.453 4.626 4.170 0.005 0.000 0.285 127 I C 0.904 177.070 176.117 0.082 0.000 1.021 127 I CA -0.257 61.112 61.300 0.114 0.000 1.091 127 I CB 1.831 39.888 38.000 0.095 0.000 1.242 127 I HN 0.898 nan 8.210 nan 0.000 0.439 128 G N 3.847 112.695 108.800 0.081 0.000 2.168 128 G HA2 -0.006 3.957 3.960 0.005 0.000 0.257 128 G HA3 -0.006 3.957 3.960 0.005 0.000 0.257 128 G C 0.319 175.237 174.900 0.029 0.000 0.997 128 G CA 0.134 45.259 45.100 0.042 0.000 0.708 128 G HN 1.371 nan 8.290 nan 0.000 0.520 129 G N -2.829 106.011 108.800 0.066 0.000 2.315 129 G HA2 0.549 4.512 3.960 0.005 0.000 0.294 129 G HA3 0.549 4.512 3.960 0.005 0.000 0.294 129 G C -1.199 173.764 174.900 0.105 0.000 1.300 129 G CA 0.108 45.242 45.100 0.057 0.000 0.843 129 G HN 1.151 nan 8.290 nan 0.000 0.527 130 V N 1.621 121.600 119.914 0.109 0.000 2.427 130 V HA 0.501 4.624 4.120 0.005 0.000 0.286 130 V C -2.071 174.097 176.094 0.123 0.000 1.034 130 V CA -1.439 60.951 62.300 0.150 0.000 0.893 130 V CB 1.910 33.847 31.823 0.190 0.000 0.982 130 V HN 0.517 nan 8.190 nan 0.000 0.452 131 P HA 0.196 nan 4.420 nan 0.000 0.276 131 P C -0.527 176.849 177.300 0.127 0.000 1.264 131 P CA -0.212 62.974 63.100 0.143 0.000 0.769 131 P CB 0.196 31.999 31.700 0.171 0.000 0.840 132 I N 4.374 125.026 120.570 0.137 0.000 2.436 132 I HA 0.180 4.353 4.170 0.005 0.000 0.289 132 I C 1.116 177.323 176.117 0.151 0.000 1.083 132 I CA 0.548 61.947 61.300 0.165 0.000 1.372 132 I CB -0.272 37.876 38.000 0.248 0.000 1.408 132 I HN 0.374 nan 8.210 nan 0.000 0.516 133 T N 3.011 117.625 114.554 0.100 0.000 2.865 133 T HA 0.435 4.788 4.350 0.005 0.000 0.294 133 T C 0.963 175.703 174.700 0.066 0.000 1.119 133 T CA -0.871 61.268 62.100 0.066 0.000 1.007 133 T CB 2.185 71.054 68.868 0.002 0.000 1.225 133 T HN 0.576 nan 8.240 nan 0.000 0.515 134 R N 0.560 121.090 120.500 0.051 0.000 2.091 134 R HA -0.086 4.257 4.340 0.005 0.000 0.238 134 R C 2.237 178.590 176.300 0.087 0.000 1.136 134 R CA 1.840 57.994 56.100 0.090 0.000 0.959 134 R CB -0.264 30.076 30.300 0.066 0.000 0.856 134 R HN 0.759 nan 8.270 nan 0.000 0.437 135 K N 0.042 120.436 120.400 -0.011 0.000 2.057 135 K HA -0.190 4.133 4.320 0.005 0.000 0.206 135 K C 2.246 178.769 176.600 -0.129 0.000 1.050 135 K CA 1.507 57.812 56.287 0.030 0.000 0.935 135 K CB -0.077 32.401 32.500 -0.038 0.000 0.715 135 K HN 0.155 nan 8.250 nan 0.000 0.439 136 Q N 0.980 120.608 119.800 -0.286 0.000 2.079 136 Q HA -0.109 4.233 4.340 0.005 0.000 0.200 136 Q C 1.961 177.762 176.000 -0.331 0.000 0.974 136 Q CA 1.523 56.940 55.803 -0.643 0.000 0.840 136 Q CB -0.204 28.138 28.738 -0.660 0.000 0.898 136 Q HN 0.233 nan 8.270 nan 0.000 0.430 137 V N 1.742 121.600 119.914 -0.093 0.000 2.287 137 V HA -0.268 3.855 4.120 0.005 0.000 0.248 137 V C 2.704 178.727 176.094 -0.118 0.000 1.053 137 V CA 2.231 64.532 62.300 0.002 0.000 1.027 137 V CB -0.585 31.330 31.823 0.154 0.000 0.646 137 V HN 0.361 nan 8.190 nan 0.000 0.447 138 R N -0.021 120.447 120.500 -0.053 0.000 2.073 138 R HA -0.142 4.201 4.340 0.005 0.000 0.234 138 R C 2.457 178.521 176.300 -0.394 0.000 1.134 138 R CA 1.528 57.552 56.100 -0.125 0.000 0.952 138 R CB -0.678 29.664 30.300 0.070 0.000 0.850 138 R HN 0.539 nan 8.270 nan 0.000 0.433 139 A N 1.202 123.870 122.820 -0.253 0.000 1.908 139 A HA -0.227 4.096 4.320 0.005 0.000 0.218 139 A C 2.070 179.528 177.584 -0.210 0.000 1.181 139 A CA 1.357 53.280 52.037 -0.190 0.000 0.627 139 A CB -0.387 18.612 19.000 -0.001 0.000 0.818 139 A HN 0.351 nan 8.150 nan 0.000 0.445 140 Q N -1.615 118.037 119.800 -0.248 0.000 2.123 140 Q HA -0.120 4.223 4.340 0.005 0.000 0.199 140 Q C 2.355 178.068 176.000 -0.479 0.000 0.966 140 Q CA 1.257 56.887 55.803 -0.288 0.000 0.845 140 Q CB -0.123 28.460 28.738 -0.257 0.000 0.907 140 Q HN 0.490 nan 8.270 nan 0.000 0.439 141 R N 1.653 121.796 120.500 -0.595 0.000 2.115 141 R HA -0.093 4.250 4.340 0.005 0.000 0.230 141 R C 1.883 178.014 176.300 -0.282 0.000 1.111 141 R CA 1.465 57.301 56.100 -0.439 0.000 0.976 141 R CB -0.125 30.039 30.300 -0.227 0.000 0.870 141 R HN 0.075 nan 8.270 nan 0.000 0.445 142 K N -0.614 119.457 120.400 -0.547 0.000 2.001 142 K HA -0.051 4.272 4.320 0.005 0.000 0.208 142 K C 1.857 178.340 176.600 -0.195 0.000 1.048 142 K CA 1.381 57.347 56.287 -0.536 0.000 0.932 142 K CB -0.266 31.736 32.500 -0.829 0.000 0.715 142 K HN 0.180 nan 8.250 nan 0.000 0.437 143 A N 1.413 124.128 122.820 -0.175 0.000 1.908 143 A HA -0.154 4.169 4.320 0.005 0.000 0.218 143 A C 2.121 179.677 177.584 -0.046 0.000 1.181 143 A CA 1.449 53.442 52.037 -0.074 0.000 0.627 143 A CB -0.666 18.309 19.000 -0.041 0.000 0.818 143 A HN 0.359 nan 8.150 nan 0.000 0.445 144 L N -0.665 120.511 121.223 -0.078 0.000 2.201 144 L HA -0.150 4.193 4.340 0.005 0.000 0.212 144 L C 1.896 178.758 176.870 -0.014 0.000 1.105 144 L CA 0.991 55.808 54.840 -0.037 0.000 0.775 144 L CB -0.559 41.464 42.059 -0.060 0.000 0.913 144 L HN 0.293 nan 8.230 nan 0.000 0.440 145 D N 0.312 120.709 120.400 -0.006 0.000 2.123 145 D HA -0.169 4.474 4.640 0.005 0.000 0.196 145 D C 2.343 178.655 176.300 0.020 0.000 0.992 145 D CA 1.288 55.303 54.000 0.025 0.000 0.833 145 D CB -0.149 40.701 40.800 0.082 0.000 0.954 145 D HN 0.263 nan 8.370 nan 0.000 0.455 146 L N 0.166 121.401 121.223 0.020 0.000 2.056 146 L HA -0.066 4.277 4.340 0.005 0.000 0.207 146 L C 2.498 179.391 176.870 0.038 0.000 1.078 146 L CA 0.623 55.480 54.840 0.028 0.000 0.749 146 L CB -0.268 41.808 42.059 0.029 0.000 0.901 146 L HN -0.006 nan 8.230 nan 0.000 0.433 147 I N 0.216 120.812 120.570 0.043 0.000 2.252 147 I HA -0.273 3.900 4.170 0.005 0.000 0.245 147 I C 2.692 178.824 176.117 0.024 0.000 1.102 147 I CA 1.585 62.928 61.300 0.071 0.000 1.385 147 I CB -0.324 37.728 38.000 0.087 0.000 1.064 147 I HN 0.394 nan 8.210 nan 0.000 0.414 148 E N 1.748 121.946 120.200 -0.002 0.000 2.152 148 E HA -0.267 4.086 4.350 0.005 0.000 0.192 148 E C 1.871 178.439 176.600 -0.053 0.000 0.983 148 E CA 1.265 57.642 56.400 -0.038 0.000 0.818 148 E CB -0.410 29.266 29.700 -0.040 0.000 0.758 148 E HN 0.707 nan 8.360 nan 0.000 0.467 149 E N 1.459 121.641 120.200 -0.030 0.000 2.216 149 E HA -0.217 4.136 4.350 0.005 0.000 0.192 149 E C 2.095 178.668 176.600 -0.045 0.000 0.988 149 E CA 0.931 57.310 56.400 -0.035 0.000 0.834 149 E CB -0.142 29.549 29.700 -0.015 0.000 0.772 149 E HN 0.462 nan 8.360 nan 0.000 0.479 150 E N 1.300 121.483 120.200 -0.028 0.000 2.047 150 E HA -0.177 4.176 4.350 0.005 0.000 0.191 150 E C 2.268 178.754 176.600 -0.190 0.000 0.987 150 E CA 1.962 58.343 56.400 -0.032 0.000 0.799 150 E CB 0.072 29.829 29.700 0.094 0.000 0.752 150 E HN 0.320 nan 8.360 nan 0.000 0.449 151 V N -2.638 117.121 119.914 -0.258 0.000 2.871 151 V HA 0.259 4.382 4.120 0.005 0.000 0.256 151 V C 1.470 177.399 176.094 -0.275 0.000 1.082 151 V CA 0.933 62.978 62.300 -0.426 0.000 1.105 151 V CB -0.230 31.331 31.823 -0.435 0.000 0.713 151 V HN 0.416 nan 8.190 nan 0.000 0.473 152 G N 0.304 108.999 108.800 -0.175 0.000 2.130 152 G HA2 -0.219 3.744 3.960 0.005 0.000 0.216 152 G HA3 -0.219 3.744 3.960 0.005 0.000 0.216 152 G C 0.096 174.930 174.900 -0.110 0.000 0.999 152 G CA 0.267 45.290 45.100 -0.129 0.000 0.686 152 G HN 0.952 nan 8.290 nan 0.000 0.515 153 R N -0.275 120.159 120.500 -0.110 0.000 2.561 153 R HA 0.462 4.805 4.340 0.005 0.000 0.266 153 R C -3.149 173.091 176.300 -0.100 0.000 1.091 153 R CA -1.502 54.538 56.100 -0.099 0.000 0.927 153 R CB 1.618 31.858 30.300 -0.102 0.000 1.240 153 R HN -0.006 nan 8.270 nan 0.000 0.449 154 P HA 0.154 nan 4.420 nan 0.000 0.266 154 P C -0.581 176.630 177.300 -0.148 0.000 1.195 154 P CA 0.166 63.193 63.100 -0.123 0.000 0.768 154 P CB 0.462 32.071 31.700 -0.150 0.000 0.838 155 I N 2.868 123.366 120.570 -0.120 0.000 2.433 155 I HA 0.237 4.410 4.170 0.005 0.000 0.292 155 I C 0.349 176.392 176.117 -0.124 0.000 1.001 155 I CA -0.713 60.522 61.300 -0.107 0.000 1.119 155 I CB 1.288 39.272 38.000 -0.027 0.000 1.289 155 I HN 0.175 nan 8.210 nan 0.000 0.438 156 N N 5.397 123.971 118.700 -0.211 0.000 2.430 156 N HA 0.115 4.858 4.740 0.005 0.000 0.265 156 N C -1.016 174.590 175.510 0.160 0.000 1.100 156 N CA -0.175 52.755 53.050 -0.201 0.000 0.961 156 N CB 1.185 39.204 38.487 -0.781 0.000 1.075 156 N HN 0.417 nan 8.380 nan 0.000 0.478 157 Y N 2.056 122.387 120.300 0.052 0.000 2.323 157 Y HA 0.280 4.833 4.550 0.005 0.000 0.331 157 Y C -0.513 175.478 175.900 0.152 0.000 1.092 157 Y CA -0.521 57.630 58.100 0.085 0.000 1.150 157 Y CB 0.636 39.099 38.460 0.004 0.000 1.200 157 Y HN 0.572 nan 8.280 nan 0.000 0.472 158 H N 2.998 121.764 119.070 -0.507 0.000 2.954 158 H HA 0.559 5.118 4.556 0.005 0.000 0.361 158 H C -1.265 173.776 175.328 -0.479 0.000 1.122 158 H CA -0.237 55.630 56.048 -0.301 0.000 1.217 158 H CB 1.690 31.512 29.762 0.100 0.000 1.776 158 H HN 0.727 nan 8.280 nan 0.000 0.533 159 S N 2.555 118.014 115.700 -0.401 0.000 3.121 159 S HA 0.466 4.939 4.470 0.005 0.000 0.324 159 S C -1.857 172.727 174.600 -0.027 0.000 1.192 159 S CA -0.562 57.590 58.200 -0.081 0.000 0.937 159 S CB 0.562 63.721 63.200 -0.067 0.000 1.336 159 S HN 0.511 nan 8.310 nan 0.000 0.664 160 Y N 0.524 120.937 120.300 0.188 0.000 2.364 160 Y HA 0.509 5.062 4.550 0.005 0.000 0.340 160 Y C 0.590 176.554 175.900 0.106 0.000 0.975 160 Y CA -0.690 57.477 58.100 0.112 0.000 1.089 160 Y CB 1.842 40.266 38.460 -0.060 0.000 1.192 160 Y HN 0.285 nan 8.280 nan 0.000 0.454 161 V N 1.475 121.476 119.914 0.144 0.000 3.596 161 V HA 0.012 4.135 4.120 0.005 0.000 0.289 161 V C 0.454 176.542 176.094 -0.009 0.000 1.336 161 V CA 0.132 62.410 62.300 -0.036 0.000 1.137 161 V CB -0.511 31.275 31.823 -0.062 0.000 0.966 161 V HN 0.719 nan 8.190 nan 0.000 0.428 162 S N 0.809 116.546 115.700 0.060 0.000 2.576 162 S HA 0.528 5.001 4.470 0.005 0.000 0.272 162 S C 0.731 175.350 174.600 0.032 0.000 1.352 162 S CA 0.696 58.938 58.200 0.071 0.000 1.021 162 S CB 0.933 64.186 63.200 0.089 0.000 0.887 162 S HN 0.944 nan 8.310 nan 0.000 0.542 163 G N -0.271 108.552 108.800 0.037 0.000 2.396 163 G HA2 -0.134 3.829 3.960 0.005 0.000 0.254 163 G HA3 -0.134 3.829 3.960 0.005 0.000 0.254 163 G C 0.418 175.301 174.900 -0.028 0.000 1.248 163 G CA -0.202 44.879 45.100 -0.031 0.000 1.033 163 G HN 1.445 nan 8.290 nan 0.000 0.502 164 V N -2.790 117.115 119.914 -0.015 0.000 3.306 164 V HA 0.571 4.694 4.120 0.005 0.000 0.264 164 V C 1.803 177.911 176.094 0.024 0.000 1.149 164 V CA 2.231 64.542 62.300 0.018 0.000 1.143 164 V CB 0.104 31.962 31.823 0.059 0.000 0.767 164 V HN 2.353 nan 8.190 nan 0.000 0.476 165 A N 0.507 123.334 122.820 0.012 0.000 2.911 165 A HA 0.685 5.008 4.320 0.005 0.000 0.304 165 A C 1.714 179.278 177.584 -0.033 0.000 1.144 165 A CA 0.358 52.399 52.037 0.007 0.000 0.988 165 A CB -0.404 18.612 19.000 0.028 0.000 1.141 165 A HN 0.515 nan 8.150 nan 0.000 0.552 166 G N 1.517 110.294 108.800 -0.038 0.000 2.476 166 G HA2 -0.182 3.781 3.960 0.005 0.000 0.218 166 G HA3 -0.182 3.781 3.960 0.005 0.000 0.218 166 G C -0.366 174.492 174.900 -0.069 0.000 1.164 166 G CA 1.463 46.524 45.100 -0.065 0.000 0.768 166 G HN 0.483 nan 8.290 nan 0.000 0.560 167 P HA 0.021 nan 4.420 nan 0.000 0.217 167 P C 0.861 178.142 177.300 -0.032 0.000 1.150 167 P CA 1.403 64.494 63.100 -0.015 0.000 0.832 167 P CB -0.001 31.714 31.700 0.025 0.000 0.787 168 D N -0.542 119.837 120.400 -0.034 0.000 2.084 168 D HA -0.136 4.507 4.640 0.005 0.000 0.194 168 D C 1.880 178.123 176.300 -0.095 0.000 0.990 168 D CA 1.047 55.024 54.000 -0.038 0.000 0.826 168 D CB -0.817 39.972 40.800 -0.018 0.000 0.971 168 D HN 0.150 nan 8.370 nan 0.000 0.453 169 I N 0.883 121.346 120.570 -0.177 0.000 2.226 169 I HA -0.241 3.932 4.170 0.005 0.000 0.245 169 I C 2.410 178.217 176.117 -0.517 0.000 1.100 169 I CA 0.921 61.979 61.300 -0.403 0.000 1.374 169 I CB -0.311 37.372 38.000 -0.528 0.000 1.057 169 I HN -0.013 nan 8.210 nan 0.000 0.413 170 A N 0.564 123.206 122.820 -0.297 0.000 1.902 170 A HA -0.152 4.171 4.320 0.005 0.000 0.217 170 A C 2.473 180.051 177.584 -0.009 0.000 1.181 170 A CA 1.678 53.632 52.037 -0.138 0.000 0.623 170 A CB -0.996 17.976 19.000 -0.047 0.000 0.818 170 A HN 0.219 nan 8.150 nan 0.000 0.443 171 V N 0.011 119.911 119.914 -0.023 0.000 2.252 171 V HA -0.334 3.789 4.120 0.005 0.000 0.249 171 V C 2.624 178.756 176.094 0.062 0.000 1.056 171 V CA 2.320 64.623 62.300 0.005 0.000 1.022 171 V CB -0.620 31.195 31.823 -0.015 0.000 0.641 171 V HN 0.696 nan 8.190 nan 0.000 0.445 172 M N -1.039 118.597 119.600 0.060 0.000 2.159 172 M HA -0.161 4.321 4.480 0.005 0.000 0.263 172 M C 2.143 178.646 176.300 0.339 0.000 1.063 172 M CA 2.155 57.548 55.300 0.155 0.000 1.110 172 M CB -0.600 32.076 32.600 0.127 0.000 1.374 172 M HN 0.330 nan 8.290 nan 0.000 0.411 173 F N 0.618 120.627 119.950 0.098 0.000 2.146 173 F HA -0.020 4.510 4.527 0.005 0.000 0.298 173 F C 2.770 178.660 175.800 0.151 0.000 1.096 173 F CA 1.058 59.130 58.000 0.120 0.000 1.275 173 F CB -1.734 37.316 39.000 0.084 0.000 1.008 173 F HN 0.233 nan 8.300 nan 0.000 0.480 174 A N -0.060 122.974 122.820 0.356 0.000 1.902 174 A HA -0.190 4.133 4.320 0.005 0.000 0.217 174 A C 2.149 179.937 177.584 0.341 0.000 1.181 174 A CA 1.666 53.918 52.037 0.359 0.000 0.623 174 A CB -0.767 18.431 19.000 0.330 0.000 0.818 174 A HN 0.413 nan 8.150 nan 0.000 0.443 175 E N -0.319 120.021 120.200 0.234 0.000 2.106 175 E HA -0.136 4.217 4.350 0.005 0.000 0.192 175 E C 1.193 177.910 176.600 0.195 0.000 0.984 175 E CA 1.118 57.631 56.400 0.189 0.000 0.806 175 E CB -0.028 29.752 29.700 0.132 0.000 0.750 175 E HN 0.509 nan 8.360 nan 0.000 0.458 176 E N -0.531 119.802 120.200 0.221 0.000 2.463 176 E HA 0.080 4.433 4.350 0.005 0.000 0.193 176 E C 0.726 177.440 176.600 0.190 0.000 1.041 176 E CA 0.411 56.937 56.400 0.210 0.000 0.879 176 E CB 0.951 30.792 29.700 0.235 0.000 0.997 176 E HN 0.341 nan 8.360 nan 0.000 0.478 177 G N 1.437 110.348 108.800 0.185 0.000 2.198 177 G HA2 -0.283 3.680 3.960 0.005 0.000 0.257 177 G HA3 -0.283 3.680 3.960 0.005 0.000 0.257 177 G C 0.419 175.405 174.900 0.144 0.000 1.042 177 G CA 0.325 45.513 45.100 0.147 0.000 0.791 177 G HN 0.175 nan 8.290 nan 0.000 0.502 178 V N 0.083 120.081 119.914 0.140 0.000 2.585 178 V HA 0.118 4.241 4.120 0.005 0.000 0.296 178 V C 1.509 177.655 176.094 0.086 0.000 1.035 178 V CA 0.976 63.319 62.300 0.071 0.000 1.084 178 V CB 1.061 32.721 31.823 -0.270 0.000 0.953 178 V HN 0.493 nan 8.190 nan 0.000 0.483 179 N N 2.349 121.118 118.700 0.115 0.000 2.415 179 N HA 0.251 4.993 4.740 0.005 0.000 0.176 179 N C 0.524 176.199 175.510 0.275 0.000 1.042 179 N CA 0.723 53.875 53.050 0.169 0.000 0.902 179 N CB 0.318 38.869 38.487 0.106 0.000 0.986 179 N HN 0.815 nan 8.380 nan 0.000 0.447 180 G N -1.182 107.707 108.800 0.147 0.000 2.698 180 G HA2 0.779 4.742 3.960 0.005 0.000 0.293 180 G HA3 0.779 4.742 3.960 0.005 0.000 0.293 180 G C -1.903 172.604 174.900 -0.655 0.000 1.437 180 G CA -0.293 44.797 45.100 -0.017 0.000 0.852 180 G HN 0.204 nan 8.290 nan 0.000 0.499 181 A N 0.265 122.681 122.820 -0.674 0.000 2.612 181 A HA 0.743 5.066 4.320 0.005 0.000 0.293 181 A C -1.476 175.978 177.584 -0.216 0.000 1.075 181 A CA -0.800 50.829 52.037 -0.680 0.000 0.680 181 A CB 1.057 20.004 19.000 -0.088 0.000 1.279 181 A HN 0.828 nan 8.150 nan 0.000 0.411 182 H N 1.258 120.179 119.070 -0.248 0.000 2.646 182 H HA 0.614 5.173 4.556 0.005 0.000 0.325 182 H C -0.160 175.125 175.328 -0.072 0.000 1.075 182 H CA 0.720 56.690 56.048 -0.129 0.000 1.421 182 H CB 0.965 30.578 29.762 -0.248 0.000 1.461 182 H HN 0.451 nan 8.280 nan 0.000 0.525 183 Q N 2.747 122.565 119.800 0.029 0.000 2.280 183 Q HA 0.218 4.561 4.340 0.005 0.000 0.259 183 Q C -1.902 174.079 176.000 -0.032 0.000 0.964 183 Q CA -0.586 55.221 55.803 0.005 0.000 0.844 183 Q CB 2.053 30.788 28.738 -0.006 0.000 1.334 183 Q HN 0.772 nan 8.270 nan 0.000 0.423 184 D N 5.250 125.622 120.400 -0.048 0.000 2.613 184 D HA 0.267 4.910 4.640 0.005 0.000 0.230 184 D C -2.058 174.127 176.300 -0.193 0.000 1.365 184 D CA -1.325 52.609 54.000 -0.109 0.000 0.976 184 D CB 2.098 42.878 40.800 -0.034 0.000 1.415 184 D HN 0.188 nan 8.370 nan 0.000 0.589 185 P HA -0.120 nan 4.420 nan 0.000 0.222 185 P C 1.089 178.029 177.300 -0.601 0.000 1.147 185 P CA 0.930 63.574 63.100 -0.760 0.000 0.790 185 P CB 0.691 31.395 31.700 -1.661 0.000 0.780 186 Q N -1.195 118.369 119.800 -0.394 0.000 2.124 186 Q HA -0.195 4.148 4.340 0.005 0.000 0.202 186 Q C 2.283 178.235 176.000 -0.080 0.000 0.977 186 Q CA 1.214 56.925 55.803 -0.153 0.000 0.850 186 Q CB -0.756 27.913 28.738 -0.115 0.000 0.901 186 Q HN 0.265 nan 8.270 nan 0.000 0.429 187 Y N 2.272 122.531 120.300 -0.069 0.000 2.128 187 Y HA -0.287 4.266 4.550 0.005 0.000 0.284 187 Y C 1.728 177.641 175.900 0.021 0.000 1.154 187 Y CA 1.731 59.890 58.100 0.099 0.000 1.149 187 Y CB -0.234 38.270 38.460 0.073 0.000 0.976 187 Y HN 0.117 nan 8.280 nan 0.000 0.505 188 N N 0.028 118.650 118.700 -0.130 0.000 2.104 188 N HA -0.179 4.564 4.740 0.005 0.000 0.190 188 N C 1.939 177.291 175.510 -0.264 0.000 1.024 188 N CA 1.853 54.766 53.050 -0.229 0.000 0.853 188 N CB -0.714 37.702 38.487 -0.119 0.000 1.008 188 N HN 0.362 nan 8.380 nan 0.000 0.424 189 V N 1.534 121.321 119.914 -0.211 0.000 2.273 189 V HA -0.081 4.041 4.120 0.005 0.000 0.242 189 V C 2.436 178.365 176.094 -0.275 0.000 1.035 189 V CA 1.067 63.269 62.300 -0.163 0.000 1.013 189 V CB -0.569 31.242 31.823 -0.020 0.000 0.652 189 V HN 0.171 nan 8.190 nan 0.000 0.452 190 L N -1.276 119.685 121.223 -0.437 0.000 2.056 190 L HA -0.161 4.182 4.340 0.005 0.000 0.207 190 L C 2.363 178.773 176.870 -0.767 0.000 1.078 190 L CA 1.880 56.298 54.840 -0.704 0.000 0.749 190 L CB -0.493 40.892 42.059 -1.124 0.000 0.901 190 L HN 0.394 nan 8.230 nan 0.000 0.433 191 Y N -2.094 118.022 120.300 -0.306 0.000 2.462 191 Y HA 0.186 4.739 4.550 0.005 0.000 0.253 191 Y C 2.179 177.877 175.900 -0.336 0.000 1.095 191 Y CA -0.193 57.719 58.100 -0.314 0.000 1.283 191 Y CB 0.245 38.498 38.460 -0.346 0.000 1.138 191 Y HN -0.089 nan 8.280 nan 0.000 0.522 192 R N 0.172 120.480 120.500 -0.321 0.000 2.476 192 R HA 0.125 4.468 4.340 0.005 0.000 0.276 192 R C 0.011 176.273 176.300 -0.063 0.000 0.941 192 R CA 0.000 55.980 56.100 -0.201 0.000 1.088 192 R CB -0.262 29.826 30.300 -0.354 0.000 1.216 192 R HN 0.194 nan 8.270 nan 0.000 0.533 193 N N 1.276 119.911 118.700 -0.108 0.000 2.727 193 N HA -0.200 4.542 4.740 0.005 0.000 0.249 193 N C -0.843 174.653 175.510 -0.023 0.000 1.048 193 N CA 0.386 53.399 53.050 -0.061 0.000 0.714 193 N CB -1.421 37.051 38.487 -0.025 0.000 0.959 193 N HN 0.279 nan 8.380 nan 0.000 0.544 194 I N 0.550 121.089 120.570 -0.053 0.000 2.472 194 I HA 0.075 4.248 4.170 0.005 0.000 0.290 194 I C 1.298 177.388 176.117 -0.044 0.000 1.016 194 I CA -0.613 60.670 61.300 -0.028 0.000 1.348 194 I CB 0.749 38.721 38.000 -0.047 0.000 1.417 194 I HN 0.253 nan 8.210 nan 0.000 0.521 195 N N 6.647 125.326 118.700 -0.035 0.000 2.357 195 N HA -0.056 4.687 4.740 0.005 0.000 0.257 195 N C 1.053 176.530 175.510 -0.055 0.000 1.250 195 N CA 0.008 53.021 53.050 -0.062 0.000 0.862 195 N CB 0.783 39.233 38.487 -0.062 0.000 1.066 195 N HN 0.702 nan 8.380 nan 0.000 0.468 196 M N 3.920 123.457 119.600 -0.105 0.000 2.175 196 M HA -0.101 4.382 4.480 0.005 0.000 0.264 196 M C 1.407 177.725 176.300 0.029 0.000 1.063 196 M CA 1.403 56.696 55.300 -0.012 0.000 1.119 196 M CB -0.215 32.312 32.600 -0.121 0.000 1.377 196 M HN 0.451 nan 8.290 nan 0.000 0.415 197 I N 0.591 121.029 120.570 -0.221 0.000 2.202 197 I HA -0.197 3.976 4.170 0.005 0.000 0.242 197 I C 2.835 179.025 176.117 0.122 0.000 1.091 197 I CA 1.447 62.732 61.300 -0.024 0.000 1.368 197 I CB -0.659 37.275 38.000 -0.110 0.000 1.058 197 I HN 0.345 nan 8.210 nan 0.000 0.410 198 R N 1.323 121.851 120.500 0.046 0.000 2.091 198 R HA -0.175 4.167 4.340 0.005 0.000 0.238 198 R C 2.436 178.777 176.300 0.067 0.000 1.136 198 R CA 2.151 58.286 56.100 0.059 0.000 0.959 198 R CB -0.789 29.527 30.300 0.026 0.000 0.856 198 R HN 0.229 nan 8.270 nan 0.000 0.437 199 S N -0.933 114.797 115.700 0.050 0.000 2.359 199 S HA -0.120 4.353 4.470 0.005 0.000 0.224 199 S C 1.686 176.207 174.600 -0.131 0.000 1.035 199 S CA 1.448 59.611 58.200 -0.062 0.000 1.018 199 S CB -0.375 62.745 63.200 -0.133 0.000 0.876 199 S HN 0.434 nan 8.310 nan 0.000 0.448 200 F N 1.100 121.056 119.950 0.009 0.000 2.259 200 F HA 0.216 4.746 4.527 0.005 0.000 0.298 200 F C 2.026 177.880 175.800 0.089 0.000 1.088 200 F CA 0.613 58.605 58.000 -0.015 0.000 1.358 200 F CB -0.279 38.736 39.000 0.025 0.000 1.040 200 F HN 0.214 nan 8.300 nan 0.000 0.505 201 I N -0.248 120.472 120.570 0.250 0.000 2.252 201 I HA -0.262 3.911 4.170 0.005 0.000 0.245 201 I C 1.908 178.079 176.117 0.091 0.000 1.102 201 I CA 1.217 62.621 61.300 0.174 0.000 1.385 201 I CB -0.402 37.697 38.000 0.164 0.000 1.064 201 I HN -0.011 nan 8.210 nan 0.000 0.414 202 D N 1.123 121.560 120.400 0.062 0.000 2.123 202 D HA -0.162 4.481 4.640 0.005 0.000 0.196 202 D C 2.253 178.544 176.300 -0.015 0.000 0.992 202 D CA 1.551 55.565 54.000 0.023 0.000 0.833 202 D CB -0.198 40.606 40.800 0.007 0.000 0.954 202 D HN 0.334 nan 8.370 nan 0.000 0.455 203 A N 0.187 122.980 122.820 -0.045 0.000 1.933 203 A HA -0.205 4.118 4.320 0.005 0.000 0.218 203 A C 2.516 180.112 177.584 0.020 0.000 1.175 203 A CA 1.341 53.346 52.037 -0.054 0.000 0.628 203 A CB -0.990 17.872 19.000 -0.229 0.000 0.814 203 A HN 0.362 nan 8.150 nan 0.000 0.444 204 C N -1.059 118.224 119.300 -0.028 0.000 2.398 204 C HA -0.122 4.341 4.460 0.005 0.000 0.276 204 C C 2.720 177.495 174.990 -0.358 0.000 1.222 204 C CA 1.587 60.319 59.018 -0.478 0.000 1.746 204 C CB -1.052 26.137 27.740 -0.920 0.000 2.039 204 C HN 0.798 nan 8.230 nan 0.000 0.470 205 E N 1.056 121.175 120.200 -0.135 0.000 2.028 205 E HA -0.108 4.245 4.350 0.005 0.000 0.190 205 E C 2.239 178.840 176.600 0.001 0.000 0.984 205 E CA 1.616 58.001 56.400 -0.025 0.000 0.800 205 E CB -0.238 29.470 29.700 0.014 0.000 0.758 205 E HN 0.504 nan 8.360 nan 0.000 0.448 206 S N 0.590 116.285 115.700 -0.008 0.000 2.372 206 S HA -0.219 4.254 4.470 0.005 0.000 0.227 206 S C 1.800 176.414 174.600 0.024 0.000 1.044 206 S CA 1.682 59.881 58.200 -0.000 0.000 1.050 206 S CB -0.294 62.893 63.200 -0.022 0.000 0.901 206 S HN 0.260 nan 8.310 nan 0.000 0.447 207 K N 0.287 120.697 120.400 0.017 0.000 2.155 207 K HA -0.003 4.320 4.320 0.005 0.000 0.203 207 K C 2.290 178.929 176.600 0.066 0.000 1.052 207 K CA 1.327 57.639 56.287 0.041 0.000 0.948 207 K CB -0.375 32.153 32.500 0.047 0.000 0.728 207 K HN 0.290 nan 8.250 nan 0.000 0.448 208 T N 1.807 116.396 114.554 0.060 0.000 2.746 208 T HA -0.086 4.267 4.350 0.005 0.000 0.267 208 T C 1.903 176.702 174.700 0.165 0.000 1.039 208 T CA 1.067 63.243 62.100 0.128 0.000 1.142 208 T CB -0.128 68.838 68.868 0.163 0.000 0.866 208 T HN 0.126 nan 8.240 nan 0.000 0.444 209 I N 0.558 121.207 120.570 0.132 0.000 2.252 209 I HA -0.137 4.036 4.170 0.005 0.000 0.245 209 I C 2.498 178.760 176.117 0.241 0.000 1.102 209 I CA 1.208 62.602 61.300 0.156 0.000 1.385 209 I CB -0.328 37.719 38.000 0.079 0.000 1.064 209 I HN 0.230 nan 8.210 nan 0.000 0.414 210 M N 0.187 119.891 119.600 0.173 0.000 2.117 210 M HA -0.205 4.278 4.480 0.005 0.000 0.262 210 M C 2.533 178.936 176.300 0.171 0.000 1.065 210 M CA 1.995 57.396 55.300 0.167 0.000 1.114 210 M CB -0.480 32.182 32.600 0.103 0.000 1.361 210 M HN 0.329 nan 8.290 nan 0.000 0.408 211 A N -0.561 122.357 122.820 0.162 0.000 1.902 211 A HA -0.229 4.094 4.320 0.005 0.000 0.217 211 A C 1.858 179.547 177.584 0.175 0.000 1.181 211 A CA 1.429 53.552 52.037 0.143 0.000 0.623 211 A CB -1.275 17.803 19.000 0.130 0.000 0.818 211 A HN 0.782 nan 8.150 nan 0.000 0.443 212 W N 0.693 122.031 121.300 0.063 0.000 2.338 212 W HA -0.110 4.553 4.660 0.005 0.000 0.304 212 W C 2.080 178.637 176.519 0.063 0.000 1.212 212 W CA 2.057 59.439 57.345 0.063 0.000 1.264 212 W CB -0.012 29.488 29.460 0.067 0.000 1.142 212 W HN 0.306 nan 8.180 nan 0.000 0.512 213 A N 0.211 123.224 122.820 0.322 0.000 2.235 213 A HA 0.005 4.328 4.320 0.005 0.000 0.208 213 A C 0.774 178.356 177.584 -0.003 0.000 1.172 213 A CA 1.144 53.261 52.037 0.134 0.000 0.786 213 A CB -0.929 18.283 19.000 0.354 0.000 0.804 213 A HN 0.421 nan 8.150 nan 0.000 0.479 214 D N -1.669 118.725 120.400 -0.011 0.000 2.708 214 D HA -0.178 4.465 4.640 0.005 0.000 0.236 214 D C -0.027 176.312 176.300 0.065 0.000 1.146 214 D CA 0.994 55.001 54.000 0.012 0.000 0.662 214 D CB -1.654 39.130 40.800 -0.027 0.000 1.059 214 D HN 0.575 nan 8.370 nan 0.000 0.428 215 M N 0.176 119.820 119.600 0.074 0.000 2.288 215 M HA 0.498 4.981 4.480 0.005 0.000 0.334 215 M C 0.931 177.211 176.300 -0.033 0.000 1.150 215 M CA -0.221 55.118 55.300 0.066 0.000 1.118 215 M CB 1.415 34.059 32.600 0.073 0.000 1.501 215 M HN 0.185 nan 8.290 nan 0.000 0.462 216 A N 2.290 125.003 122.820 -0.178 0.000 2.354 216 A HA 0.319 4.642 4.320 0.005 0.000 0.269 216 A C -0.559 176.854 177.584 -0.284 0.000 1.109 216 A CA -0.383 51.373 52.037 -0.468 0.000 0.800 216 A CB 0.496 18.620 19.000 -1.459 0.000 1.045 216 A HN 0.795 nan 8.150 nan 0.000 0.489 217 Q N 1.882 121.561 119.800 -0.201 0.000 2.316 217 Q HA 0.629 4.972 4.340 0.005 0.000 0.264 217 Q C -1.543 174.365 176.000 -0.153 0.000 0.987 217 Q CA -0.439 55.286 55.803 -0.129 0.000 0.852 217 Q CB 1.083 29.790 28.738 -0.052 0.000 1.287 217 Q HN 0.717 nan 8.270 nan 0.000 0.448 218 I N 3.731 124.183 120.570 -0.197 0.000 2.377 218 I HA 0.218 4.391 4.170 0.005 0.000 0.293 218 I C -0.067 175.889 176.117 -0.269 0.000 0.987 218 I CA -0.848 60.269 61.300 -0.304 0.000 1.185 218 I CB 1.494 39.141 38.000 -0.589 0.000 1.341 218 I HN 0.748 nan 8.210 nan 0.000 0.455 224 A N 1.323 124.017 122.820 -0.210 0.000 2.024 224 A HA -0.069 4.254 4.320 0.005 0.000 0.220 224 A C 2.071 179.552 177.584 -0.172 0.000 1.164 224 A CA 1.970 53.866 52.037 -0.236 0.000 0.643 224 A CB -0.906 17.750 19.000 -0.574 0.000 0.806 224 A HN 0.754 nan 8.150 nan 0.000 0.451 225 H N -0.212 118.862 119.070 0.006 0.000 2.460 225 H HA -0.127 4.432 4.556 0.005 0.000 0.297 225 H C 1.295 176.584 175.328 -0.065 0.000 1.103 225 H CA 1.307 57.358 56.048 0.005 0.000 1.292 225 H CB -0.707 29.074 29.762 0.032 0.000 1.376 225 H HN 0.499 nan 8.280 nan 0.000 0.531 226 N N 1.355 119.786 118.700 -0.450 0.000 2.289 226 N HA -0.056 4.687 4.740 0.005 0.000 0.184 226 N C 2.100 177.392 175.510 -0.363 0.000 1.016 226 N CA 1.176 53.920 53.050 -0.510 0.000 0.872 226 N CB -0.104 37.762 38.487 -1.035 0.000 0.973 226 N HN 0.537 nan 8.380 nan 0.000 0.433 227 A N 1.431 124.169 122.820 -0.137 0.000 1.968 227 A HA -0.094 4.229 4.320 0.005 0.000 0.217 227 A C 1.999 179.590 177.584 0.011 0.000 1.169 227 A CA 1.132 53.196 52.037 0.045 0.000 0.638 227 A CB -0.459 18.604 19.000 0.105 0.000 0.812 227 A HN 0.244 nan 8.150 nan 0.000 0.446 228 N N 0.786 119.481 118.700 -0.008 0.000 2.069 228 N HA -0.125 4.618 4.740 0.005 0.000 0.191 228 N C 1.771 177.251 175.510 -0.050 0.000 1.031 228 N CA 1.840 54.885 53.050 -0.008 0.000 0.852 228 N CB -0.373 38.130 38.487 0.027 0.000 1.018 228 N HN 0.474 nan 8.380 nan 0.000 0.423 229 A N -0.199 122.583 122.820 -0.064 0.000 1.968 229 A HA -0.079 4.244 4.320 0.005 0.000 0.217 229 A C 2.130 179.676 177.584 -0.063 0.000 1.169 229 A CA 1.837 53.824 52.037 -0.083 0.000 0.638 229 A CB -0.882 18.070 19.000 -0.081 0.000 0.812 229 A HN 0.490 nan 8.150 nan 0.000 0.446 230 T N -2.768 111.770 114.554 -0.026 0.000 3.081 230 T HA 0.531 4.884 4.350 0.005 0.000 0.250 230 T C 0.822 175.540 174.700 0.029 0.000 1.100 230 T CA 0.413 62.533 62.100 0.034 0.000 1.038 230 T CB -0.374 68.582 68.868 0.146 0.000 0.962 230 T HN 0.561 nan 8.240 nan 0.000 0.516 231 A N 1.952 124.773 122.820 0.003 0.000 2.462 231 A HA 0.454 4.777 4.320 0.005 0.000 0.243 231 A C 1.547 179.102 177.584 -0.049 0.000 1.076 231 A CA -0.629 51.395 52.037 -0.021 0.000 0.773 231 A CB 0.411 19.385 19.000 -0.044 0.000 1.010 231 A HN 0.182 nan 8.150 nan 0.000 0.493 232 R N 0.792 121.253 120.500 -0.065 0.000 2.066 232 R HA -0.042 4.300 4.340 0.005 0.000 0.232 232 R C -0.217 176.010 176.300 -0.121 0.000 1.131 232 R CA 1.360 57.419 56.100 -0.069 0.000 0.955 232 R CB -0.336 29.922 30.300 -0.069 0.000 0.851 232 R HN 0.853 nan 8.270 nan 0.000 0.432 233 E N -0.741 119.277 120.200 -0.304 0.000 2.235 233 E HA 0.346 4.698 4.350 0.005 0.000 0.252 233 E C -0.137 176.122 176.600 -0.568 0.000 0.886 233 E CA -0.141 55.841 56.400 -0.696 0.000 0.767 233 E CB 1.858 30.674 29.700 -1.473 0.000 1.205 233 E HN 0.098 nan 8.360 nan 0.000 0.421 234 A N 3.246 126.020 122.820 -0.076 0.000 2.019 234 A HA -0.148 4.175 4.320 0.005 0.000 0.219 234 A C 1.491 179.098 177.584 0.038 0.000 1.164 234 A CA 1.028 53.098 52.037 0.055 0.000 0.644 234 A CB -0.718 18.433 19.000 0.252 0.000 0.805 234 A HN 0.906 nan 8.150 nan 0.000 0.449 235 W N -0.581 120.730 121.300 0.017 0.000 2.961 235 W HA 0.188 4.851 4.660 0.005 0.000 0.240 235 W C 1.004 177.407 176.519 -0.194 0.000 1.305 235 W CA 0.786 58.081 57.345 -0.083 0.000 1.465 235 W CB 0.002 29.410 29.460 -0.087 0.000 1.135 235 W HN 0.125 nan 8.180 nan 0.000 0.688 236 K N 0.145 120.287 120.400 -0.430 0.000 2.373 236 K HA 0.095 4.418 4.320 0.005 0.000 0.200 236 K C 1.485 178.074 176.600 -0.018 0.000 1.054 236 K CA 0.091 56.167 56.287 -0.351 0.000 1.065 236 K CB 0.713 32.979 32.500 -0.390 0.000 0.886 236 K HN 0.130 nan 8.250 nan 0.000 0.546 237 V N 1.395 121.279 119.914 -0.051 0.000 3.541 237 V HA -0.047 4.076 4.120 0.005 0.000 0.267 237 V C 1.554 177.668 176.094 0.034 0.000 1.213 237 V CA 0.740 63.057 62.300 0.029 0.000 1.149 237 V CB -0.324 31.499 31.823 -0.000 0.000 0.822 237 V HN 0.286 nan 8.190 nan 0.000 0.462 238 M N 0.838 120.415 119.600 -0.038 0.000 2.106 238 M HA -0.138 4.345 4.480 0.005 0.000 0.259 238 M C -0.171 176.202 176.300 0.121 0.000 1.068 238 M CA 2.430 57.631 55.300 -0.166 0.000 1.100 238 M CB -1.791 30.627 32.600 -0.302 0.000 1.351 238 M HN 0.282 nan 8.290 nan 0.000 0.404 239 P HA -0.171 nan 4.420 nan 0.000 0.216 239 P C 1.229 178.636 177.300 0.178 0.000 1.153 239 P CA 1.249 64.516 63.100 0.278 0.000 0.848 239 P CB -0.124 31.793 31.700 0.362 0.000 0.787 240 E N -0.265 120.044 120.200 0.182 0.000 2.110 240 E HA -0.159 4.194 4.350 0.005 0.000 0.193 240 E C 1.928 178.529 176.600 0.001 0.000 0.988 240 E CA 0.810 57.219 56.400 0.014 0.000 0.804 240 E CB -0.525 29.284 29.700 0.182 0.000 0.745 240 E HN 0.134 nan 8.360 nan 0.000 0.458 241 L N 0.125 121.376 121.223 0.047 0.000 2.012 241 L HA -0.243 4.100 4.340 0.005 0.000 0.210 241 L C 2.731 179.628 176.870 0.044 0.000 1.073 241 L CA 1.352 56.193 54.840 0.000 0.000 0.748 241 L CB -0.321 41.791 42.059 0.088 0.000 0.891 241 L HN 0.307 nan 8.230 nan 0.000 0.431 242 M N -1.391 118.347 119.600 0.231 0.000 2.175 242 M HA -0.169 4.314 4.480 0.005 0.000 0.264 242 M C 2.243 178.695 176.300 0.254 0.000 1.063 242 M CA 1.197 56.703 55.300 0.344 0.000 1.119 242 M CB -0.290 32.539 32.600 0.383 0.000 1.377 242 M HN 0.086 nan 8.290 nan 0.000 0.415 243 V N 0.297 120.248 119.914 0.062 0.000 2.307 243 V HA -0.258 3.865 4.120 0.005 0.000 0.245 243 V C 2.307 178.428 176.094 0.046 0.000 1.045 243 V CA 1.713 64.003 62.300 -0.017 0.000 1.024 243 V CB -0.775 30.837 31.823 -0.352 0.000 0.651 243 V HN 0.501 nan 8.190 nan 0.000 0.449 244 Q N -0.921 118.882 119.800 0.005 0.000 2.061 244 Q HA -0.236 4.107 4.340 0.005 0.000 0.204 244 Q C 2.327 178.305 176.000 -0.037 0.000 0.984 244 Q CA 1.818 57.599 55.803 -0.038 0.000 0.846 244 Q CB -0.307 28.370 28.738 -0.103 0.000 0.902 244 Q HN 0.706 nan 8.270 nan 0.000 0.421 245 H N -0.103 118.976 119.070 0.015 0.000 2.352 245 H HA -0.092 4.466 4.556 0.005 0.000 0.299 245 H C 2.054 177.446 175.328 0.107 0.000 1.097 245 H CA 1.521 57.527 56.048 -0.070 0.000 1.311 245 H CB -0.325 29.211 29.762 -0.377 0.000 1.377 245 H HN 0.331 nan 8.280 nan 0.000 0.504 246 A N 1.103 124.171 122.820 0.413 0.000 1.902 246 A HA -0.093 4.230 4.320 0.005 0.000 0.217 246 A C 2.777 180.447 177.584 0.144 0.000 1.181 246 A CA 1.093 53.324 52.037 0.322 0.000 0.623 246 A CB -0.817 18.300 19.000 0.196 0.000 0.818 246 A HN 0.272 nan 8.150 nan 0.000 0.443 247 L N -0.729 120.552 121.223 0.098 0.000 2.027 247 L HA -0.185 4.158 4.340 0.005 0.000 0.206 247 L C 2.531 179.441 176.870 0.068 0.000 1.074 247 L CA 1.784 56.652 54.840 0.046 0.000 0.745 247 L CB -0.662 41.372 42.059 -0.041 0.000 0.898 247 L HN 0.508 nan 8.230 nan 0.000 0.433 248 N N -0.304 118.417 118.700 0.035 0.000 2.188 248 N HA -0.145 4.598 4.740 0.005 0.000 0.184 248 N C 1.898 177.481 175.510 0.122 0.000 1.018 248 N CA 1.424 54.498 53.050 0.039 0.000 0.858 248 N CB 0.103 38.581 38.487 -0.016 0.000 0.989 248 N HN 0.103 nan 8.380 nan 0.000 0.426 249 S N 0.137 115.886 115.700 0.082 0.000 2.348 249 S HA -0.120 4.353 4.470 0.005 0.000 0.221 249 S C 1.855 176.558 174.600 0.173 0.000 1.033 249 S CA 1.113 59.333 58.200 0.034 0.000 1.010 249 S CB -0.396 62.622 63.200 -0.303 0.000 0.891 249 S HN 0.404 nan 8.310 nan 0.000 0.442 250 I N 0.864 121.527 120.570 0.155 0.000 2.439 250 I HA -0.037 4.136 4.170 0.005 0.000 0.251 250 I C 1.825 178.045 176.117 0.171 0.000 1.139 250 I CA 0.824 62.228 61.300 0.172 0.000 1.438 250 I CB -0.352 37.716 38.000 0.114 0.000 1.085 250 I HN 0.245 nan 8.210 nan 0.000 0.427 251 F N 0.637 120.612 119.950 0.042 0.000 2.069 251 F HA -0.287 4.243 4.527 0.005 0.000 0.298 251 F C 2.615 178.433 175.800 0.030 0.000 1.113 251 F CA 2.197 60.212 58.000 0.027 0.000 1.214 251 F CB -0.451 38.563 39.000 0.022 0.000 0.978 251 F HN 0.033 nan 8.300 nan 0.000 0.474 252 S N 0.559 116.427 115.700 0.279 0.000 2.368 252 S HA -0.189 4.284 4.470 0.005 0.000 0.225 252 S C 1.831 176.492 174.600 0.102 0.000 1.030 252 S CA 1.298 59.605 58.200 0.178 0.000 0.999 252 S CB -0.671 62.640 63.200 0.185 0.000 0.844 252 S HN 0.387 nan 8.310 nan 0.000 0.459 253 L N 1.926 123.234 121.223 0.141 0.000 2.017 253 L HA -0.050 4.293 4.340 0.005 0.000 0.208 253 L C 1.944 178.840 176.870 0.043 0.000 1.073 253 L CA 1.830 56.736 54.840 0.109 0.000 0.745 253 L CB -0.421 41.731 42.059 0.155 0.000 0.894 253 L HN 0.110 nan 8.230 nan 0.000 0.432 254 K N -1.313 119.091 120.400 0.006 0.000 2.217 254 K HA -0.048 4.275 4.320 0.005 0.000 0.202 254 K C 1.928 178.513 176.600 -0.025 0.000 1.051 254 K CA 1.095 57.368 56.287 -0.024 0.000 0.952 254 K CB -0.149 32.319 32.500 -0.053 0.000 0.736 254 K HN 0.237 nan 8.250 nan 0.000 0.453 255 V N 0.301 120.154 119.914 -0.101 0.000 2.407 255 V HA -0.144 3.979 4.120 0.005 0.000 0.248 255 V C 1.515 177.664 176.094 0.093 0.000 1.055 255 V CA 1.993 64.274 62.300 -0.032 0.000 1.049 255 V CB -0.253 31.450 31.823 -0.200 0.000 0.662 255 V HN 0.693 nan 8.190 nan 0.000 0.455 256 G N -1.622 107.213 108.800 0.059 0.000 2.200 256 G HA2 -0.144 3.819 3.960 0.005 0.000 0.145 256 G HA3 -0.144 3.819 3.960 0.005 0.000 0.145 256 G C 0.002 174.942 174.900 0.067 0.000 1.021 256 G CA -0.225 44.918 45.100 0.071 0.000 0.720 256 G HN 0.294 nan 8.290 nan 0.000 0.494 257 M N 1.144 120.784 119.600 0.066 0.000 2.243 257 M HA 0.293 4.776 4.480 0.005 0.000 0.341 257 M C 0.705 177.036 176.300 0.053 0.000 1.130 257 M CA 0.298 55.639 55.300 0.068 0.000 1.162 257 M CB 0.622 33.269 32.600 0.079 0.000 1.497 257 M HN 0.033 nan 8.290 nan 0.000 0.456 258 K N 2.165 122.591 120.400 0.043 0.000 2.350 258 K HA 0.042 4.365 4.320 0.005 0.000 0.279 258 K C 0.658 177.260 176.600 0.003 0.000 1.027 258 K CA -0.083 56.214 56.287 0.017 0.000 0.969 258 K CB 0.788 33.304 32.500 0.025 0.000 0.954 258 K HN 0.523 nan 8.250 nan 0.000 0.474 259 K N 1.135 121.491 120.400 -0.073 0.000 2.113 259 K HA -0.197 4.126 4.320 0.005 0.000 0.208 259 K C 1.787 178.330 176.600 -0.096 0.000 1.047 259 K CA 2.073 58.245 56.287 -0.192 0.000 0.928 259 K CB -0.000 32.257 32.500 -0.405 0.000 0.716 259 K HN 0.676 nan 8.250 nan 0.000 0.446 260 S N -0.074 115.591 115.700 -0.058 0.000 2.603 260 S HA 0.015 4.488 4.470 0.005 0.000 0.229 260 S C 1.107 175.767 174.600 0.100 0.000 0.972 260 S CA 0.546 58.730 58.200 -0.026 0.000 0.935 260 S CB 0.039 63.218 63.200 -0.036 0.000 0.769 260 S HN 0.225 nan 8.310 nan 0.000 0.536 261 N N 0.709 119.461 118.700 0.087 0.000 2.205 261 N HA 0.373 5.115 4.740 0.005 0.000 0.201 261 N C -0.535 174.994 175.510 0.031 0.000 1.128 261 N CA 0.008 53.098 53.050 0.066 0.000 0.867 261 N CB 0.422 38.932 38.487 0.040 0.000 0.996 261 N HN 0.473 nan 8.380 nan 0.000 0.503 262 I N 1.492 122.121 120.570 0.098 0.000 2.291 262 I HA 0.180 4.353 4.170 0.005 0.000 0.292 262 I C -0.336 175.858 176.117 0.128 0.000 1.064 262 I CA -0.349 61.041 61.300 0.150 0.000 1.269 262 I CB 0.527 38.727 38.000 0.335 0.000 1.418 262 I HN -0.129 nan 8.210 nan 0.000 0.485 263 C N 7.219 126.526 119.300 0.012 0.000 2.281 263 C HA 0.502 4.965 4.460 0.005 0.000 0.325 263 C C 0.133 175.073 174.990 -0.083 0.000 1.282 263 C CA -0.845 58.152 59.018 -0.035 0.000 1.640 263 C CB 0.393 28.081 27.740 -0.086 0.000 2.288 263 C HN 0.463 nan 8.230 nan 0.000 0.507 264 L N 2.906 124.036 121.223 -0.155 0.000 2.331 264 L HA 0.306 4.649 4.340 0.005 0.000 0.278 264 L C 0.844 177.634 176.870 -0.133 0.000 1.106 264 L CA 0.746 55.424 54.840 -0.269 0.000 0.824 264 L CB 0.873 42.481 42.059 -0.751 0.000 1.142 264 L HN 0.737 nan 8.230 nan 0.000 0.443 265 S N 1.880 117.627 115.700 0.080 0.000 2.409 265 S HA 0.333 4.806 4.470 0.005 0.000 0.308 265 S C -0.074 174.670 174.600 0.239 0.000 1.080 265 S CA -0.385 57.904 58.200 0.148 0.000 1.081 265 S CB -0.113 63.271 63.200 0.306 0.000 1.009 265 S HN 0.661 nan 8.310 nan 0.000 0.502 266 T N 5.251 119.870 114.554 0.109 0.000 2.833 266 T HA 0.534 4.887 4.350 0.005 0.000 0.297 266 T C -0.955 173.835 174.700 0.149 0.000 1.015 266 T CA -0.484 61.709 62.100 0.156 0.000 0.963 266 T CB 0.479 69.351 68.868 0.006 0.000 0.955 266 T HN 0.349 nan 8.240 nan 0.000 0.449 267 V N 8.696 128.732 119.914 0.204 0.000 2.370 267 V HA 0.419 4.542 4.120 0.005 0.000 0.283 267 V C -2.160 174.060 176.094 0.210 0.000 1.023 267 V CA -2.179 60.220 62.300 0.166 0.000 0.857 267 V CB 1.434 33.343 31.823 0.143 0.000 0.985 267 V HN 0.756 nan 8.190 nan 0.000 0.443 268 P HA 0.117 nan 4.420 nan 0.000 0.260 268 P C -2.134 175.292 177.300 0.211 0.000 1.185 268 P CA -0.806 62.423 63.100 0.214 0.000 0.763 268 P CB 0.222 32.023 31.700 0.168 0.000 0.776 269 P HA -0.102 nan 4.420 nan 0.000 0.220 269 P C 0.441 177.950 177.300 0.348 0.000 1.148 269 P CA 1.476 64.707 63.100 0.219 0.000 0.803 269 P CB 0.089 31.876 31.700 0.145 0.000 0.782 270 T N -4.393 110.326 114.554 0.275 0.000 2.858 270 T HA 0.821 5.174 4.350 0.005 0.000 0.285 270 T C -0.896 173.891 174.700 0.145 0.000 1.052 270 T CA -0.962 61.270 62.100 0.220 0.000 1.009 270 T CB 2.223 71.113 68.868 0.037 0.000 1.241 270 T HN -0.026 nan 8.240 nan 0.000 0.542 271 A N 0.583 123.402 122.820 -0.000 0.000 2.587 271 A HA 0.863 5.186 4.320 0.005 0.000 0.293 271 A C -3.168 174.361 177.584 -0.093 0.000 1.087 271 A CA -1.932 50.110 52.037 0.008 0.000 0.692 271 A CB 0.756 19.814 19.000 0.098 0.000 1.291 271 A HN 0.669 nan 8.150 nan 0.000 0.407 272 P HA 0.182 nan 4.420 nan 0.000 0.267 272 P C -1.827 175.418 177.300 -0.092 0.000 1.200 272 P CA -0.599 62.453 63.100 -0.081 0.000 0.772 272 P CB 0.140 31.810 31.700 -0.049 0.000 0.855 273 P HA 0.071 nan 4.420 nan 0.000 0.249 273 P C 0.077 177.281 177.300 -0.159 0.000 1.241 273 P CA 0.240 63.272 63.100 -0.113 0.000 0.781 273 P CB 0.006 31.647 31.700 -0.098 0.000 1.088 274 A N 2.725 125.416 122.820 -0.216 0.000 2.425 274 A HA 0.312 4.635 4.320 0.005 0.000 0.242 274 A C -1.859 175.617 177.584 -0.178 0.000 1.077 274 A CA -1.135 50.740 52.037 -0.271 0.000 0.781 274 A CB -0.695 18.079 19.000 -0.378 0.000 1.020 274 A HN 0.053 nan 8.150 nan 0.000 0.494 275 P HA 0.060 nan 4.420 nan 0.000 0.249 275 P C 0.628 177.914 177.300 -0.024 0.000 1.737 275 P CA 0.267 63.309 63.100 -0.096 0.000 1.128 275 P CB -0.006 31.614 31.700 -0.134 0.000 1.942 276 S N 2.159 117.847 115.700 -0.020 0.000 2.387 276 S HA -0.118 4.354 4.470 0.005 0.000 0.226 276 S C 1.857 176.498 174.600 0.069 0.000 1.026 276 S CA 0.593 58.801 58.200 0.014 0.000 0.972 276 S CB -0.661 62.547 63.200 0.013 0.000 0.814 276 S HN 0.060 nan 8.310 nan 0.000 0.477 277 M N 0.465 120.112 119.600 0.077 0.000 2.117 277 M HA 0.010 4.493 4.480 0.005 0.000 0.262 277 M C 2.112 178.482 176.300 0.117 0.000 1.065 277 M CA 1.467 56.822 55.300 0.091 0.000 1.114 277 M CB -1.375 31.274 32.600 0.082 0.000 1.361 277 M HN 0.474 nan 8.290 nan 0.000 0.408 278 Y N 0.759 121.060 120.300 0.003 0.000 2.242 278 Y HA -0.121 4.431 4.550 0.005 0.000 0.291 278 Y C 2.169 178.080 175.900 0.018 0.000 1.137 278 Y CA 1.406 59.509 58.100 0.005 0.000 1.181 278 Y CB -0.112 38.336 38.460 -0.019 0.000 0.989 278 Y HN 0.079 nan 8.280 nan 0.000 0.527 279 L N -0.588 120.734 121.223 0.165 0.000 2.156 279 L HA -0.149 4.194 4.340 0.005 0.000 0.208 279 L C 1.397 178.334 176.870 0.111 0.000 1.095 279 L CA 1.240 56.145 54.840 0.107 0.000 0.770 279 L CB -0.259 41.835 42.059 0.057 0.000 0.914 279 L HN 0.152 nan 8.230 nan 0.000 0.439 280 D N -0.928 119.544 120.400 0.120 0.000 2.338 280 D HA -0.038 4.605 4.640 0.005 0.000 0.208 280 D C 1.948 178.346 176.300 0.162 0.000 0.997 280 D CA 0.275 54.380 54.000 0.176 0.000 0.880 280 D CB 0.231 41.134 40.800 0.171 0.000 0.980 280 D HN 0.050 nan 8.370 nan 0.000 0.509 281 L N 1.469 122.741 121.223 0.082 0.000 2.046 281 L HA -0.004 4.339 4.340 0.005 0.000 0.208 281 L C -1.016 175.874 176.870 0.033 0.000 1.077 281 L CA 1.956 56.821 54.840 0.042 0.000 0.747 281 L CB -1.268 40.795 42.059 0.006 0.000 0.896 281 L HN -0.075 nan 8.230 nan 0.000 0.432 282 P HA -0.216 nan 4.420 nan 0.000 0.216 282 P C 1.235 178.606 177.300 0.119 0.000 1.150 282 P CA 1.375 64.500 63.100 0.042 0.000 0.837 282 P CB -0.254 31.459 31.700 0.022 0.000 0.786 283 Y N 0.971 121.303 120.300 0.054 0.000 2.163 283 Y HA -0.120 4.433 4.550 0.005 0.000 0.288 283 Y C 2.363 178.306 175.900 0.071 0.000 1.136 283 Y CA 1.388 59.539 58.100 0.084 0.000 1.147 283 Y CB -1.163 37.360 38.460 0.105 0.000 0.987 283 Y HN -0.122 nan 8.280 nan 0.000 0.509 284 A N -0.448 122.301 122.820 -0.119 0.000 1.908 284 A HA -0.174 4.149 4.320 0.005 0.000 0.218 284 A C 2.376 179.864 177.584 -0.160 0.000 1.181 284 A CA 2.291 54.211 52.037 -0.195 0.000 0.627 284 A CB -1.360 17.615 19.000 -0.042 0.000 0.818 284 A HN 0.349 nan 8.150 nan 0.000 0.445 285 V N -0.324 119.545 119.914 -0.074 0.000 2.307 285 V HA -0.198 3.925 4.120 0.005 0.000 0.245 285 V C 3.067 179.141 176.094 -0.034 0.000 1.045 285 V CA 1.821 64.097 62.300 -0.040 0.000 1.024 285 V CB -1.227 30.589 31.823 -0.012 0.000 0.651 285 V HN 0.621 nan 8.190 nan 0.000 0.449 286 A N -0.360 122.446 122.820 -0.024 0.000 1.940 286 A HA -0.233 4.090 4.320 0.005 0.000 0.219 286 A C 2.172 179.768 177.584 0.020 0.000 1.176 286 A CA 2.206 54.256 52.037 0.021 0.000 0.631 286 A CB -0.570 18.483 19.000 0.087 0.000 0.814 286 A HN 0.441 nan 8.150 nan 0.000 0.446 287 L N -0.836 120.318 121.223 -0.115 0.000 2.027 287 L HA -0.057 4.286 4.340 0.005 0.000 0.206 287 L C 2.447 179.341 176.870 0.039 0.000 1.074 287 L CA 1.887 56.672 54.840 -0.091 0.000 0.745 287 L CB -0.451 41.336 42.059 -0.453 0.000 0.898 287 L HN 0.254 nan 8.230 nan 0.000 0.433 288 R N -0.177 120.301 120.500 -0.037 0.000 2.120 288 R HA -0.124 4.219 4.340 0.005 0.000 0.234 288 R C 2.159 178.498 176.300 0.065 0.000 1.123 288 R CA 1.364 57.471 56.100 0.012 0.000 0.975 288 R CB -0.306 29.980 30.300 -0.023 0.000 0.866 288 R HN 0.514 nan 8.270 nan 0.000 0.446 289 E N -0.883 119.351 120.200 0.057 0.000 2.076 289 E HA -0.131 4.221 4.350 0.005 0.000 0.190 289 E C 1.683 178.320 176.600 0.061 0.000 0.979 289 E CA 0.993 57.423 56.400 0.050 0.000 0.807 289 E CB -0.062 29.657 29.700 0.033 0.000 0.761 289 E HN 0.095 nan 8.360 nan 0.000 0.454 290 M N -0.177 119.479 119.600 0.094 0.000 2.229 290 M HA -0.053 4.430 4.480 0.005 0.000 0.264 290 M C 0.621 176.835 176.300 -0.143 0.000 1.063 290 M CA 1.531 56.824 55.300 -0.011 0.000 1.114 290 M CB 0.123 32.739 32.600 0.026 0.000 1.387 290 M HN -0.029 nan 8.290 nan 0.000 0.420 291 F N 0.365 120.332 119.950 0.029 0.000 2.750 291 F HA 0.303 4.833 4.527 0.005 0.000 0.297 291 F C 0.383 176.287 175.800 0.173 0.000 1.138 291 F CA -0.681 57.385 58.000 0.110 0.000 1.346 291 F CB -0.423 38.560 39.000 -0.027 0.000 0.965 291 F HN -0.011 nan 8.300 nan 0.000 0.514 292 E N 0.309 120.618 120.200 0.182 0.000 2.481 292 E HA 0.191 4.544 4.350 0.005 0.000 0.263 292 E C 1.253 177.895 176.600 0.071 0.000 0.992 292 E CA 1.155 57.614 56.400 0.097 0.000 0.938 292 E CB 0.509 30.229 29.700 0.034 0.000 0.933 292 E HN 0.579 nan 8.360 nan 0.000 0.453 293 G N 2.432 111.231 108.800 -0.001 0.000 2.317 293 G HA2 -0.297 3.666 3.960 0.005 0.000 0.227 293 G HA3 -0.297 3.666 3.960 0.005 0.000 0.227 293 G C -0.187 174.609 174.900 -0.174 0.000 1.042 293 G CA -0.030 44.996 45.100 -0.123 0.000 0.623 293 G HN 0.507 nan 8.290 nan 0.000 0.509 294 Y N 1.869 122.183 120.300 0.023 0.000 2.298 294 Y HA 0.686 5.239 4.550 0.005 0.000 0.329 294 Y C 1.372 177.248 175.900 -0.039 0.000 1.293 294 Y CA -0.559 57.553 58.100 0.021 0.000 1.388 294 Y CB 0.491 39.016 38.460 0.107 0.000 1.309 294 Y HN 0.050 nan 8.280 nan 0.000 0.544 295 R N 1.645 122.217 120.500 0.120 0.000 2.459 295 R HA 0.341 4.683 4.340 0.005 0.000 0.281 295 R C -0.766 175.528 176.300 -0.009 0.000 1.050 295 R CA -0.465 55.638 56.100 0.005 0.000 1.055 295 R CB 0.692 31.005 30.300 0.022 0.000 1.045 295 R HN 0.588 nan 8.270 nan 0.000 0.495 296 M N 2.629 122.207 119.600 -0.037 0.000 2.101 296 M HA 0.281 4.764 4.480 0.005 0.000 0.340 296 M C 0.338 176.627 176.300 -0.018 0.000 1.057 296 M CA -0.445 54.814 55.300 -0.067 0.000 0.984 296 M CB 1.172 33.729 32.600 -0.072 0.000 1.560 296 M HN 0.188 nan 8.290 nan 0.000 0.435 297 R N 2.885 123.364 120.500 -0.035 0.000 2.280 297 R HA 0.580 4.923 4.340 0.005 0.000 0.326 297 R C -0.885 175.413 176.300 -0.004 0.000 1.080 297 R CA -0.046 56.054 56.100 0.000 0.000 1.002 297 R CB 0.408 30.692 30.300 -0.027 0.000 1.136 297 R HN 0.832 nan 8.270 nan 0.000 0.509 298 A N 3.508 126.336 122.820 0.014 0.000 2.425 298 A HA 0.215 4.538 4.320 0.005 0.000 0.249 298 A C -0.185 177.406 177.584 0.011 0.000 1.084 298 A CA -0.175 51.872 52.037 0.017 0.000 0.781 298 A CB 0.784 19.798 19.000 0.024 0.000 1.019 298 A HN 0.750 nan 8.150 nan 0.000 0.490 299 Q N 1.326 121.133 119.800 0.011 0.000 2.456 299 Q HA 0.704 5.047 4.340 0.005 0.000 0.283 299 Q C -0.920 175.075 176.000 -0.009 0.000 1.084 299 Q CA -0.384 55.406 55.803 -0.022 0.000 0.801 299 Q CB 1.325 30.028 28.738 -0.059 0.000 1.434 299 Q HN 0.734 nan 8.270 nan 0.000 0.419 300 M N 1.678 121.243 119.600 -0.059 0.000 2.368 300 M HA 0.381 4.864 4.480 0.005 0.000 0.311 300 M C 0.018 176.338 176.300 0.035 0.000 1.168 300 M CA -0.840 54.431 55.300 -0.049 0.000 1.044 300 M CB 0.795 33.210 32.600 -0.309 0.000 1.506 300 M HN 0.788 nan 8.290 nan 0.000 0.475 301 N N 0.536 119.323 118.700 0.146 0.000 2.411 301 N HA -0.032 4.711 4.740 0.005 0.000 0.261 301 N C 0.329 175.931 175.510 0.154 0.000 1.248 301 N CA 0.678 53.829 53.050 0.168 0.000 0.885 301 N CB 0.587 39.204 38.487 0.218 0.000 1.062 301 N HN 0.725 nan 8.380 nan 0.000 0.471 302 T N 0.333 114.929 114.554 0.069 0.000 2.964 302 T HA 0.113 4.466 4.350 0.005 0.000 0.250 302 T C 1.484 176.168 174.700 -0.027 0.000 0.982 302 T CA -0.255 61.865 62.100 0.033 0.000 0.959 302 T CB -0.189 68.681 68.868 0.003 0.000 1.141 302 T HN 0.457 nan 8.240 nan 0.000 0.494 303 K N 0.601 120.943 120.400 -0.097 0.000 2.026 303 K HA -0.054 4.269 4.320 0.005 0.000 0.208 303 K C -0.242 176.173 176.600 -0.308 0.000 1.048 303 K CA 1.127 57.242 56.287 -0.286 0.000 0.929 303 K CB -0.070 32.114 32.500 -0.526 0.000 0.713 303 K HN 0.403 nan 8.250 nan 0.000 0.439 304 Y N 0.709 121.039 120.300 0.050 0.000 2.921 304 Y HA 0.357 4.909 4.550 0.005 0.000 0.346 304 Y C -0.088 175.819 175.900 0.012 0.000 1.182 304 Y CA -0.230 57.894 58.100 0.040 0.000 1.319 304 Y CB 0.402 38.897 38.460 0.057 0.000 1.403 304 Y HN 0.051 nan 8.280 nan 0.000 0.554 305 M N 1.055 120.714 119.600 0.098 0.000 2.531 305 M HA 0.451 4.934 4.480 0.005 0.000 0.286 305 M C -1.182 175.117 176.300 -0.001 0.000 1.232 305 M CA -0.449 54.868 55.300 0.028 0.000 0.877 305 M CB 2.806 35.410 32.600 0.008 0.000 1.726 305 M HN 0.406 nan 8.290 nan 0.000 0.463 306 E N 1.406 121.586 120.200 -0.033 0.000 2.549 306 E HA 0.749 5.102 4.350 0.005 0.000 0.200 306 E C -0.469 176.080 176.600 -0.085 0.000 0.732 306 E CA 0.249 56.622 56.400 -0.045 0.000 0.987 306 E CB 1.421 31.101 29.700 -0.033 0.000 1.810 306 E HN 0.659 nan 8.360 nan 0.000 0.377 307 A N -0.020 122.745 122.820 -0.091 0.000 2.345 307 A HA 0.235 4.558 4.320 0.005 0.000 0.225 307 A C 0.445 177.944 177.584 -0.141 0.000 1.243 307 A CA 0.307 52.267 52.037 -0.128 0.000 0.875 307 A CB -0.246 18.685 19.000 -0.114 0.000 0.929 307 A HN 0.164 nan 8.150 nan 0.000 0.502 308 S N 0.610 116.242 115.700 -0.114 0.000 2.416 308 S HA 0.268 4.741 4.470 0.005 0.000 0.287 308 S C 1.560 176.079 174.600 -0.135 0.000 1.139 308 S CA 0.249 58.384 58.200 -0.107 0.000 1.058 308 S CB 0.423 63.580 63.200 -0.072 0.000 0.967 308 S HN 0.598 nan 8.310 nan 0.000 0.495 309 T N 3.384 117.846 114.554 -0.154 0.000 2.833 309 T HA -0.134 4.219 4.350 0.005 0.000 0.269 309 T C 1.841 176.489 174.700 -0.088 0.000 1.054 309 T CA 0.812 62.818 62.100 -0.157 0.000 1.135 309 T CB -0.288 68.481 68.868 -0.165 0.000 0.869 309 T HN 0.654 nan 8.240 nan 0.000 0.466 310 R N 1.273 121.739 120.500 -0.057 0.000 2.070 310 R HA -0.133 4.210 4.340 0.005 0.000 0.233 310 R C 2.570 178.832 176.300 -0.064 0.000 1.137 310 R CA 1.945 58.023 56.100 -0.037 0.000 0.945 310 R CB -0.464 29.824 30.300 -0.020 0.000 0.845 310 R HN 0.670 nan 8.270 nan 0.000 0.430 311 E N -0.202 119.952 120.200 -0.077 0.000 2.085 311 E HA -0.204 4.149 4.350 0.005 0.000 0.194 311 E C 1.803 178.314 176.600 -0.149 0.000 0.994 311 E CA 1.283 57.631 56.400 -0.087 0.000 0.801 311 E CB -0.118 29.539 29.700 -0.071 0.000 0.743 311 E HN 0.480 nan 8.360 nan 0.000 0.453 312 A N 0.370 123.065 122.820 -0.208 0.000 1.883 312 A HA -0.195 4.127 4.320 0.005 0.000 0.217 312 A C 2.425 179.661 177.584 -0.579 0.000 1.186 312 A CA 2.179 53.964 52.037 -0.420 0.000 0.624 312 A CB -1.119 17.668 19.000 -0.355 0.000 0.822 312 A HN 0.347 nan 8.150 nan 0.000 0.444 313 T N -0.298 114.100 114.554 -0.260 0.000 2.684 313 T HA -0.147 4.206 4.350 0.005 0.000 0.267 313 T C 1.880 176.548 174.700 -0.053 0.000 1.036 313 T CA 1.705 63.752 62.100 -0.088 0.000 1.148 313 T CB -0.475 68.397 68.868 0.007 0.000 0.863 313 T HN 0.159 nan 8.240 nan 0.000 0.436 314 V N 1.321 121.195 119.914 -0.065 0.000 2.343 314 V HA -0.188 3.935 4.120 0.005 0.000 0.247 314 V C 2.781 178.866 176.094 -0.015 0.000 1.051 314 V CA 2.048 64.334 62.300 -0.024 0.000 1.036 314 V CB -1.094 30.714 31.823 -0.025 0.000 0.654 314 V HN 0.525 nan 8.190 nan 0.000 0.451 315 T N -1.233 113.283 114.554 -0.064 0.000 2.788 315 T HA -0.211 4.141 4.350 0.005 0.000 0.268 315 T C 1.660 176.414 174.700 0.090 0.000 1.044 315 T CA 1.836 63.929 62.100 -0.012 0.000 1.139 315 T CB -0.395 68.447 68.868 -0.043 0.000 0.867 315 T HN 0.670 nan 8.240 nan 0.000 0.454 316 H N -0.086 119.004 119.070 0.033 0.000 2.387 316 H HA -0.031 4.528 4.556 0.005 0.000 0.299 316 H C 2.344 177.696 175.328 0.039 0.000 1.090 316 H CA 0.889 56.959 56.048 0.036 0.000 1.332 316 H CB -0.063 29.718 29.762 0.032 0.000 1.386 316 H HN 0.141 nan 8.280 nan 0.000 0.516 317 V N 1.181 121.186 119.914 0.151 0.000 2.343 317 V HA -0.246 3.877 4.120 0.005 0.000 0.247 317 V C 2.398 178.541 176.094 0.081 0.000 1.051 317 V CA 1.474 63.833 62.300 0.098 0.000 1.036 317 V CB -0.483 31.382 31.823 0.070 0.000 0.654 317 V HN 0.354 nan 8.190 nan 0.000 0.451 318 L N 0.057 121.326 121.223 0.076 0.000 2.083 318 L HA -0.195 4.148 4.340 0.005 0.000 0.209 318 L C 2.269 179.187 176.870 0.081 0.000 1.083 318 L CA 1.993 56.874 54.840 0.068 0.000 0.752 318 L CB -0.916 41.179 42.059 0.059 0.000 0.899 318 L HN 0.436 nan 8.230 nan 0.000 0.433 319 N N 0.156 118.919 118.700 0.105 0.000 2.104 319 N HA -0.204 4.539 4.740 0.005 0.000 0.190 319 N C 1.927 177.482 175.510 0.075 0.000 1.024 319 N CA 0.997 54.108 53.050 0.101 0.000 0.853 319 N CB -0.187 38.371 38.487 0.118 0.000 1.008 319 N HN 0.244 nan 8.380 nan 0.000 0.424 320 L N 0.346 121.613 121.223 0.074 0.000 2.141 320 L HA -0.122 4.221 4.340 0.005 0.000 0.209 320 L C 2.223 179.123 176.870 0.050 0.000 1.094 320 L CA 0.414 55.288 54.840 0.058 0.000 0.763 320 L CB -0.263 41.832 42.059 0.060 0.000 0.908 320 L HN 0.238 nan 8.230 nan 0.000 0.437 321 L N -0.236 121.018 121.223 0.051 0.000 2.046 321 L HA -0.213 4.130 4.340 0.005 0.000 0.208 321 L C 2.367 179.260 176.870 0.039 0.000 1.077 321 L CA 1.721 56.587 54.840 0.042 0.000 0.747 321 L CB -0.440 41.644 42.059 0.042 0.000 0.896 321 L HN 0.087 nan 8.230 nan 0.000 0.432 322 I N -0.932 119.666 120.570 0.047 0.000 2.163 322 I HA -0.288 3.885 4.170 0.005 0.000 0.243 322 I C 2.497 178.632 176.117 0.031 0.000 1.085 322 I CA 1.454 62.780 61.300 0.044 0.000 1.347 322 I CB -1.289 36.747 38.000 0.061 0.000 1.044 322 I HN 0.267 nan 8.210 nan 0.000 0.408 323 S N 0.601 116.321 115.700 0.033 0.000 2.359 323 S HA -0.244 4.228 4.470 0.005 0.000 0.224 323 S C 1.998 176.609 174.600 0.019 0.000 1.035 323 S CA 1.771 59.985 58.200 0.024 0.000 1.018 323 S CB -0.215 63.004 63.200 0.031 0.000 0.876 323 S HN 0.281 nan 8.310 nan 0.000 0.448 324 K N 1.409 121.824 120.400 0.024 0.000 2.097 324 K HA 0.066 4.389 4.320 0.005 0.000 0.206 324 K C 1.710 178.318 176.600 0.013 0.000 1.049 324 K CA 1.152 57.451 56.287 0.020 0.000 0.933 324 K CB -0.442 32.072 32.500 0.023 0.000 0.717 324 K HN 0.309 nan 8.250 nan 0.000 0.442 325 L N 0.120 121.352 121.223 0.014 0.000 2.376 325 L HA -0.064 4.279 4.340 0.005 0.000 0.219 325 L C 1.586 178.458 176.870 0.003 0.000 1.133 325 L CA 1.242 56.088 54.840 0.010 0.000 0.816 325 L CB -0.484 41.583 42.059 0.013 0.000 0.933 325 L HN 0.495 nan 8.230 nan 0.000 0.449 326 T N -3.706 110.848 114.554 -0.000 0.000 2.614 326 T HA 0.298 4.651 4.350 0.005 0.000 0.163 326 T C 0.252 174.944 174.700 -0.012 0.000 0.806 326 T CA -0.556 61.538 62.100 -0.010 0.000 1.020 326 T CB 1.034 69.889 68.868 -0.021 0.000 2.539 326 T HN 0.004 nan 8.240 nan 0.000 0.380 327 R N 0.082 120.572 120.500 -0.017 0.000 2.604 327 R HA 0.655 4.998 4.340 0.005 0.000 0.261 327 R C -2.321 173.971 176.300 -0.015 0.000 1.080 327 R CA -0.394 55.695 56.100 -0.017 0.000 0.917 327 R CB 2.008 32.291 30.300 -0.028 0.000 1.252 327 R HN 0.902 nan 8.270 nan 0.000 0.456 328 A N 2.754 125.574 122.820 0.001 0.000 2.375 328 A HA 0.332 4.655 4.320 0.005 0.000 0.295 328 A C -0.537 177.070 177.584 0.039 0.000 1.066 328 A CA -0.689 51.358 52.037 0.018 0.000 0.722 328 A CB 1.386 20.407 19.000 0.035 0.000 1.206 328 A HN 0.867 nan 8.150 nan 0.000 0.435 329 D N 1.488 121.916 120.400 0.048 0.000 2.216 329 D HA 0.103 4.746 4.640 0.005 0.000 0.208 329 D C 0.226 176.713 176.300 0.311 0.000 0.960 329 D CA 1.347 55.401 54.000 0.089 0.000 0.861 329 D CB 0.452 41.214 40.800 -0.064 0.000 0.985 329 D HN 0.568 nan 8.370 nan 0.000 0.493 330 I N 1.080 121.809 120.570 0.264 0.000 2.433 330 I HA 0.156 4.329 4.170 0.005 0.000 0.292 330 I C -0.502 175.708 176.117 0.155 0.000 1.001 330 I CA -0.723 60.736 61.300 0.265 0.000 1.119 330 I CB 2.166 40.312 38.000 0.243 0.000 1.289 330 I HN -0.289 nan 8.210 nan 0.000 0.438 331 Q N 4.862 124.748 119.800 0.143 0.000 2.394 331 Q HA 0.399 4.742 4.340 0.005 0.000 0.259 331 Q C -1.069 174.976 176.000 0.076 0.000 1.021 331 Q CA -0.245 55.611 55.803 0.087 0.000 0.805 331 Q CB 1.436 30.217 28.738 0.071 0.000 1.226 331 Q HN 0.665 nan 8.270 nan 0.000 0.476 332 S N 1.752 117.477 115.700 0.041 0.000 2.632 332 S HA 0.712 5.184 4.470 0.005 0.000 0.267 332 S C -0.235 174.337 174.600 -0.046 0.000 1.276 332 S CA -0.199 58.000 58.200 -0.002 0.000 0.998 332 S CB 0.942 64.117 63.200 -0.042 0.000 0.953 332 S HN 0.770 nan 8.310 nan 0.000 0.547 333 T N -0.951 113.559 114.554 -0.073 0.000 2.906 333 T HA 0.705 5.058 4.350 0.005 0.000 0.295 333 T C -0.904 173.708 174.700 -0.148 0.000 1.061 333 T CA -0.796 61.232 62.100 -0.121 0.000 1.000 333 T CB 0.736 69.565 68.868 -0.066 0.000 1.103 333 T HN 0.297 nan 8.240 nan 0.000 0.486 334 I N 2.891 123.307 120.570 -0.258 0.000 2.474 334 I HA 0.342 4.515 4.170 0.005 0.000 0.294 334 I C 1.035 177.118 176.117 -0.057 0.000 1.005 334 I CA -0.469 60.728 61.300 -0.171 0.000 1.113 334 I CB 1.922 39.809 38.000 -0.189 0.000 1.289 334 I HN 1.074 nan 8.210 nan 0.000 0.436 335 T N 3.824 118.387 114.554 0.015 0.000 2.901 335 T HA 0.233 4.586 4.350 0.005 0.000 0.301 335 T C -1.676 173.063 174.700 0.064 0.000 1.012 335 T CA -1.179 60.959 62.100 0.063 0.000 1.135 335 T CB 0.941 69.842 68.868 0.056 0.000 0.936 335 T HN 0.431 nan 8.240 nan 0.000 0.539 336 P HA -0.010 nan 4.420 nan 0.000 0.230 336 P C 0.697 177.823 177.300 -0.291 0.000 1.158 336 P CA 0.689 63.762 63.100 -0.046 0.000 0.769 336 P CB 0.030 31.721 31.700 -0.015 0.000 0.807 337 D N -0.986 119.121 120.400 -0.487 0.000 2.339 337 D HA -0.071 4.572 4.640 0.005 0.000 0.217 337 D C 1.539 177.606 176.300 -0.389 0.000 1.050 337 D CA 0.029 53.630 54.000 -0.665 0.000 0.856 337 D CB -0.617 39.495 40.800 -1.145 0.000 0.922 337 D HN 0.086 nan 8.370 nan 0.000 0.518 338 E N 0.914 120.980 120.200 -0.223 0.000 2.204 338 E HA -0.096 4.257 4.350 0.005 0.000 0.195 338 E C 1.713 178.231 176.600 -0.136 0.000 0.990 338 E CA 1.098 57.413 56.400 -0.142 0.000 0.821 338 E CB -0.203 29.460 29.700 -0.063 0.000 0.750 338 E HN 0.471 nan 8.360 nan 0.000 0.477 339 G N 0.122 108.836 108.800 -0.143 0.000 2.985 339 G HA2 -0.100 3.863 3.960 0.005 0.000 0.209 339 G HA3 -0.100 3.863 3.960 0.005 0.000 0.209 339 G C 1.489 176.302 174.900 -0.145 0.000 1.165 339 G CA -0.064 44.965 45.100 -0.119 0.000 0.776 339 G HN 0.091 nan 8.290 nan 0.000 0.541 340 R N -0.075 120.300 120.500 -0.209 0.000 2.276 340 R HA 0.142 4.485 4.340 0.005 0.000 0.195 340 R C 0.088 176.245 176.300 -0.238 0.000 0.908 340 R CA 0.437 56.397 56.100 -0.234 0.000 1.083 340 R CB 0.323 30.429 30.300 -0.324 0.000 1.182 340 R HN 0.470 nan 8.270 nan 0.000 0.608 341 N N -1.116 117.412 118.700 -0.286 0.000 3.046 341 N HA 0.072 4.815 4.740 0.005 0.000 0.243 341 N C -1.072 174.320 175.510 -0.197 0.000 1.452 341 N CA -0.708 52.199 53.050 -0.238 0.000 0.882 341 N CB 1.724 40.013 38.487 -0.330 0.000 1.425 341 N HN -0.237 nan 8.380 nan 0.000 0.517 342 V N 1.121 120.977 119.914 -0.097 0.000 2.673 342 V HA 0.155 4.278 4.120 0.005 0.000 0.303 342 V C -1.917 174.162 176.094 -0.026 0.000 1.046 342 V CA -0.531 61.736 62.300 -0.056 0.000 1.126 342 V CB 0.086 31.885 31.823 -0.041 0.000 0.934 342 V HN 0.610 nan 8.190 nan 0.000 0.487 343 P HA 0.006 nan 4.420 nan 0.000 0.264 343 P C -0.789 176.636 177.300 0.208 0.000 1.193 343 P CA 0.051 63.168 63.100 0.028 0.000 0.763 343 P CB 0.274 31.997 31.700 0.038 0.000 0.810 344 W N 2.784 124.100 121.300 0.028 0.000 2.375 344 W HA 0.186 4.848 4.660 0.004 0.000 0.336 344 W C 1.881 178.384 176.519 -0.028 0.000 1.160 344 W CA -0.369 56.939 57.345 -0.061 0.000 1.266 344 W CB -0.598 28.890 29.460 0.047 0.000 1.195 344 W HN 0.559 nan 8.180 nan 0.000 0.599 345 H N 1.810 120.990 119.070 0.182 0.000 2.292 345 H HA -0.240 4.319 4.556 0.005 0.000 0.292 345 H C 1.934 177.277 175.328 0.026 0.000 1.100 345 H CA 2.769 58.859 56.048 0.070 0.000 1.238 345 H CB -0.945 28.817 29.762 -0.001 0.000 1.355 345 H HN 0.521 nan 8.280 nan 0.000 0.484 346 I N -1.878 118.758 120.570 0.110 0.000 2.567 346 I HA -0.209 3.964 4.170 0.005 0.000 0.257 346 I C 1.777 177.769 176.117 -0.209 0.000 1.184 346 I CA 1.483 62.710 61.300 -0.121 0.000 1.451 346 I CB -0.545 37.301 38.000 -0.257 0.000 1.089 346 I HN -0.050 nan 8.210 nan 0.000 0.441 347 Y N 1.482 121.844 120.300 0.103 0.000 2.448 347 Y HA 0.064 4.617 4.550 0.004 0.000 0.289 347 Y C 2.253 178.172 175.900 0.031 0.000 1.114 347 Y CA 0.808 58.933 58.100 0.041 0.000 1.235 347 Y CB -0.785 37.667 38.460 -0.014 0.000 1.045 347 Y HN 0.185 nan 8.280 nan 0.000 0.554 348 N N 0.148 118.950 118.700 0.171 0.000 2.104 348 N HA -0.175 4.568 4.740 0.005 0.000 0.190 348 N C 1.449 176.989 175.510 0.050 0.000 1.024 348 N CA 1.529 54.642 53.050 0.105 0.000 0.853 348 N CB -0.310 38.242 38.487 0.108 0.000 1.008 348 N HN 0.112 nan 8.380 nan 0.000 0.424 349 I N 1.368 121.930 120.570 -0.014 0.000 2.315 349 I HA -0.157 4.016 4.170 0.005 0.000 0.248 349 I C 2.008 178.074 176.117 -0.084 0.000 1.117 349 I CA 1.069 62.278 61.300 -0.151 0.000 1.404 349 I CB -0.420 37.352 38.000 -0.379 0.000 1.071 349 I HN 0.188 nan 8.210 nan 0.000 0.419 350 E N 0.429 120.620 120.200 -0.014 0.000 2.097 350 E HA -0.277 4.076 4.350 0.005 0.000 0.196 350 E C 2.322 178.979 176.600 0.095 0.000 1.000 350 E CA 1.554 57.992 56.400 0.063 0.000 0.804 350 E CB -0.271 29.521 29.700 0.154 0.000 0.740 350 E HN 0.533 nan 8.360 nan 0.000 0.454 351 A N 0.860 123.741 122.820 0.101 0.000 1.898 351 A HA -0.180 4.143 4.320 0.005 0.000 0.216 351 A C 2.522 180.148 177.584 0.070 0.000 1.181 351 A CA 1.253 53.343 52.037 0.088 0.000 0.620 351 A CB -0.838 18.199 19.000 0.062 0.000 0.819 351 A HN 0.351 nan 8.150 nan 0.000 0.442 352 C N -0.295 119.046 119.300 0.068 0.000 2.413 352 C HA -0.110 4.353 4.460 0.005 0.000 0.276 352 C C 2.384 177.440 174.990 0.110 0.000 1.248 352 C CA 1.137 60.208 59.018 0.088 0.000 1.742 352 C CB -1.189 26.618 27.740 0.112 0.000 2.017 352 C HN 0.600 nan 8.230 nan 0.000 0.481 353 D N 0.235 120.707 120.400 0.120 0.000 2.117 353 D HA -0.090 4.553 4.640 0.005 0.000 0.198 353 D C 2.239 178.606 176.300 0.111 0.000 0.982 353 D CA 1.526 55.611 54.000 0.141 0.000 0.828 353 D CB -0.711 40.178 40.800 0.149 0.000 0.967 353 D HN 0.406 nan 8.370 nan 0.000 0.464 354 T N 0.635 115.251 114.554 0.102 0.000 2.746 354 T HA -0.107 4.246 4.350 0.005 0.000 0.267 354 T C 1.973 176.724 174.700 0.086 0.000 1.039 354 T CA 1.460 63.620 62.100 0.099 0.000 1.142 354 T CB -0.232 68.707 68.868 0.117 0.000 0.866 354 T HN 0.188 nan 8.240 nan 0.000 0.444 355 A N 2.409 125.275 122.820 0.077 0.000 1.877 355 A HA -0.157 4.166 4.320 0.005 0.000 0.216 355 A C 2.197 179.819 177.584 0.063 0.000 1.186 355 A CA 2.029 54.104 52.037 0.063 0.000 0.620 355 A CB -0.466 18.565 19.000 0.051 0.000 0.822 355 A HN 0.709 nan 8.150 nan 0.000 0.443 356 K N -0.422 120.019 120.400 0.068 0.000 2.103 356 K HA -0.132 4.190 4.320 0.005 0.000 0.204 356 K C 2.149 178.784 176.600 0.058 0.000 1.052 356 K CA 1.329 57.651 56.287 0.058 0.000 0.945 356 K CB -0.407 32.126 32.500 0.054 0.000 0.722 356 K HN 0.541 nan 8.250 nan 0.000 0.443 357 Q N 1.048 120.891 119.800 0.072 0.000 2.030 357 Q HA -0.189 4.153 4.340 0.005 0.000 0.204 357 Q C 2.175 178.211 176.000 0.061 0.000 0.986 357 Q CA 1.947 57.794 55.803 0.073 0.000 0.843 357 Q CB -0.273 28.517 28.738 0.087 0.000 0.904 357 Q HN 0.484 nan 8.270 nan 0.000 0.420 358 A N 0.602 123.459 122.820 0.061 0.000 1.898 358 A HA -0.111 4.212 4.320 0.005 0.000 0.216 358 A C 2.082 179.693 177.584 0.045 0.000 1.181 358 A CA 1.132 53.201 52.037 0.053 0.000 0.620 358 A CB -0.667 18.369 19.000 0.060 0.000 0.819 358 A HN 0.457 nan 8.150 nan 0.000 0.442 359 L N -0.311 120.940 121.223 0.047 0.000 2.046 359 L HA -0.171 4.172 4.340 0.005 0.000 0.208 359 L C 2.373 179.269 176.870 0.043 0.000 1.077 359 L CA 0.715 55.580 54.840 0.043 0.000 0.747 359 L CB -0.493 41.592 42.059 0.043 0.000 0.896 359 L HN 0.299 nan 8.230 nan 0.000 0.432 360 I N 0.311 120.908 120.570 0.045 0.000 2.202 360 I HA -0.158 4.014 4.170 0.005 0.000 0.242 360 I C 2.732 178.880 176.117 0.051 0.000 1.091 360 I CA 1.619 62.957 61.300 0.062 0.000 1.368 360 I CB -2.029 36.002 38.000 0.051 0.000 1.058 360 I HN 0.217 nan 8.210 nan 0.000 0.410 361 G N 0.670 109.486 108.800 0.027 0.000 2.503 361 G HA2 -0.273 3.690 3.960 0.005 0.000 0.221 361 G HA3 -0.273 3.690 3.960 0.005 0.000 0.221 361 G C 1.509 176.403 174.900 -0.009 0.000 1.131 361 G CA 0.632 45.731 45.100 -0.002 0.000 0.756 361 G HN 0.371 nan 8.290 nan 0.000 0.572 362 M N 0.691 120.297 119.600 0.011 0.000 2.551 362 M HA 0.193 4.676 4.480 0.005 0.000 0.252 362 M C 0.009 176.316 176.300 0.011 0.000 1.219 362 M CA -0.346 54.958 55.300 0.008 0.000 0.978 362 M CB 0.302 32.912 32.600 0.018 0.000 1.533 362 M HN 0.070 nan 8.290 nan 0.000 0.474 363 D N 0.465 120.877 120.400 0.019 0.000 2.450 363 D HA 0.191 4.834 4.640 0.005 0.000 0.247 363 D C 1.311 177.613 176.300 0.002 0.000 1.162 363 D CA 1.675 55.698 54.000 0.039 0.000 0.879 363 D CB 0.542 41.404 40.800 0.102 0.000 1.163 363 D HN 0.490 nan 8.370 nan 0.000 0.472 364 G N 3.041 111.847 108.800 0.011 0.000 2.168 364 G HA2 -0.348 3.615 3.960 0.005 0.000 0.263 364 G HA3 -0.348 3.615 3.960 0.005 0.000 0.263 364 G C 0.949 175.843 174.900 -0.009 0.000 0.977 364 G CA 0.513 45.611 45.100 -0.004 0.000 0.659 364 G HN 0.576 nan 8.290 nan 0.000 0.533 365 L N -0.028 121.192 121.223 -0.005 0.000 2.043 365 L HA 0.029 4.371 4.340 0.005 0.000 0.212 365 L C 2.614 179.482 176.870 -0.003 0.000 1.075 365 L CA 2.806 57.643 54.840 -0.006 0.000 0.752 365 L CB -0.292 41.767 42.059 0.000 0.000 0.891 365 L HN 0.333 nan 8.230 nan 0.000 0.432 366 M N -0.953 118.647 119.600 -0.000 0.000 2.686 366 M HA -0.047 4.436 4.480 0.005 0.000 0.246 366 M C 1.141 177.439 176.300 -0.003 0.000 1.096 366 M CA 0.617 55.917 55.300 -0.000 0.000 1.076 366 M CB -1.218 31.383 32.600 0.001 0.000 1.504 366 M HN 0.223 nan 8.290 nan 0.000 0.524 367 D N -0.291 120.106 120.400 -0.005 0.000 2.347 367 D HA 0.081 4.723 4.640 0.005 0.000 0.213 367 D C 1.702 177.997 176.300 -0.007 0.000 0.985 367 D CA 0.772 54.768 54.000 -0.006 0.000 0.879 367 D CB 0.281 41.076 40.800 -0.008 0.000 0.919 367 D HN 0.383 nan 8.370 nan 0.000 0.526 368 M N -0.516 119.079 119.600 -0.008 0.000 2.279 368 M HA 0.143 4.626 4.480 0.005 0.000 0.299 368 M C -0.185 176.112 176.300 -0.004 0.000 0.970 368 M CA 0.179 55.474 55.300 -0.008 0.000 1.065 368 M CB 2.320 34.913 32.600 -0.012 0.000 1.669 368 M HN -0.325 nan 8.290 nan 0.000 0.582 369 V N 1.459 121.372 119.914 -0.002 0.000 2.789 369 V HA 0.455 4.578 4.120 0.005 0.000 0.311 369 V C -0.847 175.248 176.094 0.002 0.000 1.073 369 V CA -0.692 61.609 62.300 0.001 0.000 0.921 369 V CB 2.253 34.077 31.823 0.003 0.000 1.009 369 V HN 0.341 nan 8.190 nan 0.000 0.426 370 Q N 3.605 123.406 119.800 0.003 0.000 2.501 370 Q HA 0.717 5.060 4.340 0.005 0.000 0.288 370 Q C -1.742 174.260 176.000 0.004 0.000 1.051 370 Q CA -0.989 54.815 55.803 0.002 0.000 0.788 370 Q CB 2.447 31.186 28.738 0.001 0.000 1.469 370 Q HN 0.573 nan 8.270 nan 0.000 0.416 371 L N 1.377 122.601 121.223 0.002 0.000 2.397 371 L HA 0.313 4.656 4.340 0.005 0.000 0.271 371 L C 0.101 176.972 176.870 0.002 0.000 1.148 371 L CA -0.414 54.427 54.840 0.001 0.000 0.825 371 L CB 0.448 42.506 42.059 -0.002 0.000 1.117 371 L HN 0.593 nan 8.230 nan 0.000 0.456 372 K N 2.523 122.924 120.400 0.002 0.000 2.187 372 K HA 0.076 4.399 4.320 0.005 0.000 0.242 372 K C 0.791 177.392 176.600 0.000 0.000 1.179 372 K CA -0.280 56.009 56.287 0.004 0.000 1.097 372 K CB 0.384 32.890 32.500 0.009 0.000 1.634 372 K HN 0.308 nan 8.250 nan 0.000 0.335 373 R N 1.615 122.116 120.500 0.001 0.000 2.148 373 R HA -0.101 4.241 4.340 0.005 0.000 0.227 373 R C 0.538 176.841 176.300 0.004 0.000 1.103 373 R CA 1.405 57.506 56.100 0.001 0.000 0.983 373 R CB -0.083 30.218 30.300 0.003 0.000 0.874 373 R HN 0.532 nan 8.270 nan 0.000 0.451 374 E N -0.498 119.706 120.200 0.006 0.000 2.242 374 E HA 0.575 4.928 4.350 0.005 0.000 0.275 374 E C 0.454 177.060 176.600 0.010 0.000 1.002 374 E CA -0.419 55.987 56.400 0.009 0.000 0.841 374 E CB 0.605 30.311 29.700 0.010 0.000 1.109 374 E HN 0.558 nan 8.360 nan 0.000 0.394 375 G N -0.787 108.020 108.800 0.013 0.000 2.434 375 G HA2 0.013 3.976 3.960 0.005 0.000 0.671 375 G HA3 0.013 3.976 3.960 0.005 0.000 0.671 375 G C 1.034 175.941 174.900 0.012 0.000 1.280 375 G CA 0.352 45.461 45.100 0.016 0.000 0.975 375 G HN 1.686 nan 8.290 nan 0.000 0.510 376 V N 0.211 120.134 119.914 0.015 0.000 2.380 376 V HA -0.136 3.987 4.120 0.005 0.000 0.251 376 V C 2.841 178.913 176.094 -0.036 0.000 1.063 376 V CA 3.350 65.655 62.300 0.007 0.000 1.055 376 V CB -0.529 31.317 31.823 0.038 0.000 0.657 376 V HN 1.447 nan 8.190 nan 0.000 0.455 377 L N 1.442 122.630 121.223 -0.059 0.000 1.989 377 L HA -0.003 4.340 4.340 0.005 0.000 0.211 377 L C 2.422 179.279 176.870 -0.021 0.000 1.071 377 L CA 2.795 57.593 54.840 -0.069 0.000 0.749 377 L CB -1.550 40.474 42.059 -0.060 0.000 0.890 377 L HN 0.315 nan 8.230 nan 0.000 0.431 378 G N -1.301 107.497 108.800 -0.004 0.000 2.422 378 G HA2 -0.253 3.710 3.960 0.005 0.000 0.218 378 G HA3 -0.253 3.710 3.960 0.005 0.000 0.218 378 G C 1.233 176.146 174.900 0.023 0.000 1.146 378 G CA 0.832 45.939 45.100 0.011 0.000 0.769 378 G HN 0.470 nan 8.290 nan 0.000 0.547 379 D N 0.444 120.858 120.400 0.022 0.000 2.097 379 D HA -0.075 4.568 4.640 0.005 0.000 0.195 379 D C 2.684 179.013 176.300 0.049 0.000 0.989 379 D CA 1.531 55.552 54.000 0.035 0.000 0.827 379 D CB -0.679 40.144 40.800 0.037 0.000 0.966 379 D HN 0.223 nan 8.370 nan 0.000 0.456 380 T N 0.626 115.206 114.554 0.043 0.000 2.821 380 T HA -0.057 4.296 4.350 0.005 0.000 0.267 380 T C 2.270 177.026 174.700 0.093 0.000 1.046 380 T CA 0.449 62.591 62.100 0.070 0.000 1.139 380 T CB -0.243 68.648 68.868 0.038 0.000 0.871 380 T HN -0.042 nan 8.240 nan 0.000 0.454 381 V N 1.832 121.787 119.914 0.068 0.000 2.287 381 V HA -0.199 3.924 4.120 0.005 0.000 0.248 381 V C 2.666 178.813 176.094 0.088 0.000 1.053 381 V CA 1.854 64.202 62.300 0.080 0.000 1.027 381 V CB -0.542 31.310 31.823 0.049 0.000 0.646 381 V HN 0.286 nan 8.190 nan 0.000 0.447 382 R N 0.740 121.282 120.500 0.070 0.000 2.081 382 R HA -0.189 4.154 4.340 0.005 0.000 0.235 382 R C 2.245 178.593 176.300 0.080 0.000 1.131 382 R CA 2.220 58.360 56.100 0.066 0.000 0.960 382 R CB -0.665 29.665 30.300 0.049 0.000 0.856 382 R HN 0.668 nan 8.270 nan 0.000 0.436 383 E N 0.018 120.271 120.200 0.089 0.000 2.058 383 E HA -0.199 4.153 4.350 0.005 0.000 0.194 383 E C 1.898 178.574 176.600 0.127 0.000 0.997 383 E CA 1.626 58.085 56.400 0.099 0.000 0.801 383 E CB -0.185 29.583 29.700 0.113 0.000 0.746 383 E HN 0.438 nan 8.360 nan 0.000 0.450 384 L N 0.444 121.769 121.223 0.170 0.000 2.083 384 L HA -0.188 4.155 4.340 0.005 0.000 0.209 384 L C 2.636 179.623 176.870 0.195 0.000 1.083 384 L CA 1.388 56.361 54.840 0.222 0.000 0.752 384 L CB -0.301 41.928 42.059 0.284 0.000 0.899 384 L HN 0.088 nan 8.230 nan 0.000 0.433 385 K N -0.067 120.426 120.400 0.156 0.000 2.057 385 K HA -0.169 4.154 4.320 0.005 0.000 0.206 385 K C 2.014 178.682 176.600 0.114 0.000 1.050 385 K CA 1.330 57.696 56.287 0.131 0.000 0.935 385 K CB -0.069 32.489 32.500 0.096 0.000 0.715 385 K HN 0.352 nan 8.250 nan 0.000 0.439 386 E N 0.497 120.757 120.200 0.099 0.000 2.051 386 E HA -0.166 4.187 4.350 0.005 0.000 0.192 386 E C 2.110 178.774 176.600 0.107 0.000 0.991 386 E CA 0.994 57.444 56.400 0.085 0.000 0.799 386 E CB 0.008 29.745 29.700 0.062 0.000 0.748 386 E HN 0.211 nan 8.360 nan 0.000 0.449 387 R N 0.499 121.069 120.500 0.117 0.000 2.091 387 R HA -0.142 4.201 4.340 0.005 0.000 0.238 387 R C 2.380 178.821 176.300 0.236 0.000 1.136 387 R CA 1.257 57.457 56.100 0.166 0.000 0.959 387 R CB -0.340 30.020 30.300 0.099 0.000 0.856 387 R HN 0.118 nan 8.270 nan 0.000 0.437 388 A N 0.556 123.494 122.820 0.196 0.000 1.898 388 A HA -0.102 4.221 4.320 0.005 0.000 0.216 388 A C 2.360 180.027 177.584 0.138 0.000 1.181 388 A CA 1.300 53.440 52.037 0.171 0.000 0.620 388 A CB -0.492 18.612 19.000 0.173 0.000 0.819 388 A HN 0.120 nan 8.150 nan 0.000 0.442 389 V N 0.214 120.202 119.914 0.124 0.000 2.343 389 V HA -0.261 3.862 4.120 0.005 0.000 0.247 389 V C 2.564 178.733 176.094 0.125 0.000 1.051 389 V CA 1.960 64.320 62.300 0.101 0.000 1.036 389 V CB -0.758 31.111 31.823 0.077 0.000 0.654 389 V HN 0.576 nan 8.190 nan 0.000 0.451 390 L N -1.307 120.011 121.223 0.157 0.000 2.079 390 L HA -0.221 4.121 4.340 0.005 0.000 0.210 390 L C 2.329 179.336 176.870 0.229 0.000 1.081 390 L CA 1.868 56.827 54.840 0.199 0.000 0.752 390 L CB -0.584 41.618 42.059 0.238 0.000 0.896 390 L HN 0.316 nan 8.230 nan 0.000 0.433 391 F N 0.120 119.996 119.950 -0.122 0.000 2.102 391 F HA -0.284 4.246 4.527 0.005 0.000 0.298 391 F C 2.593 178.281 175.800 -0.186 0.000 1.105 391 F CA 1.287 58.920 58.000 -0.611 0.000 1.239 391 F CB 0.065 38.560 39.000 -0.842 0.000 0.991 391 F HN -0.026 nan 8.300 nan 0.000 0.474 392 M N -0.201 119.521 119.600 0.202 0.000 2.229 392 M HA -0.196 4.287 4.480 0.005 0.000 0.264 392 M C 1.873 178.267 176.300 0.157 0.000 1.063 392 M CA 1.544 56.940 55.300 0.160 0.000 1.114 392 M CB -0.491 32.165 32.600 0.093 0.000 1.387 392 M HN 0.166 nan 8.290 nan 0.000 0.420 393 E N 0.275 120.559 120.200 0.140 0.000 2.085 393 E HA -0.249 4.104 4.350 0.005 0.000 0.194 393 E C 1.876 178.565 176.600 0.147 0.000 0.994 393 E CA 1.274 57.746 56.400 0.120 0.000 0.801 393 E CB -0.137 29.622 29.700 0.099 0.000 0.743 393 E HN 0.526 nan 8.360 nan 0.000 0.453 394 E N 0.651 120.969 120.200 0.196 0.000 2.107 394 E HA -0.152 4.201 4.350 0.005 0.000 0.191 394 E C 2.094 178.917 176.600 0.372 0.000 0.982 394 E CA 0.441 56.991 56.400 0.250 0.000 0.809 394 E CB 0.050 29.877 29.700 0.212 0.000 0.756 394 E HN 0.221 nan 8.360 nan 0.000 0.459 395 I N 0.991 121.791 120.570 0.384 0.000 2.163 395 I HA -0.326 3.846 4.170 0.005 0.000 0.243 395 I C 2.347 178.529 176.117 0.108 0.000 1.085 395 I CA 1.133 62.577 61.300 0.241 0.000 1.347 395 I CB -0.249 37.902 38.000 0.251 0.000 1.044 395 I HN 0.211 nan 8.210 nan 0.000 0.408 396 I N 0.399 121.037 120.570 0.113 0.000 2.226 396 I HA -0.308 3.865 4.170 0.005 0.000 0.245 396 I C 2.637 178.789 176.117 0.058 0.000 1.100 396 I CA 1.533 62.872 61.300 0.066 0.000 1.374 396 I CB -0.492 37.546 38.000 0.062 0.000 1.057 396 I HN 0.329 nan 8.210 nan 0.000 0.413 397 E N 1.493 121.745 120.200 0.086 0.000 2.204 397 E HA -0.221 4.132 4.350 0.005 0.000 0.195 397 E C 2.070 178.708 176.600 0.065 0.000 0.990 397 E CA 1.185 57.629 56.400 0.075 0.000 0.821 397 E CB 0.033 29.788 29.700 0.092 0.000 0.750 397 E HN 0.500 nan 8.360 nan 0.000 0.477 398 A N -0.074 122.787 122.820 0.068 0.000 2.206 398 A HA 0.193 4.516 4.320 0.005 0.000 0.211 398 A C 1.687 179.250 177.584 -0.036 0.000 1.158 398 A CA 1.027 53.068 52.037 0.006 0.000 0.761 398 A CB -0.259 18.671 19.000 -0.117 0.000 0.801 398 A HN 0.485 nan 8.150 nan 0.000 0.473 399 G N -3.125 105.664 108.800 -0.017 0.000 2.163 399 G HA2 0.338 4.301 3.960 0.005 0.000 0.213 399 G HA3 0.338 4.301 3.960 0.005 0.000 0.213 399 G C 1.166 176.043 174.900 -0.038 0.000 0.991 399 G CA 0.332 45.418 45.100 -0.022 0.000 0.653 399 G HN 2.396 nan 8.290 nan 0.000 0.518 400 G N -1.892 106.880 108.800 -0.046 0.000 2.373 400 G HA2 0.245 4.208 3.960 0.005 0.000 0.634 400 G HA3 0.245 4.208 3.960 0.005 0.000 0.634 400 G C 0.160 175.024 174.900 -0.061 0.000 1.267 400 G CA 0.391 45.460 45.100 -0.052 0.000 1.008 400 G HN 1.387 nan 8.290 nan 0.000 0.497 401 Y N 0.222 120.400 120.300 -0.203 0.000 2.114 401 Y HA 0.038 4.591 4.550 0.005 0.000 0.284 401 Y C 2.820 178.694 175.900 -0.043 0.000 1.143 401 Y CA 3.027 61.028 58.100 -0.164 0.000 1.135 401 Y CB -0.328 37.922 38.460 -0.349 0.000 0.980 401 Y HN 0.443 nan 8.280 nan 0.000 0.499 402 F N 0.811 120.678 119.950 -0.139 0.000 2.091 402 F HA -0.271 4.259 4.527 0.005 0.000 0.299 402 F C 2.227 177.887 175.800 -0.234 0.000 1.103 402 F CA 1.537 59.423 58.000 -0.190 0.000 1.228 402 F CB -1.481 37.467 39.000 -0.088 0.000 0.984 402 F HN 0.173 nan 8.300 nan 0.000 0.477 403 N N 0.197 118.890 118.700 -0.013 0.000 2.120 403 N HA -0.113 4.629 4.740 0.005 0.000 0.188 403 N C 2.052 177.382 175.510 -0.299 0.000 1.024 403 N CA 1.427 54.406 53.050 -0.119 0.000 0.852 403 N CB -0.788 37.637 38.487 -0.103 0.000 1.003 403 N HN 0.233 nan 8.380 nan 0.000 0.424 404 A N 0.619 123.168 122.820 -0.451 0.000 1.902 404 A HA -0.098 4.225 4.320 0.005 0.000 0.217 404 A C 2.475 179.783 177.584 -0.459 0.000 1.181 404 A CA 1.441 52.942 52.037 -0.892 0.000 0.623 404 A CB -0.853 17.733 19.000 -0.689 0.000 0.818 404 A HN 0.107 nan 8.150 nan 0.000 0.443 405 V N 0.162 119.912 119.914 -0.273 0.000 2.343 405 V HA -0.259 3.863 4.120 0.005 0.000 0.247 405 V C 2.431 178.478 176.094 -0.079 0.000 1.051 405 V CA 2.204 64.430 62.300 -0.123 0.000 1.036 405 V CB -0.814 30.822 31.823 -0.311 0.000 0.654 405 V HN 0.605 nan 8.190 nan 0.000 0.451 406 E N -0.142 119.988 120.200 -0.116 0.000 2.110 406 E HA -0.253 4.100 4.350 0.005 0.000 0.193 406 E C 2.034 178.609 176.600 -0.042 0.000 0.988 406 E CA 1.164 57.519 56.400 -0.075 0.000 0.804 406 E CB -0.116 29.539 29.700 -0.076 0.000 0.745 406 E HN 0.684 nan 8.360 nan 0.000 0.458 407 Q N -0.571 119.189 119.800 -0.067 0.000 2.373 407 Q HA 0.094 4.437 4.340 0.005 0.000 0.206 407 Q C 0.643 176.745 176.000 0.169 0.000 0.942 407 Q CA 0.323 56.145 55.803 0.033 0.000 0.953 407 Q CB 0.683 29.434 28.738 0.022 0.000 1.022 407 Q HN 0.336 nan 8.270 nan 0.000 0.502 408 G N 0.556 109.441 108.800 0.141 0.000 2.221 408 G HA2 -0.266 3.697 3.960 0.005 0.000 0.265 408 G HA3 -0.266 3.697 3.960 0.005 0.000 0.265 408 G C 0.224 175.301 174.900 0.295 0.000 1.041 408 G CA -0.036 45.174 45.100 0.184 0.000 0.807 408 G HN 0.354 nan 8.290 nan 0.000 0.502 409 F N -0.653 119.298 119.950 0.003 0.000 2.293 409 F HA 0.291 4.821 4.527 0.005 0.000 0.300 409 F C 1.560 177.270 175.800 -0.150 0.000 1.086 409 F CA 0.145 58.069 58.000 -0.127 0.000 1.375 409 F CB -0.304 38.550 39.000 -0.243 0.000 1.045 409 F HN 0.246 nan 8.300 nan 0.000 0.516 410 F N -1.633 118.489 119.950 0.286 0.000 2.432 410 F HA 0.434 4.964 4.527 0.005 0.000 0.329 410 F C 1.020 176.883 175.800 0.106 0.000 1.076 410 F CA -1.052 57.061 58.000 0.189 0.000 1.018 410 F CB 1.131 40.175 39.000 0.073 0.000 1.201 410 F HN -0.398 nan 8.300 nan 0.000 0.489 411 V N -0.165 119.927 119.914 0.298 0.000 3.774 411 V HA -0.300 3.823 4.120 0.005 0.000 0.216 411 V C -0.111 176.060 176.094 0.127 0.000 0.441 411 V CA 1.030 63.443 62.300 0.189 0.000 0.985 411 V CB -2.404 29.503 31.823 0.140 0.000 1.085 411 V HN 0.961 nan 8.190 nan 0.000 1.240 412 D N 0.844 121.316 120.400 0.120 0.000 2.302 412 D HA 0.324 4.967 4.640 0.005 0.000 0.248 412 D C 1.357 177.683 176.300 0.044 0.000 1.094 412 D CA 0.524 54.561 54.000 0.061 0.000 0.897 412 D CB 1.879 42.696 40.800 0.027 0.000 1.200 412 D HN 0.523 nan 8.370 nan 0.000 0.429 413 S N 1.839 117.546 115.700 0.010 0.000 2.607 413 S HA 0.117 4.590 4.470 0.005 0.000 0.224 413 S C 1.012 175.592 174.600 -0.033 0.000 0.969 413 S CA -0.260 57.927 58.200 -0.021 0.000 0.927 413 S CB 0.062 63.240 63.200 -0.035 0.000 0.772 413 S HN 0.449 nan 8.310 nan 0.000 0.533 414 G N 0.399 109.193 108.800 -0.010 0.000 2.537 414 G HA2 0.383 4.346 3.960 0.005 0.000 0.273 414 G HA3 0.383 4.346 3.960 0.005 0.000 0.273 414 G C -1.056 173.893 174.900 0.080 0.000 1.189 414 G CA -0.713 44.387 45.100 -0.001 0.000 0.881 414 G HN 0.336 nan 8.290 nan 0.000 0.535 415 Y N 1.808 122.066 120.300 -0.070 0.000 2.600 415 Y HA 0.298 4.851 4.550 0.005 0.000 0.351 415 Y C -0.003 175.879 175.900 -0.029 0.000 1.042 415 Y CA -2.079 56.004 58.100 -0.028 0.000 1.333 415 Y CB -0.573 37.874 38.460 -0.022 0.000 1.172 415 Y HN 0.452 nan 8.280 nan 0.000 0.517 416 Y N 9.391 129.620 120.300 -0.119 0.000 2.810 416 Y HA 0.071 4.624 4.550 0.005 0.000 0.332 416 Y C -1.335 174.322 175.900 -0.405 0.000 1.243 416 Y CA -1.094 56.825 58.100 -0.302 0.000 1.537 416 Y CB 0.861 39.145 38.460 -0.294 0.000 1.265 416 Y HN 0.522 nan 8.280 nan 0.000 0.572 417 P HA -0.031 nan 4.420 nan 0.000 0.249 417 P C -0.665 176.114 177.300 -0.869 0.000 1.229 417 P CA 0.382 62.443 63.100 -1.731 0.000 0.788 417 P CB 0.132 31.088 31.700 -1.239 0.000 1.072 418 E N 1.359 121.262 120.200 -0.494 0.000 2.529 418 E HA -0.020 4.333 4.350 0.005 0.000 0.259 418 E C 0.302 176.737 176.600 -0.275 0.000 0.966 418 E CA 0.529 56.757 56.400 -0.286 0.000 0.937 418 E CB 0.389 30.011 29.700 -0.130 0.000 0.923 418 E HN 0.074 nan 8.360 nan 0.000 0.468 419 R N 3.277 123.635 120.500 -0.237 0.000 2.476 419 R HA 0.175 4.518 4.340 0.005 0.000 0.305 419 R C -0.085 176.145 176.300 -0.117 0.000 0.965 419 R CA -0.486 55.500 56.100 -0.190 0.000 0.867 419 R CB 0.619 30.769 30.300 -0.251 0.000 1.176 419 R HN 0.397 nan 8.270 nan 0.000 0.447 420 N N 2.407 121.062 118.700 -0.076 0.000 2.373 420 N HA 0.080 4.823 4.740 0.005 0.000 0.181 420 N C 0.679 176.167 175.510 -0.037 0.000 1.082 420 N CA 1.012 54.032 53.050 -0.050 0.000 0.885 420 N CB 0.867 39.333 38.487 -0.034 0.000 0.977 420 N HN 0.938 nan 8.380 nan 0.000 0.462 421 G N 1.928 110.706 108.800 -0.036 0.000 2.147 421 G HA2 -0.244 3.719 3.960 0.005 0.000 0.244 421 G HA3 -0.244 3.719 3.960 0.005 0.000 0.244 421 G C -0.086 174.814 174.900 -0.000 0.000 1.005 421 G CA 0.585 45.675 45.100 -0.017 0.000 0.713 421 G HN 0.510 nan 8.290 nan 0.000 0.515 422 D N -0.248 120.154 120.400 0.004 0.000 2.501 422 D HA 0.428 5.071 4.640 0.005 0.000 0.224 422 D C 1.320 177.638 176.300 0.029 0.000 1.202 422 D CA 0.345 54.353 54.000 0.013 0.000 0.829 422 D CB -0.232 40.572 40.800 0.007 0.000 1.023 422 D HN 0.634 nan 8.370 nan 0.000 0.499 423 G N 0.371 109.197 108.800 0.043 0.000 2.653 423 G HA2 0.389 4.352 3.960 0.005 0.000 0.265 423 G HA3 0.389 4.352 3.960 0.005 0.000 0.265 423 G C -0.094 174.843 174.900 0.061 0.000 1.237 423 G CA -0.559 44.584 45.100 0.072 0.000 0.946 423 G HN 0.160 nan 8.290 nan 0.000 0.522 424 I N 1.102 121.712 120.570 0.067 0.000 2.312 424 I HA 0.372 4.545 4.170 0.005 0.000 0.290 424 I C 0.597 176.731 176.117 0.029 0.000 1.008 424 I CA -0.783 60.534 61.300 0.028 0.000 1.226 424 I CB 0.660 38.653 38.000 -0.012 0.000 1.371 424 I HN 0.438 nan 8.210 nan 0.000 0.468 425 A N 8.378 131.206 122.820 0.014 0.000 2.260 425 A HA 0.669 4.992 4.320 0.005 0.000 0.308 425 A C 0.037 177.603 177.584 -0.030 0.000 1.254 425 A CA -0.683 51.356 52.037 0.004 0.000 0.874 425 A CB 0.476 19.482 19.000 0.009 0.000 1.153 425 A HN 0.563 nan 8.150 nan 0.000 0.527 426 R N 1.993 122.462 120.500 -0.052 0.000 2.604 426 R HA 0.468 4.810 4.340 0.005 0.000 0.287 426 R C -0.883 175.367 176.300 -0.082 0.000 0.970 426 R CA -0.764 55.292 56.100 -0.073 0.000 0.946 426 R CB 1.030 31.273 30.300 -0.095 0.000 1.127 426 R HN 0.734 nan 8.270 nan 0.000 0.473 427 Q N 1.289 121.039 119.800 -0.084 0.000 2.267 427 Q HA 0.191 4.534 4.340 0.005 0.000 0.255 427 Q C 1.192 177.111 176.000 -0.136 0.000 0.923 427 Q CA -0.119 55.629 55.803 -0.093 0.000 0.925 427 Q CB 1.346 30.040 28.738 -0.072 0.000 1.195 427 Q HN 0.619 nan 8.270 nan 0.000 0.417 428 I N 2.368 122.841 120.570 -0.162 0.000 2.315 428 I HA -0.297 3.876 4.170 0.005 0.000 0.251 428 I C 0.874 176.868 176.117 -0.205 0.000 1.125 428 I CA 1.635 62.783 61.300 -0.253 0.000 1.392 428 I CB 0.200 38.068 38.000 -0.220 0.000 1.065 428 I HN 0.713 nan 8.210 nan 0.000 0.424 429 N N -0.326 118.294 118.700 -0.134 0.000 2.235 429 N HA 0.200 4.943 4.740 0.005 0.000 0.209 429 N C 0.477 175.934 175.510 -0.087 0.000 1.122 429 N CA 0.472 53.459 53.050 -0.105 0.000 0.845 429 N CB 0.329 38.768 38.487 -0.079 0.000 1.004 429 N HN 0.374 nan 8.380 nan 0.000 0.499 430 G N -1.163 107.583 108.800 -0.091 0.000 3.211 430 G HA2 0.663 4.626 3.960 0.005 0.000 0.262 430 G HA3 0.663 4.626 3.960 0.005 0.000 0.262 430 G C -0.121 174.738 174.900 -0.068 0.000 1.352 430 G CA -0.213 44.845 45.100 -0.069 0.000 1.004 430 G HN 0.425 nan 8.290 nan 0.000 0.559 431 G N -1.442 107.327 108.800 -0.050 0.000 2.781 431 G HA2 0.054 4.017 3.960 0.005 0.000 0.683 431 G HA3 0.054 4.017 3.960 0.005 0.000 0.683 431 G C -0.177 174.710 174.900 -0.021 0.000 1.390 431 G CA -0.411 44.666 45.100 -0.038 0.000 0.850 431 G HN 0.897 nan 8.290 nan 0.000 0.557 432 I N 1.725 122.299 120.570 0.007 0.000 2.668 432 I HA 0.335 4.508 4.170 0.005 0.000 0.285 432 I C 1.874 178.004 176.117 0.022 0.000 1.168 432 I CA 2.024 63.342 61.300 0.030 0.000 1.424 432 I CB -0.289 37.772 38.000 0.103 0.000 1.377 432 I HN 2.302 nan 8.210 nan 0.000 0.560 433 G N 4.755 113.566 108.800 0.020 0.000 2.157 433 G HA2 -0.172 3.791 3.960 0.005 0.000 0.248 433 G HA3 -0.172 3.791 3.960 0.005 0.000 0.248 433 G C 0.548 175.442 174.900 -0.010 0.000 0.979 433 G CA 0.057 45.169 45.100 0.020 0.000 0.650 433 G HN 1.068 nan 8.290 nan 0.000 0.529 434 A N -0.158 122.645 122.820 -0.029 0.000 2.546 434 A HA 0.623 4.945 4.320 0.005 0.000 0.243 434 A C 2.019 179.564 177.584 -0.064 0.000 1.063 434 A CA 1.938 53.941 52.037 -0.056 0.000 0.757 434 A CB -0.070 18.895 19.000 -0.060 0.000 0.991 434 A HN 2.399 nan 8.150 nan 0.000 0.503 435 G N 1.461 110.203 108.800 -0.098 0.000 2.141 435 G HA2 -0.206 3.757 3.960 0.005 0.000 0.242 435 G HA3 -0.206 3.757 3.960 0.005 0.000 0.242 435 G C 0.612 175.387 174.900 -0.209 0.000 0.982 435 G CA 1.169 46.186 45.100 -0.138 0.000 0.662 435 G HN 2.075 nan 8.290 nan 0.000 0.527 436 T N -2.135 112.323 114.554 -0.159 0.000 3.176 436 T HA 0.590 4.943 4.350 0.005 0.000 0.263 436 T C 0.492 175.091 174.700 -0.169 0.000 1.021 436 T CA 0.280 62.312 62.100 -0.114 0.000 0.905 436 T CB 1.048 69.969 68.868 0.087 0.000 1.057 436 T HN 0.562 nan 8.240 nan 0.000 0.558 437 V N 2.062 121.792 119.914 -0.306 0.000 2.481 437 V HA 0.579 4.702 4.120 0.005 0.000 0.286 437 V C -0.752 175.119 176.094 -0.372 0.000 1.042 437 V CA -0.787 61.421 62.300 -0.153 0.000 0.928 437 V CB 0.656 32.442 31.823 -0.061 0.000 0.986 437 V HN 0.457 nan 8.190 nan 0.000 0.462 438 F N 1.798 121.778 119.950 0.051 0.000 2.529 438 F HA 0.413 4.943 4.527 0.005 0.000 0.320 438 F C 0.337 176.164 175.800 0.044 0.000 1.118 438 F CA -0.668 57.364 58.000 0.053 0.000 0.915 438 F CB 1.593 40.637 39.000 0.073 0.000 1.161 438 F HN 0.460 nan 8.300 nan 0.000 0.445 439 E N 3.129 123.443 120.200 0.190 0.000 2.392 439 E HA 0.150 4.503 4.350 0.005 0.000 0.264 439 E C -0.373 176.302 176.600 0.125 0.000 1.024 439 E CA -0.412 56.056 56.400 0.113 0.000 0.903 439 E CB 0.711 30.453 29.700 0.070 0.000 0.963 439 E HN 0.551 nan 8.360 nan 0.000 0.432 440 R N 3.310 123.839 120.500 0.048 0.000 2.340 440 R HA 0.132 4.475 4.340 0.005 0.000 0.300 440 R C -0.425 175.926 176.300 0.084 0.000 1.069 440 R CA -0.616 55.520 56.100 0.059 0.000 0.984 440 R CB 0.584 30.831 30.300 -0.088 0.000 1.003 440 R HN 0.483 nan 8.270 nan 0.000 0.459 441 D N 1.454 121.966 120.400 0.187 0.000 2.411 441 D HA -0.073 4.570 4.640 0.005 0.000 0.251 441 D C 1.273 177.659 176.300 0.144 0.000 1.201 441 D CA -0.258 53.819 54.000 0.129 0.000 0.996 441 D CB 0.622 41.506 40.800 0.139 0.000 1.101 441 D HN 0.523 nan 8.370 nan 0.000 0.504 442 E N 0.907 121.157 120.200 0.083 0.000 2.160 442 E HA -0.213 4.140 4.350 0.005 0.000 0.195 442 E C 0.190 176.961 176.600 0.284 0.000 0.991 442 E CA 1.178 57.647 56.400 0.116 0.000 0.810 442 E CB 0.061 29.798 29.700 0.061 0.000 0.742 442 E HN 0.505 nan 8.360 nan 0.000 0.466 443 D N -0.868 119.662 120.400 0.215 0.000 2.388 443 D HA -0.084 4.559 4.640 0.005 0.000 0.221 443 D C 0.360 176.780 176.300 0.200 0.000 1.133 443 D CA -0.639 53.464 54.000 0.171 0.000 0.831 443 D CB -1.328 39.515 40.800 0.071 0.000 0.962 443 D HN 0.148 nan 8.370 nan 0.000 0.502 444 Y N 1.529 121.957 120.300 0.214 0.000 2.811 444 Y HA 0.149 4.702 4.550 0.005 0.000 0.334 444 Y C 0.139 176.101 175.900 0.102 0.000 1.247 444 Y CA 0.297 58.504 58.100 0.178 0.000 1.526 444 Y CB 0.439 39.058 38.460 0.265 0.000 1.284 444 Y HN -0.069 nan 8.280 nan 0.000 0.586 445 M N 5.504 124.754 119.600 -0.584 0.000 2.433 445 M HA 0.650 5.133 4.480 0.005 0.000 0.290 445 M C -2.001 173.955 176.300 -0.575 0.000 1.173 445 M CA -0.608 54.478 55.300 -0.357 0.000 0.905 445 M CB 2.077 34.624 32.600 -0.088 0.000 1.692 445 M HN 0.737 nan 8.290 nan 0.000 0.462 446 A N 5.718 128.332 122.820 -0.344 0.000 2.411 446 A HA 0.778 5.101 4.320 0.005 0.000 0.285 446 A C -2.685 174.746 177.584 -0.255 0.000 1.129 446 A CA -0.993 50.819 52.037 -0.374 0.000 0.736 446 A CB 1.069 19.686 19.000 -0.639 0.000 1.186 446 A HN 0.508 nan 8.150 nan 0.000 0.445 447 P HA 0.303 nan 4.420 nan 0.000 0.212 447 P C -0.338 176.891 177.300 -0.119 0.000 1.816 447 P CA 0.109 63.120 63.100 -0.147 0.000 0.944 447 P CB -0.276 31.327 31.700 -0.161 0.000 1.896 448 V N -3.271 116.576 119.914 -0.112 0.000 3.159 448 V HA 0.626 4.748 4.120 0.005 0.000 0.308 448 V C -0.113 175.949 176.094 -0.053 0.000 1.190 448 V CA -0.876 61.372 62.300 -0.087 0.000 1.037 448 V CB 1.452 33.220 31.823 -0.091 0.000 1.060 448 V HN -0.062 nan 8.190 nan 0.000 0.437 449 T N 1.886 116.389 114.554 -0.085 0.000 2.918 449 T HA 0.572 4.925 4.350 0.005 0.000 0.302 449 T C 0.783 175.423 174.700 -0.100 0.000 1.045 449 T CA 0.820 62.865 62.100 -0.092 0.000 1.114 449 T CB 0.904 69.660 68.868 -0.186 0.000 0.965 449 T HN 2.506 nan 8.240 nan 0.000 0.540 450 A N 1.526 124.340 122.820 -0.011 0.000 2.914 450 A HA -0.170 4.153 4.320 0.005 0.000 0.280 450 A C 0.025 177.684 177.584 0.126 0.000 1.447 450 A CA 0.731 52.794 52.037 0.042 0.000 0.759 450 A CB -2.583 16.365 19.000 -0.088 0.000 1.034 450 A HN 1.000 nan 8.150 nan 0.000 0.529 451 H N -1.636 117.467 119.070 0.056 0.000 2.457 451 H HA 0.646 5.204 4.556 0.005 0.000 0.335 451 H C 0.482 175.896 175.328 0.143 0.000 1.115 451 H CA -0.094 56.014 56.048 0.101 0.000 1.219 451 H CB 0.478 30.289 29.762 0.081 0.000 1.471 451 H HN 0.419 nan 8.280 nan 0.000 0.491 452 F N 3.036 122.759 119.950 -0.379 0.000 2.147 452 F HA 0.295 4.825 4.527 0.005 0.000 0.291 452 F C 1.281 176.974 175.800 -0.178 0.000 1.093 452 F CA 1.018 58.891 58.000 -0.211 0.000 1.263 452 F CB -0.271 38.627 39.000 -0.169 0.000 1.036 452 F HN 0.621 nan 8.300 nan 0.000 0.481 453 G N -1.139 107.477 108.800 -0.307 0.000 2.563 453 G HA2 0.044 4.007 3.960 0.005 0.000 0.283 453 G HA3 0.044 4.007 3.960 0.005 0.000 0.283 453 G C -1.354 173.510 174.900 -0.059 0.000 1.309 453 G CA -0.415 44.568 45.100 -0.194 0.000 1.022 453 G HN 0.344 nan 8.290 nan 0.000 0.501 454 Y N 0.661 120.894 120.300 -0.112 0.000 2.895 454 Y HA 0.098 4.651 4.550 0.005 0.000 0.334 454 Y C 0.049 176.021 175.900 0.120 0.000 1.261 454 Y CA 0.485 58.569 58.100 -0.026 0.000 1.560 454 Y CB 0.339 38.778 38.460 -0.034 0.000 1.253 454 Y HN 0.413 nan 8.280 nan 0.000 0.582 455 N N 5.278 123.693 118.700 -0.475 0.000 2.594 455 N HA 0.076 4.819 4.740 0.005 0.000 0.280 455 N C -2.001 173.275 175.510 -0.389 0.000 1.156 455 N CA -0.654 52.285 53.050 -0.185 0.000 0.831 455 N CB 0.371 38.889 38.487 0.053 0.000 1.379 455 N HN 0.676 nan 8.380 nan 0.000 0.536 456 N N 3.612 122.098 118.700 -0.358 0.000 2.508 456 N HA 0.111 4.854 4.740 0.005 0.000 0.253 456 N C 0.319 175.798 175.510 -0.051 0.000 1.145 456 N CA 0.018 52.935 53.050 -0.222 0.000 0.973 456 N CB 0.445 38.902 38.487 -0.050 0.000 1.305 456 N HN 0.301 nan 8.380 nan 0.000 0.506 457 V N 3.474 123.362 119.914 -0.043 0.000 3.174 457 V HA 0.019 4.142 4.120 0.005 0.000 0.254 457 V C 2.119 178.243 176.094 0.049 0.000 1.120 457 V CA 0.660 62.986 62.300 0.043 0.000 1.114 457 V CB -0.260 31.570 31.823 0.011 0.000 0.756 457 V HN 0.564 nan 8.190 nan 0.000 0.467 458 K N 0.957 121.352 120.400 -0.009 0.000 2.113 458 K HA -0.275 4.047 4.320 0.005 0.000 0.208 458 K C 2.227 178.798 176.600 -0.049 0.000 1.047 458 K CA 1.970 58.247 56.287 -0.016 0.000 0.928 458 K CB -0.134 32.353 32.500 -0.020 0.000 0.716 458 K HN 0.732 nan 8.250 nan 0.000 0.446 459 Q N -0.950 118.781 119.800 -0.115 0.000 2.439 459 Q HA -0.185 4.158 4.340 0.005 0.000 0.211 459 Q C 0.804 176.533 176.000 -0.452 0.000 0.978 459 Q CA 1.422 57.054 55.803 -0.286 0.000 0.897 459 Q CB -0.019 28.493 28.738 -0.376 0.000 0.956 459 Q HN 0.403 nan 8.270 nan 0.000 0.483 460 Y N -0.347 119.940 120.300 -0.022 0.000 2.609 460 Y HA 0.299 4.852 4.550 0.005 0.000 0.281 460 Y C 0.073 175.962 175.900 -0.019 0.000 1.132 460 Y CA -0.133 57.954 58.100 -0.023 0.000 1.264 460 Y CB 1.032 39.472 38.460 -0.032 0.000 1.325 460 Y HN 0.075 nan 8.280 nan 0.000 0.514 461 D N -0.673 119.803 120.400 0.127 0.000 2.300 461 D HA 0.181 4.824 4.640 0.005 0.000 0.218 461 D C 0.617 176.941 176.300 0.041 0.000 1.326 461 D CA 0.703 54.743 54.000 0.068 0.000 0.942 461 D CB 0.661 41.502 40.800 0.067 0.000 1.495 461 D HN 0.266 nan 8.370 nan 0.000 0.545 462 E N 2.016 122.229 120.200 0.022 0.000 2.171 462 E HA -0.169 4.184 4.350 0.005 0.000 0.197 462 E C 1.804 178.411 176.600 0.012 0.000 0.997 462 E CA 1.904 58.310 56.400 0.011 0.000 0.810 462 E CB -0.379 29.325 29.700 0.006 0.000 0.738 462 E HN 0.557 nan 8.360 nan 0.000 0.467 463 A N -0.580 122.249 122.820 0.015 0.000 2.121 463 A HA 0.259 4.582 4.320 0.005 0.000 0.218 463 A C 1.928 179.520 177.584 0.013 0.000 1.154 463 A CA 1.271 53.316 52.037 0.013 0.000 0.679 463 A CB 0.046 19.054 19.000 0.013 0.000 0.795 463 A HN 0.408 nan 8.150 nan 0.000 0.458 464 L N -0.777 120.456 121.223 0.016 0.000 2.700 464 L HA 0.138 4.481 4.340 0.005 0.000 0.234 464 L C 1.820 178.696 176.870 0.009 0.000 1.156 464 L CA 0.400 55.247 54.840 0.012 0.000 0.946 464 L CB 0.144 42.210 42.059 0.012 0.000 1.216 464 L HN 0.120 nan 8.230 nan 0.000 0.493 465 V N -0.436 119.482 119.914 0.007 0.000 2.343 465 V HA -0.281 3.842 4.120 0.005 0.000 0.247 465 V C 2.499 178.596 176.094 0.005 0.000 1.051 465 V CA 2.088 64.387 62.300 -0.001 0.000 1.036 465 V CB -0.706 31.113 31.823 -0.007 0.000 0.654 465 V HN 0.719 nan 8.190 nan 0.000 0.451 466 S N -0.516 115.191 115.700 0.011 0.000 2.423 466 S HA -0.092 4.380 4.470 0.005 0.000 0.231 466 S C 0.852 175.470 174.600 0.030 0.000 1.014 466 S CA 0.947 59.160 58.200 0.021 0.000 0.965 466 S CB -0.125 63.088 63.200 0.022 0.000 0.785 466 S HN 0.691 nan 8.310 nan 0.000 0.495 467 E N 1.069 121.283 120.200 0.022 0.000 3.132 467 E HA 0.252 4.605 4.350 0.005 0.000 0.241 467 E C -2.528 174.075 176.600 0.006 0.000 1.196 467 E CA -1.664 54.750 56.400 0.024 0.000 0.869 467 E CB 1.670 31.388 29.700 0.029 0.000 1.387 467 E HN 0.220 nan 8.360 nan 0.000 0.393 468 P HA -0.184 nan 4.420 nan 0.000 0.219 468 P C 1.592 178.867 177.300 -0.042 0.000 1.146 468 P CA 1.250 64.336 63.100 -0.024 0.000 0.808 468 P CB 0.215 31.897 31.700 -0.029 0.000 0.779 469 S N -0.761 114.918 115.700 -0.036 0.000 2.474 469 S HA -0.095 4.378 4.470 0.005 0.000 0.235 469 S C 1.709 176.284 174.600 -0.041 0.000 0.997 469 S CA 0.762 58.934 58.200 -0.048 0.000 0.949 469 S CB -0.862 62.312 63.200 -0.042 0.000 0.766 469 S HN 0.168 nan 8.310 nan 0.000 0.517 470 K N 0.696 121.079 120.400 -0.028 0.000 2.209 470 K HA 0.057 4.379 4.320 0.005 0.000 0.204 470 K C 1.634 178.209 176.600 -0.042 0.000 1.048 470 K CA 0.776 57.048 56.287 -0.024 0.000 0.940 470 K CB -0.345 32.149 32.500 -0.011 0.000 0.729 470 K HN 0.310 nan 8.250 nan 0.000 0.451 471 L N 0.767 121.952 121.223 -0.063 0.000 2.127 471 L HA -0.155 4.188 4.340 0.005 0.000 0.211 471 L C 1.980 178.789 176.870 -0.103 0.000 1.089 471 L CA 1.767 56.547 54.840 -0.100 0.000 0.757 471 L CB -0.689 41.279 42.059 -0.152 0.000 0.899 471 L HN 0.314 nan 8.230 nan 0.000 0.434 472 I N -5.008 115.511 120.570 -0.085 0.000 3.936 472 I HA 0.275 4.447 4.170 0.005 0.000 0.330 472 I C -0.542 175.543 176.117 -0.052 0.000 1.509 472 I CA -0.297 60.958 61.300 -0.076 0.000 1.126 472 I CB 0.326 38.276 38.000 -0.084 0.000 1.115 472 I HN -0.125 nan 8.210 nan 0.000 0.424 473 D N 2.461 122.836 120.400 -0.042 0.000 2.718 473 D HA -0.080 4.563 4.640 0.005 0.000 0.242 473 D C 0.670 176.957 176.300 -0.022 0.000 1.123 473 D CA 1.850 55.834 54.000 -0.026 0.000 0.690 473 D CB -1.291 39.494 40.800 -0.024 0.000 1.059 473 D HN 1.094 nan 8.370 nan 0.000 0.429 474 G N -1.411 107.375 108.800 -0.024 0.000 2.777 474 G HA2 0.006 3.969 3.960 0.005 0.000 0.686 474 G HA3 0.006 3.969 3.960 0.005 0.000 0.686 474 G C 0.692 175.572 174.900 -0.033 0.000 1.177 474 G CA -0.180 44.909 45.100 -0.019 0.000 0.775 474 G HN 1.177 nan 8.290 nan 0.000 0.613 475 C N 0.758 120.031 119.300 -0.046 0.000 2.464 475 C HA 0.885 5.348 4.460 0.005 0.000 0.398 475 C C 2.460 177.416 174.990 -0.056 0.000 1.451 475 C CA 0.726 59.706 59.018 -0.063 0.000 1.986 475 C CB 0.832 28.517 27.740 -0.092 0.000 2.004 475 C HN 1.938 nan 8.230 nan 0.000 0.530 476 T N -0.386 114.131 114.554 -0.061 0.000 2.897 476 T HA -0.137 4.216 4.350 0.005 0.000 0.271 476 T C 1.452 176.120 174.700 -0.052 0.000 1.084 476 T CA 1.600 63.676 62.100 -0.039 0.000 1.123 476 T CB -0.717 68.135 68.868 -0.028 0.000 0.865 476 T HN 0.675 nan 8.240 nan 0.000 0.496 477 L N -0.104 121.033 121.223 -0.143 0.000 2.201 477 L HA 0.061 4.404 4.340 0.005 0.000 0.212 477 L C 2.586 179.485 176.870 0.048 0.000 1.105 477 L CA 1.337 56.046 54.840 -0.219 0.000 0.775 477 L CB -0.441 41.175 42.059 -0.739 0.000 0.913 477 L HN 0.291 nan 8.230 nan 0.000 0.440 478 E N -1.059 119.161 120.200 0.034 0.000 2.389 478 E HA 0.067 4.420 4.350 0.005 0.000 0.199 478 E C -0.055 176.581 176.600 0.060 0.000 0.978 478 E CA 0.189 56.642 56.400 0.088 0.000 0.912 478 E CB 0.850 30.587 29.700 0.063 0.000 0.907 478 E HN 0.074 nan 8.360 nan 0.000 0.494 479 V N 2.063 121.996 119.914 0.031 0.000 2.383 479 V HA 0.177 4.300 4.120 0.005 0.000 0.264 479 V C -2.190 173.915 176.094 0.019 0.000 1.001 479 V CA -1.140 61.173 62.300 0.021 0.000 0.828 479 V CB 1.403 33.230 31.823 0.007 0.000 1.069 479 V HN -0.003 nan 8.190 nan 0.000 0.451 480 P HA -0.107 nan 4.420 nan 0.000 0.221 480 P C 1.166 178.479 177.300 0.022 0.000 1.145 480 P CA 1.027 64.145 63.100 0.029 0.000 0.795 480 P CB 0.444 32.159 31.700 0.025 0.000 0.775 481 E N -0.419 119.789 120.200 0.013 0.000 2.347 481 E HA -0.092 4.261 4.350 0.005 0.000 0.196 481 E C 1.546 178.155 176.600 0.016 0.000 1.008 481 E CA 0.789 57.196 56.400 0.011 0.000 0.852 481 E CB -0.553 29.149 29.700 0.004 0.000 0.783 481 E HN 0.307 nan 8.360 nan 0.000 0.505 482 K N 0.180 120.588 120.400 0.013 0.000 2.432 482 K HA 0.086 4.409 4.320 0.005 0.000 0.196 482 K C 0.160 176.773 176.600 0.022 0.000 1.038 482 K CA 0.085 56.378 56.287 0.011 0.000 0.986 482 K CB 0.109 32.608 32.500 -0.002 0.000 0.782 482 K HN 0.167 nan 8.250 nan 0.000 0.485 483 I N 2.124 122.716 120.570 0.037 0.000 2.618 483 I HA -0.059 4.114 4.170 0.005 0.000 0.284 483 I C 0.015 176.180 176.117 0.080 0.000 1.146 483 I CA -0.220 61.115 61.300 0.059 0.000 1.425 483 I CB 0.807 38.856 38.000 0.083 0.000 1.383 483 I HN -0.246 nan 8.210 nan 0.000 0.562 484 V N 7.836 127.794 119.914 0.073 0.000 2.385 484 V HA 0.075 4.198 4.120 0.005 0.000 0.269 484 V C -0.365 175.800 176.094 0.117 0.000 1.043 484 V CA -0.465 61.883 62.300 0.080 0.000 0.906 484 V CB 0.537 32.383 31.823 0.038 0.000 0.995 484 V HN 0.447 nan 8.190 nan 0.000 0.467 485 Y N 6.379 126.693 120.300 0.023 0.000 2.335 485 Y HA 0.577 5.129 4.550 0.005 0.000 0.339 485 Y C -0.253 175.661 175.900 0.024 0.000 0.987 485 Y CA -0.892 57.226 58.100 0.029 0.000 1.140 485 Y CB 0.852 39.334 38.460 0.036 0.000 1.173 485 Y HN 0.429 nan 8.280 nan 0.000 0.486 486 I N 6.455 126.718 120.570 -0.511 0.000 2.354 486 I HA 0.103 4.276 4.170 0.005 0.000 0.292 486 I C 0.448 176.217 176.117 -0.580 0.000 0.989 486 I CA -0.321 60.762 61.300 -0.361 0.000 1.188 486 I CB 1.474 39.349 38.000 -0.207 0.000 1.342 486 I HN 0.805 nan 8.210 nan 0.000 0.457 487 D N 4.668 124.912 120.400 -0.259 0.000 2.113 487 D HA -0.009 4.634 4.640 0.005 0.000 0.206 487 D C 0.085 176.334 176.300 -0.085 0.000 0.979 487 D CA 1.688 55.622 54.000 -0.111 0.000 0.862 487 D CB 0.682 41.531 40.800 0.081 0.000 1.013 487 D HN 0.471 nan 8.370 nan 0.000 0.455 488 E N -0.690 119.483 120.200 -0.044 0.000 2.390 488 E HA 0.270 4.623 4.350 0.005 0.000 0.277 488 E C -0.085 176.499 176.600 -0.028 0.000 0.939 488 E CA -0.372 56.013 56.400 -0.026 0.000 0.769 488 E CB 1.913 31.617 29.700 0.006 0.000 1.251 488 E HN 0.102 nan 8.360 nan 0.000 0.450 489 L N -0.077 121.130 121.223 -0.027 0.000 2.781 489 L HA 0.246 4.589 4.340 0.005 0.000 0.245 489 L C 0.305 177.165 176.870 -0.017 0.000 1.118 489 L CA 0.198 55.023 54.840 -0.025 0.000 0.918 489 L CB 0.659 42.697 42.059 -0.035 0.000 1.246 489 L HN 0.320 nan 8.230 nan 0.000 0.526 490 D N 0.559 120.953 120.400 -0.011 0.000 2.481 490 D HA 0.238 4.881 4.640 0.005 0.000 0.246 490 D C 0.738 177.038 176.300 -0.000 0.000 1.109 490 D CA 0.364 54.360 54.000 -0.007 0.000 0.845 490 D CB 2.159 42.955 40.800 -0.007 0.000 1.160 490 D HN 0.093 nan 8.370 nan 0.000 0.534 491 E N 2.972 123.172 120.200 -0.000 0.000 2.274 491 E HA -0.136 4.216 4.350 0.005 0.000 0.194 491 E C 1.150 177.751 176.600 0.002 0.000 0.996 491 E CA 1.237 57.639 56.400 0.003 0.000 0.840 491 E CB -0.618 29.084 29.700 0.002 0.000 0.772 491 E HN 0.666 nan 8.360 nan 0.000 0.491 492 N N -0.442 118.258 118.700 0.000 0.000 2.414 492 N HA 0.074 4.817 4.740 0.005 0.000 0.177 492 N C 0.123 175.631 175.510 -0.004 0.000 1.062 492 N CA 0.502 53.551 53.050 -0.002 0.000 0.890 492 N CB 0.700 39.186 38.487 -0.002 0.000 1.070 492 N HN 0.171 nan 8.380 nan 0.000 0.454 493 D N 0.832 121.231 120.400 -0.001 0.000 2.460 493 D HA 0.194 4.837 4.640 0.005 0.000 0.268 493 D C -1.325 174.980 176.300 0.009 0.000 1.153 493 D CA -0.448 53.552 54.000 -0.000 0.000 0.929 493 D CB -0.359 40.443 40.800 0.003 0.000 1.015 493 D HN 0.314 nan 8.370 nan 0.000 0.502 494 N N -0.407 118.297 118.700 0.007 0.000 3.046 494 N HA 0.052 4.795 4.740 0.005 0.000 0.243 494 N C -0.036 175.487 175.510 0.021 0.000 1.452 494 N CA -0.866 52.203 53.050 0.031 0.000 0.882 494 N CB 0.825 39.332 38.487 0.034 0.000 1.425 494 N HN -0.152 nan 8.380 nan 0.000 0.517 495 V N 0.438 120.392 119.914 0.066 0.000 2.594 495 V HA -0.185 3.938 4.120 0.005 0.000 0.253 495 V C 1.136 177.217 176.094 -0.021 0.000 1.069 495 V CA 1.874 64.183 62.300 0.014 0.000 1.082 495 V CB -0.946 30.936 31.823 0.097 0.000 0.680 495 V HN 0.648 nan 8.190 nan 0.000 0.469 496 N N 0.060 118.766 118.700 0.010 0.000 2.142 496 N HA -0.108 4.635 4.740 0.005 0.000 0.186 496 N C 1.753 177.254 175.510 -0.015 0.000 1.023 496 N CA 1.732 54.783 53.050 0.001 0.000 0.852 496 N CB -0.441 38.056 38.487 0.017 0.000 0.998 496 N HN 0.444 nan 8.380 nan 0.000 0.424 497 V N 1.632 121.537 119.914 -0.016 0.000 2.427 497 V HA -0.151 3.972 4.120 0.005 0.000 0.248 497 V C 2.514 178.582 176.094 -0.043 0.000 1.051 497 V CA 1.266 63.552 62.300 -0.023 0.000 1.048 497 V CB -0.418 31.394 31.823 -0.019 0.000 0.666 497 V HN 0.217 nan 8.190 nan 0.000 0.456 498 R N -0.552 119.907 120.500 -0.070 0.000 2.082 498 R HA -0.156 4.187 4.340 0.005 0.000 0.234 498 R C 2.444 178.687 176.300 -0.095 0.000 1.136 498 R CA 1.879 57.911 56.100 -0.113 0.000 0.935 498 R CB -0.302 29.891 30.300 -0.179 0.000 0.842 498 R HN 0.364 nan 8.270 nan 0.000 0.430 499 M N 0.504 120.053 119.600 -0.085 0.000 2.080 499 M HA -0.208 4.275 4.480 0.005 0.000 0.260 499 M C 2.159 178.442 176.300 -0.028 0.000 1.068 499 M CA 1.465 56.728 55.300 -0.062 0.000 1.109 499 M CB -1.019 31.548 32.600 -0.054 0.000 1.342 499 M HN 0.196 nan 8.290 nan 0.000 0.405 500 E N 1.186 121.373 120.200 -0.021 0.000 2.114 500 E HA -0.272 4.081 4.350 0.005 0.000 0.199 500 E C 1.690 178.292 176.600 0.003 0.000 1.008 500 E CA 1.897 58.293 56.400 -0.007 0.000 0.810 500 E CB -0.260 29.435 29.700 -0.007 0.000 0.739 500 E HN 0.627 nan 8.360 nan 0.000 0.456 501 E N -0.756 119.442 120.200 -0.003 0.000 2.209 501 E HA -0.135 4.218 4.350 0.005 0.000 0.196 501 E C 1.180 177.811 176.600 0.052 0.000 0.993 501 E CA 1.689 58.097 56.400 0.013 0.000 0.819 501 E CB 0.033 29.727 29.700 -0.009 0.000 0.745 501 E HN 0.362 nan 8.360 nan 0.000 0.477 502 T N -4.189 110.398 114.554 0.055 0.000 3.132 502 T HA 0.295 4.648 4.350 0.005 0.000 0.274 502 T C 1.445 176.235 174.700 0.149 0.000 1.011 502 T CA 0.259 62.441 62.100 0.137 0.000 0.899 502 T CB 0.733 69.649 68.868 0.080 0.000 1.089 502 T HN 0.085 nan 8.240 nan 0.000 0.543 503 K N 1.165 121.607 120.400 0.070 0.000 2.281 503 K HA 0.063 4.386 4.320 0.005 0.000 0.203 503 K C 2.117 178.727 176.600 0.017 0.000 1.046 503 K CA 1.760 58.069 56.287 0.037 0.000 0.938 503 K CB -1.660 30.846 32.500 0.010 0.000 0.737 503 K HN 0.825 nan 8.250 nan 0.000 0.458 504 E N -0.721 119.474 120.200 -0.008 0.000 2.482 504 E HA 0.212 4.565 4.350 0.005 0.000 0.196 504 E C 1.390 177.797 176.600 -0.320 0.000 1.047 504 E CA 0.701 56.999 56.400 -0.170 0.000 0.869 504 E CB -0.570 28.977 29.700 -0.254 0.000 0.836 504 E HN 0.770 nan 8.360 nan 0.000 0.520 505 F N -0.822 119.122 119.950 -0.010 0.000 2.678 505 F HA 0.369 4.899 4.527 0.004 0.000 0.305 505 F C 1.317 177.108 175.800 -0.015 0.000 1.090 505 F CA -0.280 57.714 58.000 -0.010 0.000 1.272 505 F CB 0.867 39.862 39.000 -0.009 0.000 1.060 505 F HN -0.047 nan 8.300 nan 0.000 0.576 510 M N 2.366 121.930 119.600 -0.059 0.000 2.242 510 M HA 0.596 5.078 4.480 0.005 0.000 0.344 510 M C -0.044 176.338 176.300 0.137 0.000 1.140 510 M CA -0.525 54.749 55.300 -0.045 0.000 1.160 510 M CB 0.632 33.049 32.600 -0.304 0.000 1.491 510 M HN 0.580 nan 8.290 nan 0.000 0.459 511 I N 2.437 123.149 120.570 0.237 0.000 2.913 511 I HA 0.567 4.740 4.170 0.005 0.000 0.302 511 I C -1.345 174.916 176.117 0.240 0.000 1.246 511 I CA -0.539 60.922 61.300 0.270 0.000 1.010 511 I CB 2.405 40.480 38.000 0.125 0.000 1.259 511 I HN 0.796 nan 8.210 nan 0.000 0.434 512 K N 4.793 125.250 120.400 0.094 0.000 2.548 512 K HA 0.681 5.004 4.320 0.005 0.000 0.282 512 K C -3.094 173.447 176.600 -0.099 0.000 1.006 512 K CA -1.583 54.694 56.287 -0.017 0.000 0.892 512 K CB 1.152 33.615 32.500 -0.062 0.000 1.499 512 K HN 0.139 nan 8.250 nan 0.000 0.433 513 P HA 0.069 nan 4.420 nan 0.000 0.270 513 P C -1.300 175.885 177.300 -0.191 0.000 1.223 513 P CA -0.084 62.932 63.100 -0.140 0.000 0.785 513 P CB 0.489 32.096 31.700 -0.155 0.000 0.923 514 E N -0.736 119.351 120.200 -0.188 0.000 2.413 514 E HA 0.411 4.764 4.350 0.005 0.000 0.277 514 E C -0.445 175.952 176.600 -0.337 0.000 0.958 514 E CA -0.949 55.312 56.400 -0.231 0.000 0.779 514 E CB 1.324 30.952 29.700 -0.119 0.000 1.278 514 E HN 0.118 nan 8.360 nan 0.000 0.456 515 V N -1.833 117.753 119.914 -0.547 0.000 3.455 515 V HA 0.245 4.368 4.120 0.005 0.000 0.250 515 V C 1.141 176.711 176.094 -0.874 0.000 1.230 515 V CA 1.340 63.129 62.300 -0.851 0.000 1.105 515 V CB -0.402 30.381 31.823 -1.734 0.000 0.850 515 V HN 0.909 nan 8.190 nan 0.000 0.461 516 E N -2.644 117.146 120.200 -0.683 0.000 2.652 516 E HA 0.115 4.468 4.350 0.005 0.000 0.197 516 E C -0.123 176.450 176.600 -0.044 0.000 0.936 516 E CA -0.420 55.614 56.400 -0.609 0.000 1.638 516 E CB 0.330 29.699 29.700 -0.553 0.000 1.884 516 E HN 0.454 nan 8.360 nan 0.000 1.005 517 W N 2.743 123.958 121.300 -0.143 0.000 2.736 517 W HA 0.463 5.126 4.660 0.005 0.000 0.335 517 W C -0.062 176.395 176.519 -0.103 0.000 1.059 517 W CA -1.756 55.538 57.345 -0.085 0.000 1.226 517 W CB 1.218 30.622 29.460 -0.092 0.000 1.416 517 W HN 0.051 nan 8.180 nan 0.000 0.505 518 Q N 1.737 121.617 119.800 0.134 0.000 2.436 518 Q HA 0.210 4.552 4.340 0.005 0.000 0.326 518 Q C 1.038 176.958 176.000 -0.133 0.000 1.079 518 Q CA 1.820 57.617 55.803 -0.010 0.000 1.049 518 Q CB 0.222 28.947 28.738 -0.022 0.000 1.047 518 Q HN 0.691 nan 8.270 nan 0.000 0.386 519 A N 3.784 126.441 122.820 -0.272 0.000 2.832 519 A HA -0.263 4.060 4.320 0.005 0.000 0.280 519 A C 0.674 178.055 177.584 -0.338 0.000 1.464 519 A CA 1.241 52.959 52.037 -0.532 0.000 0.804 519 A CB -2.106 16.152 19.000 -1.238 0.000 1.020 519 A HN 1.049 nan 8.150 nan 0.000 0.563 520 D N -1.555 118.730 120.400 -0.191 0.000 2.310 520 D HA 0.282 4.925 4.640 0.005 0.000 0.212 520 D C 1.656 177.834 176.300 -0.203 0.000 0.965 520 D CA 1.394 55.306 54.000 -0.147 0.000 0.879 520 D CB -0.670 40.063 40.800 -0.111 0.000 0.921 520 D HN 1.929 nan 8.370 nan 0.000 0.510 521 G N -0.891 107.763 108.800 -0.244 0.000 2.159 521 G HA2 -0.275 3.688 3.960 0.005 0.000 0.256 521 G HA3 -0.275 3.688 3.960 0.005 0.000 0.256 521 G C 0.347 175.097 174.900 -0.249 0.000 0.977 521 G CA 0.510 45.465 45.100 -0.242 0.000 0.652 521 G HN 0.512 nan 8.290 nan 0.000 0.531 522 T N 0.916 115.290 114.554 -0.300 0.000 2.884 522 T HA 0.551 4.904 4.350 0.005 0.000 0.298 522 T C 0.642 175.122 174.700 -0.367 0.000 0.998 522 T CA 0.381 62.278 62.100 -0.338 0.000 1.124 522 T CB 1.997 70.584 68.868 -0.469 0.000 0.931 522 T HN 1.433 nan 8.240 nan 0.000 0.531 523 V N 1.521 121.291 119.914 -0.240 0.000 3.141 523 V HA 0.874 4.997 4.120 0.005 0.000 0.312 523 V C -1.124 174.971 176.094 0.001 0.000 1.157 523 V CA -1.356 60.850 62.300 -0.157 0.000 1.041 523 V CB 1.945 33.718 31.823 -0.083 0.000 1.071 523 V HN 0.651 nan 8.190 nan 0.000 0.441 524 L N 2.040 123.335 121.223 0.119 0.000 2.341 524 L HA 0.813 5.156 4.340 0.005 0.000 0.278 524 L C -1.070 175.880 176.870 0.133 0.000 1.005 524 L CA -0.538 54.446 54.840 0.241 0.000 0.818 524 L CB 1.400 43.709 42.059 0.417 0.000 1.259 524 L HN 0.852 nan 8.230 nan 0.000 0.418 525 L N 4.489 125.776 121.223 0.107 0.000 2.333 525 L HA 0.699 5.042 4.340 0.005 0.000 0.280 525 L C -0.697 176.209 176.870 0.059 0.000 1.004 525 L CA 0.259 55.142 54.840 0.071 0.000 0.820 525 L CB 1.897 43.991 42.059 0.058 0.000 1.247 525 L HN 0.710 nan 8.230 nan 0.000 0.416 526 T N 6.769 121.353 114.554 0.050 0.000 2.807 526 T HA 0.756 5.109 4.350 0.005 0.000 0.279 526 T C -0.315 174.403 174.700 0.030 0.000 0.993 526 T CA -0.477 61.647 62.100 0.040 0.000 0.970 526 T CB 1.219 70.116 68.868 0.049 0.000 0.950 526 T HN 0.708 nan 8.240 nan 0.000 0.441 527 M N 1.739 121.353 119.600 0.023 0.000 2.622 527 M HA 0.775 5.258 4.480 0.005 0.000 0.276 527 M C -1.899 174.444 176.300 0.071 0.000 1.265 527 M CA -1.212 54.101 55.300 0.021 0.000 0.850 527 M CB 2.242 34.809 32.600 -0.055 0.000 1.720 527 M HN 0.502 nan 8.290 nan 0.000 0.465 528 F N 2.248 122.160 119.950 -0.064 0.000 2.444 528 F HA 0.776 5.305 4.527 0.004 0.000 0.342 528 F C -2.130 173.631 175.800 -0.066 0.000 1.121 528 F CA -0.672 57.298 58.000 -0.050 0.000 0.997 528 F CB 1.310 40.288 39.000 -0.037 0.000 1.130 528 F HN 0.576 nan 8.300 nan 0.000 0.454 529 L N 7.987 128.747 121.223 -0.771 0.000 2.346 529 L HA 0.494 4.837 4.340 0.005 0.000 0.276 529 L C -2.154 174.156 176.870 -0.933 0.000 1.006 529 L CA -1.972 52.499 54.840 -0.615 0.000 0.817 529 L CB 2.278 44.171 42.059 -0.278 0.000 1.272 529 L HN 0.476 nan 8.230 nan 0.000 0.421 530 P HA 0.114 nan 4.420 nan 0.000 0.220 530 P C -0.410 176.813 177.300 -0.129 0.000 1.806 530 P CA 0.119 63.077 63.100 -0.236 0.000 0.976 530 P CB 0.427 32.176 31.700 0.081 0.000 1.952 531 T N -0.664 113.782 114.554 -0.180 0.000 2.731 531 T HA 0.422 4.775 4.350 0.005 0.000 0.300 531 T C -0.420 174.237 174.700 -0.072 0.000 1.283 531 T CA -0.290 61.764 62.100 -0.077 0.000 1.005 531 T CB 0.949 69.794 68.868 -0.038 0.000 1.420 531 T HN 0.126 nan 8.240 nan 0.000 0.503 532 S N 1.144 116.828 115.700 -0.026 0.000 2.580 532 S HA 0.238 4.711 4.470 0.005 0.000 0.266 532 S C 1.356 175.949 174.600 -0.012 0.000 1.354 532 S CA -0.246 57.947 58.200 -0.013 0.000 1.008 532 S CB 0.484 63.688 63.200 0.006 0.000 0.898 532 S HN 0.878 nan 8.310 nan 0.000 0.555 533 K N 0.673 121.070 120.400 -0.004 0.000 2.063 533 K HA -0.172 4.151 4.320 0.005 0.000 0.208 533 K C 2.472 179.086 176.600 0.024 0.000 1.048 533 K CA 1.448 57.732 56.287 -0.004 0.000 0.928 533 K CB -0.185 32.315 32.500 0.001 0.000 0.713 533 K HN 0.724 nan 8.250 nan 0.000 0.442 534 R N 0.102 120.640 120.500 0.062 0.000 2.062 534 R HA -0.063 4.280 4.340 0.005 0.000 0.229 534 R C 2.122 178.556 176.300 0.223 0.000 1.128 534 R CA 1.165 57.351 56.100 0.145 0.000 0.960 534 R CB -0.131 30.259 30.300 0.151 0.000 0.855 534 R HN 0.031 nan 8.270 nan 0.000 0.432 535 V N 1.415 121.413 119.914 0.139 0.000 2.287 535 V HA -0.273 3.850 4.120 0.005 0.000 0.248 535 V C 2.500 178.671 176.094 0.127 0.000 1.053 535 V CA 2.006 64.388 62.300 0.136 0.000 1.027 535 V CB -0.875 30.987 31.823 0.064 0.000 0.646 535 V HN 0.569 nan 8.190 nan 0.000 0.447 536 A N -0.350 122.501 122.820 0.052 0.000 1.892 536 A HA -0.332 3.991 4.320 0.005 0.000 0.218 536 A C 2.290 179.882 177.584 0.015 0.000 1.188 536 A CA 2.304 54.343 52.037 0.004 0.000 0.631 536 A CB -0.607 18.348 19.000 -0.074 0.000 0.822 536 A HN 0.670 nan 8.150 nan 0.000 0.447 537 E N -1.173 119.018 120.200 -0.014 0.000 2.038 537 E HA -0.218 4.135 4.350 0.005 0.000 0.195 537 E C 1.700 178.190 176.600 -0.183 0.000 1.000 537 E CA 1.676 57.991 56.400 -0.143 0.000 0.803 537 E CB -0.278 29.264 29.700 -0.264 0.000 0.750 537 E HN 0.618 nan 8.360 nan 0.000 0.448 538 F N 0.476 120.436 119.950 0.017 0.000 2.259 538 F HA 0.021 4.550 4.527 0.004 0.000 0.298 538 F C 2.381 178.198 175.800 0.029 0.000 1.088 538 F CA 0.866 58.876 58.000 0.017 0.000 1.358 538 F CB -0.411 38.591 39.000 0.004 0.000 1.040 538 F HN 0.132 nan 8.300 nan 0.000 0.505 539 A N 0.110 123.052 122.820 0.203 0.000 1.933 539 A HA -0.070 4.253 4.320 0.005 0.000 0.218 539 A C 2.407 180.159 177.584 0.281 0.000 1.175 539 A CA 1.681 53.829 52.037 0.185 0.000 0.628 539 A CB -1.207 17.925 19.000 0.220 0.000 0.814 539 A HN 0.294 nan 8.150 nan 0.000 0.444 540 A N -0.041 122.912 122.820 0.221 0.000 1.930 540 A HA -0.027 4.296 4.320 0.005 0.000 0.217 540 A C 1.956 179.639 177.584 0.165 0.000 1.175 540 A CA 1.493 53.662 52.037 0.220 0.000 0.627 540 A CB -0.470 18.568 19.000 0.064 0.000 0.815 540 A HN 0.385 nan 8.150 nan 0.000 0.443 541 I N 0.492 121.105 120.570 0.072 0.000 2.194 541 I HA -0.205 3.968 4.170 0.005 0.000 0.246 541 I C 2.341 178.496 176.117 0.064 0.000 1.093 541 I CA 1.431 62.758 61.300 0.044 0.000 1.355 541 I CB -1.409 36.595 38.000 0.007 0.000 1.046 541 I HN 0.344 nan 8.210 nan 0.000 0.413 542 E N 0.217 120.446 120.200 0.049 0.000 2.072 542 E HA -0.167 4.186 4.350 0.005 0.000 0.191 542 E C 2.303 178.855 176.600 -0.080 0.000 0.985 542 E CA 1.059 57.433 56.400 -0.043 0.000 0.801 542 E CB -0.474 29.150 29.700 -0.126 0.000 0.750 542 E HN 0.402 nan 8.360 nan 0.000 0.452 543 F N 1.312 121.278 119.950 0.027 0.000 2.161 543 F HA -0.164 4.366 4.527 0.003 0.000 0.300 543 F C 2.448 178.264 175.800 0.027 0.000 1.089 543 F CA 1.140 59.156 58.000 0.026 0.000 1.282 543 F CB -0.641 38.373 39.000 0.023 0.000 1.010 543 F HN 0.006 nan 8.300 nan 0.000 0.485 544 A N 0.043 122.980 122.820 0.196 0.000 1.902 544 A HA -0.164 4.159 4.320 0.005 0.000 0.217 544 A C 2.318 179.952 177.584 0.084 0.000 1.181 544 A CA 1.361 53.470 52.037 0.120 0.000 0.623 544 A CB -0.426 18.623 19.000 0.082 0.000 0.818 544 A HN 0.187 nan 8.150 nan 0.000 0.443 545 K N 0.239 120.675 120.400 0.061 0.000 2.057 545 K HA -0.113 4.210 4.320 0.005 0.000 0.207 545 K C 1.671 178.299 176.600 0.046 0.000 1.049 545 K CA 1.454 57.766 56.287 0.041 0.000 0.931 545 K CB -0.299 32.214 32.500 0.021 0.000 0.714 545 K HN 0.485 nan 8.250 nan 0.000 0.440 546 K N 0.323 120.748 120.400 0.041 0.000 2.439 546 K HA 0.077 4.400 4.320 0.005 0.000 0.197 546 K C 1.653 178.303 176.600 0.084 0.000 1.041 546 K CA 0.552 56.865 56.287 0.044 0.000 0.970 546 K CB 0.020 32.525 32.500 0.009 0.000 0.773 546 K HN 0.118 nan 8.250 nan 0.000 0.479 547 M N 0.722 120.386 119.600 0.106 0.000 2.505 547 M HA 0.073 4.556 4.480 0.005 0.000 0.230 547 M C -0.427 175.951 176.300 0.129 0.000 1.153 547 M CA 0.093 55.464 55.300 0.119 0.000 0.997 547 M CB 0.283 32.955 32.600 0.121 0.000 1.606 547 M HN 0.076 nan 8.290 nan 0.000 0.481 548 N N 0.210 118.978 118.700 0.113 0.000 2.878 548 N HA -0.131 4.612 4.740 0.005 0.000 0.247 548 N C -0.600 174.957 175.510 0.079 0.000 1.021 548 N CA 0.673 53.802 53.050 0.132 0.000 0.873 548 N CB -1.531 37.110 38.487 0.257 0.000 1.128 548 N HN 0.380 nan 8.380 nan 0.000 0.571 549 L N 1.013 122.264 121.223 0.046 0.000 2.418 549 L HA 0.235 4.578 4.340 0.005 0.000 0.265 549 L C 1.042 177.910 176.870 -0.003 0.000 1.143 549 L CA 0.110 54.947 54.840 -0.004 0.000 0.809 549 L CB 0.649 42.711 42.059 0.004 0.000 1.124 549 L HN -0.008 nan 8.230 nan 0.000 0.456 550 E N 1.106 121.288 120.200 -0.029 0.000 2.299 550 E HA 0.236 4.589 4.350 0.005 0.000 0.260 550 E C -0.586 176.002 176.600 -0.019 0.000 0.944 550 E CA -0.833 55.557 56.400 -0.017 0.000 0.815 550 E CB 1.368 31.054 29.700 -0.024 0.000 1.252 550 E HN 0.460 nan 8.360 nan 0.000 0.418 551 E N -0.072 120.123 120.200 -0.009 0.000 2.199 551 E HA -0.173 4.180 4.350 0.005 0.000 0.208 551 E C -0.708 175.889 176.600 -0.005 0.000 1.310 551 E CA 0.003 56.399 56.400 -0.007 0.000 0.709 551 E CB -1.066 28.624 29.700 -0.016 0.000 1.127 551 E HN 0.142 nan 8.360 nan 0.000 0.354 552 V N 1.457 121.372 119.914 0.001 0.000 2.521 552 V HA 0.047 4.170 4.120 0.005 0.000 0.286 552 V C 0.720 176.811 176.094 -0.005 0.000 1.034 552 V CA 0.676 62.978 62.300 0.003 0.000 1.045 552 V CB 0.959 32.789 31.823 0.011 0.000 0.974 552 V HN 0.187 nan 8.190 nan 0.000 0.480 553 E N 3.442 123.640 120.200 -0.003 0.000 2.210 553 E HA 0.456 4.808 4.350 0.005 0.000 0.266 553 E C -1.206 175.377 176.600 -0.029 0.000 0.883 553 E CA -0.841 55.547 56.400 -0.019 0.000 0.761 553 E CB 2.596 32.291 29.700 -0.008 0.000 1.156 553 E HN 0.426 nan 8.360 nan 0.000 0.412 554 V N 4.680 124.554 119.914 -0.068 0.000 2.508 554 V HA 0.072 4.195 4.120 0.005 0.000 0.281 554 V C 1.089 177.141 176.094 -0.069 0.000 1.041 554 V CA 0.400 62.653 62.300 -0.077 0.000 1.016 554 V CB 0.322 32.065 31.823 -0.132 0.000 0.984 554 V HN 0.687 nan 8.190 nan 0.000 0.478 555 I N 0.929 121.462 120.570 -0.061 0.000 4.327 555 I HA 0.514 4.686 4.170 0.005 0.000 0.331 555 I C 0.358 176.420 176.117 -0.092 0.000 1.348 555 I CA 0.061 61.314 61.300 -0.078 0.000 1.152 555 I CB 0.653 38.601 38.000 -0.087 0.000 1.151 555 I HN 0.590 nan 8.210 nan 0.000 0.410 556 N N 1.667 120.321 118.700 -0.077 0.000 2.367 556 N HA 0.516 5.259 4.740 0.005 0.000 0.278 556 N C -1.612 173.864 175.510 -0.056 0.000 1.117 556 N CA -0.459 52.547 53.050 -0.072 0.000 0.867 556 N CB 1.976 40.415 38.487 -0.080 0.000 1.649 556 N HN 0.140 nan 8.380 nan 0.000 0.479 557 R N 1.425 121.896 120.500 -0.049 0.000 2.538 557 R HA 0.495 4.838 4.340 0.005 0.000 0.292 557 R C -1.144 175.140 176.300 -0.026 0.000 1.008 557 R CA -0.668 55.408 56.100 -0.039 0.000 0.896 557 R CB 2.055 32.328 30.300 -0.045 0.000 1.187 557 R HN 0.446 nan 8.270 nan 0.000 0.440 558 E N 1.949 122.142 120.200 -0.012 0.000 2.263 558 E HA 0.250 4.603 4.350 0.005 0.000 0.268 558 E C -0.926 175.684 176.600 0.016 0.000 0.884 558 E CA -0.889 55.512 56.400 0.001 0.000 0.766 558 E CB 2.988 32.691 29.700 0.006 0.000 1.196 558 E HN 0.137 nan 8.360 nan 0.000 0.416 559 V N 5.143 125.067 119.914 0.016 0.000 2.470 559 V HA -0.015 4.108 4.120 0.005 0.000 0.276 559 V C 1.153 177.278 176.094 0.051 0.000 1.040 559 V CA 0.155 62.471 62.300 0.026 0.000 1.008 559 V CB 0.682 32.515 31.823 0.017 0.000 0.990 559 V HN 0.789 nan 8.190 nan 0.000 0.477 560 M N 2.267 121.923 119.600 0.093 0.000 2.102 560 M HA 0.101 4.584 4.480 0.005 0.000 0.259 560 M C 0.790 177.141 176.300 0.085 0.000 1.083 560 M CA 1.519 56.891 55.300 0.120 0.000 1.141 560 M CB -0.344 32.407 32.600 0.250 0.000 1.318 560 M HN 0.654 nan 8.290 nan 0.000 0.421 561 Q N 0.017 119.873 119.800 0.093 0.000 2.416 561 Q HA 0.152 4.494 4.340 0.005 0.000 0.281 561 Q C 0.123 176.151 176.000 0.046 0.000 1.067 561 Q CA -0.048 55.791 55.803 0.059 0.000 0.809 561 Q CB 2.616 31.387 28.738 0.055 0.000 1.418 561 Q HN 0.402 nan 8.270 nan 0.000 0.411 562 E N 1.632 121.850 120.200 0.030 0.000 2.097 562 E HA -0.248 4.105 4.350 0.005 0.000 0.196 562 E C 0.985 177.597 176.600 0.019 0.000 1.000 562 E CA 1.931 58.343 56.400 0.020 0.000 0.804 562 E CB 0.219 29.929 29.700 0.016 0.000 0.740 562 E HN 0.620 nan 8.360 nan 0.000 0.454 563 A N 0.551 123.387 122.820 0.027 0.000 1.924 563 A HA -0.030 4.293 4.320 0.005 0.000 0.211 563 A C 1.909 179.517 177.584 0.039 0.000 1.198 563 A CA 0.577 52.630 52.037 0.026 0.000 0.657 563 A CB -0.082 18.934 19.000 0.027 0.000 0.852 563 A HN 0.146 nan 8.150 nan 0.000 0.454 564 E N -0.194 120.047 120.200 0.068 0.000 2.208 564 E HA 0.203 4.556 4.350 0.005 0.000 0.193 564 E C 0.979 177.685 176.600 0.177 0.000 0.988 564 E CA 0.989 57.463 56.400 0.122 0.000 0.828 564 E CB -0.044 29.738 29.700 0.136 0.000 0.763 564 E HN 0.605 nan 8.360 nan 0.000 0.478 565 G N -0.682 108.174 108.800 0.094 0.000 2.336 565 G HA2 0.228 4.191 3.960 0.005 0.000 0.300 565 G HA3 0.228 4.191 3.960 0.005 0.000 0.300 565 G C -1.222 173.613 174.900 -0.108 0.000 1.375 565 G CA -0.636 44.383 45.100 -0.134 0.000 0.885 565 G HN -0.065 nan 8.290 nan 0.000 0.599 566 T N 0.072 114.402 114.554 -0.373 0.000 2.952 566 T HA 0.584 4.937 4.350 0.005 0.000 0.305 566 T C -0.160 174.452 174.700 -0.146 0.000 1.064 566 T CA -0.701 61.304 62.100 -0.158 0.000 1.008 566 T CB 2.036 70.824 68.868 -0.134 0.000 1.078 566 T HN 0.716 nan 8.240 nan 0.000 0.459 567 R N 3.316 123.831 120.500 0.025 0.000 2.265 567 R HA 0.531 4.873 4.340 0.005 0.000 0.314 567 R C -0.855 175.442 176.300 -0.005 0.000 1.053 567 R CA -0.406 55.729 56.100 0.058 0.000 0.931 567 R CB 0.283 30.638 30.300 0.092 0.000 1.024 567 R HN 0.450 nan 8.270 nan 0.000 0.457 568 I N 3.706 124.267 120.570 -0.014 0.000 2.509 568 I HA 0.314 4.487 4.170 0.005 0.000 0.293 568 I C -0.488 175.622 176.117 -0.011 0.000 1.020 568 I CA -0.670 60.613 61.300 -0.028 0.000 1.088 568 I CB 2.027 40.001 38.000 -0.044 0.000 1.267 568 I HN 0.729 nan 8.210 nan 0.000 0.430 569 E N 5.938 126.128 120.200 -0.017 0.000 2.210 569 E HA 0.701 5.054 4.350 0.005 0.000 0.266 569 E C -1.478 175.120 176.600 -0.003 0.000 0.883 569 E CA -0.734 55.665 56.400 -0.002 0.000 0.761 569 E CB 2.758 32.450 29.700 -0.012 0.000 1.156 569 E HN 0.255 nan 8.360 nan 0.000 0.412 570 L N 1.671 122.910 121.223 0.027 0.000 2.350 570 L HA 0.525 4.868 4.340 0.005 0.000 0.260 570 L C -0.391 176.532 176.870 0.089 0.000 1.015 570 L CA -0.989 53.871 54.840 0.034 0.000 0.821 570 L CB 1.157 43.230 42.059 0.023 0.000 1.370 570 L HN 0.426 nan 8.230 nan 0.000 0.416 571 K N -0.312 120.151 120.400 0.104 0.000 2.221 571 K HA 0.996 5.319 4.320 0.005 0.000 0.243 571 K C -0.452 176.185 176.600 0.062 0.000 0.968 571 K CA -0.775 55.605 56.287 0.155 0.000 0.846 571 K CB 2.274 34.948 32.500 0.290 0.000 1.141 571 K HN 0.773 nan 8.250 nan 0.000 0.434 572 G N 0.590 109.400 108.800 0.017 0.000 2.576 572 G HA2 0.326 4.288 3.960 0.005 0.000 0.290 572 G HA3 0.326 4.288 3.960 0.005 0.000 0.290 572 G C -1.891 172.962 174.900 -0.078 0.000 1.442 572 G CA -1.096 43.990 45.100 -0.022 0.000 0.792 572 G HN 0.594 nan 8.290 nan 0.000 0.491 573 R N 0.398 120.843 120.500 -0.092 0.000 2.294 573 R HA 0.585 4.928 4.340 0.005 0.000 0.319 573 R C -0.645 175.540 176.300 -0.191 0.000 0.984 573 R CA -0.498 55.517 56.100 -0.141 0.000 0.861 573 R CB 1.537 31.767 30.300 -0.117 0.000 1.104 573 R HN 0.291 nan 8.270 nan 0.000 0.451 574 V N 8.008 127.760 119.914 -0.270 0.000 2.470 574 V HA 0.146 4.269 4.120 0.005 0.000 0.276 574 V C -1.602 174.182 176.094 -0.518 0.000 1.040 574 V CA -1.262 60.750 62.300 -0.480 0.000 1.008 574 V CB 1.399 32.928 31.823 -0.490 0.000 0.990 574 V HN 0.833 nan 8.190 nan 0.000 0.477 575 P HA 0.057 nan 4.420 nan 0.000 0.227 575 P C -0.110 177.097 177.300 -0.154 0.000 1.161 575 P CA 0.681 63.625 63.100 -0.261 0.000 0.788 575 P CB 0.140 31.805 31.700 -0.058 0.000 0.822 576 F N -2.456 117.515 119.950 0.035 0.000 2.572 576 F HA 0.755 5.285 4.527 0.005 0.000 0.342 576 F C 0.399 176.245 175.800 0.078 0.000 1.064 576 F CA -1.371 56.661 58.000 0.054 0.000 1.008 576 F CB 0.264 39.287 39.000 0.038 0.000 1.303 576 F HN -0.465 nan 8.300 nan 0.000 0.492 577 S N 0.660 116.571 115.700 0.351 0.000 2.689 577 S HA 0.742 5.215 4.470 0.005 0.000 0.306 577 S C -1.157 173.585 174.600 0.238 0.000 1.104 577 S CA -0.585 57.786 58.200 0.286 0.000 0.973 577 S CB 1.801 65.184 63.200 0.304 0.000 1.121 577 S HN 0.379 nan 8.310 nan 0.000 0.523 578 I N 1.904 122.583 120.570 0.182 0.000 2.569 578 I HA 0.370 4.543 4.170 0.005 0.000 0.296 578 I C -0.527 175.636 176.117 0.077 0.000 1.028 578 I CA -0.881 60.489 61.300 0.117 0.000 1.082 578 I CB 1.843 39.907 38.000 0.106 0.000 1.264 578 I HN 0.584 nan 8.210 nan 0.000 0.429 579 D N 5.725 126.150 120.400 0.042 0.000 2.313 579 D HA 0.297 4.940 4.640 0.005 0.000 0.239 579 D C 1.281 177.592 176.300 0.018 0.000 1.142 579 D CA -0.230 53.781 54.000 0.018 0.000 0.847 579 D CB 1.028 41.828 40.800 -0.000 0.000 1.082 579 D HN 0.405 nan 8.370 nan 0.000 0.480 580 I N 3.128 123.709 120.570 0.018 0.000 2.315 580 I HA -0.306 3.867 4.170 0.005 0.000 0.251 580 I C 1.698 177.818 176.117 0.006 0.000 1.125 580 I CA 0.570 61.879 61.300 0.015 0.000 1.392 580 I CB -0.105 37.903 38.000 0.013 0.000 1.065 580 I HN 0.380 nan 8.210 nan 0.000 0.424 581 N N 0.347 119.047 118.700 0.000 0.000 2.309 581 N HA -0.097 4.646 4.740 0.005 0.000 0.182 581 N C 1.818 177.326 175.510 -0.003 0.000 1.018 581 N CA 1.108 54.156 53.050 -0.004 0.000 0.876 581 N CB -0.138 38.344 38.487 -0.008 0.000 0.972 581 N HN 0.240 nan 8.380 nan 0.000 0.434 582 S N 0.372 116.072 115.700 -0.001 0.000 2.527 582 S HA 0.159 4.631 4.470 0.005 0.000 0.222 582 S C 0.831 175.430 174.600 -0.000 0.000 0.985 582 S CA -0.102 58.097 58.200 -0.002 0.000 0.921 582 S CB 0.203 63.401 63.200 -0.002 0.000 0.772 582 S HN 0.221 nan 8.310 nan 0.000 0.529 583 L N 2.602 123.827 121.223 0.003 0.000 2.410 583 L HA 0.190 4.533 4.340 0.005 0.000 0.273 583 L C -0.356 176.515 176.870 0.001 0.000 1.144 583 L CA -0.391 54.452 54.840 0.004 0.000 0.863 583 L CB 0.511 42.575 42.059 0.008 0.000 1.140 583 L HN -0.029 nan 8.230 nan 0.000 0.463 584 V N 6.167 126.081 119.914 0.000 0.000 2.368 584 V HA 0.271 4.394 4.120 0.005 0.000 0.266 584 V C 0.308 176.402 176.094 0.000 0.000 1.045 584 V CA -0.002 62.298 62.300 -0.001 0.000 0.899 584 V CB 0.786 32.607 31.823 -0.002 0.000 1.006 584 V HN 0.479 nan 8.190 nan 0.000 0.470 585 I N 6.920 127.490 120.570 0.000 0.000 2.420 585 I HA 0.379 4.551 4.170 0.005 0.000 0.282 585 I C -1.995 174.122 176.117 0.000 0.000 1.019 585 I CA -1.722 59.579 61.300 0.001 0.000 1.130 585 I CB 1.723 39.724 38.000 0.001 0.000 1.262 585 I HN 0.460 nan 8.210 nan 0.000 0.454 586 P HA 0.154 nan 4.420 nan 0.000 0.267 586 P C -2.240 175.061 177.300 0.001 0.000 1.201 586 P CA -0.468 62.632 63.100 0.000 0.000 0.775 586 P CB -0.268 31.433 31.700 0.001 0.000 0.854 592 L N 5.918 127.148 121.223 0.011 0.000 2.483 592 L HA 0.247 4.590 4.340 0.005 0.000 0.276 592 L C 0.663 177.531 176.870 -0.004 0.000 1.213 592 L CA 0.416 55.254 54.840 -0.004 0.000 0.843 592 L CB 1.086 43.132 42.059 -0.022 0.000 1.107 592 L HN 0.750 nan 8.230 nan 0.000 0.487 593 S N 0.773 116.470 115.700 -0.005 0.000 2.690 593 S HA 0.424 4.896 4.470 0.005 0.000 0.291 593 S C 1.011 175.613 174.600 0.003 0.000 1.138 593 S CA -0.149 58.055 58.200 0.007 0.000 1.013 593 S CB 1.697 64.906 63.200 0.016 0.000 1.053 593 S HN 0.686 nan 8.310 nan 0.000 0.539 594 E N 1.170 121.399 120.200 0.048 0.000 2.086 594 E HA -0.261 4.092 4.350 0.005 0.000 0.200 594 E C 1.349 178.010 176.600 0.102 0.000 1.012 594 E CA 2.287 58.760 56.400 0.122 0.000 0.812 594 E CB -1.647 28.174 29.700 0.202 0.000 0.743 594 E HN 0.837 nan 8.360 nan 0.000 0.453 595 D N -0.174 120.269 120.400 0.070 0.000 2.117 595 D HA -0.018 4.625 4.640 0.005 0.000 0.197 595 D C 2.343 178.663 176.300 0.033 0.000 0.987 595 D CA 2.230 56.263 54.000 0.055 0.000 0.829 595 D CB -0.468 40.356 40.800 0.040 0.000 0.961 595 D HN 0.687 nan 8.370 nan 0.000 0.460 596 E N 0.711 120.917 120.200 0.012 0.000 2.031 596 E HA -0.135 4.218 4.350 0.005 0.000 0.193 596 E C 2.214 178.800 176.600 -0.024 0.000 0.994 596 E CA 1.123 57.520 56.400 -0.005 0.000 0.800 596 E CB -0.971 28.722 29.700 -0.012 0.000 0.752 596 E HN 0.338 nan 8.360 nan 0.000 0.447 597 I N -0.172 120.361 120.570 -0.062 0.000 2.163 597 I HA -0.274 3.899 4.170 0.005 0.000 0.243 597 I C 2.956 179.045 176.117 -0.047 0.000 1.085 597 I CA 1.921 63.144 61.300 -0.127 0.000 1.347 597 I CB -0.190 37.599 38.000 -0.352 0.000 1.044 597 I HN 0.227 nan 8.210 nan 0.000 0.408 598 R N 0.743 121.269 120.500 0.042 0.000 2.081 598 R HA -0.214 4.129 4.340 0.005 0.000 0.235 598 R C 2.515 178.848 176.300 0.056 0.000 1.131 598 R CA 2.031 58.200 56.100 0.115 0.000 0.960 598 R CB -0.324 30.073 30.300 0.162 0.000 0.856 598 R HN 0.455 nan 8.270 nan 0.000 0.436 599 E N 1.019 121.239 120.200 0.034 0.000 2.077 599 E HA -0.243 4.110 4.350 0.005 0.000 0.193 599 E C 1.615 178.221 176.600 0.011 0.000 0.989 599 E CA 1.559 57.971 56.400 0.021 0.000 0.800 599 E CB -0.890 28.819 29.700 0.015 0.000 0.746 599 E HN 0.544 nan 8.360 nan 0.000 0.452 600 D N -0.074 120.325 120.400 -0.001 0.000 2.117 600 D HA -0.102 4.540 4.640 0.005 0.000 0.197 600 D C 2.055 178.353 176.300 -0.003 0.000 0.987 600 D CA 1.410 55.405 54.000 -0.009 0.000 0.829 600 D CB -0.057 40.727 40.800 -0.026 0.000 0.961 600 D HN 0.504 nan 8.370 nan 0.000 0.460 601 I N 0.589 121.162 120.570 0.006 0.000 2.439 601 I HA -0.149 4.024 4.170 0.005 0.000 0.251 601 I C 2.388 178.518 176.117 0.022 0.000 1.139 601 I CA 0.609 61.919 61.300 0.017 0.000 1.438 601 I CB -0.119 37.903 38.000 0.037 0.000 1.085 601 I HN -0.043 nan 8.210 nan 0.000 0.427 602 E N 0.875 121.090 120.200 0.025 0.000 2.110 602 E HA -0.269 4.084 4.350 0.005 0.000 0.193 602 E C 2.159 178.767 176.600 0.014 0.000 0.988 602 E CA 1.150 57.563 56.400 0.021 0.000 0.804 602 E CB 0.041 29.754 29.700 0.022 0.000 0.745 602 E HN 0.300 nan 8.360 nan 0.000 0.458 603 K N -0.172 120.234 120.400 0.010 0.000 2.025 603 K HA -0.052 4.271 4.320 0.005 0.000 0.207 603 K C -0.082 176.522 176.600 0.005 0.000 1.049 603 K CA 1.237 57.528 56.287 0.006 0.000 0.933 603 K CB 0.286 32.788 32.500 0.003 0.000 0.714 603 K HN -0.053 nan 8.250 nan 0.000 0.438 604 T N 3.067 117.623 114.554 0.004 0.000 2.906 604 T HA 0.324 4.677 4.350 0.005 0.000 0.302 604 T C -2.761 171.944 174.700 0.008 0.000 1.002 604 T CA -1.488 60.614 62.100 0.005 0.000 0.988 604 T CB 1.938 70.806 68.868 -0.001 0.000 0.972 604 T HN 0.007 nan 8.240 nan 0.000 0.447 605 P HA 0.237 nan 4.420 nan 0.000 0.265 605 P C -0.875 176.437 177.300 0.021 0.000 1.193 605 P CA -0.639 62.472 63.100 0.020 0.000 0.765 605 P CB 0.485 32.199 31.700 0.023 0.000 0.823 606 L N 3.778 125.017 121.223 0.026 0.000 2.313 606 L HA 0.475 4.818 4.340 0.005 0.000 0.283 606 L C -0.130 176.768 176.870 0.048 0.000 1.013 606 L CA -0.273 54.584 54.840 0.028 0.000 0.816 606 L CB 0.930 43.000 42.059 0.018 0.000 1.236 606 L HN 0.181 nan 8.230 nan 0.000 0.419 607 K N 4.755 125.192 120.400 0.060 0.000 2.376 607 K HA 0.621 4.944 4.320 0.005 0.000 0.257 607 K C -1.579 175.087 176.600 0.109 0.000 0.939 607 K CA -0.647 55.700 56.287 0.100 0.000 0.809 607 K CB 1.454 34.026 32.500 0.120 0.000 1.121 607 K HN 0.513 nan 8.250 nan 0.000 0.425 608 I N 3.552 124.205 120.570 0.139 0.000 2.646 608 I HA 0.289 4.462 4.170 0.005 0.000 0.299 608 I C -0.610 175.611 176.117 0.174 0.000 1.036 608 I CA -0.837 60.542 61.300 0.132 0.000 1.074 608 I CB 2.059 40.127 38.000 0.112 0.000 1.258 608 I HN 0.365 nan 8.210 nan 0.000 0.430 609 V N 2.349 122.346 119.914 0.139 0.000 2.547 609 V HA 1.021 5.143 4.120 0.005 0.000 0.299 609 V C -0.367 175.803 176.094 0.126 0.000 1.040 609 V CA -0.601 61.782 62.300 0.139 0.000 0.913 609 V CB 1.272 33.144 31.823 0.081 0.000 0.992 609 V HN 0.904 nan 8.190 nan 0.000 0.449 610 A N 3.140 126.042 122.820 0.136 0.000 2.422 610 A HA 1.067 5.389 4.320 0.005 0.000 0.302 610 A C -0.284 177.350 177.584 0.083 0.000 1.041 610 A CA -0.131 51.998 52.037 0.153 0.000 0.708 610 A CB 1.725 20.869 19.000 0.241 0.000 1.257 610 A HN 2.543 nan 8.150 nan 0.000 0.414 611 A N 0.766 123.627 122.820 0.068 0.000 2.604 611 A HA 0.787 5.110 4.320 0.005 0.000 0.295 611 A C -0.420 177.198 177.584 0.057 0.000 1.067 611 A CA -0.415 51.612 52.037 -0.017 0.000 0.683 611 A CB 0.835 19.792 19.000 -0.072 0.000 1.281 611 A HN 0.935 nan 8.150 nan 0.000 0.407 612 T N 1.686 116.273 114.554 0.055 0.000 2.780 612 T HA 0.518 4.870 4.350 0.005 0.000 0.294 612 T C 0.425 175.150 174.700 0.040 0.000 0.949 612 T CA 0.119 62.263 62.100 0.074 0.000 1.074 612 T CB 0.527 69.456 68.868 0.102 0.000 0.910 612 T HN 1.524 nan 8.240 nan 0.000 0.501 613 V N 1.120 121.064 119.914 0.049 0.000 2.975 613 V HA 1.026 5.149 4.120 0.005 0.000 0.318 613 V C 0.801 176.920 176.094 0.042 0.000 1.077 613 V CA 0.187 62.510 62.300 0.038 0.000 1.000 613 V CB 0.694 32.543 31.823 0.043 0.000 1.066 613 V HN 1.151 nan 8.190 nan 0.000 0.452 614 G N 2.269 111.089 108.800 0.034 0.000 2.509 614 G HA2 -0.216 3.747 3.960 0.005 0.000 0.256 614 G HA3 -0.216 3.747 3.960 0.005 0.000 0.256 614 G C 0.135 175.053 174.900 0.031 0.000 1.152 614 G CA 0.466 45.588 45.100 0.036 0.000 0.951 614 G HN 1.040 nan 8.290 nan 0.000 0.559 615 E N 1.041 121.264 120.200 0.038 0.000 2.496 615 E HA 0.209 4.562 4.350 0.005 0.000 0.200 615 E C -0.509 176.114 176.600 0.038 0.000 1.016 615 E CA -0.252 56.166 56.400 0.030 0.000 0.962 615 E CB 0.529 30.247 29.700 0.029 0.000 1.071 615 E HN 0.339 nan 8.360 nan 0.000 0.457 616 D N 1.526 121.958 120.400 0.053 0.000 2.295 616 D HA 0.035 4.677 4.640 0.005 0.000 0.248 616 D C 0.523 176.857 176.300 0.057 0.000 1.154 616 D CA 0.051 54.102 54.000 0.086 0.000 0.857 616 D CB 0.979 41.846 40.800 0.112 0.000 1.117 616 D HN -0.061 nan 8.370 nan 0.000 0.468 617 E N 2.238 122.439 120.200 0.003 0.000 2.463 617 E HA -0.020 4.333 4.350 0.005 0.000 0.193 617 E C -0.240 176.310 176.600 -0.082 0.000 1.041 617 E CA -0.156 56.212 56.400 -0.054 0.000 0.879 617 E CB 0.060 29.697 29.700 -0.106 0.000 0.997 617 E HN 0.521 nan 8.360 nan 0.000 0.478 618 H N 0.592 119.678 119.070 0.027 0.000 3.015 618 H HA 0.028 4.587 4.556 0.005 0.000 0.268 618 H C 1.439 176.797 175.328 0.049 0.000 1.113 618 H CA 0.223 56.288 56.048 0.029 0.000 1.479 618 H CB 0.658 30.430 29.762 0.018 0.000 1.493 618 H HN -0.009 nan 8.280 nan 0.000 0.486 619 S N 1.463 117.244 115.700 0.135 0.000 2.492 619 S HA -0.043 4.430 4.470 0.005 0.000 0.218 619 S C 1.882 176.545 174.600 0.105 0.000 1.016 619 S CA 0.152 58.434 58.200 0.138 0.000 0.916 619 S CB 0.001 63.282 63.200 0.135 0.000 0.791 619 S HN 0.348 nan 8.310 nan 0.000 0.513 620 V N 2.694 122.661 119.914 0.089 0.000 2.287 620 V HA -0.086 4.037 4.120 0.005 0.000 0.248 620 V C 2.940 179.064 176.094 0.050 0.000 1.053 620 V CA 2.137 64.471 62.300 0.057 0.000 1.027 620 V CB -1.660 30.200 31.823 0.062 0.000 0.646 620 V HN 0.640 nan 8.190 nan 0.000 0.447 621 G N -0.086 108.752 108.800 0.064 0.000 2.491 621 G HA2 -0.312 3.651 3.960 0.005 0.000 0.218 621 G HA3 -0.312 3.651 3.960 0.005 0.000 0.218 621 G C 1.582 176.509 174.900 0.045 0.000 1.180 621 G CA 1.450 46.581 45.100 0.052 0.000 0.774 621 G HN 0.440 nan 8.290 nan 0.000 0.562 622 L N 0.698 121.957 121.223 0.061 0.000 2.027 622 L HA 0.070 4.413 4.340 0.005 0.000 0.206 622 L C 2.895 179.766 176.870 0.002 0.000 1.074 622 L CA 1.742 56.617 54.840 0.059 0.000 0.745 622 L CB -0.677 41.461 42.059 0.132 0.000 0.898 622 L HN 0.182 nan 8.230 nan 0.000 0.433 623 R N -0.553 119.920 120.500 -0.044 0.000 2.159 623 R HA -0.200 4.143 4.340 0.005 0.000 0.237 623 R C 2.131 178.388 176.300 -0.072 0.000 1.131 623 R CA 1.268 57.287 56.100 -0.136 0.000 0.982 623 R CB -0.337 29.854 30.300 -0.182 0.000 0.868 623 R HN 0.394 nan 8.270 nan 0.000 0.453 624 E N 0.696 120.886 120.200 -0.016 0.000 2.150 624 E HA -0.122 4.231 4.350 0.005 0.000 0.193 624 E C 1.624 178.231 176.600 0.012 0.000 0.985 624 E CA 1.139 57.553 56.400 0.022 0.000 0.814 624 E CB 0.204 29.937 29.700 0.056 0.000 0.752 624 E HN 0.290 nan 8.360 nan 0.000 0.466 625 V N -1.824 118.087 119.914 -0.005 0.000 3.649 625 V HA 0.209 4.332 4.120 0.005 0.000 0.275 625 V C 1.572 177.652 176.094 -0.023 0.000 1.281 625 V CA 0.440 62.730 62.300 -0.017 0.000 1.143 625 V CB -0.293 31.503 31.823 -0.045 0.000 0.892 625 V HN 0.185 nan 8.190 nan 0.000 0.441 626 I N -0.700 119.845 120.570 -0.042 0.000 3.136 626 I HA 0.219 4.392 4.170 0.005 0.000 0.262 626 I C 0.495 176.565 176.117 -0.078 0.000 1.132 626 I CA -0.009 61.258 61.300 -0.054 0.000 1.450 626 I CB 0.021 37.969 38.000 -0.086 0.000 1.315 626 I HN 0.210 nan 8.210 nan 0.000 0.460 627 D N 1.917 122.256 120.400 -0.101 0.000 2.472 627 D HA -0.027 4.616 4.640 0.005 0.000 0.237 627 D C 1.068 177.300 176.300 -0.113 0.000 1.141 627 D CA 0.481 54.411 54.000 -0.117 0.000 0.875 627 D CB 1.334 42.056 40.800 -0.131 0.000 1.192 627 D HN 0.171 nan 8.370 nan 0.000 0.450 628 I N 1.878 122.373 120.570 -0.126 0.000 2.454 628 I HA -0.307 3.866 4.170 0.005 0.000 0.254 628 I C 2.099 178.132 176.117 -0.141 0.000 1.156 628 I CA 1.238 62.456 61.300 -0.137 0.000 1.433 628 I CB 0.164 38.084 38.000 -0.132 0.000 1.082 628 I HN 0.220 nan 8.210 nan 0.000 0.432 629 K N 1.208 121.500 120.400 -0.180 0.000 2.015 629 K HA -0.271 4.052 4.320 0.005 0.000 0.216 629 K C 1.053 177.509 176.600 -0.240 0.000 1.052 629 K CA 2.135 58.260 56.287 -0.271 0.000 0.937 629 K CB -0.578 31.660 32.500 -0.437 0.000 0.719 629 K HN 0.575 nan 8.250 nan 0.000 0.446 630 H N -1.774 117.261 119.070 -0.058 0.000 2.524 630 H HA 0.327 4.886 4.556 0.005 0.000 0.297 630 H C 0.147 175.442 175.328 -0.056 0.000 1.115 630 H CA -0.120 55.899 56.048 -0.048 0.000 1.027 630 H CB 0.387 30.129 29.762 -0.034 0.000 1.591 630 H HN 0.526 nan 8.280 nan 0.000 0.543 631 G N 0.695 109.498 108.800 0.005 0.000 2.182 631 G HA2 -0.244 3.719 3.960 0.005 0.000 0.248 631 G HA3 -0.244 3.719 3.960 0.005 0.000 0.248 631 G C 0.680 175.551 174.900 -0.049 0.000 1.042 631 G CA -0.092 44.978 45.100 -0.049 0.000 0.775 631 G HN 0.686 nan 8.290 nan 0.000 0.501 632 G N -0.386 108.381 108.800 -0.055 0.000 2.667 632 G HA2 0.534 4.497 3.960 0.005 0.000 0.250 632 G HA3 0.534 4.497 3.960 0.005 0.000 0.250 632 G C 1.487 176.367 174.900 -0.033 0.000 1.212 632 G CA -0.216 44.865 45.100 -0.032 0.000 0.874 632 G HN 1.212 nan 8.290 nan 0.000 0.561 633 I N -1.700 118.898 120.570 0.047 0.000 2.700 633 I HA -0.065 4.108 4.170 0.005 0.000 0.261 633 I C 2.060 178.223 176.117 0.077 0.000 1.219 633 I CA 1.819 63.219 61.300 0.167 0.000 1.463 633 I CB -0.287 37.802 38.000 0.148 0.000 1.092 633 I HN 0.745 nan 8.210 nan 0.000 0.452 634 E N 2.586 122.770 120.200 -0.026 0.000 2.409 634 E HA -0.262 4.090 4.350 0.005 0.000 0.198 634 E C 2.012 178.538 176.600 -0.123 0.000 1.024 634 E CA 0.739 57.107 56.400 -0.054 0.000 0.861 634 E CB -0.311 29.349 29.700 -0.067 0.000 0.788 634 E HN 0.657 nan 8.360 nan 0.000 0.521 635 K N 0.218 120.461 120.400 -0.261 0.000 2.209 635 K HA -0.161 4.162 4.320 0.005 0.000 0.204 635 K C 0.483 176.792 176.600 -0.486 0.000 1.048 635 K CA 1.219 57.233 56.287 -0.454 0.000 0.940 635 K CB -0.025 32.035 32.500 -0.733 0.000 0.729 635 K HN 0.276 nan 8.250 nan 0.000 0.451 636 Y N -0.944 119.345 120.300 -0.018 0.000 2.507 636 Y HA 0.282 4.835 4.550 0.005 0.000 0.254 636 Y C 1.134 177.027 175.900 -0.011 0.000 1.171 636 Y CA 0.059 58.151 58.100 -0.012 0.000 1.238 636 Y CB 1.065 39.520 38.460 -0.009 0.000 1.148 636 Y HN 0.216 nan 8.280 nan 0.000 0.525 637 G N 0.169 109.012 108.800 0.071 0.000 2.132 637 G HA2 -0.256 3.707 3.960 0.005 0.000 0.234 637 G HA3 -0.256 3.707 3.960 0.005 0.000 0.234 637 G C -0.165 174.764 174.900 0.049 0.000 0.989 637 G CA 0.013 45.138 45.100 0.043 0.000 0.676 637 G HN 0.105 nan 8.290 nan 0.000 0.522 638 V N 0.951 120.907 119.914 0.069 0.000 2.572 638 V HA 0.287 4.410 4.120 0.005 0.000 0.291 638 V C 0.959 177.068 176.094 0.025 0.000 1.039 638 V CA 0.258 62.592 62.300 0.056 0.000 1.055 638 V CB 1.611 33.480 31.823 0.077 0.000 0.969 638 V HN 0.465 nan 8.190 nan 0.000 0.482 639 E N 4.429 124.642 120.200 0.022 0.000 2.180 639 E HA 0.359 4.711 4.350 0.005 0.000 0.283 639 E C -1.211 175.381 176.600 -0.013 0.000 1.061 639 E CA -0.415 55.976 56.400 -0.014 0.000 0.861 639 E CB 1.158 30.860 29.700 0.003 0.000 1.056 639 E HN 0.514 nan 8.360 nan 0.000 0.407 640 V N 6.053 125.925 119.914 -0.070 0.000 2.384 640 V HA 0.173 4.296 4.120 0.005 0.000 0.287 640 V C -0.296 175.724 176.094 -0.124 0.000 1.020 640 V CA -0.761 61.527 62.300 -0.021 0.000 0.850 640 V CB 1.356 33.189 31.823 0.017 0.000 0.987 640 V HN 0.695 nan 8.190 nan 0.000 0.436 641 H N 4.628 123.749 119.070 0.085 0.000 2.690 641 H HA 0.231 4.789 4.556 0.005 0.000 0.289 641 H C -1.094 174.312 175.328 0.129 0.000 1.089 641 H CA -0.242 55.858 56.048 0.088 0.000 1.299 641 H CB 1.064 30.857 29.762 0.051 0.000 1.405 641 H HN 0.669 nan 8.280 nan 0.000 0.463 642 Y N 4.259 124.603 120.300 0.074 0.000 2.350 642 Y HA 0.117 4.670 4.550 0.005 0.000 0.340 642 Y C 0.370 176.305 175.900 0.059 0.000 1.006 642 Y CA -0.595 57.538 58.100 0.054 0.000 1.166 642 Y CB 0.570 39.043 38.460 0.021 0.000 1.168 642 Y HN 0.539 nan 8.280 nan 0.000 0.502 643 L N 5.692 126.631 121.223 -0.473 0.000 2.585 643 L HA 0.336 4.679 4.340 0.005 0.000 0.226 643 L C 1.219 177.771 176.870 -0.529 0.000 1.113 643 L CA 0.521 55.144 54.840 -0.361 0.000 0.876 643 L CB -0.639 41.312 42.059 -0.180 0.000 1.072 643 L HN 1.013 nan 8.230 nan 0.000 0.468 644 G N 0.777 108.886 108.800 -1.152 0.000 2.512 644 G HA2 -0.212 3.751 3.960 0.005 0.000 0.210 644 G HA3 -0.212 3.751 3.960 0.005 0.000 0.210 644 G C -0.130 174.593 174.900 -0.295 0.000 1.295 644 G CA -0.276 44.425 45.100 -0.665 0.000 0.934 644 G HN 0.220 nan 8.290 nan 0.000 0.554 645 T N -3.310 111.190 114.554 -0.089 0.000 2.949 645 T HA 0.686 5.039 4.350 0.005 0.000 0.287 645 T C 0.816 175.503 174.700 -0.022 0.000 1.034 645 T CA 0.857 62.947 62.100 -0.015 0.000 1.018 645 T CB 1.586 70.474 68.868 0.034 0.000 1.135 645 T HN 2.319 nan 8.240 nan 0.000 0.532 646 S N -0.509 115.192 115.700 0.000 0.000 3.614 646 S HA -0.102 4.370 4.470 0.005 0.000 0.360 646 S C 0.081 174.675 174.600 -0.010 0.000 1.023 646 S CA 0.336 58.537 58.200 0.001 0.000 1.114 646 S CB -1.832 61.367 63.200 -0.002 0.000 0.907 646 S HN 0.825 nan 8.310 nan 0.000 0.470 647 V N 2.273 122.178 119.914 -0.016 0.000 2.406 647 V HA 0.299 4.421 4.120 0.005 0.000 0.272 647 V C -1.818 174.274 176.094 -0.004 0.000 1.043 647 V CA -1.902 60.384 62.300 -0.023 0.000 0.915 647 V CB 1.069 32.864 31.823 -0.047 0.000 0.988 647 V HN 0.086 nan 8.190 nan 0.000 0.466 648 P HA 0.050 nan 4.420 nan 0.000 0.265 648 P C 1.112 178.419 177.300 0.011 0.000 1.193 648 P CA 0.161 63.265 63.100 0.008 0.000 0.765 648 P CB 0.754 32.457 31.700 0.004 0.000 0.823 649 V N 2.905 122.831 119.914 0.020 0.000 2.380 649 V HA -0.274 3.849 4.120 0.005 0.000 0.251 649 V C 2.238 178.343 176.094 0.018 0.000 1.063 649 V CA 2.380 64.695 62.300 0.025 0.000 1.055 649 V CB -0.907 30.937 31.823 0.034 0.000 0.657 649 V HN 0.698 nan 8.190 nan 0.000 0.455 650 E N -0.034 120.174 120.200 0.013 0.000 2.106 650 E HA -0.266 4.087 4.350 0.005 0.000 0.192 650 E C 2.158 178.759 176.600 0.003 0.000 0.984 650 E CA 1.272 57.677 56.400 0.007 0.000 0.806 650 E CB -0.118 29.585 29.700 0.005 0.000 0.750 650 E HN 0.418 nan 8.360 nan 0.000 0.458 651 K N 0.563 120.963 120.400 -0.000 0.000 2.097 651 K HA -0.140 4.182 4.320 0.005 0.000 0.206 651 K C 1.940 178.535 176.600 -0.007 0.000 1.049 651 K CA 0.991 57.274 56.287 -0.006 0.000 0.933 651 K CB -0.567 31.926 32.500 -0.011 0.000 0.717 651 K HN 0.248 nan 8.250 nan 0.000 0.442 652 L N 0.037 121.259 121.223 -0.001 0.000 2.046 652 L HA -0.077 4.266 4.340 0.005 0.000 0.208 652 L C 1.958 178.834 176.870 0.009 0.000 1.077 652 L CA 1.503 56.346 54.840 0.004 0.000 0.747 652 L CB -0.576 41.493 42.059 0.016 0.000 0.896 652 L HN 0.039 nan 8.230 nan 0.000 0.432 653 V N -0.162 119.759 119.914 0.011 0.000 2.358 653 V HA -0.257 3.866 4.120 0.005 0.000 0.246 653 V C 2.273 178.367 176.094 0.000 0.000 1.047 653 V CA 1.883 64.189 62.300 0.010 0.000 1.035 653 V CB -0.821 31.008 31.823 0.009 0.000 0.658 653 V HN 0.445 nan 8.190 nan 0.000 0.452 654 D N 0.463 120.860 120.400 -0.005 0.000 2.144 654 D HA -0.110 4.532 4.640 0.005 0.000 0.199 654 D C 2.233 178.522 176.300 -0.018 0.000 0.984 654 D CA 1.611 55.604 54.000 -0.011 0.000 0.834 654 D CB -0.172 40.621 40.800 -0.011 0.000 0.955 654 D HN 0.449 nan 8.370 nan 0.000 0.465 655 A N 1.105 123.914 122.820 -0.020 0.000 1.930 655 A HA -0.021 4.302 4.320 0.005 0.000 0.217 655 A C 2.328 179.889 177.584 -0.040 0.000 1.175 655 A CA 1.932 53.949 52.037 -0.034 0.000 0.627 655 A CB -0.561 18.422 19.000 -0.028 0.000 0.815 655 A HN 0.225 nan 8.150 nan 0.000 0.443 656 A N -0.051 122.760 122.820 -0.016 0.000 1.933 656 A HA -0.094 4.228 4.320 0.005 0.000 0.218 656 A C 2.091 179.665 177.584 -0.017 0.000 1.175 656 A CA 1.620 53.653 52.037 -0.007 0.000 0.628 656 A CB -0.555 18.454 19.000 0.016 0.000 0.814 656 A HN 0.511 nan 8.150 nan 0.000 0.444 657 I N -0.959 119.601 120.570 -0.017 0.000 2.333 657 I HA -0.170 4.003 4.170 0.005 0.000 0.246 657 I C 2.528 178.627 176.117 -0.029 0.000 1.106 657 I CA 1.359 62.648 61.300 -0.018 0.000 1.411 657 I CB -0.279 37.713 38.000 -0.013 0.000 1.082 657 I HN 0.461 nan 8.210 nan 0.000 0.420 658 E N 1.447 121.624 120.200 -0.038 0.000 2.153 658 E HA -0.195 4.158 4.350 0.005 0.000 0.194 658 E C 1.988 178.547 176.600 -0.068 0.000 0.988 658 E CA 1.218 57.590 56.400 -0.047 0.000 0.811 658 E CB 0.092 29.763 29.700 -0.049 0.000 0.746 658 E HN 0.494 nan 8.360 nan 0.000 0.466 659 L N 0.042 121.207 121.223 -0.097 0.000 2.640 659 L HA 0.150 4.493 4.340 0.005 0.000 0.230 659 L C 1.020 177.840 176.870 -0.083 0.000 1.123 659 L CA -0.028 54.723 54.840 -0.147 0.000 0.900 659 L CB 0.141 42.014 42.059 -0.309 0.000 1.146 659 L HN 0.032 nan 8.230 nan 0.000 0.484 660 K N 1.244 121.617 120.400 -0.046 0.000 3.096 660 K HA -0.200 4.122 4.320 0.005 0.000 0.266 660 K C 0.235 176.832 176.600 -0.005 0.000 1.043 660 K CA 0.246 56.522 56.287 -0.019 0.000 0.758 660 K CB -0.872 31.621 32.500 -0.013 0.000 1.260 660 K HN 0.349 nan 8.250 nan 0.000 0.481 661 A N 0.734 123.552 122.820 -0.003 0.000 2.466 661 A HA 0.053 4.376 4.320 0.005 0.000 0.238 661 A C 0.829 178.432 177.584 0.032 0.000 1.074 661 A CA 0.432 52.485 52.037 0.026 0.000 0.774 661 A CB 0.207 19.229 19.000 0.036 0.000 1.015 661 A HN 0.458 nan 8.150 nan 0.000 0.498 662 D N -0.084 120.341 120.400 0.041 0.000 2.366 662 D HA 0.357 4.999 4.640 0.005 0.000 0.205 662 D C 0.441 176.766 176.300 0.041 0.000 1.022 662 D CA 1.467 55.486 54.000 0.031 0.000 0.868 662 D CB 0.396 41.208 40.800 0.021 0.000 0.953 662 D HN 0.710 nan 8.370 nan 0.000 0.514 663 A N 0.300 123.159 122.820 0.064 0.000 2.604 663 A HA 0.633 4.956 4.320 0.005 0.000 0.295 663 A C -1.454 176.195 177.584 0.109 0.000 1.067 663 A CA -0.603 51.491 52.037 0.095 0.000 0.683 663 A CB 1.292 20.355 19.000 0.106 0.000 1.281 663 A HN -0.000 nan 8.150 nan 0.000 0.407 664 I N 1.460 122.109 120.570 0.131 0.000 2.406 664 I HA 0.412 4.585 4.170 0.005 0.000 0.290 664 I C -0.967 175.239 176.117 0.150 0.000 0.999 664 I CA -0.343 61.030 61.300 0.122 0.000 1.124 664 I CB 1.550 39.613 38.000 0.105 0.000 1.289 664 I HN 0.462 nan 8.210 nan 0.000 0.441 665 L N 6.454 127.759 121.223 0.135 0.000 2.325 665 L HA 0.790 5.132 4.340 0.005 0.000 0.281 665 L C -0.229 176.711 176.870 0.117 0.000 1.004 665 L CA -0.492 54.428 54.840 0.134 0.000 0.823 665 L CB 1.720 43.850 42.059 0.117 0.000 1.236 665 L HN 0.654 nan 8.230 nan 0.000 0.415 666 A N 2.217 125.105 122.820 0.113 0.000 2.386 666 A HA 0.722 5.044 4.320 0.005 0.000 0.311 666 A C -0.704 176.940 177.584 0.099 0.000 1.068 666 A CA -0.481 51.615 52.037 0.099 0.000 0.743 666 A CB 2.054 21.107 19.000 0.088 0.000 1.258 666 A HN 0.513 nan 8.150 nan 0.000 0.429 667 S N 0.942 116.699 115.700 0.095 0.000 2.451 667 S HA 0.702 5.175 4.470 0.005 0.000 0.301 667 S C -0.263 174.383 174.600 0.077 0.000 1.116 667 S CA 0.084 58.337 58.200 0.089 0.000 1.093 667 S CB 0.582 63.841 63.200 0.099 0.000 1.017 667 S HN 1.304 nan 8.310 nan 0.000 0.482 668 T N 4.199 118.792 114.554 0.064 0.000 2.934 668 T HA 0.470 4.823 4.350 0.005 0.000 0.328 668 T C 0.839 175.541 174.700 0.003 0.000 1.068 668 T CA -0.785 61.346 62.100 0.051 0.000 1.018 668 T CB 0.449 69.361 68.868 0.074 0.000 1.009 668 T HN 0.453 nan 8.240 nan 0.000 0.471 669 I N 1.888 122.447 120.570 -0.018 0.000 2.512 669 I HA 0.241 4.414 4.170 0.005 0.000 0.247 669 I C 1.342 177.340 176.117 -0.198 0.000 1.094 669 I CA 0.026 61.256 61.300 -0.116 0.000 1.427 669 I CB -0.503 37.407 38.000 -0.151 0.000 1.149 669 I HN 0.617 nan 8.210 nan 0.000 0.438 670 I N 2.083 122.580 120.570 -0.122 0.000 2.710 670 I HA -0.107 4.066 4.170 0.005 0.000 0.286 670 I C 1.117 177.132 176.117 -0.170 0.000 1.181 670 I CA 0.535 61.774 61.300 -0.103 0.000 1.430 670 I CB 0.557 38.573 38.000 0.026 0.000 1.367 670 I HN 0.231 nan 8.210 nan 0.000 0.577 671 S N 2.774 118.330 115.700 -0.239 0.000 2.847 671 S HA 0.062 4.535 4.470 0.005 0.000 0.254 671 S C 0.192 174.701 174.600 -0.152 0.000 1.039 671 S CA -0.561 57.345 58.200 -0.490 0.000 1.113 671 S CB -0.417 62.191 63.200 -0.985 0.000 1.092 671 S HN 0.733 nan 8.310 nan 0.000 0.620 672 H N 2.748 121.757 119.070 -0.102 0.000 3.125 672 H HA 0.264 4.822 4.556 0.004 0.000 0.310 672 H C 0.646 175.986 175.328 0.019 0.000 0.980 672 H CA 2.029 58.060 56.048 -0.029 0.000 1.422 672 H CB 0.037 29.790 29.762 -0.015 0.000 1.432 672 H HN 0.296 nan 8.280 nan 0.000 0.577 673 D N 3.407 123.519 120.400 -0.481 0.000 3.041 673 D HA -0.224 4.419 4.640 0.005 0.000 0.220 673 D C -0.460 175.808 176.300 -0.054 0.000 1.157 673 D CA 1.440 55.240 54.000 -0.333 0.000 0.876 673 D CB -1.354 39.202 40.800 -0.406 0.000 1.107 673 D HN 0.906 nan 8.370 nan 0.000 0.422 674 D N -1.562 118.878 120.400 0.067 0.000 2.837 674 D HA -0.256 4.387 4.640 0.005 0.000 0.230 674 D C 1.320 177.762 176.300 0.237 0.000 1.152 674 D CA 0.922 55.075 54.000 0.255 0.000 0.736 674 D CB -1.290 39.629 40.800 0.199 0.000 1.084 674 D HN 0.521 nan 8.370 nan 0.000 0.429 675 I N 1.062 121.744 120.570 0.188 0.000 2.361 675 I HA -0.273 3.900 4.170 0.005 0.000 0.251 675 I C 2.412 178.629 176.117 0.166 0.000 1.133 675 I CA 1.853 63.237 61.300 0.139 0.000 1.413 675 I CB -0.161 37.901 38.000 0.105 0.000 1.073 675 I HN 0.268 nan 8.210 nan 0.000 0.424 676 H N -0.751 118.266 119.070 -0.088 0.000 2.321 676 H HA -0.201 4.358 4.556 0.004 0.000 0.300 676 H C 1.925 177.176 175.328 -0.129 0.000 1.087 676 H CA 2.114 58.067 56.048 -0.160 0.000 1.319 676 H CB -1.839 27.745 29.762 -0.297 0.000 1.379 676 H HN 0.375 nan 8.280 nan 0.000 0.501 677 Y N 1.477 121.545 120.300 -0.387 0.000 2.352 677 Y HA 0.017 4.569 4.550 0.004 0.000 0.292 677 Y C 2.671 178.507 175.900 -0.107 0.000 1.136 677 Y CA 0.783 58.707 58.100 -0.293 0.000 1.227 677 Y CB -0.147 38.096 38.460 -0.362 0.000 0.991 677 Y HN 0.182 nan 8.280 nan 0.000 0.545 678 K N -0.194 120.259 120.400 0.088 0.000 2.097 678 K HA -0.131 4.192 4.320 0.005 0.000 0.205 678 K C 1.654 178.293 176.600 0.065 0.000 1.050 678 K CA 1.229 57.559 56.287 0.071 0.000 0.938 678 K CB -0.107 32.432 32.500 0.065 0.000 0.718 678 K HN 0.209 nan 8.250 nan 0.000 0.442 679 N N 0.663 119.402 118.700 0.065 0.000 2.331 679 N HA -0.056 4.687 4.740 0.005 0.000 0.180 679 N C 1.607 177.158 175.510 0.069 0.000 1.019 679 N CA 1.055 54.143 53.050 0.063 0.000 0.881 679 N CB 0.023 38.547 38.487 0.063 0.000 0.972 679 N HN 0.222 nan 8.380 nan 0.000 0.435 680 M N 0.351 119.993 119.600 0.071 0.000 2.132 680 M HA -0.100 4.383 4.480 0.005 0.000 0.263 680 M C 2.133 178.489 176.300 0.094 0.000 1.065 680 M CA 1.270 56.618 55.300 0.081 0.000 1.122 680 M CB -0.137 32.513 32.600 0.083 0.000 1.365 680 M HN -0.033 nan 8.290 nan 0.000 0.411 681 K N 0.530 120.980 120.400 0.082 0.000 2.057 681 K HA -0.123 4.200 4.320 0.005 0.000 0.206 681 K C 2.014 178.688 176.600 0.123 0.000 1.050 681 K CA 1.339 57.684 56.287 0.097 0.000 0.935 681 K CB 0.083 32.619 32.500 0.060 0.000 0.715 681 K HN 0.081 nan 8.250 nan 0.000 0.439 682 R N 0.508 121.059 120.500 0.085 0.000 2.096 682 R HA -0.116 4.226 4.340 0.005 0.000 0.240 682 R C 2.248 178.587 176.300 0.066 0.000 1.139 682 R CA 2.053 58.193 56.100 0.067 0.000 0.952 682 R CB -0.368 29.964 30.300 0.052 0.000 0.854 682 R HN 0.265 nan 8.270 nan 0.000 0.436 683 I N -0.873 119.746 120.570 0.081 0.000 2.179 683 I HA -0.300 3.873 4.170 0.005 0.000 0.242 683 I C 2.410 178.578 176.117 0.085 0.000 1.088 683 I CA 1.668 63.014 61.300 0.076 0.000 1.357 683 I CB -0.425 37.627 38.000 0.087 0.000 1.051 683 I HN 0.309 nan 8.210 nan 0.000 0.409 684 H N 1.306 120.396 119.070 0.034 0.000 2.293 684 H HA -0.184 4.375 4.556 0.005 0.000 0.300 684 H C 2.102 177.444 175.328 0.024 0.000 1.082 684 H CA 2.088 58.155 56.048 0.031 0.000 1.308 684 H CB -0.047 29.731 29.762 0.027 0.000 1.375 684 H HN 0.280 nan 8.280 nan 0.000 0.495 685 E N 0.089 120.258 120.200 -0.053 0.000 2.077 685 E HA -0.160 4.193 4.350 0.005 0.000 0.193 685 E C 2.433 178.968 176.600 -0.107 0.000 0.989 685 E CA 1.201 57.539 56.400 -0.102 0.000 0.800 685 E CB -0.085 29.634 29.700 0.031 0.000 0.746 685 E HN 0.485 nan 8.360 nan 0.000 0.452 686 L N 0.472 121.664 121.223 -0.052 0.000 2.083 686 L HA -0.185 4.158 4.340 0.005 0.000 0.209 686 L C 2.533 179.368 176.870 -0.059 0.000 1.083 686 L CA 0.871 55.688 54.840 -0.039 0.000 0.752 686 L CB -0.371 41.682 42.059 -0.008 0.000 0.899 686 L HN 0.150 nan 8.230 nan 0.000 0.433 687 A N -0.426 122.346 122.820 -0.081 0.000 1.877 687 A HA -0.166 4.156 4.320 0.005 0.000 0.216 687 A C 2.315 179.835 177.584 -0.106 0.000 1.186 687 A CA 1.854 53.846 52.037 -0.076 0.000 0.620 687 A CB -0.867 18.097 19.000 -0.061 0.000 0.822 687 A HN 0.167 nan 8.150 nan 0.000 0.443 688 V N 0.551 120.347 119.914 -0.196 0.000 2.220 688 V HA -0.338 3.785 4.120 0.005 0.000 0.246 688 V C 2.649 178.690 176.094 -0.089 0.000 1.049 688 V CA 2.515 64.717 62.300 -0.165 0.000 1.003 688 V CB -0.888 30.791 31.823 -0.240 0.000 0.634 688 V HN 0.867 nan 8.190 nan 0.000 0.444 689 E N -0.005 120.147 120.200 -0.081 0.000 2.147 689 E HA -0.303 4.050 4.350 0.005 0.000 0.199 689 E C 1.955 178.534 176.600 -0.034 0.000 1.005 689 E CA 1.487 57.859 56.400 -0.046 0.000 0.810 689 E CB -0.099 29.579 29.700 -0.036 0.000 0.736 689 E HN 0.418 nan 8.360 nan 0.000 0.460 690 K N -0.330 120.048 120.400 -0.037 0.000 2.486 690 K HA 0.017 4.339 4.320 0.005 0.000 0.194 690 K C 0.972 177.559 176.600 -0.022 0.000 1.033 690 K CA 0.814 57.086 56.287 -0.025 0.000 1.004 690 K CB 0.188 32.675 32.500 -0.022 0.000 0.798 690 K HN 0.369 nan 8.250 nan 0.000 0.495 691 G N 2.550 111.333 108.800 -0.028 0.000 2.289 691 G HA2 -0.224 3.739 3.960 0.005 0.000 0.280 691 G HA3 -0.224 3.739 3.960 0.005 0.000 0.280 691 G C 0.498 175.389 174.900 -0.015 0.000 1.089 691 G CA 0.591 45.679 45.100 -0.021 0.000 0.939 691 G HN 0.490 nan 8.290 nan 0.000 0.499 692 I N -4.760 115.799 120.570 -0.018 0.000 4.670 692 I HA 0.432 4.605 4.170 0.005 0.000 0.339 692 I C 1.855 177.972 176.117 -0.001 0.000 1.310 692 I CA 0.004 61.300 61.300 -0.007 0.000 1.288 692 I CB 0.130 38.127 38.000 -0.004 0.000 1.427 692 I HN 0.028 nan 8.210 nan 0.000 0.494 693 R N 3.144 123.635 120.500 -0.015 0.000 2.127 693 R HA -0.196 4.147 4.340 0.005 0.000 0.238 693 R C 1.758 178.076 176.300 0.031 0.000 1.134 693 R CA 2.544 58.643 56.100 -0.002 0.000 0.975 693 R CB -0.722 29.545 30.300 -0.056 0.000 0.865 693 R HN 0.738 nan 8.270 nan 0.000 0.447 694 D N -0.587 119.826 120.400 0.021 0.000 2.277 694 D HA -0.121 4.522 4.640 0.005 0.000 0.208 694 D C 0.231 176.546 176.300 0.025 0.000 0.962 694 D CA 0.799 54.815 54.000 0.027 0.000 0.865 694 D CB -0.027 40.785 40.800 0.018 0.000 0.939 694 D HN 0.254 nan 8.370 nan 0.000 0.510 695 K N 0.141 120.554 120.400 0.021 0.000 2.699 695 K HA 0.434 4.757 4.320 0.005 0.000 0.210 695 K C -0.266 176.348 176.600 0.023 0.000 1.076 695 K CA -0.170 56.127 56.287 0.017 0.000 1.109 695 K CB 1.175 33.681 32.500 0.010 0.000 0.862 695 K HN 0.141 nan 8.250 nan 0.000 0.470 696 I N 0.351 120.943 120.570 0.036 0.000 2.842 696 I HA 0.288 4.460 4.170 0.005 0.000 0.297 696 I C -1.586 174.577 176.117 0.077 0.000 1.380 696 I CA -0.928 60.402 61.300 0.049 0.000 1.018 696 I CB 2.063 40.094 38.000 0.051 0.000 1.311 696 I HN 0.016 nan 8.210 nan 0.000 0.439 697 M N 6.867 126.520 119.600 0.087 0.000 2.318 697 M HA 0.536 5.019 4.480 0.005 0.000 0.347 697 M C -1.055 175.378 176.300 0.222 0.000 1.175 697 M CA -0.400 54.991 55.300 0.151 0.000 1.075 697 M CB 1.551 34.190 32.600 0.065 0.000 1.614 697 M HN 0.295 nan 8.290 nan 0.000 0.456 698 I N 1.993 122.739 120.570 0.294 0.000 2.468 698 I HA 0.456 4.629 4.170 0.005 0.000 0.284 698 I C 0.030 176.305 176.117 0.263 0.000 1.038 698 I CA -0.572 60.877 61.300 0.249 0.000 1.083 698 I CB 1.803 39.911 38.000 0.180 0.000 1.223 698 I HN 0.759 nan 8.210 nan 0.000 0.443 699 G N 5.000 113.966 108.800 0.275 0.000 2.415 699 G HA2 0.621 4.584 3.960 0.005 0.000 0.327 699 G HA3 0.621 4.584 3.960 0.005 0.000 0.327 699 G C -1.044 173.974 174.900 0.195 0.000 1.182 699 G CA -0.272 44.949 45.100 0.202 0.000 0.924 699 G HN 0.621 nan 8.290 nan 0.000 0.470 700 C N 0.669 120.081 119.300 0.186 0.000 2.634 700 C HA 1.012 5.475 4.460 0.005 0.000 0.313 700 C C 0.659 175.781 174.990 0.220 0.000 1.198 700 C CA -0.341 58.773 59.018 0.161 0.000 1.605 700 C CB 1.401 29.201 27.740 0.100 0.000 2.196 700 C HN 1.075 nan 8.230 nan 0.000 0.486 701 G N 0.167 109.072 108.800 0.175 0.000 2.695 701 G HA2 0.900 4.863 3.960 0.005 0.000 0.290 701 G HA3 0.900 4.863 3.960 0.005 0.000 0.290 701 G C -0.855 174.108 174.900 0.104 0.000 1.410 701 G CA -0.005 45.205 45.100 0.183 0.000 0.844 701 G HN 1.501 nan 8.290 nan 0.000 0.478 702 G N -1.811 107.041 108.800 0.086 0.000 2.340 702 G HA2 0.462 4.425 3.960 0.005 0.000 0.300 702 G HA3 0.462 4.425 3.960 0.005 0.000 0.300 702 G C 0.472 175.382 174.900 0.017 0.000 1.488 702 G CA 0.547 45.668 45.100 0.036 0.000 0.878 702 G HN 0.918 nan 8.290 nan 0.000 0.618 703 T N 0.438 114.975 114.554 -0.029 0.000 2.833 703 T HA -0.078 4.275 4.350 0.005 0.000 0.269 703 T C 1.633 176.315 174.700 -0.030 0.000 1.054 703 T CA 1.691 63.771 62.100 -0.034 0.000 1.135 703 T CB -0.034 68.790 68.868 -0.073 0.000 0.869 703 T HN 0.387 nan 8.240 nan 0.000 0.466 704 Q N 0.584 120.348 119.800 -0.061 0.000 2.198 704 Q HA 0.282 4.625 4.340 0.005 0.000 0.209 704 Q C -0.236 175.812 176.000 0.080 0.000 0.848 704 Q CA -0.011 55.771 55.803 -0.034 0.000 0.974 704 Q CB 0.485 29.115 28.738 -0.180 0.000 1.115 704 Q HN 0.330 nan 8.270 nan 0.000 0.494 705 V N 2.223 122.181 119.914 0.073 0.000 2.408 705 V HA 0.145 4.268 4.120 0.005 0.000 0.267 705 V C 0.382 176.554 176.094 0.129 0.000 1.047 705 V CA 0.126 62.480 62.300 0.089 0.000 0.937 705 V CB 1.077 32.933 31.823 0.055 0.000 0.999 705 V HN 0.062 nan 8.190 nan 0.000 0.472 706 T N 9.289 123.978 114.554 0.226 0.000 2.728 706 T HA 0.218 4.571 4.350 0.005 0.000 0.296 706 T C -1.547 173.182 174.700 0.049 0.000 0.940 706 T CA -0.978 61.189 62.100 0.112 0.000 1.013 706 T CB 1.576 70.503 68.868 0.100 0.000 0.912 706 T HN 0.461 nan 8.240 nan 0.000 0.484 707 P HA -0.152 nan 4.420 nan 0.000 0.216 707 P C 1.271 178.497 177.300 -0.125 0.000 1.154 707 P CA 1.104 64.122 63.100 -0.136 0.000 0.865 707 P CB 0.303 31.880 31.700 -0.206 0.000 0.789 708 E N -0.816 119.322 120.200 -0.102 0.000 2.051 708 E HA -0.129 4.224 4.350 0.005 0.000 0.192 708 E C 1.995 178.511 176.600 -0.140 0.000 0.991 708 E CA 1.093 57.426 56.400 -0.111 0.000 0.799 708 E CB -1.243 28.401 29.700 -0.093 0.000 0.748 708 E HN 0.019 nan 8.360 nan 0.000 0.449 709 V N 0.890 120.705 119.914 -0.166 0.000 2.490 709 V HA -0.253 3.870 4.120 0.005 0.000 0.250 709 V C 2.136 178.030 176.094 -0.333 0.000 1.061 709 V CA 1.675 63.770 62.300 -0.342 0.000 1.064 709 V CB -0.863 30.610 31.823 -0.584 0.000 0.670 709 V HN 0.337 nan 8.190 nan 0.000 0.461 710 A N -0.123 122.640 122.820 -0.095 0.000 1.873 710 A HA -0.123 4.200 4.320 0.005 0.000 0.215 710 A C 2.363 179.899 177.584 -0.081 0.000 1.186 710 A CA 1.776 53.819 52.037 0.009 0.000 0.616 710 A CB -0.676 18.354 19.000 0.050 0.000 0.823 710 A HN 0.316 nan 8.150 nan 0.000 0.442 711 V N 0.615 120.458 119.914 -0.118 0.000 2.594 711 V HA -0.216 3.907 4.120 0.005 0.000 0.253 711 V C 2.180 178.193 176.094 -0.134 0.000 1.069 711 V CA 1.959 64.187 62.300 -0.121 0.000 1.082 711 V CB -0.592 31.159 31.823 -0.120 0.000 0.680 711 V HN 0.469 nan 8.190 nan 0.000 0.469 712 K N -0.305 120.003 120.400 -0.152 0.000 2.504 712 K HA -0.067 4.256 4.320 0.005 0.000 0.195 712 K C 1.854 178.354 176.600 -0.167 0.000 1.036 712 K CA 0.528 56.719 56.287 -0.161 0.000 0.984 712 K CB 0.048 32.439 32.500 -0.182 0.000 0.788 712 K HN 0.470 nan 8.250 nan 0.000 0.488 713 Q N -1.004 118.702 119.800 -0.158 0.000 2.402 713 Q HA 0.069 4.412 4.340 0.005 0.000 0.206 713 Q C 1.360 177.232 176.000 -0.213 0.000 0.919 713 Q CA 0.830 56.554 55.803 -0.131 0.000 0.923 713 Q CB 1.052 29.760 28.738 -0.050 0.000 1.048 713 Q HN 0.492 nan 8.270 nan 0.000 0.515 714 G N 0.344 108.971 108.800 -0.289 0.000 2.296 714 G HA2 -0.211 3.752 3.960 0.005 0.000 0.188 714 G HA3 -0.211 3.752 3.960 0.005 0.000 0.188 714 G C 0.320 175.033 174.900 -0.312 0.000 1.000 714 G CA 0.070 44.802 45.100 -0.613 0.000 0.672 714 G HN 0.284 nan 8.290 nan 0.000 0.483 715 V N -1.296 118.557 119.914 -0.102 0.000 3.083 715 V HA 0.633 4.756 4.120 0.005 0.000 0.306 715 V C 1.164 177.261 176.094 0.006 0.000 1.077 715 V CA 0.503 62.814 62.300 0.018 0.000 1.073 715 V CB 1.257 33.102 31.823 0.037 0.000 1.081 715 V HN 0.011 nan 8.190 nan 0.000 0.474 716 D N 1.537 121.984 120.400 0.077 0.000 2.234 716 D HA 0.295 4.938 4.640 0.005 0.000 0.205 716 D C 0.672 176.937 176.300 -0.058 0.000 0.962 716 D CA 1.867 55.936 54.000 0.116 0.000 0.855 716 D CB 0.588 41.604 40.800 0.360 0.000 0.951 716 D HN 1.003 nan 8.370 nan 0.000 0.500 717 A N -0.405 122.258 122.820 -0.263 0.000 2.605 717 A HA 0.610 4.933 4.320 0.005 0.000 0.294 717 A C -0.380 176.903 177.584 -0.502 0.000 1.062 717 A CA -0.287 51.416 52.037 -0.556 0.000 0.682 717 A CB 1.544 19.857 19.000 -1.145 0.000 1.278 717 A HN 0.067 nan 8.150 nan 0.000 0.410 718 G N -0.504 107.941 108.800 -0.591 0.000 2.473 718 G HA2 0.748 4.711 3.960 0.005 0.000 0.321 718 G HA3 0.748 4.711 3.960 0.005 0.000 0.321 718 G C -1.370 173.070 174.900 -0.766 0.000 1.200 718 G CA -0.594 44.266 45.100 -0.401 0.000 0.963 718 G HN 0.558 nan 8.290 nan 0.000 0.483 719 F N -0.011 119.905 119.950 -0.056 0.000 2.573 719 F HA 0.606 5.136 4.527 0.005 0.000 0.316 719 F C 0.709 176.506 175.800 -0.005 0.000 1.148 719 F CA -0.537 57.441 58.000 -0.035 0.000 0.940 719 F CB 2.438 41.428 39.000 -0.016 0.000 1.214 719 F HN 0.771 nan 8.300 nan 0.000 0.448 720 G N 1.597 110.477 108.800 0.133 0.000 2.890 720 G HA2 0.479 4.441 3.960 0.005 0.000 0.189 720 G HA3 0.479 4.441 3.960 0.005 0.000 0.189 720 G C -0.525 174.427 174.900 0.086 0.000 1.342 720 G CA -1.117 44.036 45.100 0.088 0.000 1.026 720 G HN 0.501 nan 8.290 nan 0.000 0.579 721 R N -0.390 120.142 120.500 0.053 0.000 2.566 721 R HA 0.268 4.611 4.340 0.005 0.000 0.273 721 R C 1.292 177.628 176.300 0.061 0.000 0.981 721 R CA 1.445 57.572 56.100 0.045 0.000 1.091 721 R CB 0.032 30.348 30.300 0.026 0.000 0.924 721 R HN 1.209 nan 8.270 nan 0.000 0.411 722 G N 1.954 110.795 108.800 0.069 0.000 2.148 722 G HA2 -0.303 3.660 3.960 0.005 0.000 0.254 722 G HA3 -0.303 3.660 3.960 0.005 0.000 0.254 722 G C -0.034 174.970 174.900 0.174 0.000 0.981 722 G CA 0.314 45.469 45.100 0.092 0.000 0.670 722 G HN 0.579 nan 8.290 nan 0.000 0.528 723 S N 0.325 116.140 115.700 0.191 0.000 2.562 723 S HA 0.494 4.967 4.470 0.005 0.000 0.281 723 S C 0.543 175.296 174.600 0.255 0.000 1.333 723 S CA 0.213 58.614 58.200 0.336 0.000 1.052 723 S CB 1.349 64.711 63.200 0.271 0.000 0.884 723 S HN 0.568 nan 8.310 nan 0.000 0.506 724 K N 0.599 121.150 120.400 0.251 0.000 2.352 724 K HA 0.498 4.821 4.320 0.005 0.000 0.240 724 K C 1.533 178.074 176.600 -0.098 0.000 1.017 724 K CA -0.823 55.426 56.287 -0.063 0.000 0.851 724 K CB 0.883 33.233 32.500 -0.249 0.000 1.261 724 K HN 0.567 nan 8.250 nan 0.000 0.451 725 G N 0.937 109.715 108.800 -0.037 0.000 2.469 725 G HA2 -0.257 3.705 3.960 0.005 0.000 0.220 725 G HA3 -0.257 3.705 3.960 0.005 0.000 0.220 725 G C 1.309 176.259 174.900 0.083 0.000 1.136 725 G CA 1.073 46.199 45.100 0.044 0.000 0.759 725 G HN 0.567 nan 8.290 nan 0.000 0.562 726 I N 0.558 121.133 120.570 0.008 0.000 2.208 726 I HA -0.155 4.018 4.170 0.005 0.000 0.245 726 I C 2.535 178.625 176.117 -0.045 0.000 1.097 726 I CA 1.654 62.928 61.300 -0.044 0.000 1.363 726 I CB -0.502 37.460 38.000 -0.064 0.000 1.051 726 I HN 0.403 nan 8.210 nan 0.000 0.413 727 H N -1.087 118.034 119.070 0.085 0.000 2.352 727 H HA -0.128 4.431 4.556 0.005 0.000 0.299 727 H C 2.215 177.645 175.328 0.170 0.000 1.097 727 H CA 1.605 57.743 56.048 0.150 0.000 1.311 727 H CB -0.329 29.558 29.762 0.209 0.000 1.377 727 H HN 0.264 nan 8.280 nan 0.000 0.504 728 V N 0.852 120.812 119.914 0.078 0.000 2.323 728 V HA -0.205 3.918 4.120 0.005 0.000 0.244 728 V C 2.629 178.804 176.094 0.136 0.000 1.041 728 V CA 1.540 63.806 62.300 -0.057 0.000 1.025 728 V CB -0.836 30.832 31.823 -0.257 0.000 0.656 728 V HN 0.556 nan 8.190 nan 0.000 0.451 729 A N -0.290 122.547 122.820 0.028 0.000 1.969 729 A HA -0.174 4.149 4.320 0.005 0.000 0.218 729 A C 2.372 179.910 177.584 -0.075 0.000 1.169 729 A CA 2.244 54.241 52.037 -0.068 0.000 0.635 729 A CB -0.804 18.020 19.000 -0.294 0.000 0.810 729 A HN 0.497 nan 8.150 nan 0.000 0.445 730 T N -0.498 114.053 114.554 -0.006 0.000 2.701 730 T HA -0.110 4.243 4.350 0.005 0.000 0.263 730 T C 1.601 176.371 174.700 0.116 0.000 1.040 730 T CA 1.544 63.666 62.100 0.035 0.000 1.147 730 T CB -0.442 68.483 68.868 0.096 0.000 0.865 730 T HN 0.561 nan 8.240 nan 0.000 0.426 731 F N 2.245 122.266 119.950 0.119 0.000 2.043 731 F HA -0.154 4.377 4.527 0.005 0.000 0.297 731 F C 1.927 177.787 175.800 0.099 0.000 1.118 731 F CA 1.349 59.443 58.000 0.156 0.000 1.202 731 F CB -0.888 38.319 39.000 0.347 0.000 0.965 731 F HN 0.057 nan 8.300 nan 0.000 0.482 732 L N -0.394 120.599 121.223 -0.383 0.000 2.079 732 L HA -0.239 4.104 4.340 0.005 0.000 0.210 732 L C 2.428 179.101 176.870 -0.328 0.000 1.081 732 L CA 1.169 55.692 54.840 -0.527 0.000 0.752 732 L CB -0.799 41.161 42.059 -0.165 0.000 0.896 732 L HN 0.161 nan 8.230 nan 0.000 0.433 733 V N -0.442 119.358 119.914 -0.189 0.000 2.346 733 V HA -0.217 3.906 4.120 0.005 0.000 0.244 733 V C 2.413 178.439 176.094 -0.113 0.000 1.037 733 V CA 1.580 63.804 62.300 -0.127 0.000 1.029 733 V CB -0.240 31.524 31.823 -0.097 0.000 0.663 733 V HN 0.371 nan 8.190 nan 0.000 0.454 734 K N 0.203 120.545 120.400 -0.096 0.000 2.025 734 K HA -0.216 4.107 4.320 0.005 0.000 0.207 734 K C 2.217 178.770 176.600 -0.078 0.000 1.049 734 K CA 1.599 57.852 56.287 -0.056 0.000 0.933 734 K CB -0.247 32.251 32.500 -0.003 0.000 0.714 734 K HN 0.171 nan 8.250 nan 0.000 0.438 735 K N 1.634 121.942 120.400 -0.153 0.000 2.063 735 K HA -0.162 4.161 4.320 0.005 0.000 0.208 735 K C 2.004 178.531 176.600 -0.122 0.000 1.048 735 K CA 1.479 57.677 56.287 -0.148 0.000 0.928 735 K CB -0.126 32.182 32.500 -0.320 0.000 0.713 735 K HN -0.021 nan 8.250 nan 0.000 0.442 736 R N 0.219 120.626 120.500 -0.155 0.000 2.096 736 R HA -0.074 4.269 4.340 0.005 0.000 0.235 736 R C 2.108 178.373 176.300 -0.058 0.000 1.127 736 R CA 1.456 57.497 56.100 -0.098 0.000 0.968 736 R CB -0.055 30.183 30.300 -0.103 0.000 0.861 736 R HN 0.188 nan 8.270 nan 0.000 0.440 737 R N 0.295 120.762 120.500 -0.055 0.000 2.062 737 R HA -0.103 4.239 4.340 0.005 0.000 0.231 737 R C 2.149 178.435 176.300 -0.023 0.000 1.136 737 R CA 1.423 57.502 56.100 -0.033 0.000 0.948 737 R CB -0.401 29.881 30.300 -0.030 0.000 0.845 737 R HN 0.320 nan 8.270 nan 0.000 0.430 738 E N 0.694 120.880 120.200 -0.022 0.000 2.492 738 E HA -0.183 4.170 4.350 0.005 0.000 0.204 738 E C 0.906 177.503 176.600 -0.006 0.000 1.073 738 E CA 0.804 57.199 56.400 -0.009 0.000 0.887 738 E CB 0.105 29.804 29.700 -0.001 0.000 0.813 738 E HN 0.342 nan 8.360 nan 0.000 0.562 739 M N -0.216 119.377 119.600 -0.013 0.000 2.475 739 M HA 0.185 4.668 4.480 0.005 0.000 0.283 739 M C 0.534 176.830 176.300 -0.005 0.000 1.165 739 M CA 0.126 55.422 55.300 -0.006 0.000 0.976 739 M CB 0.935 33.529 32.600 -0.010 0.000 1.428 739 M HN 0.031 nan 8.290 nan 0.000 0.495 740 R N 0.000 120.496 120.500 -0.006 0.000 2.786 740 R HA 0.000 4.343 4.340 0.005 0.000 0.208 740 R CA 0.000 56.097 56.100 -0.005 0.000 0.921 740 R CB 0.000 30.296 30.300 -0.007 0.000 0.687 740 R HN 0.000 nan 8.270 nan 0.000 0.535