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 3fks_1_F DATA FIRST_RESID 5 DATA SEQUENCE QSTPITGKVT AVIGAIVDVH FEQSELPAIL NALEIKTPQG KLVLEVAQHL DATA SEQUENCE GENTVRTIAM DGTEGLVRGE KVLDTGGPIS VPVGRETLGR IINVIGEPID DATA SEQUENCE ERGPIKSKLR KPIHADPPSF AEQSTSAEIL ETGIKVVDLL APYARGGKIG DATA SEQUENCE LFGGAGVGKT VFIQELINNI AKAHGGFSVF TGVGERTREG NDLYREMKET DATA SEQUENCE GVINLEGESK VALVFGQMNE PPGARARVAL TGLTIAEYFR DEEGQDVLLF DATA SEQUENCE IDNIFRFTQA GSEVSALLGR IPSAVGYQPT LATDMGLLQE RITTTKKGSV DATA SEQUENCE TSVQAVYVPA DDLTDPAPAT TFAHLDATTV LSRGISELGI YPAVDPLDSK DATA SEQUENCE SRLLDAAVVG QEHYDVASKV QETLQTYKSL QDIIAILGMD ELSEQDKLTV DATA SEQUENCE ERARKIQRFL SQPFAVAEVF TGIPGKLVRL KDTVASFKAV LEGKYDNIPE DATA SEQUENCE HAFYMVGGIE DVVAKAEKLA A 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 5 Q HA 0.000 nan 4.340 nan 0.000 0.214 5 Q C 0.000 176.003 176.000 0.006 0.000 1.003 5 Q CA 0.000 55.806 55.803 0.005 0.000 1.022 5 Q CB 0.000 28.740 28.738 0.003 0.000 1.108 6 S N -0.961 114.742 115.700 0.004 0.000 2.723 6 S HA -0.255 4.219 4.470 0.007 0.000 0.261 6 S C 0.383 174.989 174.600 0.009 0.000 1.294 6 S CA 1.940 60.143 58.200 0.005 0.000 1.467 6 S CB -1.643 61.559 63.200 0.004 0.000 1.849 6 S HN 0.891 nan 8.310 nan 0.000 0.672 7 T N 5.255 119.816 114.554 0.012 0.000 2.743 7 T HA 0.475 4.829 4.350 0.007 0.000 0.290 7 T C -2.003 172.713 174.700 0.027 0.000 0.908 7 T CA -1.107 61.004 62.100 0.018 0.000 1.092 7 T CB 0.320 69.199 68.868 0.018 0.000 0.882 7 T HN 0.419 nan 8.240 nan 0.000 0.531 8 P HA 0.042 nan 4.420 nan 0.000 0.256 8 P C 0.189 177.535 177.300 0.077 0.000 1.173 8 P CA -0.421 62.707 63.100 0.047 0.000 0.768 8 P CB 0.040 31.769 31.700 0.048 0.000 0.758 9 I N 4.294 124.923 120.570 0.098 0.000 2.872 9 I HA 0.002 4.176 4.170 0.007 0.000 0.291 9 I C 0.556 176.837 176.117 0.273 0.000 1.216 9 I CA 0.728 62.129 61.300 0.167 0.000 1.424 9 I CB 0.438 38.545 38.000 0.178 0.000 1.351 9 I HN 0.451 nan 8.210 nan 0.000 0.592 10 T N 3.983 118.643 114.554 0.176 0.000 2.895 10 T HA 0.851 5.205 4.350 0.007 0.000 0.283 10 T C -0.051 174.462 174.700 -0.312 0.000 1.014 10 T CA -0.440 61.670 62.100 0.018 0.000 1.037 10 T CB 1.403 70.255 68.868 -0.026 0.000 1.006 10 T HN 0.892 nan 8.240 nan 0.000 0.468 11 G N 0.964 109.309 108.800 -0.758 0.000 2.537 11 G HA2 0.665 4.630 3.960 0.007 0.000 0.308 11 G HA3 0.665 4.630 3.960 0.007 0.000 0.308 11 G C -1.369 173.218 174.900 -0.521 0.000 1.237 11 G CA -1.206 43.151 45.100 -1.238 0.000 0.968 11 G HN 0.745 nan 8.290 nan 0.000 0.481 12 K N 0.554 120.748 120.400 -0.343 0.000 2.323 12 K HA 0.461 4.786 4.320 0.007 0.000 0.259 12 K C -0.532 176.007 176.600 -0.102 0.000 0.947 12 K CA -0.722 55.472 56.287 -0.155 0.000 0.819 12 K CB 2.797 35.253 32.500 -0.072 0.000 1.109 12 K HN 0.245 nan 8.250 nan 0.000 0.429 13 V N 2.966 122.831 119.914 -0.081 0.000 2.540 13 V HA -0.068 4.056 4.120 0.007 0.000 0.297 13 V C 1.292 177.366 176.094 -0.032 0.000 1.024 13 V CA 0.728 62.999 62.300 -0.048 0.000 1.105 13 V CB 0.579 32.378 31.823 -0.039 0.000 0.938 13 V HN 1.066 nan 8.190 nan 0.000 0.482 14 T N 0.898 115.442 114.554 -0.017 0.000 2.964 14 T HA 0.561 4.915 4.350 0.007 0.000 0.249 14 T C 0.390 175.080 174.700 -0.016 0.000 1.000 14 T CA 0.488 62.576 62.100 -0.020 0.000 0.992 14 T CB 0.600 69.460 68.868 -0.014 0.000 1.087 14 T HN 0.990 nan 8.240 nan 0.000 0.489 15 A N 0.801 123.616 122.820 -0.008 0.000 2.488 15 A HA 0.708 5.032 4.320 0.007 0.000 0.298 15 A C -1.429 176.152 177.584 -0.005 0.000 1.044 15 A CA -0.696 51.338 52.037 -0.006 0.000 0.693 15 A CB 1.943 20.942 19.000 -0.002 0.000 1.272 15 A HN 0.290 nan 8.150 nan 0.000 0.402 16 V N 4.436 124.347 119.914 -0.006 0.000 2.398 16 V HA 0.424 4.549 4.120 0.007 0.000 0.282 16 V C -0.632 175.459 176.094 -0.004 0.000 1.014 16 V CA -0.334 61.963 62.300 -0.005 0.000 0.838 16 V CB 1.065 32.884 31.823 -0.007 0.000 1.018 16 V HN 0.813 nan 8.190 nan 0.000 0.432 17 I N 2.422 122.990 120.570 -0.003 0.000 2.420 17 I HA 0.814 4.989 4.170 0.007 0.000 0.282 17 I C 0.762 176.877 176.117 -0.004 0.000 1.019 17 I CA 0.162 61.460 61.300 -0.004 0.000 1.130 17 I CB 0.439 38.437 38.000 -0.003 0.000 1.262 17 I HN 0.733 nan 8.210 nan 0.000 0.454 18 G N 5.760 114.557 108.800 -0.004 0.000 2.660 18 G HA2 -0.393 3.571 3.960 0.007 0.000 0.321 18 G HA3 -0.393 3.571 3.960 0.007 0.000 0.321 18 G C 0.869 175.768 174.900 -0.003 0.000 1.246 18 G CA 1.643 46.740 45.100 -0.005 0.000 1.000 18 G HN 1.225 nan 8.290 nan 0.000 0.550 19 A N -0.719 122.100 122.820 -0.003 0.000 1.968 19 A HA 0.459 4.784 4.320 0.007 0.000 0.217 19 A C 1.344 178.930 177.584 0.003 0.000 1.169 19 A CA 1.658 53.695 52.037 0.000 0.000 0.638 19 A CB -0.148 18.851 19.000 -0.001 0.000 0.812 19 A HN 0.818 nan 8.150 nan 0.000 0.446 20 I N 0.616 121.187 120.570 0.001 0.000 2.471 20 I HA 0.214 4.388 4.170 0.007 0.000 0.286 20 I C -0.299 175.821 176.117 0.005 0.000 1.079 20 I CA 0.397 61.700 61.300 0.004 0.000 1.398 20 I CB 1.324 39.325 38.000 0.003 0.000 1.403 20 I HN -0.043 nan 8.210 nan 0.000 0.530 21 V N 5.759 125.677 119.914 0.008 0.000 2.604 21 V HA 0.434 4.558 4.120 0.007 0.000 0.305 21 V C -0.785 175.315 176.094 0.011 0.000 1.043 21 V CA -0.854 61.450 62.300 0.007 0.000 0.888 21 V CB 2.043 33.870 31.823 0.006 0.000 0.995 21 V HN 0.531 nan 8.190 nan 0.000 0.429 22 D N 2.900 123.305 120.400 0.010 0.000 2.256 22 D HA 0.576 5.221 4.640 0.007 0.000 0.240 22 D C -0.608 175.704 176.300 0.021 0.000 1.062 22 D CA -0.041 53.970 54.000 0.019 0.000 0.832 22 D CB 2.101 42.913 40.800 0.019 0.000 1.135 22 D HN 0.251 nan 8.370 nan 0.000 0.484 23 V N 2.148 122.085 119.914 0.038 0.000 2.555 23 V HA 0.326 4.451 4.120 0.007 0.000 0.302 23 V C -0.505 175.636 176.094 0.077 0.000 1.038 23 V CA -0.880 61.428 62.300 0.013 0.000 0.887 23 V CB 1.829 33.645 31.823 -0.011 0.000 0.991 23 V HN 0.553 nan 8.190 nan 0.000 0.434 24 H N 3.656 122.673 119.070 -0.088 0.000 2.511 24 H HA 0.655 5.215 4.556 0.007 0.000 0.328 24 H C -1.334 173.929 175.328 -0.108 0.000 1.044 24 H CA -0.480 55.559 56.048 -0.015 0.000 1.212 24 H CB 0.968 30.718 29.762 -0.020 0.000 1.428 24 H HN 0.448 nan 8.280 nan 0.000 0.483 25 F N 2.702 122.365 119.950 -0.477 0.000 2.403 25 F HA 0.202 4.734 4.527 0.007 0.000 0.326 25 F C 1.573 177.127 175.800 -0.409 0.000 1.081 25 F CA -0.526 57.286 58.000 -0.312 0.000 1.041 25 F CB 1.405 40.288 39.000 -0.194 0.000 1.234 25 F HN 0.639 nan 8.300 nan 0.000 0.503 26 E N 0.465 120.681 120.200 0.026 0.000 2.033 26 E HA -0.096 4.258 4.350 0.007 0.000 0.189 26 E C 0.623 177.246 176.600 0.039 0.000 0.979 26 E CA 0.793 57.222 56.400 0.048 0.000 0.802 26 E CB -0.158 29.582 29.700 0.067 0.000 0.763 26 E HN 0.755 nan 8.360 nan 0.000 0.449 27 Q N -0.443 119.388 119.800 0.051 0.000 2.162 27 Q HA 0.322 4.666 4.340 0.007 0.000 0.197 27 Q C 0.766 176.770 176.000 0.007 0.000 1.013 27 Q CA -0.268 55.553 55.803 0.030 0.000 1.040 27 Q CB 0.643 29.399 28.738 0.030 0.000 1.114 27 Q HN -0.182 nan 8.270 nan 0.000 0.547 28 S N -0.326 115.374 115.700 0.000 0.000 2.743 28 S HA 0.026 4.500 4.470 0.007 0.000 0.230 28 S C -0.548 174.035 174.600 -0.029 0.000 0.950 28 S CA -0.188 58.006 58.200 -0.010 0.000 0.976 28 S CB -0.116 63.084 63.200 -0.001 0.000 0.779 28 S HN 0.420 nan 8.310 nan 0.000 0.487 29 E N 1.953 122.125 120.200 -0.046 0.000 2.373 29 E HA 0.247 4.601 4.350 0.007 0.000 0.233 29 E C -1.068 175.416 176.600 -0.192 0.000 1.035 29 E CA -0.319 56.032 56.400 -0.082 0.000 0.930 29 E CB 0.521 30.186 29.700 -0.058 0.000 1.278 29 E HN 0.312 nan 8.360 nan 0.000 0.452 30 L N 3.402 124.510 121.223 -0.192 0.000 2.350 30 L HA 0.302 4.646 4.340 0.007 0.000 0.275 30 L C -1.849 174.834 176.870 -0.312 0.000 1.099 30 L CA -1.686 52.935 54.840 -0.364 0.000 0.808 30 L CB -0.094 41.864 42.059 -0.169 0.000 1.149 30 L HN 0.108 nan 8.230 nan 0.000 0.442 31 P HA 0.178 nan 4.420 nan 0.000 0.267 31 P C -0.640 176.622 177.300 -0.064 0.000 1.205 31 P CA -0.374 62.551 63.100 -0.290 0.000 0.765 31 P CB 0.794 32.287 31.700 -0.345 0.000 0.828 32 A N 3.853 126.688 122.820 0.025 0.000 2.327 32 A HA 0.335 4.659 4.320 0.007 0.000 0.255 32 A C 0.462 178.120 177.584 0.123 0.000 1.099 32 A CA -0.488 51.632 52.037 0.138 0.000 0.801 32 A CB -0.346 18.662 19.000 0.013 0.000 1.062 32 A HN 0.474 nan 8.150 nan 0.000 0.496 33 I N -0.210 120.439 120.570 0.132 0.000 2.813 33 I HA 0.077 4.251 4.170 0.007 0.000 0.287 33 I C 1.184 177.288 176.117 -0.022 0.000 1.196 33 I CA 0.890 62.224 61.300 0.057 0.000 1.421 33 I CB -0.049 37.972 38.000 0.035 0.000 1.365 33 I HN 0.680 nan 8.210 nan 0.000 0.591 34 L N 0.615 121.806 121.223 -0.053 0.000 4.982 34 L HA -0.298 4.046 4.340 0.007 0.000 0.402 34 L C 0.123 176.983 176.870 -0.016 0.000 0.863 34 L CA 0.329 55.107 54.840 -0.104 0.000 1.876 34 L CB -1.455 40.473 42.059 -0.218 0.000 1.554 34 L HN 0.729 nan 8.230 nan 0.000 0.603 35 N N 0.930 119.629 118.700 -0.002 0.000 2.508 35 N HA 0.519 5.264 4.740 0.007 0.000 0.264 35 N C 0.280 175.807 175.510 0.029 0.000 1.216 35 N CA 0.760 53.818 53.050 0.013 0.000 0.943 35 N CB 0.814 39.299 38.487 -0.003 0.000 1.113 35 N HN 0.307 nan 8.380 nan 0.000 0.447 36 A N 1.674 124.516 122.820 0.037 0.000 2.316 36 A HA 0.695 5.019 4.320 0.007 0.000 0.284 36 A C -0.368 177.247 177.584 0.052 0.000 1.115 36 A CA -0.386 51.679 52.037 0.046 0.000 0.812 36 A CB 0.248 19.274 19.000 0.044 0.000 1.064 36 A HN 0.604 nan 8.150 nan 0.000 0.489 37 L N 0.631 121.889 121.223 0.058 0.000 2.350 37 L HA 0.653 4.997 4.340 0.007 0.000 0.260 37 L C -0.376 176.525 176.870 0.052 0.000 1.015 37 L CA -0.541 54.343 54.840 0.074 0.000 0.821 37 L CB 2.398 44.517 42.059 0.101 0.000 1.370 37 L HN 0.826 nan 8.230 nan 0.000 0.416 38 E N 1.572 121.800 120.200 0.046 0.000 2.356 38 E HA 0.620 4.975 4.350 0.007 0.000 0.275 38 E C -1.566 175.043 176.600 0.015 0.000 0.904 38 E CA -0.648 55.769 56.400 0.028 0.000 0.757 38 E CB 3.397 33.113 29.700 0.026 0.000 1.232 38 E HN 0.361 nan 8.360 nan 0.000 0.442 39 I N 1.860 122.435 120.570 0.007 0.000 2.447 39 I HA 0.292 4.466 4.170 0.007 0.000 0.287 39 I C -0.448 175.668 176.117 -0.002 0.000 1.023 39 I CA -0.938 60.360 61.300 -0.003 0.000 1.083 39 I CB 1.693 39.688 38.000 -0.008 0.000 1.245 39 I HN 0.197 nan 8.210 nan 0.000 0.434 40 K N 3.844 124.241 120.400 -0.004 0.000 2.416 40 K HA 0.289 4.614 4.320 0.007 0.000 0.283 40 K C -0.007 176.590 176.600 -0.004 0.000 1.037 40 K CA 0.201 56.486 56.287 -0.003 0.000 0.995 40 K CB 0.814 33.312 32.500 -0.004 0.000 0.938 40 K HN 0.612 nan 8.250 nan 0.000 0.475 41 T N 1.849 116.401 114.554 -0.003 0.000 2.909 41 T HA 0.315 4.669 4.350 0.007 0.000 0.299 41 T C -1.880 172.818 174.700 -0.003 0.000 1.073 41 T CA -2.102 59.996 62.100 -0.003 0.000 0.999 41 T CB 1.347 70.213 68.868 -0.002 0.000 1.098 41 T HN 0.294 nan 8.240 nan 0.000 0.477 42 P HA -0.132 nan 4.420 nan 0.000 0.217 42 P C 1.140 178.438 177.300 -0.003 0.000 1.148 42 P CA 1.201 64.299 63.100 -0.003 0.000 0.828 42 P CB 0.344 32.042 31.700 -0.004 0.000 0.783 43 Q N -0.750 119.048 119.800 -0.002 0.000 1.994 43 Q HA 0.100 4.444 4.340 0.007 0.000 0.198 43 Q C 1.755 177.754 176.000 -0.001 0.000 0.976 43 Q CA 1.616 57.417 55.803 -0.002 0.000 0.828 43 Q CB -0.165 28.572 28.738 -0.002 0.000 0.894 43 Q HN 0.327 nan 8.270 nan 0.000 0.432 44 G N 0.191 108.991 108.800 -0.000 0.000 3.454 44 G HA2 0.231 4.196 3.960 0.007 0.000 0.162 44 G HA3 0.231 4.196 3.960 0.007 0.000 0.162 44 G C -1.414 173.487 174.900 0.002 0.000 1.223 44 G CA -0.439 44.661 45.100 0.001 0.000 1.394 44 G HN 0.139 nan 8.290 nan 0.000 0.709 45 K N -0.054 120.348 120.400 0.004 0.000 2.588 45 K HA 0.652 4.977 4.320 0.007 0.000 0.250 45 K C -1.798 174.807 176.600 0.008 0.000 0.972 45 K CA -0.788 55.503 56.287 0.006 0.000 0.821 45 K CB 2.503 35.007 32.500 0.008 0.000 1.249 45 K HN 0.435 nan 8.250 nan 0.000 0.442 46 L N 3.824 125.051 121.223 0.008 0.000 2.319 46 L HA 0.296 4.640 4.340 0.007 0.000 0.280 46 L C -0.571 176.309 176.870 0.016 0.000 1.099 46 L CA -0.149 54.697 54.840 0.010 0.000 0.828 46 L CB 1.379 43.442 42.059 0.007 0.000 1.150 46 L HN 0.573 nan 8.230 nan 0.000 0.442 47 V N 3.995 123.921 119.914 0.020 0.000 2.532 47 V HA 0.652 4.776 4.120 0.007 0.000 0.295 47 V C -0.219 175.894 176.094 0.031 0.000 1.041 47 V CA -0.849 61.467 62.300 0.027 0.000 0.926 47 V CB 1.423 33.263 31.823 0.028 0.000 0.992 47 V HN 0.661 nan 8.190 nan 0.000 0.457 48 L N 2.735 123.981 121.223 0.037 0.000 2.354 48 L HA 0.707 5.051 4.340 0.007 0.000 0.264 48 L C -0.361 176.537 176.870 0.047 0.000 1.008 48 L CA -0.496 54.368 54.840 0.040 0.000 0.819 48 L CB 2.330 44.413 42.059 0.040 0.000 1.339 48 L HN 0.876 nan 8.230 nan 0.000 0.420 49 E N 1.460 121.689 120.200 0.048 0.000 2.185 49 E HA 0.400 4.755 4.350 0.007 0.000 0.261 49 E C -1.274 175.347 176.600 0.035 0.000 0.879 49 E CA -0.739 55.691 56.400 0.051 0.000 0.756 49 E CB 1.976 31.722 29.700 0.078 0.000 1.152 49 E HN 0.339 nan 8.360 nan 0.000 0.416 50 V N 3.903 123.831 119.914 0.023 0.000 2.599 50 V HA 0.079 4.203 4.120 0.007 0.000 0.300 50 V C 0.972 177.073 176.094 0.012 0.000 1.034 50 V CA 1.130 63.435 62.300 0.008 0.000 1.115 50 V CB 0.838 32.656 31.823 -0.007 0.000 0.934 50 V HN 0.908 nan 8.190 nan 0.000 0.485 51 A N 3.937 126.766 122.820 0.015 0.000 2.070 51 A HA 0.329 4.653 4.320 0.007 0.000 0.202 51 A C 0.600 178.208 177.584 0.040 0.000 1.277 51 A CA 0.447 52.496 52.037 0.020 0.000 0.872 51 A CB 0.335 19.346 19.000 0.019 0.000 0.933 51 A HN 0.921 nan 8.150 nan 0.000 0.475 52 Q N -1.354 118.477 119.800 0.052 0.000 2.578 52 Q HA 0.345 4.690 4.340 0.007 0.000 0.284 52 Q C -1.784 174.276 176.000 0.100 0.000 0.960 52 Q CA -0.772 55.089 55.803 0.096 0.000 0.809 52 Q CB 0.676 29.449 28.738 0.059 0.000 1.462 52 Q HN 0.397 nan 8.270 nan 0.000 0.392 53 H N 2.066 121.134 119.070 -0.004 0.000 2.746 53 H HA 0.253 4.813 4.556 0.007 0.000 0.269 53 H C 0.696 176.030 175.328 0.010 0.000 1.248 53 H CA -0.177 55.871 56.048 -0.001 0.000 1.258 53 H CB 0.937 30.690 29.762 -0.016 0.000 1.441 53 H HN 0.549 nan 8.280 nan 0.000 0.508 54 L N 2.376 123.638 121.223 0.065 0.000 2.012 54 L HA -0.083 4.262 4.340 0.007 0.000 0.210 54 L C 1.270 178.179 176.870 0.065 0.000 1.073 54 L CA 1.374 56.248 54.840 0.056 0.000 0.748 54 L CB -0.079 42.004 42.059 0.040 0.000 0.891 54 L HN 0.784 nan 8.230 nan 0.000 0.431 55 G N -1.597 107.247 108.800 0.073 0.000 2.357 55 G HA2 -0.022 3.942 3.960 0.007 0.000 0.643 55 G HA3 -0.022 3.942 3.960 0.007 0.000 0.643 55 G C -0.416 174.532 174.900 0.080 0.000 1.358 55 G CA -0.480 44.664 45.100 0.073 0.000 0.986 55 G HN 0.205 nan 8.290 nan 0.000 0.620 56 E N 0.181 120.428 120.200 0.079 0.000 2.297 56 E HA -0.235 4.119 4.350 0.007 0.000 0.228 56 E C 0.411 177.097 176.600 0.144 0.000 1.213 56 E CA 0.630 57.092 56.400 0.103 0.000 0.712 56 E CB -1.065 28.695 29.700 0.100 0.000 1.202 56 E HN 1.047 nan 8.360 nan 0.000 0.376 57 N N -0.864 117.880 118.700 0.073 0.000 2.738 57 N HA -0.143 4.601 4.740 0.007 0.000 0.249 57 N C -1.085 174.410 175.510 -0.025 0.000 1.047 57 N CA 1.905 54.939 53.050 -0.026 0.000 0.707 57 N CB -1.189 37.213 38.487 -0.142 0.000 0.937 57 N HN 0.327 nan 8.380 nan 0.000 0.545 58 T N -0.900 113.688 114.554 0.057 0.000 2.991 58 T HA 0.584 4.938 4.350 0.007 0.000 0.303 58 T C 0.152 174.850 174.700 -0.004 0.000 1.015 58 T CA -0.728 61.424 62.100 0.086 0.000 1.007 58 T CB 2.569 71.523 68.868 0.143 0.000 1.034 58 T HN 0.164 nan 8.240 nan 0.000 0.446 59 V N 1.064 120.966 119.914 -0.021 0.000 2.680 59 V HA 0.761 4.886 4.120 0.007 0.000 0.309 59 V C -0.242 175.837 176.094 -0.026 0.000 1.052 59 V CA -1.313 60.916 62.300 -0.117 0.000 0.908 59 V CB 1.817 33.481 31.823 -0.265 0.000 1.001 59 V HN 0.877 nan 8.190 nan 0.000 0.431 60 R N 2.652 123.137 120.500 -0.025 0.000 2.265 60 R HA 0.707 5.052 4.340 0.007 0.000 0.319 60 R C -0.014 176.288 176.300 0.004 0.000 1.006 60 R CA 0.287 56.388 56.100 0.002 0.000 0.880 60 R CB 1.324 31.630 30.300 0.009 0.000 1.077 60 R HN 1.135 nan 8.270 nan 0.000 0.454 61 T N 1.313 115.875 114.554 0.013 0.000 2.926 61 T HA 0.573 4.927 4.350 0.007 0.000 0.289 61 T C 0.023 174.735 174.700 0.019 0.000 1.054 61 T CA -0.886 61.225 62.100 0.019 0.000 1.015 61 T CB 1.301 70.186 68.868 0.030 0.000 1.167 61 T HN 0.434 nan 8.240 nan 0.000 0.526 62 I N 1.168 121.753 120.570 0.025 0.000 2.433 62 I HA 0.613 4.787 4.170 0.007 0.000 0.292 62 I C 0.418 176.551 176.117 0.028 0.000 1.001 62 I CA -1.326 59.989 61.300 0.024 0.000 1.119 62 I CB 1.718 39.734 38.000 0.027 0.000 1.289 62 I HN 0.945 nan 8.210 nan 0.000 0.438 63 A N 5.341 128.174 122.820 0.021 0.000 2.302 63 A HA 0.590 4.914 4.320 0.007 0.000 0.285 63 A C 0.319 177.918 177.584 0.024 0.000 1.105 63 A CA -0.349 51.701 52.037 0.022 0.000 0.816 63 A CB 0.732 19.741 19.000 0.015 0.000 1.067 63 A HN 0.770 nan 8.150 nan 0.000 0.489 64 M N 0.712 120.327 119.600 0.025 0.000 2.371 64 M HA 0.270 4.755 4.480 0.007 0.000 0.246 64 M C -0.623 175.689 176.300 0.021 0.000 1.103 64 M CA 0.390 55.706 55.300 0.027 0.000 1.010 64 M CB -0.095 32.523 32.600 0.031 0.000 1.457 64 M HN 0.672 nan 8.290 nan 0.000 0.486 65 D N -1.671 118.739 120.400 0.017 0.000 2.622 65 D HA 0.336 4.981 4.640 0.007 0.000 0.255 65 D C -0.398 175.907 176.300 0.009 0.000 1.246 65 D CA -0.382 53.626 54.000 0.013 0.000 0.795 65 D CB 1.443 42.250 40.800 0.012 0.000 1.369 65 D HN 0.036 nan 8.370 nan 0.000 0.425 66 G N 0.153 108.957 108.800 0.007 0.000 2.138 66 G HA2 0.110 4.074 3.960 0.007 0.000 0.263 66 G HA3 0.110 4.074 3.960 0.007 0.000 0.263 66 G C 1.056 175.958 174.900 0.003 0.000 1.103 66 G CA 0.621 45.724 45.100 0.004 0.000 1.014 66 G HN 0.402 nan 8.290 nan 0.000 0.418 67 T N -0.065 114.490 114.554 0.002 0.000 3.160 67 T HA 0.035 4.389 4.350 0.007 0.000 0.257 67 T C 0.953 175.652 174.700 -0.002 0.000 1.147 67 T CA 0.330 62.431 62.100 0.000 0.000 1.064 67 T CB -0.259 68.609 68.868 0.000 0.000 0.949 67 T HN 0.748 nan 8.240 nan 0.000 0.526 68 E N 1.655 121.854 120.200 -0.002 0.000 2.311 68 E HA 0.335 4.689 4.350 0.007 0.000 0.247 68 E C 0.739 177.337 176.600 -0.004 0.000 1.215 68 E CA 0.042 56.441 56.400 -0.003 0.000 0.957 68 E CB -0.931 28.768 29.700 -0.002 0.000 1.020 68 E HN 0.461 nan 8.360 nan 0.000 0.461 69 G N 3.581 112.379 108.800 -0.005 0.000 2.468 69 G HA2 -0.134 3.830 3.960 0.007 0.000 0.143 69 G HA3 -0.134 3.830 3.960 0.007 0.000 0.143 69 G C -0.398 174.497 174.900 -0.007 0.000 1.065 69 G CA -0.646 44.450 45.100 -0.006 0.000 0.776 69 G HN 0.461 nan 8.290 nan 0.000 0.486 70 L N 0.222 121.440 121.223 -0.008 0.000 2.334 70 L HA 0.776 5.120 4.340 0.007 0.000 0.276 70 L C 0.407 177.270 176.870 -0.013 0.000 1.014 70 L CA -1.392 53.442 54.840 -0.010 0.000 0.815 70 L CB 2.131 44.184 42.059 -0.010 0.000 1.268 70 L HN 0.013 nan 8.230 nan 0.000 0.428 71 V N 2.101 122.005 119.914 -0.015 0.000 2.630 71 V HA 0.423 4.547 4.120 0.007 0.000 0.305 71 V C 0.065 176.146 176.094 -0.022 0.000 1.046 71 V CA -0.925 61.364 62.300 -0.017 0.000 0.934 71 V CB 1.757 33.570 31.823 -0.017 0.000 1.003 71 V HN 0.665 nan 8.190 nan 0.000 0.451 72 R N 2.377 122.863 120.500 -0.022 0.000 2.351 72 R HA 0.478 4.823 4.340 0.007 0.000 0.318 72 R C 1.073 177.354 176.300 -0.032 0.000 1.055 72 R CA 0.774 56.858 56.100 -0.027 0.000 0.968 72 R CB 0.316 30.601 30.300 -0.026 0.000 0.974 72 R HN 1.195 nan 8.270 nan 0.000 0.439 73 G N 1.768 110.545 108.800 -0.038 0.000 2.175 73 G HA2 -0.180 3.784 3.960 0.007 0.000 0.182 73 G HA3 -0.180 3.784 3.960 0.007 0.000 0.182 73 G C 0.057 174.929 174.900 -0.046 0.000 1.003 73 G CA -0.641 44.433 45.100 -0.042 0.000 0.666 73 G HN 0.485 nan 8.290 nan 0.000 0.506 74 E N 0.457 120.630 120.200 -0.045 0.000 2.409 74 E HA 0.208 4.562 4.350 0.007 0.000 0.257 74 E C 0.468 177.029 176.600 -0.064 0.000 1.150 74 E CA -0.122 56.251 56.400 -0.045 0.000 0.942 74 E CB 0.691 30.369 29.700 -0.036 0.000 0.979 74 E HN 0.390 nan 8.360 nan 0.000 0.447 75 K N 1.075 121.442 120.400 -0.055 0.000 2.312 75 K HA 0.205 4.530 4.320 0.007 0.000 0.287 75 K C -1.076 175.482 176.600 -0.070 0.000 1.062 75 K CA -0.255 55.993 56.287 -0.066 0.000 0.934 75 K CB 0.488 32.963 32.500 -0.041 0.000 1.027 75 K HN 0.100 nan 8.250 nan 0.000 0.478 76 V N 6.737 126.583 119.914 -0.114 0.000 2.305 76 V HA 0.164 4.288 4.120 0.007 0.000 0.275 76 V C -0.397 175.673 176.094 -0.041 0.000 1.020 76 V CA -0.957 61.288 62.300 -0.092 0.000 0.811 76 V CB 0.780 32.513 31.823 -0.151 0.000 1.031 76 V HN 0.697 nan 8.190 nan 0.000 0.439 77 L N 3.675 124.905 121.223 0.013 0.000 2.416 77 L HA 0.377 4.721 4.340 0.007 0.000 0.272 77 L C 0.276 177.212 176.870 0.110 0.000 1.161 77 L CA 0.559 55.433 54.840 0.057 0.000 0.845 77 L CB 0.835 42.916 42.059 0.036 0.000 1.119 77 L HN 0.659 nan 8.230 nan 0.000 0.464 78 D N 2.162 122.656 120.400 0.157 0.000 2.264 78 D HA 0.153 4.797 4.640 0.007 0.000 0.250 78 D C 0.710 177.054 176.300 0.073 0.000 1.113 78 D CA 0.008 54.096 54.000 0.148 0.000 0.871 78 D CB 1.453 42.341 40.800 0.146 0.000 1.167 78 D HN 0.692 nan 8.370 nan 0.000 0.447 79 T N 2.165 116.752 114.554 0.055 0.000 2.942 79 T HA 0.175 4.529 4.350 0.007 0.000 0.265 79 T C 1.481 176.193 174.700 0.021 0.000 1.062 79 T CA 0.653 62.774 62.100 0.035 0.000 1.139 79 T CB -0.280 68.608 68.868 0.033 0.000 0.883 79 T HN 0.725 nan 8.240 nan 0.000 0.468 80 G N 0.938 109.745 108.800 0.011 0.000 2.184 80 G HA2 -0.021 3.943 3.960 0.007 0.000 0.264 80 G HA3 -0.021 3.943 3.960 0.007 0.000 0.264 80 G C 0.301 175.200 174.900 -0.001 0.000 0.975 80 G CA 0.036 45.133 45.100 -0.005 0.000 0.642 80 G HN 0.992 nan 8.290 nan 0.000 0.536 81 G N -1.116 107.690 108.800 0.009 0.000 2.698 81 G HA2 0.730 4.694 3.960 0.007 0.000 0.293 81 G HA3 0.730 4.694 3.960 0.007 0.000 0.293 81 G C -3.086 171.830 174.900 0.027 0.000 1.437 81 G CA -0.453 44.656 45.100 0.014 0.000 0.852 81 G HN 0.164 nan 8.290 nan 0.000 0.499 82 P HA 0.260 nan 4.420 nan 0.000 0.272 82 P C -0.027 177.311 177.300 0.064 0.000 1.254 82 P CA -0.490 62.650 63.100 0.066 0.000 0.795 82 P CB 0.528 32.287 31.700 0.097 0.000 1.022 83 I N 0.217 120.836 120.570 0.081 0.000 2.664 83 I HA -0.031 4.144 4.170 0.007 0.000 0.284 83 I C 0.473 176.609 176.117 0.033 0.000 1.154 83 I CA 1.289 62.620 61.300 0.052 0.000 1.402 83 I CB -0.947 37.083 38.000 0.051 0.000 1.395 83 I HN 0.103 nan 8.210 nan 0.000 0.545 84 S N 5.934 121.645 115.700 0.019 0.000 2.480 84 S HA 0.690 5.164 4.470 0.007 0.000 0.286 84 S C -0.154 174.441 174.600 -0.007 0.000 1.180 84 S CA -0.837 57.366 58.200 0.006 0.000 1.075 84 S CB 1.462 64.664 63.200 0.004 0.000 0.996 84 S HN 0.478 nan 8.310 nan 0.000 0.487 85 V N 0.477 120.379 119.914 -0.019 0.000 2.715 85 V HA 0.684 4.809 4.120 0.007 0.000 0.310 85 V C -3.105 172.958 176.094 -0.053 0.000 1.054 85 V CA -3.336 58.947 62.300 -0.028 0.000 0.928 85 V CB 1.159 32.966 31.823 -0.027 0.000 1.007 85 V HN 0.484 nan 8.190 nan 0.000 0.437 86 P HA 0.266 nan 4.420 nan 0.000 0.266 86 P C -0.278 176.933 177.300 -0.148 0.000 1.215 86 P CA 0.267 63.311 63.100 -0.094 0.000 0.763 86 P CB 0.713 32.374 31.700 -0.066 0.000 0.806 87 V N 1.105 120.864 119.914 -0.258 0.000 3.019 87 V HA 1.018 5.142 4.120 0.007 0.000 0.317 87 V C 0.374 176.039 176.094 -0.715 0.000 1.094 87 V CA -0.068 61.962 62.300 -0.451 0.000 1.000 87 V CB 1.259 32.782 31.823 -0.500 0.000 1.060 87 V HN 0.890 nan 8.190 nan 0.000 0.443 88 G N 2.628 110.842 108.800 -0.976 0.000 2.352 88 G HA2 -0.067 3.898 3.960 0.007 0.000 0.324 88 G HA3 -0.067 3.898 3.960 0.007 0.000 0.324 88 G C -0.099 174.479 174.900 -0.536 0.000 1.249 88 G CA -0.057 44.513 45.100 -0.884 0.000 1.053 88 G HN 0.883 nan 8.290 nan 0.000 0.492 89 R N 0.110 120.447 120.500 -0.271 0.000 2.254 89 R HA 0.193 4.538 4.340 0.007 0.000 0.195 89 R C 1.717 178.026 176.300 0.015 0.000 0.957 89 R CA 0.567 56.651 56.100 -0.026 0.000 1.024 89 R CB 0.156 30.473 30.300 0.028 0.000 0.952 89 R HN 0.428 nan 8.270 nan 0.000 0.484 90 E N 0.759 120.934 120.200 -0.042 0.000 2.409 90 E HA -0.091 4.264 4.350 0.007 0.000 0.198 90 E C 1.256 177.860 176.600 0.006 0.000 1.024 90 E CA 1.351 57.742 56.400 -0.014 0.000 0.861 90 E CB 0.134 29.810 29.700 -0.039 0.000 0.788 90 E HN 0.371 nan 8.360 nan 0.000 0.521 91 T N -1.824 112.735 114.554 0.008 0.000 3.144 91 T HA 0.199 4.553 4.350 0.007 0.000 0.249 91 T C 0.940 175.691 174.700 0.086 0.000 1.089 91 T CA -0.196 61.927 62.100 0.038 0.000 0.989 91 T CB -0.136 68.744 68.868 0.021 0.000 0.992 91 T HN -0.092 nan 8.240 nan 0.000 0.540 92 L N 1.731 123.011 121.223 0.095 0.000 2.367 92 L HA 0.519 4.863 4.340 0.007 0.000 0.275 92 L C 1.429 178.361 176.870 0.102 0.000 1.129 92 L CA 0.454 55.358 54.840 0.107 0.000 0.839 92 L CB 0.450 42.581 42.059 0.120 0.000 1.133 92 L HN 0.500 nan 8.230 nan 0.000 0.453 93 G N 2.109 110.976 108.800 0.112 0.000 2.176 93 G HA2 -0.215 3.749 3.960 0.007 0.000 0.252 93 G HA3 -0.215 3.749 3.960 0.007 0.000 0.252 93 G C 0.019 175.002 174.900 0.139 0.000 1.024 93 G CA -0.340 44.825 45.100 0.109 0.000 0.755 93 G HN 0.448 nan 8.290 nan 0.000 0.507 94 R N -0.441 120.145 120.500 0.145 0.000 2.686 94 R HA 0.530 4.874 4.340 0.007 0.000 0.286 94 R C 0.022 176.412 176.300 0.150 0.000 0.969 94 R CA -1.159 55.020 56.100 0.132 0.000 0.898 94 R CB 1.293 31.645 30.300 0.087 0.000 1.183 94 R HN 0.129 nan 8.270 nan 0.000 0.456 95 I N 4.903 125.539 120.570 0.110 0.000 2.322 95 I HA 0.306 4.480 4.170 0.007 0.000 0.292 95 I C 0.501 176.669 176.117 0.085 0.000 1.060 95 I CA -0.230 61.125 61.300 0.092 0.000 1.309 95 I CB 0.169 38.133 38.000 -0.060 0.000 1.415 95 I HN 0.404 nan 8.210 nan 0.000 0.492 96 I N 6.777 127.424 120.570 0.129 0.000 2.441 96 I HA 0.300 4.474 4.170 0.007 0.000 0.295 96 I C 0.663 176.842 176.117 0.103 0.000 0.994 96 I CA -0.639 60.716 61.300 0.091 0.000 1.144 96 I CB 1.570 39.614 38.000 0.075 0.000 1.314 96 I HN 0.614 nan 8.210 nan 0.000 0.445 97 N N 4.256 122.997 118.700 0.068 0.000 2.547 97 N HA 0.202 4.946 4.740 0.007 0.000 0.301 97 N C 0.908 176.446 175.510 0.046 0.000 1.328 97 N CA -0.833 52.258 53.050 0.068 0.000 0.932 97 N CB 0.800 39.315 38.487 0.047 0.000 1.104 97 N HN 0.354 nan 8.380 nan 0.000 0.548 98 V N -0.167 119.770 119.914 0.038 0.000 2.358 98 V HA -0.093 4.031 4.120 0.007 0.000 0.246 98 V C 1.713 177.815 176.094 0.014 0.000 1.047 98 V CA 1.502 63.816 62.300 0.023 0.000 1.035 98 V CB -0.874 30.966 31.823 0.027 0.000 0.658 98 V HN 0.666 nan 8.190 nan 0.000 0.452 99 I N -2.854 117.726 120.570 0.017 0.000 3.914 99 I HA 0.599 4.773 4.170 0.007 0.000 0.333 99 I C 1.257 177.380 176.117 0.009 0.000 1.449 99 I CA 0.597 61.905 61.300 0.013 0.000 1.135 99 I CB 0.067 38.077 38.000 0.017 0.000 1.073 99 I HN 0.335 nan 8.210 nan 0.000 0.401 100 G N 0.787 109.593 108.800 0.010 0.000 2.284 100 G HA2 -0.228 3.736 3.960 0.007 0.000 0.230 100 G HA3 -0.228 3.736 3.960 0.007 0.000 0.230 100 G C 0.149 175.055 174.900 0.010 0.000 1.021 100 G CA -0.139 44.965 45.100 0.006 0.000 0.619 100 G HN 0.476 nan 8.290 nan 0.000 0.510 101 E N 2.267 122.474 120.200 0.011 0.000 2.534 101 E HA 0.201 4.556 4.350 0.007 0.000 0.264 101 E C -2.198 174.410 176.600 0.014 0.000 0.981 101 E CA -0.583 55.823 56.400 0.010 0.000 0.948 101 E CB 0.416 30.121 29.700 0.009 0.000 0.934 101 E HN 0.285 nan 8.360 nan 0.000 0.459 102 P HA 0.125 nan 4.420 nan 0.000 0.274 102 P C 0.283 177.581 177.300 -0.002 0.000 1.231 102 P CA -0.112 62.993 63.100 0.010 0.000 0.790 102 P CB 0.618 32.322 31.700 0.007 0.000 0.951 103 I N 1.162 121.723 120.570 -0.015 0.000 4.338 103 I HA 0.058 4.232 4.170 0.007 0.000 0.329 103 I C 0.765 176.829 176.117 -0.088 0.000 1.378 103 I CA 0.376 61.649 61.300 -0.045 0.000 1.170 103 I CB -0.271 37.702 38.000 -0.046 0.000 1.206 103 I HN 0.305 nan 8.210 nan 0.000 0.432 104 D N 1.042 121.397 120.400 -0.074 0.000 2.339 104 D HA -0.054 4.591 4.640 0.007 0.000 0.217 104 D C 0.531 176.806 176.300 -0.042 0.000 1.050 104 D CA 0.146 54.091 54.000 -0.092 0.000 0.856 104 D CB -0.089 40.683 40.800 -0.047 0.000 0.922 104 D HN 0.328 nan 8.370 nan 0.000 0.518 105 E N -0.570 119.612 120.200 -0.030 0.000 3.170 105 E HA -0.255 4.100 4.350 0.007 0.000 0.284 105 E C -0.104 176.494 176.600 -0.002 0.000 0.967 105 E CA 0.365 56.755 56.400 -0.017 0.000 0.919 105 E CB -1.327 28.359 29.700 -0.023 0.000 1.469 105 E HN 0.388 nan 8.360 nan 0.000 0.444 106 R N 0.713 121.217 120.500 0.007 0.000 4.306 106 R HA 0.320 4.664 4.340 0.007 0.000 0.266 106 R C 0.634 176.943 176.300 0.014 0.000 1.624 106 R CA 0.403 56.513 56.100 0.017 0.000 1.487 106 R CB 0.599 30.919 30.300 0.033 0.000 1.441 106 R HN 0.286 nan 8.270 nan 0.000 0.750 107 G N 2.162 110.967 108.800 0.008 0.000 2.856 107 G HA2 -0.235 3.730 3.960 0.007 0.000 0.674 107 G HA3 -0.235 3.730 3.960 0.007 0.000 0.674 107 G C -2.461 172.442 174.900 0.006 0.000 1.519 107 G CA -1.265 43.839 45.100 0.006 0.000 0.940 107 G HN 0.186 nan 8.290 nan 0.000 0.564 108 P HA 0.344 nan 4.420 nan 0.000 0.271 108 P C 0.441 177.741 177.300 0.001 0.000 1.233 108 P CA -0.350 62.751 63.100 0.001 0.000 0.789 108 P CB 0.391 32.090 31.700 -0.001 0.000 0.951 109 I N 1.568 122.137 120.570 -0.002 0.000 2.363 109 I HA 0.108 4.282 4.170 0.007 0.000 0.292 109 I C 1.165 177.273 176.117 -0.016 0.000 1.075 109 I CA -0.122 61.175 61.300 -0.006 0.000 1.333 109 I CB 0.120 38.114 38.000 -0.009 0.000 1.415 109 I HN 0.204 nan 8.210 nan 0.000 0.502 110 K N 6.673 127.064 120.400 -0.014 0.000 2.307 110 K HA 0.153 4.477 4.320 0.007 0.000 0.240 110 K C 0.230 176.810 176.600 -0.034 0.000 1.214 110 K CA -0.250 56.025 56.287 -0.020 0.000 1.149 110 K CB 0.227 32.720 32.500 -0.011 0.000 1.668 110 K HN 0.758 nan 8.250 nan 0.000 0.314 111 S N 1.125 116.794 115.700 -0.052 0.000 2.669 111 S HA 0.234 4.709 4.470 0.007 0.000 0.270 111 S C 0.868 175.417 174.600 -0.085 0.000 1.225 111 S CA -0.652 57.496 58.200 -0.086 0.000 0.991 111 S CB 1.738 64.867 63.200 -0.119 0.000 0.987 111 S HN 0.456 nan 8.310 nan 0.000 0.552 112 K N -0.277 120.054 120.400 -0.115 0.000 2.067 112 K HA 0.276 4.600 4.320 0.007 0.000 0.203 112 K C 0.215 176.763 176.600 -0.088 0.000 1.048 112 K CA 0.780 57.015 56.287 -0.087 0.000 0.954 112 K CB -0.251 32.200 32.500 -0.082 0.000 0.737 112 K HN 0.495 nan 8.250 nan 0.000 0.444 113 L N -0.253 120.885 121.223 -0.142 0.000 2.257 113 L HA 0.465 4.809 4.340 0.007 0.000 0.257 113 L C -0.495 176.297 176.870 -0.130 0.000 1.033 113 L CA -1.112 53.662 54.840 -0.110 0.000 0.835 113 L CB 2.045 44.057 42.059 -0.078 0.000 1.398 113 L HN -0.088 nan 8.230 nan 0.000 0.429 114 R N 1.221 121.674 120.500 -0.078 0.000 2.510 114 R HA 0.409 4.754 4.340 0.007 0.000 0.294 114 R C -1.485 174.796 176.300 -0.032 0.000 1.056 114 R CA -0.739 55.321 56.100 -0.066 0.000 0.918 114 R CB 2.338 32.611 30.300 -0.045 0.000 1.187 114 R HN 0.517 nan 8.270 nan 0.000 0.437 115 K N 3.376 123.759 120.400 -0.028 0.000 2.156 115 K HA 0.474 4.798 4.320 0.007 0.000 0.250 115 K C -2.324 174.278 176.600 0.003 0.000 0.955 115 K CA -2.007 54.283 56.287 0.004 0.000 0.855 115 K CB 1.864 34.384 32.500 0.033 0.000 1.101 115 K HN 0.253 nan 8.250 nan 0.000 0.434 116 P HA -0.025 nan 4.420 nan 0.000 0.269 116 P C 0.675 177.979 177.300 0.007 0.000 1.215 116 P CA -0.127 62.991 63.100 0.030 0.000 0.780 116 P CB 0.417 32.153 31.700 0.060 0.000 0.898 117 I N -1.323 119.232 120.570 -0.026 0.000 3.428 117 I HA 0.054 4.228 4.170 0.007 0.000 0.286 117 I C 0.194 176.179 176.117 -0.220 0.000 1.287 117 I CA 0.890 62.114 61.300 -0.128 0.000 1.396 117 I CB -1.303 36.588 38.000 -0.182 0.000 1.062 117 I HN 0.238 nan 8.210 nan 0.000 0.471 118 H N 2.812 121.881 119.070 -0.003 0.000 2.597 118 H HA 0.752 5.313 4.556 0.007 0.000 0.303 118 H C -0.546 174.780 175.328 -0.003 0.000 1.057 118 H CA -0.204 55.843 56.048 -0.002 0.000 1.261 118 H CB 1.576 31.343 29.762 0.008 0.000 1.397 118 H HN 0.381 nan 8.280 nan 0.000 0.461 119 A N 3.806 126.678 122.820 0.087 0.000 2.449 119 A HA 0.276 4.600 4.320 0.007 0.000 0.302 119 A C -0.639 176.970 177.584 0.042 0.000 1.048 119 A CA -0.962 51.106 52.037 0.051 0.000 0.708 119 A CB 1.377 20.389 19.000 0.021 0.000 1.274 119 A HN 0.547 nan 8.150 nan 0.000 0.410 120 D N 3.817 124.238 120.400 0.035 0.000 2.383 120 D HA 0.318 4.962 4.640 0.007 0.000 0.252 120 D C -1.894 174.418 176.300 0.020 0.000 1.166 120 D CA -0.224 53.793 54.000 0.029 0.000 0.879 120 D CB 0.835 41.650 40.800 0.025 0.000 1.164 120 D HN 0.345 nan 8.370 nan 0.000 0.462 121 P HA 0.113 nan 4.420 nan 0.000 0.267 121 P C -2.488 174.824 177.300 0.019 0.000 1.200 121 P CA -0.907 62.202 63.100 0.016 0.000 0.772 121 P CB -0.425 31.290 31.700 0.025 0.000 0.855 122 P HA -0.022 nan 4.420 nan 0.000 0.265 122 P C 0.591 177.908 177.300 0.028 0.000 1.187 122 P CA 0.275 63.380 63.100 0.009 0.000 0.766 122 P CB 0.155 31.852 31.700 -0.005 0.000 0.820 123 S N 2.153 117.873 115.700 0.033 0.000 2.633 123 S HA 0.127 4.601 4.470 0.007 0.000 0.257 123 S C 0.918 175.575 174.600 0.096 0.000 1.265 123 S CA -0.321 57.923 58.200 0.072 0.000 0.980 123 S CB -0.111 63.131 63.200 0.069 0.000 1.017 123 S HN 0.398 nan 8.310 nan 0.000 0.577 124 F N 0.850 120.800 119.950 0.000 0.000 2.325 124 F HA 0.187 4.718 4.527 0.007 0.000 0.299 124 F C 2.310 178.109 175.800 -0.002 0.000 1.090 124 F CA 1.008 59.007 58.000 -0.001 0.000 1.392 124 F CB -0.837 38.162 39.000 -0.001 0.000 1.053 124 F HN 0.677 nan 8.300 nan 0.000 0.521 125 A N 0.178 123.013 122.820 0.025 0.000 1.929 125 A HA -0.125 4.200 4.320 0.007 0.000 0.216 125 A C 1.952 179.467 177.584 -0.114 0.000 1.176 125 A CA 1.492 53.496 52.037 -0.054 0.000 0.628 125 A CB -0.682 18.339 19.000 0.034 0.000 0.816 125 A HN 0.535 nan 8.150 nan 0.000 0.444 126 E N 0.349 120.502 120.200 -0.079 0.000 2.511 126 E HA -0.015 4.339 4.350 0.007 0.000 0.196 126 E C -0.040 176.499 176.600 -0.102 0.000 1.066 126 E CA -0.158 56.199 56.400 -0.072 0.000 0.871 126 E CB 0.058 29.735 29.700 -0.038 0.000 0.863 126 E HN 0.529 nan 8.360 nan 0.000 0.520 127 Q N 0.809 120.506 119.800 -0.173 0.000 2.392 127 Q HA 0.150 4.494 4.340 0.007 0.000 0.262 127 Q C -0.263 175.644 176.000 -0.156 0.000 1.003 127 Q CA 0.298 55.993 55.803 -0.180 0.000 0.888 127 Q CB 1.644 30.207 28.738 -0.292 0.000 1.260 127 Q HN -0.041 nan 8.270 nan 0.000 0.435 128 S N 0.996 116.632 115.700 -0.108 0.000 2.779 128 S HA 0.409 4.883 4.470 0.007 0.000 0.293 128 S C -0.943 173.617 174.600 -0.065 0.000 1.150 128 S CA -0.631 57.520 58.200 -0.082 0.000 1.057 128 S CB 0.617 63.783 63.200 -0.057 0.000 1.021 128 S HN 0.565 nan 8.310 nan 0.000 0.485 129 T N 1.736 116.251 114.554 -0.065 0.000 2.771 129 T HA 0.779 5.134 4.350 0.007 0.000 0.281 129 T C -0.415 174.265 174.700 -0.032 0.000 0.982 129 T CA -0.669 61.404 62.100 -0.045 0.000 0.978 129 T CB 1.106 69.947 68.868 -0.045 0.000 0.930 129 T HN 0.781 nan 8.240 nan 0.000 0.447 130 S N 1.218 116.904 115.700 -0.023 0.000 2.566 130 S HA 0.697 5.171 4.470 0.007 0.000 0.273 130 S C -0.600 173.993 174.600 -0.011 0.000 1.157 130 S CA -1.118 57.072 58.200 -0.017 0.000 0.938 130 S CB 1.389 64.580 63.200 -0.016 0.000 1.087 130 S HN 1.289 nan 8.310 nan 0.000 0.474 131 A N 2.188 125.001 122.820 -0.010 0.000 2.582 131 A HA 0.686 5.011 4.320 0.007 0.000 0.336 131 A C -0.031 177.550 177.584 -0.006 0.000 1.445 131 A CA -0.424 51.609 52.037 -0.008 0.000 0.997 131 A CB -0.135 18.857 19.000 -0.013 0.000 1.148 131 A HN 0.857 nan 8.150 nan 0.000 0.514 132 E N 2.519 122.720 120.200 0.001 0.000 2.238 132 E HA 0.598 4.952 4.350 0.007 0.000 0.267 132 E C -0.951 175.658 176.600 0.015 0.000 0.887 132 E CA -0.736 55.667 56.400 0.005 0.000 0.769 132 E CB 1.280 30.983 29.700 0.005 0.000 1.187 132 E HN 0.608 nan 8.360 nan 0.000 0.416 133 I N 3.467 124.044 120.570 0.012 0.000 2.519 133 I HA 0.176 4.351 4.170 0.007 0.000 0.287 133 I C -0.286 175.855 176.117 0.039 0.000 1.047 133 I CA -0.675 60.637 61.300 0.020 0.000 1.381 133 I CB 0.637 38.638 38.000 0.002 0.000 1.417 133 I HN 0.396 nan 8.210 nan 0.000 0.540 134 L N 5.934 127.194 121.223 0.063 0.000 2.294 134 L HA 0.372 4.716 4.340 0.007 0.000 0.283 134 L C -0.016 176.893 176.870 0.064 0.000 1.015 134 L CA -0.154 54.735 54.840 0.082 0.000 0.831 134 L CB 1.066 43.205 42.059 0.134 0.000 1.217 134 L HN 0.546 nan 8.230 nan 0.000 0.420 135 E N 1.959 122.190 120.200 0.050 0.000 2.417 135 E HA 0.058 4.412 4.350 0.007 0.000 0.261 135 E C 0.492 177.114 176.600 0.037 0.000 1.000 135 E CA 0.772 57.193 56.400 0.034 0.000 0.919 135 E CB 0.821 30.542 29.700 0.034 0.000 0.955 135 E HN 0.834 nan 8.360 nan 0.000 0.455 136 T N 0.575 115.130 114.554 0.003 0.000 3.087 136 T HA 0.339 4.694 4.350 0.007 0.000 0.237 136 T C 1.334 176.034 174.700 -0.000 0.000 0.990 136 T CA 0.649 62.749 62.100 0.000 0.000 1.160 136 T CB 0.452 69.268 68.868 -0.087 0.000 0.923 136 T HN 0.664 nan 8.240 nan 0.000 0.442 137 G N 1.354 110.151 108.800 -0.005 0.000 2.352 137 G HA2 -0.081 3.883 3.960 0.007 0.000 0.204 137 G HA3 -0.081 3.883 3.960 0.007 0.000 0.204 137 G C -0.173 174.736 174.900 0.015 0.000 1.004 137 G CA -0.260 44.845 45.100 0.008 0.000 0.648 137 G HN 0.598 nan 8.290 nan 0.000 0.491 138 I N 2.776 123.360 120.570 0.023 0.000 2.396 138 I HA 0.313 4.487 4.170 0.007 0.000 0.289 138 I C 1.556 177.672 176.117 -0.002 0.000 1.056 138 I CA -0.071 61.265 61.300 0.060 0.000 1.365 138 I CB 1.264 39.355 38.000 0.150 0.000 1.407 138 I HN 0.125 nan 8.210 nan 0.000 0.509 139 K N 3.937 124.314 120.400 -0.038 0.000 2.020 139 K HA -0.179 4.145 4.320 0.007 0.000 0.212 139 K C 1.793 178.320 176.600 -0.121 0.000 1.050 139 K CA 1.647 57.884 56.287 -0.084 0.000 0.929 139 K CB -0.339 32.098 32.500 -0.106 0.000 0.714 139 K HN 0.528 nan 8.250 nan 0.000 0.443 140 V N 1.226 121.095 119.914 -0.075 0.000 2.250 140 V HA -0.279 3.845 4.120 0.007 0.000 0.250 140 V C 2.380 178.445 176.094 -0.049 0.000 1.060 140 V CA 1.958 64.219 62.300 -0.065 0.000 1.030 140 V CB -0.753 31.096 31.823 0.043 0.000 0.643 140 V HN 0.102 nan 8.190 nan 0.000 0.445 141 V N 0.132 120.039 119.914 -0.011 0.000 2.307 141 V HA -0.233 3.892 4.120 0.007 0.000 0.245 141 V C 2.334 178.357 176.094 -0.117 0.000 1.045 141 V CA 2.198 64.445 62.300 -0.088 0.000 1.024 141 V CB -0.792 30.903 31.823 -0.214 0.000 0.651 141 V HN 0.519 nan 8.190 nan 0.000 0.449 142 D N -0.326 120.020 120.400 -0.089 0.000 2.182 142 D HA -0.140 4.504 4.640 0.007 0.000 0.201 142 D C 1.824 178.174 176.300 0.084 0.000 0.986 142 D CA 1.202 55.187 54.000 -0.024 0.000 0.847 142 D CB -0.000 40.793 40.800 -0.011 0.000 0.942 142 D HN 0.373 nan 8.370 nan 0.000 0.467 143 L N -0.526 120.700 121.223 0.006 0.000 2.189 143 L HA 0.132 4.476 4.340 0.007 0.000 0.199 143 L C 1.964 178.901 176.870 0.112 0.000 1.074 143 L CA 1.031 55.895 54.840 0.039 0.000 0.783 143 L CB -0.240 41.646 42.059 -0.288 0.000 0.955 143 L HN -0.067 nan 8.230 nan 0.000 0.460 144 L N -0.499 120.722 121.223 -0.003 0.000 2.168 144 L HA 0.263 4.607 4.340 0.007 0.000 0.203 144 L C 0.759 177.658 176.870 0.049 0.000 1.078 144 L CA 0.674 55.523 54.840 0.015 0.000 0.780 144 L CB -0.215 41.833 42.059 -0.017 0.000 0.939 144 L HN 0.269 nan 8.230 nan 0.000 0.451 145 A N -0.109 122.733 122.820 0.037 0.000 3.127 145 A HA 0.507 4.832 4.320 0.007 0.000 0.319 145 A C -2.621 174.976 177.584 0.023 0.000 1.104 145 A CA -0.999 51.077 52.037 0.065 0.000 0.802 145 A CB -0.083 18.987 19.000 0.116 0.000 1.193 145 A HN -0.124 nan 8.150 nan 0.000 0.479 146 P HA 0.227 nan 4.420 nan 0.000 0.268 146 P C -0.496 176.854 177.300 0.083 0.000 1.204 146 P CA 0.343 63.409 63.100 -0.056 0.000 0.768 146 P CB 0.261 31.934 31.700 -0.045 0.000 0.842 147 Y N 1.118 121.446 120.300 0.048 0.000 2.281 147 Y HA 0.460 5.014 4.550 0.008 0.000 0.337 147 Y C 1.074 176.985 175.900 0.018 0.000 1.304 147 Y CA -1.359 56.763 58.100 0.036 0.000 1.465 147 Y CB -0.183 38.304 38.460 0.046 0.000 1.350 147 Y HN 0.325 nan 8.280 nan 0.000 0.575 148 A N 1.936 124.865 122.820 0.182 0.000 2.330 148 A HA 0.598 4.923 4.320 0.007 0.000 0.327 148 A C -0.293 177.327 177.584 0.059 0.000 1.155 148 A CA -1.072 51.017 52.037 0.087 0.000 0.803 148 A CB 0.643 19.673 19.000 0.051 0.000 1.208 148 A HN 0.771 nan 8.150 nan 0.000 0.477 149 R N 1.173 121.702 120.500 0.048 0.000 2.351 149 R HA 0.375 4.720 4.340 0.007 0.000 0.318 149 R C 1.171 177.481 176.300 0.017 0.000 1.055 149 R CA 1.175 57.297 56.100 0.038 0.000 0.968 149 R CB 0.278 30.601 30.300 0.037 0.000 0.974 149 R HN 1.543 nan 8.270 nan 0.000 0.439 150 G N 2.130 110.932 108.800 0.004 0.000 2.199 150 G HA2 -0.251 3.713 3.960 0.007 0.000 0.254 150 G HA3 -0.251 3.713 3.960 0.007 0.000 0.254 150 G C 0.495 175.378 174.900 -0.027 0.000 0.982 150 G CA -0.181 44.912 45.100 -0.011 0.000 0.632 150 G HN 0.837 nan 8.290 nan 0.000 0.529 151 G N -0.217 108.568 108.800 -0.025 0.000 2.537 151 G HA2 0.534 4.498 3.960 0.007 0.000 0.273 151 G HA3 0.534 4.498 3.960 0.007 0.000 0.273 151 G C -0.067 174.792 174.900 -0.068 0.000 1.189 151 G CA -0.507 44.575 45.100 -0.030 0.000 0.881 151 G HN 0.378 nan 8.290 nan 0.000 0.535 152 K N 0.657 121.020 120.400 -0.062 0.000 2.284 152 K HA 0.320 4.644 4.320 0.007 0.000 0.287 152 K C -0.342 176.182 176.600 -0.126 0.000 1.081 152 K CA 0.122 56.353 56.287 -0.094 0.000 0.910 152 K CB 0.988 33.456 32.500 -0.052 0.000 1.088 152 K HN 0.298 nan 8.250 nan 0.000 0.478 153 I N 1.052 121.492 120.570 -0.216 0.000 2.562 153 I HA 0.556 4.731 4.170 0.007 0.000 0.301 153 I C 0.455 176.373 176.117 -0.332 0.000 1.003 153 I CA -0.826 60.279 61.300 -0.324 0.000 1.127 153 I CB 2.164 39.815 38.000 -0.581 0.000 1.304 153 I HN 0.609 nan 8.210 nan 0.000 0.446 154 G N 4.701 113.291 108.800 -0.349 0.000 2.742 154 G HA2 0.636 4.601 3.960 0.007 0.000 0.296 154 G HA3 0.636 4.601 3.960 0.007 0.000 0.296 154 G C -1.592 173.047 174.900 -0.435 0.000 1.436 154 G CA -0.689 44.164 45.100 -0.413 0.000 0.928 154 G HN 0.692 nan 8.290 nan 0.000 0.520 155 L N -0.632 120.310 121.223 -0.468 0.000 2.356 155 L HA 0.902 5.246 4.340 0.007 0.000 0.277 155 L C -1.256 175.326 176.870 -0.481 0.000 0.996 155 L CA -1.073 53.540 54.840 -0.378 0.000 0.822 155 L CB 1.510 43.372 42.059 -0.329 0.000 1.256 155 L HN 0.314 nan 8.230 nan 0.000 0.413 156 F N 1.500 121.349 119.950 -0.169 0.000 2.408 156 F HA 0.952 5.483 4.527 0.007 0.000 0.325 156 F C 1.039 176.778 175.800 -0.100 0.000 1.082 156 F CA -0.039 57.878 58.000 -0.138 0.000 1.032 156 F CB 2.010 40.928 39.000 -0.137 0.000 1.259 156 F HN 0.826 nan 8.300 nan 0.000 0.503 157 G N -0.272 108.586 108.800 0.097 0.000 2.386 157 G HA2 0.441 4.406 3.960 0.007 0.000 0.302 157 G HA3 0.441 4.406 3.960 0.007 0.000 0.302 157 G C -0.665 174.210 174.900 -0.041 0.000 1.629 157 G CA -0.427 44.687 45.100 0.025 0.000 0.917 157 G HN 0.939 nan 8.290 nan 0.000 0.676 158 G N -0.316 108.450 108.800 -0.057 0.000 2.479 158 G HA2 0.668 4.632 3.960 0.007 0.000 0.275 158 G HA3 0.668 4.632 3.960 0.007 0.000 0.275 158 G C 0.689 175.635 174.900 0.077 0.000 1.421 158 G CA 0.512 45.548 45.100 -0.107 0.000 1.059 158 G HN 1.847 nan 8.290 nan 0.000 0.535 159 A N -1.751 121.179 122.820 0.183 0.000 2.289 159 A HA 0.607 4.932 4.320 0.007 0.000 0.298 159 A C 1.058 178.724 177.584 0.136 0.000 1.208 159 A CA 0.659 52.846 52.037 0.249 0.000 0.845 159 A CB 0.075 19.253 19.000 0.296 0.000 1.125 159 A HN 2.495 nan 8.150 nan 0.000 0.517 160 G N 0.960 109.834 108.800 0.124 0.000 2.204 160 G HA2 -0.058 3.906 3.960 0.007 0.000 0.244 160 G HA3 -0.058 3.906 3.960 0.007 0.000 0.244 160 G C 0.417 175.392 174.900 0.125 0.000 1.062 160 G CA 0.689 45.853 45.100 0.107 0.000 0.798 160 G HN 2.127 nan 8.290 nan 0.000 0.496 161 V N -3.551 116.443 119.914 0.133 0.000 3.477 161 V HA 0.703 4.827 4.120 0.007 0.000 0.297 161 V C 1.472 177.684 176.094 0.197 0.000 1.433 161 V CA 0.695 63.075 62.300 0.134 0.000 1.052 161 V CB 0.313 32.185 31.823 0.081 0.000 0.895 161 V HN 2.242 nan 8.190 nan 0.000 0.438 162 G N 1.442 110.373 108.800 0.220 0.000 2.526 162 G HA2 -0.182 3.782 3.960 0.007 0.000 0.225 162 G HA3 -0.182 3.782 3.960 0.007 0.000 0.225 162 G C 0.311 175.359 174.900 0.248 0.000 1.120 162 G CA 0.366 45.636 45.100 0.283 0.000 0.904 162 G HN 0.474 nan 8.290 nan 0.000 0.498 163 K N -0.697 119.810 120.400 0.179 0.000 2.044 163 K HA 0.008 4.332 4.320 0.007 0.000 0.204 163 K C 2.556 179.260 176.600 0.173 0.000 1.045 163 K CA 1.595 57.970 56.287 0.147 0.000 0.951 163 K CB -0.180 32.384 32.500 0.107 0.000 0.738 163 K HN 0.310 nan 8.250 nan 0.000 0.443 164 T N 1.624 116.273 114.554 0.157 0.000 2.788 164 T HA -0.095 4.259 4.350 0.007 0.000 0.268 164 T C 2.134 176.914 174.700 0.133 0.000 1.044 164 T CA 1.077 63.264 62.100 0.145 0.000 1.139 164 T CB -0.241 68.705 68.868 0.130 0.000 0.867 164 T HN -0.079 nan 8.240 nan 0.000 0.454 165 V N 1.018 121.033 119.914 0.168 0.000 2.223 165 V HA -0.133 3.992 4.120 0.007 0.000 0.244 165 V C 1.992 178.093 176.094 0.013 0.000 1.045 165 V CA 1.683 64.067 62.300 0.140 0.000 1.000 165 V CB -0.861 31.119 31.823 0.263 0.000 0.635 165 V HN 0.355 nan 8.190 nan 0.000 0.445 166 F N 0.075 119.974 119.950 -0.085 0.000 2.115 166 F HA -0.257 4.274 4.527 0.006 0.000 0.300 166 F C 2.273 177.971 175.800 -0.170 0.000 1.092 166 F CA 1.704 59.567 58.000 -0.228 0.000 1.245 166 F CB -0.198 38.775 39.000 -0.046 0.000 0.995 166 F HN 0.011 nan 8.300 nan 0.000 0.481 167 I N 0.278 120.964 120.570 0.193 0.000 2.127 167 I HA -0.325 3.850 4.170 0.007 0.000 0.241 167 I C 2.271 178.347 176.117 -0.069 0.000 1.075 167 I CA 1.659 63.030 61.300 0.118 0.000 1.334 167 I CB -1.476 36.610 38.000 0.144 0.000 1.040 167 I HN 0.329 nan 8.210 nan 0.000 0.405 168 Q N -0.271 119.479 119.800 -0.083 0.000 2.364 168 Q HA -0.231 4.113 4.340 0.007 0.000 0.207 168 Q C 1.900 177.779 176.000 -0.202 0.000 0.970 168 Q CA 0.970 56.684 55.803 -0.148 0.000 0.888 168 Q CB 0.003 28.688 28.738 -0.090 0.000 0.951 168 Q HN 0.403 nan 8.270 nan 0.000 0.469 169 E N 0.912 120.940 120.200 -0.287 0.000 2.112 169 E HA -0.055 4.299 4.350 0.007 0.000 0.190 169 E C 1.582 178.013 176.600 -0.282 0.000 0.979 169 E CA 0.610 56.784 56.400 -0.377 0.000 0.814 169 E CB 0.008 29.218 29.700 -0.818 0.000 0.762 169 E HN 0.277 nan 8.360 nan 0.000 0.460 170 L N 0.323 121.405 121.223 -0.236 0.000 2.362 170 L HA -0.042 4.302 4.340 0.007 0.000 0.219 170 L C 2.054 178.911 176.870 -0.021 0.000 1.134 170 L CA 0.549 55.366 54.840 -0.039 0.000 0.807 170 L CB -0.241 41.924 42.059 0.176 0.000 0.927 170 L HN 0.230 nan 8.230 nan 0.000 0.447 171 I N -0.374 120.069 120.570 -0.212 0.000 2.406 171 I HA -0.166 4.008 4.170 0.007 0.000 0.249 171 I C 1.389 177.436 176.117 -0.117 0.000 1.122 171 I CA 0.857 61.996 61.300 -0.268 0.000 1.431 171 I CB -0.172 37.585 38.000 -0.405 0.000 1.087 171 I HN 0.252 nan 8.210 nan 0.000 0.424 172 N N 0.882 119.514 118.700 -0.114 0.000 2.383 172 N HA -0.025 4.719 4.740 0.007 0.000 0.192 172 N C 0.925 176.410 175.510 -0.041 0.000 1.141 172 N CA 0.394 53.400 53.050 -0.075 0.000 0.851 172 N CB -0.015 38.421 38.487 -0.084 0.000 0.976 172 N HN 0.314 nan 8.380 nan 0.000 0.465 173 N N -0.738 117.948 118.700 -0.024 0.000 2.672 173 N HA 0.219 4.964 4.740 0.007 0.000 0.229 173 N C 1.023 176.562 175.510 0.048 0.000 1.043 173 N CA 0.324 53.377 53.050 0.005 0.000 0.932 173 N CB 0.357 38.839 38.487 -0.008 0.000 1.500 173 N HN 0.000 nan 8.380 nan 0.000 0.445 174 I N 0.873 121.497 120.570 0.090 0.000 2.729 174 I HA 0.217 4.391 4.170 0.007 0.000 0.256 174 I C 2.085 178.297 176.117 0.158 0.000 1.115 174 I CA 0.490 61.873 61.300 0.137 0.000 1.446 174 I CB -0.559 37.548 38.000 0.178 0.000 1.176 174 I HN 0.014 nan 8.210 nan 0.000 0.446 175 A N 0.918 123.837 122.820 0.164 0.000 1.940 175 A HA -0.243 4.082 4.320 0.007 0.000 0.219 175 A C 2.267 179.919 177.584 0.113 0.000 1.176 175 A CA 1.833 53.961 52.037 0.151 0.000 0.631 175 A CB -0.540 18.546 19.000 0.143 0.000 0.814 175 A HN 0.347 nan 8.150 nan 0.000 0.446 176 K N -0.412 120.029 120.400 0.068 0.000 1.967 176 K HA 0.028 4.352 4.320 0.007 0.000 0.212 176 K C 1.356 177.989 176.600 0.056 0.000 1.044 176 K CA 1.151 57.463 56.287 0.042 0.000 0.942 176 K CB -0.302 32.206 32.500 0.012 0.000 0.726 176 K HN 0.340 nan 8.250 nan 0.000 0.440 177 A N 1.814 124.667 122.820 0.055 0.000 3.135 177 A HA 0.033 4.357 4.320 0.007 0.000 0.253 177 A C 0.613 178.244 177.584 0.077 0.000 1.638 177 A CA 0.029 52.091 52.037 0.042 0.000 1.295 177 A CB -0.717 18.297 19.000 0.024 0.000 1.106 177 A HN 0.401 nan 8.150 nan 0.000 0.648 178 H N 0.171 119.236 119.070 -0.008 0.000 2.273 178 H HA 0.388 4.948 4.556 0.007 0.000 0.317 178 H C 1.511 176.815 175.328 -0.040 0.000 1.062 178 H CA 2.531 58.573 56.048 -0.010 0.000 1.419 178 H CB 0.233 29.996 29.762 0.002 0.000 1.442 178 H HN 0.609 nan 8.280 nan 0.000 0.542 179 G N -1.088 107.464 108.800 -0.412 0.000 3.145 179 G HA2 -0.080 3.885 3.960 0.007 0.000 0.195 179 G HA3 -0.080 3.885 3.960 0.007 0.000 0.195 179 G C 1.058 175.687 174.900 -0.451 0.000 2.278 179 G CA 0.174 44.998 45.100 -0.460 0.000 1.441 179 G HN 0.851 nan 8.290 nan 0.000 0.452 180 G N 0.286 108.725 108.800 -0.602 0.000 2.580 180 G HA2 0.520 4.485 3.960 0.007 0.000 0.225 180 G HA3 0.520 4.485 3.960 0.007 0.000 0.225 180 G C 0.164 174.938 174.900 -0.209 0.000 1.521 180 G CA -0.075 44.846 45.100 -0.300 0.000 1.068 180 G HN 0.378 nan 8.290 nan 0.000 0.564 181 F N -1.001 118.972 119.950 0.039 0.000 2.362 181 F HA 0.646 5.177 4.527 0.007 0.000 0.340 181 F C 0.743 176.487 175.800 -0.094 0.000 1.088 181 F CA -0.326 57.602 58.000 -0.120 0.000 1.096 181 F CB 1.510 40.183 39.000 -0.546 0.000 1.486 181 F HN 0.200 nan 8.300 nan 0.000 0.500 182 S N -0.273 115.481 115.700 0.090 0.000 2.533 182 S HA 0.654 5.129 4.470 0.007 0.000 0.271 182 S C -1.642 172.998 174.600 0.067 0.000 1.143 182 S CA -0.745 57.478 58.200 0.039 0.000 0.891 182 S CB 2.055 65.310 63.200 0.092 0.000 1.105 182 S HN 0.282 nan 8.310 nan 0.000 0.468 183 V N 3.222 123.186 119.914 0.084 0.000 2.482 183 V HA 0.506 4.631 4.120 0.007 0.000 0.295 183 V C -1.270 174.928 176.094 0.174 0.000 1.026 183 V CA -0.595 61.771 62.300 0.110 0.000 0.856 183 V CB 1.281 33.135 31.823 0.051 0.000 1.001 183 V HN 0.855 nan 8.190 nan 0.000 0.424 184 F N 3.858 123.845 119.950 0.061 0.000 2.415 184 F HA 0.700 5.231 4.527 0.007 0.000 0.348 184 F C 0.394 176.087 175.800 -0.178 0.000 1.119 184 F CA 0.060 58.068 58.000 0.014 0.000 1.069 184 F CB 1.564 40.579 39.000 0.025 0.000 1.124 184 F HN 0.486 nan 8.300 nan 0.000 0.472 185 T N 4.431 118.583 114.554 -0.671 0.000 2.797 185 T HA 0.522 4.877 4.350 0.007 0.000 0.279 185 T C 0.081 174.281 174.700 -0.835 0.000 0.991 185 T CA -0.659 61.086 62.100 -0.592 0.000 0.979 185 T CB 1.429 70.079 68.868 -0.364 0.000 0.943 185 T HN 0.843 nan 8.240 nan 0.000 0.444 186 G N 1.916 110.255 108.800 -0.769 0.000 2.800 186 G HA2 0.500 4.464 3.960 0.007 0.000 0.340 186 G HA3 0.500 4.464 3.960 0.007 0.000 0.340 186 G C -0.401 174.414 174.900 -0.141 0.000 1.089 186 G CA -0.430 44.402 45.100 -0.447 0.000 1.144 186 G HN 0.672 nan 8.290 nan 0.000 0.461 187 V N 2.335 122.180 119.914 -0.115 0.000 2.334 187 V HA 0.527 4.651 4.120 0.007 0.000 0.267 187 V C 1.234 177.349 176.094 0.036 0.000 1.040 187 V CA 0.339 62.624 62.300 -0.026 0.000 0.866 187 V CB 0.569 32.374 31.823 -0.031 0.000 1.019 187 V HN 1.151 nan 8.190 nan 0.000 0.468 188 G N 3.777 112.612 108.800 0.059 0.000 2.372 188 G HA2 -0.178 3.786 3.960 0.007 0.000 0.297 188 G HA3 -0.178 3.786 3.960 0.007 0.000 0.297 188 G C -0.063 174.878 174.900 0.069 0.000 1.005 188 G CA 0.200 45.339 45.100 0.065 0.000 1.173 188 G HN 0.611 nan 8.290 nan 0.000 0.511 189 E N -0.824 119.433 120.200 0.096 0.000 2.431 189 E HA 0.398 4.752 4.350 0.007 0.000 0.268 189 E C 0.680 177.346 176.600 0.109 0.000 0.953 189 E CA -1.124 55.336 56.400 0.100 0.000 0.810 189 E CB 1.023 30.804 29.700 0.136 0.000 1.369 189 E HN 0.427 nan 8.360 nan 0.000 0.440 190 R N 0.258 120.815 120.500 0.094 0.000 2.538 190 R HA 0.087 4.431 4.340 0.007 0.000 0.282 190 R C 0.958 177.313 176.300 0.092 0.000 1.009 190 R CA 0.370 56.514 56.100 0.074 0.000 1.063 190 R CB 0.083 30.416 30.300 0.056 0.000 0.945 190 R HN 0.425 nan 8.270 nan 0.000 0.414 191 T N 2.059 116.646 114.554 0.054 0.000 2.985 191 T HA -0.092 4.262 4.350 0.007 0.000 0.266 191 T C 1.733 176.419 174.700 -0.023 0.000 1.076 191 T CA 0.726 62.837 62.100 0.018 0.000 1.135 191 T CB -0.063 68.801 68.868 -0.006 0.000 0.890 191 T HN 0.527 nan 8.240 nan 0.000 0.480 192 R N 1.474 121.971 120.500 -0.006 0.000 2.081 192 R HA -0.087 4.258 4.340 0.007 0.000 0.235 192 R C 1.798 178.093 176.300 -0.009 0.000 1.131 192 R CA 1.489 57.580 56.100 -0.014 0.000 0.960 192 R CB -0.079 30.219 30.300 -0.003 0.000 0.856 192 R HN 0.449 nan 8.270 nan 0.000 0.436 193 E N -1.265 118.947 120.200 0.020 0.000 2.481 193 E HA -0.017 4.337 4.350 0.007 0.000 0.195 193 E C 1.450 178.067 176.600 0.028 0.000 1.047 193 E CA 0.482 56.902 56.400 0.033 0.000 0.867 193 E CB 0.355 30.095 29.700 0.067 0.000 0.858 193 E HN 0.547 nan 8.360 nan 0.000 0.513 194 G N 1.039 109.842 108.800 0.005 0.000 2.603 194 G HA2 -0.171 3.794 3.960 0.007 0.000 0.214 194 G HA3 -0.171 3.794 3.960 0.007 0.000 0.214 194 G C 1.324 176.065 174.900 -0.265 0.000 1.140 194 G CA 0.069 45.097 45.100 -0.121 0.000 0.800 194 G HN 0.170 nan 8.290 nan 0.000 0.533 195 N N 0.608 119.214 118.700 -0.157 0.000 2.305 195 N HA -0.081 4.664 4.740 0.007 0.000 0.179 195 N C 1.132 176.631 175.510 -0.020 0.000 1.019 195 N CA 0.814 53.799 53.050 -0.108 0.000 0.869 195 N CB 0.107 38.537 38.487 -0.095 0.000 1.000 195 N HN -0.009 nan 8.380 nan 0.000 0.431 196 D N 1.125 121.510 120.400 -0.025 0.000 2.219 196 D HA -0.110 4.534 4.640 0.007 0.000 0.205 196 D C 1.864 178.146 176.300 -0.029 0.000 0.970 196 D CA 0.338 54.330 54.000 -0.013 0.000 0.851 196 D CB -0.063 40.735 40.800 -0.003 0.000 0.943 196 D HN 0.268 nan 8.370 nan 0.000 0.488 197 L N -0.444 120.748 121.223 -0.052 0.000 2.095 197 L HA -0.086 4.258 4.340 0.007 0.000 0.204 197 L C 2.129 178.955 176.870 -0.073 0.000 1.080 197 L CA 1.258 56.035 54.840 -0.104 0.000 0.759 197 L CB -0.671 41.270 42.059 -0.196 0.000 0.914 197 L HN -0.041 nan 8.230 nan 0.000 0.439 198 Y N 1.451 121.652 120.300 -0.165 0.000 2.114 198 Y HA -0.305 4.249 4.550 0.007 0.000 0.282 198 Y C 2.704 178.547 175.900 -0.094 0.000 1.165 198 Y CA 2.556 60.575 58.100 -0.135 0.000 1.148 198 Y CB -0.244 38.120 38.460 -0.160 0.000 0.972 198 Y HN 0.329 nan 8.280 nan 0.000 0.504 199 R N -0.395 120.083 120.500 -0.035 0.000 2.193 199 R HA -0.090 4.254 4.340 0.007 0.000 0.213 199 R C 1.810 178.043 176.300 -0.111 0.000 1.055 199 R CA 1.447 57.489 56.100 -0.096 0.000 0.995 199 R CB -0.485 29.811 30.300 -0.008 0.000 0.893 199 R HN 0.296 nan 8.270 nan 0.000 0.459 200 E N 1.029 121.171 120.200 -0.096 0.000 2.216 200 E HA -0.007 4.348 4.350 0.007 0.000 0.192 200 E C 1.761 178.291 176.600 -0.117 0.000 0.988 200 E CA 1.005 57.350 56.400 -0.093 0.000 0.834 200 E CB 0.115 29.764 29.700 -0.084 0.000 0.772 200 E HN 0.227 nan 8.360 nan 0.000 0.479 201 M N -0.357 119.151 119.600 -0.154 0.000 2.514 201 M HA 0.082 4.567 4.480 0.007 0.000 0.258 201 M C 1.828 178.021 176.300 -0.177 0.000 1.119 201 M CA 0.774 55.981 55.300 -0.155 0.000 1.111 201 M CB -0.020 32.485 32.600 -0.159 0.000 1.390 201 M HN 0.019 nan 8.290 nan 0.000 0.475 202 K N 0.597 120.856 120.400 -0.235 0.000 2.356 202 K HA -0.007 4.318 4.320 0.007 0.000 0.195 202 K C 1.067 177.581 176.600 -0.144 0.000 1.037 202 K CA 0.604 56.745 56.287 -0.242 0.000 1.014 202 K CB 0.509 32.783 32.500 -0.377 0.000 0.815 202 K HN 0.308 nan 8.250 nan 0.000 0.507 203 E N -0.808 119.324 120.200 -0.114 0.000 2.498 203 E HA -0.012 4.342 4.350 0.007 0.000 0.203 203 E C 1.100 177.662 176.600 -0.063 0.000 1.013 203 E CA 0.467 56.821 56.400 -0.077 0.000 0.927 203 E CB 0.948 30.610 29.700 -0.064 0.000 1.012 203 E HN 0.328 nan 8.360 nan 0.000 0.482 204 T N -2.632 111.880 114.554 -0.070 0.000 2.939 204 T HA 0.166 4.520 4.350 0.007 0.000 0.254 204 T C 1.628 176.300 174.700 -0.046 0.000 1.041 204 T CA 0.771 62.838 62.100 -0.055 0.000 1.142 204 T CB 0.407 69.240 68.868 -0.059 0.000 0.874 204 T HN 0.193 nan 8.240 nan 0.000 0.452 205 G N 0.010 108.779 108.800 -0.051 0.000 2.200 205 G HA2 -0.112 3.852 3.960 0.007 0.000 0.145 205 G HA3 -0.112 3.852 3.960 0.007 0.000 0.145 205 G C 0.667 175.548 174.900 -0.032 0.000 1.021 205 G CA 0.039 45.116 45.100 -0.039 0.000 0.720 205 G HN 0.468 nan 8.290 nan 0.000 0.494 206 V N 0.552 120.443 119.914 -0.039 0.000 2.685 206 V HA 0.354 4.478 4.120 0.007 0.000 0.244 206 V C 1.308 177.390 176.094 -0.021 0.000 1.054 206 V CA 0.597 62.884 62.300 -0.022 0.000 1.076 206 V CB 0.040 31.850 31.823 -0.022 0.000 0.725 206 V HN 0.336 nan 8.190 nan 0.000 0.467 207 I N 2.066 122.600 120.570 -0.060 0.000 2.359 207 I HA 0.394 4.568 4.170 0.007 0.000 0.294 207 I C -0.634 175.442 176.117 -0.069 0.000 0.987 207 I CA 0.020 61.276 61.300 -0.073 0.000 1.225 207 I CB 1.256 39.154 38.000 -0.169 0.000 1.366 207 I HN 0.202 nan 8.210 nan 0.000 0.466 208 N N 5.929 124.609 118.700 -0.032 0.000 2.518 208 N HA 0.275 5.019 4.740 0.007 0.000 0.254 208 N C 0.642 176.144 175.510 -0.013 0.000 0.979 208 N CA -0.608 52.428 53.050 -0.023 0.000 0.930 208 N CB 1.164 39.650 38.487 -0.001 0.000 1.152 208 N HN 0.380 nan 8.380 nan 0.000 0.505 209 L N 1.964 123.172 121.223 -0.025 0.000 1.990 209 L HA 0.050 4.395 4.340 0.007 0.000 0.213 209 L C 0.278 177.154 176.870 0.011 0.000 1.072 209 L CA 1.630 56.468 54.840 -0.004 0.000 0.755 209 L CB -0.715 41.339 42.059 -0.008 0.000 0.889 209 L HN 0.492 nan 8.230 nan 0.000 0.432 210 E N 0.190 120.394 120.200 0.006 0.000 2.546 210 E HA 0.558 4.913 4.350 0.007 0.000 0.227 210 E C 0.197 176.805 176.600 0.012 0.000 1.009 210 E CA 0.175 56.582 56.400 0.011 0.000 0.813 210 E CB 0.557 30.262 29.700 0.008 0.000 1.269 210 E HN 0.503 nan 8.360 nan 0.000 0.432 211 G N 1.921 110.733 108.800 0.019 0.000 2.470 211 G HA2 -0.065 3.900 3.960 0.007 0.000 0.145 211 G HA3 -0.065 3.900 3.960 0.007 0.000 0.145 211 G C -1.331 173.590 174.900 0.035 0.000 1.223 211 G CA -0.806 44.308 45.100 0.023 0.000 1.058 211 G HN 0.173 nan 8.290 nan 0.000 0.469 212 E N 0.965 121.188 120.200 0.038 0.000 2.158 212 E HA 0.621 4.976 4.350 0.007 0.000 0.271 212 E C -0.270 176.363 176.600 0.056 0.000 0.911 212 E CA -0.281 56.154 56.400 0.058 0.000 0.767 212 E CB 1.663 31.402 29.700 0.066 0.000 1.120 212 E HN 0.737 nan 8.360 nan 0.000 0.405 213 S N 1.769 117.514 115.700 0.075 0.000 2.648 213 S HA 0.548 5.023 4.470 0.007 0.000 0.305 213 S C 0.162 174.835 174.600 0.123 0.000 1.094 213 S CA -0.991 57.251 58.200 0.070 0.000 0.983 213 S CB 1.990 65.220 63.200 0.050 0.000 1.101 213 S HN 0.334 nan 8.310 nan 0.000 0.514 214 K N 0.522 120.986 120.400 0.106 0.000 2.861 214 K HA 0.527 4.852 4.320 0.007 0.000 0.210 214 K C -1.151 175.544 176.600 0.158 0.000 1.112 214 K CA -0.150 56.231 56.287 0.156 0.000 1.076 214 K CB 1.101 33.630 32.500 0.049 0.000 0.853 214 K HN 0.428 nan 8.250 nan 0.000 0.463 215 V N -0.072 119.924 119.914 0.137 0.000 2.809 215 V HA 0.525 4.649 4.120 0.007 0.000 0.290 215 V C -1.771 174.396 176.094 0.121 0.000 1.305 215 V CA -0.638 61.733 62.300 0.118 0.000 0.939 215 V CB 1.539 33.426 31.823 0.106 0.000 1.081 215 V HN 0.280 nan 8.190 nan 0.000 0.439 216 A N 7.056 129.946 122.820 0.117 0.000 2.304 216 A HA 0.940 5.264 4.320 0.007 0.000 0.301 216 A C -0.911 176.787 177.584 0.190 0.000 1.132 216 A CA -0.582 51.540 52.037 0.141 0.000 0.819 216 A CB 1.081 20.159 19.000 0.130 0.000 1.094 216 A HN 1.007 nan 8.150 nan 0.000 0.492 217 L N 1.942 123.301 121.223 0.226 0.000 2.362 217 L HA 0.629 4.973 4.340 0.007 0.000 0.275 217 L C -1.083 175.957 176.870 0.283 0.000 0.998 217 L CA -0.770 54.266 54.840 0.327 0.000 0.820 217 L CB 2.136 44.475 42.059 0.467 0.000 1.270 217 L HN 0.428 nan 8.230 nan 0.000 0.415 218 V N 3.182 123.218 119.914 0.203 0.000 2.623 218 V HA 0.519 4.644 4.120 0.007 0.000 0.304 218 V C -0.988 175.094 176.094 -0.020 0.000 1.054 218 V CA -0.498 61.874 62.300 0.121 0.000 0.882 218 V CB 1.939 33.771 31.823 0.016 0.000 1.002 218 V HN 0.407 nan 8.190 nan 0.000 0.424 219 F N 1.627 121.619 119.950 0.070 0.000 2.576 219 F HA 0.845 5.377 4.527 0.007 0.000 0.313 219 F C 0.620 176.443 175.800 0.039 0.000 1.078 219 F CA -0.622 57.421 58.000 0.072 0.000 0.921 219 F CB 2.755 41.799 39.000 0.073 0.000 1.232 219 F HN 0.549 nan 8.300 nan 0.000 0.459 220 G N 2.671 111.594 108.800 0.205 0.000 3.982 220 G HA2 0.233 4.197 3.960 0.007 0.000 0.274 220 G HA3 0.233 4.197 3.960 0.007 0.000 0.274 220 G C -0.950 174.024 174.900 0.124 0.000 1.847 220 G CA -0.550 44.626 45.100 0.127 0.000 0.608 220 G HN 0.281 nan 8.290 nan 0.000 0.407 221 Q N 0.758 120.656 119.800 0.163 0.000 2.631 221 Q HA 0.131 4.475 4.340 0.007 0.000 0.210 221 Q C 2.204 178.253 176.000 0.082 0.000 1.094 221 Q CA -0.251 55.637 55.803 0.142 0.000 1.055 221 Q CB 0.499 29.326 28.738 0.148 0.000 1.261 221 Q HN 0.722 nan 8.270 nan 0.000 0.615 222 M N -0.251 119.390 119.600 0.068 0.000 2.539 222 M HA -0.121 4.363 4.480 0.007 0.000 0.261 222 M C 0.991 177.310 176.300 0.030 0.000 1.069 222 M CA 1.678 57.003 55.300 0.042 0.000 1.081 222 M CB -0.446 32.171 32.600 0.028 0.000 1.412 222 M HN 0.452 nan 8.290 nan 0.000 0.482 223 N N 1.187 119.906 118.700 0.033 0.000 2.376 223 N HA -0.042 4.702 4.740 0.007 0.000 0.177 223 N C -0.097 175.426 175.510 0.021 0.000 1.024 223 N CA 0.524 53.587 53.050 0.022 0.000 0.893 223 N CB -0.351 38.146 38.487 0.018 0.000 0.980 223 N HN 0.577 nan 8.380 nan 0.000 0.439 224 E N 1.661 121.879 120.200 0.029 0.000 2.366 224 E HA 0.250 4.604 4.350 0.007 0.000 0.266 224 E C -2.189 174.424 176.600 0.021 0.000 1.051 224 E CA -1.905 54.511 56.400 0.027 0.000 0.884 224 E CB 0.416 30.138 29.700 0.037 0.000 1.006 224 E HN 0.222 nan 8.360 nan 0.000 0.417 225 P HA -0.103 nan 4.420 nan 0.000 0.270 225 P C -1.866 175.440 177.300 0.011 0.000 1.221 225 P CA -0.715 62.392 63.100 0.011 0.000 0.788 225 P CB -0.096 31.610 31.700 0.011 0.000 0.904 226 P HA -0.217 nan 4.420 nan 0.000 0.215 226 P C 1.537 178.840 177.300 0.005 0.000 1.157 226 P CA 2.242 65.338 63.100 -0.006 0.000 0.874 226 P CB -0.713 30.977 31.700 -0.017 0.000 0.790 227 G N 0.413 109.220 108.800 0.011 0.000 2.469 227 G HA2 -0.292 3.672 3.960 0.007 0.000 0.219 227 G HA3 -0.292 3.672 3.960 0.007 0.000 0.219 227 G C 1.822 176.743 174.900 0.035 0.000 1.150 227 G CA 1.478 46.593 45.100 0.024 0.000 0.763 227 G HN 0.412 nan 8.290 nan 0.000 0.561 228 A N 0.781 123.619 122.820 0.031 0.000 1.841 228 A HA 0.033 4.358 4.320 0.007 0.000 0.214 228 A C 2.416 180.026 177.584 0.042 0.000 1.195 228 A CA 1.598 53.657 52.037 0.036 0.000 0.611 228 A CB -0.480 18.540 19.000 0.034 0.000 0.835 228 A HN 0.325 nan 8.150 nan 0.000 0.443 229 R N -0.400 120.124 120.500 0.040 0.000 2.170 229 R HA -0.156 4.188 4.340 0.007 0.000 0.242 229 R C 2.311 178.658 176.300 0.078 0.000 1.145 229 R CA 1.109 57.237 56.100 0.048 0.000 0.984 229 R CB -0.460 29.860 30.300 0.033 0.000 0.869 229 R HN 0.554 nan 8.270 nan 0.000 0.455 230 A N 0.910 123.776 122.820 0.077 0.000 1.873 230 A HA -0.096 4.229 4.320 0.007 0.000 0.215 230 A C 1.867 179.584 177.584 0.221 0.000 1.186 230 A CA 1.046 53.166 52.037 0.139 0.000 0.616 230 A CB -0.013 19.026 19.000 0.064 0.000 0.823 230 A HN 0.082 nan 8.150 nan 0.000 0.442 231 R N -0.974 119.591 120.500 0.109 0.000 2.290 231 R HA 0.148 4.492 4.340 0.007 0.000 0.197 231 R C 1.678 177.969 176.300 -0.016 0.000 0.913 231 R CA 0.679 56.806 56.100 0.045 0.000 1.040 231 R CB -1.360 28.961 30.300 0.035 0.000 0.992 231 R HN 0.362 nan 8.270 nan 0.000 0.500 232 V N 1.517 121.434 119.914 0.006 0.000 2.867 232 V HA -0.158 3.967 4.120 0.007 0.000 0.260 232 V C 1.946 177.997 176.094 -0.072 0.000 1.099 232 V CA 1.812 64.100 62.300 -0.021 0.000 1.122 232 V CB -0.315 31.509 31.823 0.002 0.000 0.708 232 V HN 0.298 nan 8.190 nan 0.000 0.490 233 A N -0.687 122.079 122.820 -0.091 0.000 1.935 233 A HA 0.044 4.368 4.320 0.007 0.000 0.214 233 A C 2.021 179.478 177.584 -0.211 0.000 1.178 233 A CA 1.231 53.163 52.037 -0.176 0.000 0.640 233 A CB -0.337 18.515 19.000 -0.246 0.000 0.825 233 A HN 0.531 nan 8.150 nan 0.000 0.447 234 L N -0.607 120.488 121.223 -0.213 0.000 2.217 234 L HA -0.104 4.240 4.340 0.007 0.000 0.211 234 L C 2.633 179.400 176.870 -0.171 0.000 1.107 234 L CA 1.382 56.081 54.840 -0.235 0.000 0.783 234 L CB -0.653 41.212 42.059 -0.324 0.000 0.919 234 L HN 0.306 nan 8.230 nan 0.000 0.442 235 T N -0.273 114.204 114.554 -0.128 0.000 2.639 235 T HA -0.116 4.238 4.350 0.007 0.000 0.261 235 T C 1.851 176.512 174.700 -0.065 0.000 1.053 235 T CA 1.485 63.535 62.100 -0.083 0.000 1.158 235 T CB -0.586 68.251 68.868 -0.052 0.000 0.863 235 T HN 0.512 nan 8.240 nan 0.000 0.413 236 G N 1.091 109.847 108.800 -0.073 0.000 2.479 236 G HA2 -0.134 3.830 3.960 0.007 0.000 0.220 236 G HA3 -0.134 3.830 3.960 0.007 0.000 0.220 236 G C 1.490 176.357 174.900 -0.055 0.000 1.115 236 G CA 0.508 45.574 45.100 -0.058 0.000 0.757 236 G HN 0.354 nan 8.290 nan 0.000 0.560 237 L N 0.867 122.038 121.223 -0.086 0.000 2.109 237 L HA 0.085 4.429 4.340 0.007 0.000 0.207 237 L C 2.823 179.673 176.870 -0.034 0.000 1.086 237 L CA 2.141 56.932 54.840 -0.080 0.000 0.760 237 L CB -0.824 41.159 42.059 -0.127 0.000 0.910 237 L HN 0.141 nan 8.230 nan 0.000 0.437 238 T N 0.039 114.571 114.554 -0.036 0.000 2.867 238 T HA -0.073 4.281 4.350 0.007 0.000 0.268 238 T C 1.914 176.636 174.700 0.036 0.000 1.057 238 T CA 1.266 63.362 62.100 -0.006 0.000 1.136 238 T CB -0.149 68.704 68.868 -0.024 0.000 0.874 238 T HN 0.158 nan 8.240 nan 0.000 0.466 239 I N 1.710 122.304 120.570 0.040 0.000 2.315 239 I HA -0.009 4.166 4.170 0.007 0.000 0.248 239 I C 2.759 179.020 176.117 0.240 0.000 1.117 239 I CA 0.800 62.156 61.300 0.093 0.000 1.404 239 I CB -1.606 36.453 38.000 0.098 0.000 1.071 239 I HN 0.194 nan 8.210 nan 0.000 0.419 240 A N 0.178 123.108 122.820 0.183 0.000 2.021 240 A HA -0.076 4.248 4.320 0.007 0.000 0.216 240 A C 2.189 179.891 177.584 0.197 0.000 1.163 240 A CA 0.601 52.773 52.037 0.225 0.000 0.676 240 A CB -0.380 18.668 19.000 0.080 0.000 0.818 240 A HN 0.402 nan 8.150 nan 0.000 0.453 241 E N -1.695 118.573 120.200 0.114 0.000 2.208 241 E HA -0.151 4.204 4.350 0.007 0.000 0.193 241 E C 1.572 178.210 176.600 0.063 0.000 0.988 241 E CA 0.914 57.354 56.400 0.067 0.000 0.828 241 E CB -0.179 29.537 29.700 0.027 0.000 0.763 241 E HN 0.794 nan 8.360 nan 0.000 0.478 242 Y N -0.227 120.037 120.300 -0.060 0.000 2.263 242 Y HA -0.169 4.385 4.550 0.007 0.000 0.292 242 Y C 1.582 177.359 175.900 -0.205 0.000 1.130 242 Y CA 1.247 59.241 58.100 -0.176 0.000 1.179 242 Y CB -0.009 38.267 38.460 -0.307 0.000 0.998 242 Y HN -0.046 nan 8.280 nan 0.000 0.532 243 F N -0.159 119.858 119.950 0.111 0.000 2.325 243 F HA -0.060 4.472 4.527 0.008 0.000 0.299 243 F C 2.612 178.427 175.800 0.026 0.000 1.090 243 F CA 1.467 59.503 58.000 0.060 0.000 1.392 243 F CB -0.440 38.594 39.000 0.057 0.000 1.053 243 F HN -0.062 nan 8.300 nan 0.000 0.521 244 R N 0.306 120.904 120.500 0.163 0.000 2.062 244 R HA -0.106 4.239 4.340 0.007 0.000 0.229 244 R C 1.545 177.844 176.300 -0.001 0.000 1.128 244 R CA 1.881 58.029 56.100 0.080 0.000 0.960 244 R CB -0.213 30.117 30.300 0.051 0.000 0.855 244 R HN 0.136 nan 8.270 nan 0.000 0.432 245 D N 0.005 120.360 120.400 -0.075 0.000 2.278 245 D HA -0.068 4.576 4.640 0.007 0.000 0.228 245 D C 1.943 178.123 176.300 -0.201 0.000 1.020 245 D CA 0.656 54.581 54.000 -0.124 0.000 0.922 245 D CB -0.274 40.445 40.800 -0.134 0.000 1.051 245 D HN 0.134 nan 8.370 nan 0.000 0.452 246 E N 0.904 120.861 120.200 -0.405 0.000 2.058 246 E HA -0.195 4.159 4.350 0.007 0.000 0.194 246 E C 1.990 178.397 176.600 -0.321 0.000 0.997 246 E CA 1.050 57.146 56.400 -0.506 0.000 0.801 246 E CB -0.112 28.903 29.700 -1.143 0.000 0.746 246 E HN 0.255 nan 8.360 nan 0.000 0.450 247 E N -0.283 119.751 120.200 -0.277 0.000 2.076 247 E HA 0.006 4.360 4.350 0.007 0.000 0.190 247 E C 0.657 177.283 176.600 0.044 0.000 0.979 247 E CA 1.040 57.418 56.400 -0.037 0.000 0.807 247 E CB -0.011 29.746 29.700 0.094 0.000 0.761 247 E HN 0.309 nan 8.360 nan 0.000 0.454 248 G N 1.123 109.947 108.800 0.041 0.000 2.326 248 G HA2 -0.213 3.752 3.960 0.007 0.000 0.286 248 G HA3 -0.213 3.752 3.960 0.007 0.000 0.286 248 G C -0.375 174.593 174.900 0.112 0.000 1.096 248 G CA 0.380 45.513 45.100 0.055 0.000 1.003 248 G HN 0.141 nan 8.290 nan 0.000 0.503 249 Q N -0.379 119.535 119.800 0.189 0.000 2.351 249 Q HA 0.400 4.745 4.340 0.007 0.000 0.273 249 Q C -0.622 175.482 176.000 0.173 0.000 1.077 249 Q CA -0.860 55.074 55.803 0.218 0.000 0.843 249 Q CB 1.408 30.401 28.738 0.424 0.000 1.367 249 Q HN 0.282 nan 8.270 nan 0.000 0.449 250 D N 1.237 121.704 120.400 0.112 0.000 2.348 250 D HA 0.165 4.809 4.640 0.007 0.000 0.259 250 D C -0.492 175.941 176.300 0.223 0.000 1.296 250 D CA 0.209 54.275 54.000 0.110 0.000 0.931 250 D CB 0.401 41.211 40.800 0.016 0.000 1.067 250 D HN 0.062 nan 8.370 nan 0.000 0.503 251 V N 3.443 123.460 119.914 0.171 0.000 2.539 251 V HA 0.310 4.434 4.120 0.007 0.000 0.292 251 V C 0.444 176.530 176.094 -0.013 0.000 1.045 251 V CA -0.890 61.481 62.300 0.119 0.000 0.945 251 V CB 1.892 33.771 31.823 0.094 0.000 0.993 251 V HN 0.365 nan 8.190 nan 0.000 0.464 252 L N 5.196 126.313 121.223 -0.177 0.000 2.298 252 L HA 0.580 4.924 4.340 0.007 0.000 0.284 252 L C -1.169 175.501 176.870 -0.332 0.000 1.013 252 L CA -0.698 53.904 54.840 -0.397 0.000 0.824 252 L CB 1.425 43.041 42.059 -0.738 0.000 1.221 252 L HN 0.576 nan 8.230 nan 0.000 0.418 253 L N 5.402 126.387 121.223 -0.397 0.000 2.316 253 L HA 0.545 4.889 4.340 0.007 0.000 0.280 253 L C -1.252 175.345 176.870 -0.456 0.000 1.006 253 L CA 0.106 54.764 54.840 -0.303 0.000 0.836 253 L CB 1.113 43.053 42.059 -0.198 0.000 1.221 253 L HN 0.269 nan 8.230 nan 0.000 0.418 254 F N 5.694 125.543 119.950 -0.169 0.000 2.422 254 F HA 0.622 5.153 4.527 0.007 0.000 0.333 254 F C 0.177 175.703 175.800 -0.458 0.000 1.095 254 F CA -0.401 57.450 58.000 -0.249 0.000 1.038 254 F CB 1.356 40.281 39.000 -0.125 0.000 1.156 254 F HN 0.229 nan 8.300 nan 0.000 0.483 255 I N 2.516 122.942 120.570 -0.241 0.000 2.500 255 I HA 0.289 4.463 4.170 0.007 0.000 0.286 255 I C -1.605 174.348 176.117 -0.273 0.000 1.063 255 I CA -0.524 60.571 61.300 -0.341 0.000 1.062 255 I CB 2.048 39.896 38.000 -0.253 0.000 1.223 255 I HN 0.441 nan 8.210 nan 0.000 0.435 256 D N 5.526 125.722 120.400 -0.340 0.000 2.763 256 D HA 0.242 4.886 4.640 0.007 0.000 0.235 256 D C -1.421 174.831 176.300 -0.079 0.000 1.334 256 D CA -0.329 53.587 54.000 -0.142 0.000 0.950 256 D CB 1.535 42.307 40.800 -0.047 0.000 1.433 256 D HN 0.335 nan 8.370 nan 0.000 0.580 257 N N 4.869 123.571 118.700 0.003 0.000 2.392 257 N HA 0.194 4.939 4.740 0.007 0.000 0.283 257 N C 0.852 176.405 175.510 0.071 0.000 1.003 257 N CA -0.532 52.547 53.050 0.049 0.000 0.892 257 N CB 1.432 39.995 38.487 0.126 0.000 1.193 257 N HN 0.496 nan 8.380 nan 0.000 0.487 258 I N 3.542 124.135 120.570 0.039 0.000 2.567 258 I HA -0.184 3.990 4.170 0.007 0.000 0.257 258 I C 1.474 177.691 176.117 0.167 0.000 1.184 258 I CA 0.793 62.116 61.300 0.039 0.000 1.451 258 I CB -0.469 37.503 38.000 -0.046 0.000 1.089 258 I HN 0.554 nan 8.210 nan 0.000 0.441 259 F N 2.336 122.339 119.950 0.088 0.000 2.216 259 F HA -0.201 4.331 4.527 0.008 0.000 0.300 259 F C 2.283 178.177 175.800 0.156 0.000 1.085 259 F CA 1.283 59.375 58.000 0.153 0.000 1.326 259 F CB -0.265 38.868 39.000 0.221 0.000 1.027 259 F HN -0.023 nan 8.300 nan 0.000 0.497 260 R N 0.065 120.639 120.500 0.124 0.000 2.241 260 R HA -0.179 4.166 4.340 0.007 0.000 0.224 260 R C 1.999 178.269 176.300 -0.051 0.000 1.101 260 R CA 1.080 57.181 56.100 0.002 0.000 0.995 260 R CB -1.782 28.573 30.300 0.092 0.000 0.870 260 R HN 0.491 nan 8.270 nan 0.000 0.463 261 F N 1.599 121.469 119.950 -0.135 0.000 2.098 261 F HA -0.109 4.422 4.527 0.007 0.000 0.294 261 F C 1.787 177.510 175.800 -0.129 0.000 1.107 261 F CA 1.544 59.478 58.000 -0.111 0.000 1.234 261 F CB -0.436 38.509 39.000 -0.091 0.000 1.002 261 F HN -0.132 nan 8.300 nan 0.000 0.472 262 T N 0.424 114.683 114.554 -0.491 0.000 2.904 262 T HA -0.162 4.192 4.350 0.007 0.000 0.267 262 T C 1.890 176.367 174.700 -0.372 0.000 1.059 262 T CA 1.250 63.036 62.100 -0.522 0.000 1.137 262 T CB -0.325 68.393 68.868 -0.251 0.000 0.879 262 T HN 0.443 nan 8.240 nan 0.000 0.467 263 Q N 0.926 120.428 119.800 -0.495 0.000 2.050 263 Q HA -0.083 4.261 4.340 0.007 0.000 0.202 263 Q C 2.505 178.371 176.000 -0.223 0.000 0.980 263 Q CA 1.520 57.086 55.803 -0.395 0.000 0.840 263 Q CB -0.281 28.134 28.738 -0.540 0.000 0.898 263 Q HN 0.529 nan 8.270 nan 0.000 0.424 264 A N 0.349 123.044 122.820 -0.208 0.000 1.969 264 A HA -0.059 4.265 4.320 0.007 0.000 0.218 264 A C 2.228 179.716 177.584 -0.161 0.000 1.169 264 A CA 1.407 53.362 52.037 -0.137 0.000 0.635 264 A CB -1.049 17.900 19.000 -0.085 0.000 0.810 264 A HN 0.599 nan 8.150 nan 0.000 0.445 265 G N -0.004 108.638 108.800 -0.263 0.000 2.448 265 G HA2 -0.159 3.805 3.960 0.007 0.000 0.219 265 G HA3 -0.159 3.805 3.960 0.007 0.000 0.219 265 G C 1.859 176.668 174.900 -0.152 0.000 1.127 265 G CA 1.624 46.574 45.100 -0.250 0.000 0.766 265 G HN 0.818 nan 8.290 nan 0.000 0.552 266 S N 0.247 115.863 115.700 -0.139 0.000 2.446 266 S HA 0.044 4.518 4.470 0.007 0.000 0.225 266 S C 1.862 176.403 174.600 -0.098 0.000 1.016 266 S CA 1.059 59.195 58.200 -0.106 0.000 0.943 266 S CB -0.147 62.962 63.200 -0.152 0.000 0.786 266 S HN 0.533 nan 8.310 nan 0.000 0.508 267 E N 1.209 121.352 120.200 -0.095 0.000 2.110 267 E HA -0.107 4.247 4.350 0.007 0.000 0.193 267 E C 2.237 178.806 176.600 -0.051 0.000 0.988 267 E CA 1.622 57.981 56.400 -0.068 0.000 0.804 267 E CB -0.356 29.310 29.700 -0.057 0.000 0.745 267 E HN 0.692 nan 8.360 nan 0.000 0.458 268 V N -2.172 117.712 119.914 -0.051 0.000 3.174 268 V HA 0.016 4.141 4.120 0.007 0.000 0.254 268 V C 2.201 178.276 176.094 -0.030 0.000 1.120 268 V CA 1.168 63.448 62.300 -0.034 0.000 1.114 268 V CB 0.384 32.190 31.823 -0.028 0.000 0.756 268 V HN 0.081 nan 8.190 nan 0.000 0.467 269 S N 1.339 117.015 115.700 -0.039 0.000 2.387 269 S HA -0.213 4.261 4.470 0.007 0.000 0.230 269 S C 2.120 176.708 174.600 -0.019 0.000 1.035 269 S CA 2.113 60.297 58.200 -0.028 0.000 1.014 269 S CB -0.552 62.630 63.200 -0.030 0.000 0.836 269 S HN 1.020 nan 8.310 nan 0.000 0.466 270 A N 0.809 123.615 122.820 -0.024 0.000 1.930 270 A HA 0.127 4.452 4.320 0.007 0.000 0.217 270 A C 2.014 179.590 177.584 -0.012 0.000 1.175 270 A CA 1.208 53.234 52.037 -0.018 0.000 0.627 270 A CB -0.553 18.433 19.000 -0.024 0.000 0.815 270 A HN 0.581 nan 8.150 nan 0.000 0.443 271 L N -0.607 120.609 121.223 -0.013 0.000 2.599 271 L HA 0.125 4.469 4.340 0.007 0.000 0.230 271 L C 1.306 178.174 176.870 -0.003 0.000 1.141 271 L CA 0.087 54.922 54.840 -0.008 0.000 0.877 271 L CB -0.076 41.978 42.059 -0.008 0.000 1.009 271 L HN 0.299 nan 8.230 nan 0.000 0.447 272 L N -0.123 121.098 121.223 -0.003 0.000 2.628 272 L HA 0.254 4.599 4.340 0.007 0.000 0.229 272 L C 1.230 178.103 176.870 0.005 0.000 1.137 272 L CA 0.164 55.006 54.840 0.002 0.000 0.909 272 L CB -0.237 41.823 42.059 0.001 0.000 1.137 272 L HN 0.402 nan 8.230 nan 0.000 0.470 273 G N 1.285 110.087 108.800 0.003 0.000 2.198 273 G HA2 -0.291 3.673 3.960 0.007 0.000 0.257 273 G HA3 -0.291 3.673 3.960 0.007 0.000 0.257 273 G C 0.138 175.041 174.900 0.006 0.000 1.042 273 G CA -0.109 44.994 45.100 0.005 0.000 0.791 273 G HN 0.416 nan 8.290 nan 0.000 0.502 274 R N -0.743 119.760 120.500 0.004 0.000 2.312 274 R HA 0.532 4.876 4.340 0.007 0.000 0.311 274 R C 0.273 176.576 176.300 0.006 0.000 1.004 274 R CA -0.995 55.108 56.100 0.006 0.000 0.902 274 R CB 0.994 31.297 30.300 0.005 0.000 1.073 274 R HN 0.175 nan 8.270 nan 0.000 0.457 275 I N 5.759 126.334 120.570 0.009 0.000 2.581 275 I HA 0.014 4.188 4.170 0.007 0.000 0.285 275 I C -1.562 174.564 176.117 0.014 0.000 1.129 275 I CA -1.395 59.911 61.300 0.010 0.000 1.397 275 I CB -0.125 37.881 38.000 0.011 0.000 1.399 275 I HN 0.359 nan 8.210 nan 0.000 0.537 276 P HA -0.024 nan 4.420 nan 0.000 0.266 276 P C 0.006 177.326 177.300 0.033 0.000 1.186 276 P CA 0.079 63.190 63.100 0.018 0.000 0.767 276 P CB 0.926 32.631 31.700 0.007 0.000 0.820 277 S N 1.242 116.976 115.700 0.057 0.000 3.006 277 S HA 0.563 5.037 4.470 0.007 0.000 0.225 277 S C -0.025 174.626 174.600 0.084 0.000 1.097 277 S CA -0.096 58.145 58.200 0.068 0.000 1.260 277 S CB -0.087 63.161 63.200 0.080 0.000 1.085 277 S HN 0.587 nan 8.310 nan 0.000 0.568 278 A N 0.628 123.511 122.820 0.105 0.000 2.454 278 A HA 0.495 4.819 4.320 0.007 0.000 0.260 278 A C 0.737 178.438 177.584 0.196 0.000 1.106 278 A CA 0.113 52.219 52.037 0.114 0.000 0.780 278 A CB -0.583 18.468 19.000 0.086 0.000 1.044 278 A HN 1.462 nan 8.150 nan 0.000 0.498 279 V N 1.791 121.790 119.914 0.142 0.000 4.112 279 V HA -0.314 3.811 4.120 0.007 0.000 0.233 279 V C 1.666 177.800 176.094 0.066 0.000 0.458 279 V CA 1.634 64.020 62.300 0.143 0.000 0.909 279 V CB -2.422 29.549 31.823 0.247 0.000 0.963 279 V HN 2.824 nan 8.190 nan 0.000 1.260 280 G N -2.671 106.157 108.800 0.047 0.000 2.148 280 G HA2 -0.340 3.624 3.960 0.007 0.000 0.254 280 G HA3 -0.340 3.624 3.960 0.007 0.000 0.254 280 G C -0.153 174.697 174.900 -0.083 0.000 0.981 280 G CA 0.411 45.491 45.100 -0.033 0.000 0.670 280 G HN 0.855 nan 8.290 nan 0.000 0.528 281 Y N 1.227 121.532 120.300 0.008 0.000 2.299 281 Y HA 0.417 4.972 4.550 0.007 0.000 0.335 281 Y C 1.382 177.271 175.900 -0.017 0.000 1.287 281 Y CA 0.027 58.122 58.100 -0.007 0.000 1.424 281 Y CB 0.485 38.947 38.460 0.003 0.000 1.326 281 Y HN 0.397 nan 8.280 nan 0.000 0.567 282 Q N 2.218 122.110 119.800 0.153 0.000 2.364 282 Q HA 0.105 4.450 4.340 0.007 0.000 0.267 282 Q C -2.431 173.608 176.000 0.066 0.000 0.999 282 Q CA -1.686 54.156 55.803 0.064 0.000 0.886 282 Q CB 0.806 29.554 28.738 0.016 0.000 1.243 282 Q HN 0.387 nan 8.270 nan 0.000 0.415 283 P HA -0.098 nan 4.420 nan 0.000 0.221 283 P C 0.519 177.838 177.300 0.031 0.000 1.145 283 P CA 1.623 64.745 63.100 0.037 0.000 0.795 283 P CB 0.050 31.766 31.700 0.026 0.000 0.775 284 T N -3.925 110.645 114.554 0.026 0.000 3.240 284 T HA 0.259 4.614 4.350 0.007 0.000 0.248 284 T C 1.082 175.797 174.700 0.024 0.000 0.929 284 T CA -0.403 61.713 62.100 0.026 0.000 0.939 284 T CB -0.955 67.927 68.868 0.024 0.000 1.114 284 T HN -0.035 nan 8.240 nan 0.000 0.558 285 L N 0.802 122.038 121.223 0.022 0.000 2.027 285 L HA 0.145 4.489 4.340 0.007 0.000 0.206 285 L C 2.688 179.576 176.870 0.030 0.000 1.074 285 L CA 1.615 56.458 54.840 0.005 0.000 0.745 285 L CB -0.518 41.527 42.059 -0.024 0.000 0.898 285 L HN 0.472 nan 8.230 nan 0.000 0.433 286 A N -0.668 122.180 122.820 0.046 0.000 1.930 286 A HA -0.155 4.170 4.320 0.007 0.000 0.215 286 A C 2.338 179.985 177.584 0.106 0.000 1.176 286 A CA 1.731 53.818 52.037 0.083 0.000 0.632 286 A CB -1.065 17.979 19.000 0.074 0.000 0.819 286 A HN 0.602 nan 8.150 nan 0.000 0.445 287 T N -1.850 112.755 114.554 0.085 0.000 2.777 287 T HA -0.147 4.207 4.350 0.007 0.000 0.266 287 T C 1.336 176.103 174.700 0.111 0.000 1.040 287 T CA 1.570 63.723 62.100 0.089 0.000 1.141 287 T CB -0.524 68.384 68.868 0.066 0.000 0.868 287 T HN 0.316 nan 8.240 nan 0.000 0.444 288 D N 1.134 121.612 120.400 0.129 0.000 2.104 288 D HA -0.034 4.611 4.640 0.007 0.000 0.194 288 D C 1.801 178.282 176.300 0.302 0.000 0.994 288 D CA 0.981 55.119 54.000 0.229 0.000 0.830 288 D CB -0.451 40.455 40.800 0.177 0.000 0.959 288 D HN 0.398 nan 8.370 nan 0.000 0.452 289 M N 0.005 119.746 119.600 0.236 0.000 2.722 289 M HA 0.066 4.550 4.480 0.007 0.000 0.238 289 M C 1.234 177.501 176.300 -0.055 0.000 1.098 289 M CA 0.459 55.833 55.300 0.123 0.000 1.062 289 M CB 0.200 32.857 32.600 0.095 0.000 1.573 289 M HN 0.016 nan 8.290 nan 0.000 0.531 290 G N -0.098 108.733 108.800 0.052 0.000 2.763 290 G HA2 0.045 4.009 3.960 0.007 0.000 0.205 290 G HA3 0.045 4.009 3.960 0.007 0.000 0.205 290 G C 1.102 176.025 174.900 0.039 0.000 1.137 290 G CA -0.188 44.962 45.100 0.083 0.000 0.839 290 G HN 0.385 nan 8.290 nan 0.000 0.596 291 L N 0.231 121.484 121.223 0.050 0.000 2.127 291 L HA -0.051 4.294 4.340 0.007 0.000 0.211 291 L C 2.614 179.469 176.870 -0.026 0.000 1.089 291 L CA 0.737 55.599 54.840 0.036 0.000 0.757 291 L CB -0.264 41.840 42.059 0.075 0.000 0.899 291 L HN 0.256 nan 8.230 nan 0.000 0.434 292 L N -0.903 120.262 121.223 -0.097 0.000 2.145 292 L HA -0.090 4.254 4.340 0.007 0.000 0.201 292 L C 2.398 179.138 176.870 -0.216 0.000 1.075 292 L CA 1.463 56.164 54.840 -0.232 0.000 0.773 292 L CB -0.350 41.403 42.059 -0.510 0.000 0.936 292 L HN 0.064 nan 8.230 nan 0.000 0.451 293 Q N -0.333 119.332 119.800 -0.224 0.000 2.230 293 Q HA -0.095 4.249 4.340 0.007 0.000 0.202 293 Q C 1.891 177.838 176.000 -0.090 0.000 0.963 293 Q CA 1.077 56.738 55.803 -0.238 0.000 0.866 293 Q CB 0.014 28.432 28.738 -0.533 0.000 0.931 293 Q HN 0.436 nan 8.270 nan 0.000 0.452 294 E N -0.472 119.712 120.200 -0.026 0.000 2.482 294 E HA -0.043 4.311 4.350 0.007 0.000 0.196 294 E C 1.316 177.914 176.600 -0.003 0.000 1.047 294 E CA 0.325 56.743 56.400 0.030 0.000 0.869 294 E CB 0.216 29.954 29.700 0.064 0.000 0.836 294 E HN 0.326 nan 8.360 nan 0.000 0.520 295 R N -0.041 120.436 120.500 -0.039 0.000 2.173 295 R HA 0.199 4.543 4.340 0.007 0.000 0.208 295 R C 1.050 177.318 176.300 -0.053 0.000 1.035 295 R CA 0.194 56.268 56.100 -0.043 0.000 1.004 295 R CB 0.265 30.530 30.300 -0.059 0.000 0.917 295 R HN 0.046 nan 8.270 nan 0.000 0.462 296 I N 1.883 122.409 120.570 -0.074 0.000 2.268 296 I HA 0.044 4.219 4.170 0.007 0.000 0.298 296 I C 0.143 176.225 176.117 -0.058 0.000 1.185 296 I CA 0.244 61.495 61.300 -0.082 0.000 1.548 296 I CB 0.003 37.932 38.000 -0.120 0.000 1.492 296 I HN -0.033 nan 8.210 nan 0.000 0.711 297 T N 2.309 116.838 114.554 -0.041 0.000 2.787 297 T HA 0.379 4.733 4.350 0.007 0.000 0.297 297 T C -0.412 174.271 174.700 -0.028 0.000 1.221 297 T CA -0.308 61.774 62.100 -0.030 0.000 1.006 297 T CB 2.065 70.923 68.868 -0.016 0.000 1.328 297 T HN 0.220 nan 8.240 nan 0.000 0.509 298 T N 2.623 117.161 114.554 -0.027 0.000 2.749 298 T HA 0.598 4.952 4.350 0.007 0.000 0.287 298 T C 0.225 174.907 174.700 -0.030 0.000 0.970 298 T CA -0.450 61.636 62.100 -0.024 0.000 0.980 298 T CB 0.759 69.614 68.868 -0.022 0.000 0.924 298 T HN 0.833 nan 8.240 nan 0.000 0.456 299 T N 0.553 115.092 114.554 -0.026 0.000 2.938 299 T HA 0.472 4.827 4.350 0.007 0.000 0.285 299 T C 1.165 175.845 174.700 -0.032 0.000 1.028 299 T CA -1.012 61.067 62.100 -0.034 0.000 1.005 299 T CB 1.385 70.234 68.868 -0.031 0.000 1.157 299 T HN 0.391 nan 8.240 nan 0.000 0.550 300 K N -0.036 120.340 120.400 -0.039 0.000 2.283 300 K HA 0.008 4.333 4.320 0.007 0.000 0.202 300 K C 2.175 178.760 176.600 -0.024 0.000 1.048 300 K CA 0.609 56.876 56.287 -0.033 0.000 0.948 300 K CB 0.013 32.490 32.500 -0.038 0.000 0.742 300 K HN 0.360 nan 8.250 nan 0.000 0.458 301 K N 0.300 120.685 120.400 -0.025 0.000 2.057 301 K HA -0.015 4.309 4.320 0.007 0.000 0.206 301 K C 1.107 177.701 176.600 -0.009 0.000 1.050 301 K CA 0.977 57.250 56.287 -0.023 0.000 0.935 301 K CB 0.054 32.534 32.500 -0.034 0.000 0.715 301 K HN 0.256 nan 8.250 nan 0.000 0.439 302 G N -0.096 108.703 108.800 -0.002 0.000 2.702 302 G HA2 0.203 4.168 3.960 0.007 0.000 0.296 302 G HA3 0.203 4.168 3.960 0.007 0.000 0.296 302 G C -1.383 173.529 174.900 0.019 0.000 1.463 302 G CA -0.536 44.577 45.100 0.020 0.000 0.890 302 G HN -0.004 nan 8.290 nan 0.000 0.534 303 S N -0.886 114.830 115.700 0.027 0.000 2.601 303 S HA 0.687 5.161 4.470 0.007 0.000 0.271 303 S C -0.241 174.376 174.600 0.028 0.000 1.305 303 S CA -0.361 57.850 58.200 0.019 0.000 1.022 303 S CB 1.168 64.380 63.200 0.019 0.000 0.940 303 S HN 1.034 nan 8.310 nan 0.000 0.525 304 V N 3.928 123.844 119.914 0.004 0.000 2.532 304 V HA 0.327 4.451 4.120 0.007 0.000 0.294 304 V C -0.486 175.575 176.094 -0.055 0.000 1.036 304 V CA -0.773 61.517 62.300 -0.017 0.000 0.876 304 V CB 1.817 33.624 31.823 -0.026 0.000 1.012 304 V HN 0.990 nan 8.190 nan 0.000 0.432 305 T N 3.505 118.009 114.554 -0.083 0.000 2.743 305 T HA 0.466 4.821 4.350 0.007 0.000 0.293 305 T C 0.213 174.761 174.700 -0.253 0.000 0.945 305 T CA -0.305 61.711 62.100 -0.139 0.000 1.030 305 T CB 1.039 69.833 68.868 -0.123 0.000 0.912 305 T HN 0.811 nan 8.240 nan 0.000 0.483 306 S N 1.882 117.434 115.700 -0.247 0.000 2.472 306 S HA 0.682 5.157 4.470 0.007 0.000 0.303 306 S C -0.605 173.784 174.600 -0.351 0.000 1.099 306 S CA -0.781 57.236 58.200 -0.304 0.000 1.077 306 S CB 1.331 64.400 63.200 -0.218 0.000 1.031 306 S HN 0.406 nan 8.310 nan 0.000 0.487 307 V N 4.405 124.066 119.914 -0.421 0.000 2.454 307 V HA 0.350 4.474 4.120 0.007 0.000 0.267 307 V C -0.425 175.579 176.094 -0.150 0.000 0.993 307 V CA -0.600 61.517 62.300 -0.305 0.000 0.836 307 V CB 0.579 32.251 31.823 -0.251 0.000 1.055 307 V HN 0.994 nan 8.190 nan 0.000 0.452 308 Q N 2.778 122.460 119.800 -0.197 0.000 2.282 308 Q HA 0.882 5.227 4.340 0.007 0.000 0.260 308 Q C -0.314 175.570 176.000 -0.194 0.000 0.964 308 Q CA -0.673 55.026 55.803 -0.174 0.000 0.880 308 Q CB 2.738 31.354 28.738 -0.202 0.000 1.286 308 Q HN 0.578 nan 8.270 nan 0.000 0.445 309 A N 2.490 125.231 122.820 -0.131 0.000 2.327 309 A HA 0.583 4.908 4.320 0.007 0.000 0.283 309 A C -0.532 176.968 177.584 -0.139 0.000 1.127 309 A CA -0.641 51.314 52.037 -0.136 0.000 0.810 309 A CB 1.028 20.011 19.000 -0.029 0.000 1.066 309 A HN 0.563 nan 8.150 nan 0.000 0.492 310 V N 2.965 122.746 119.914 -0.222 0.000 2.443 310 V HA 0.227 4.351 4.120 0.007 0.000 0.293 310 V C -0.695 175.411 176.094 0.019 0.000 1.021 310 V CA -0.499 61.732 62.300 -0.115 0.000 0.848 310 V CB 1.049 32.636 31.823 -0.394 0.000 0.998 310 V HN 0.840 nan 8.190 nan 0.000 0.424 311 Y N 5.039 125.302 120.300 -0.061 0.000 2.336 311 Y HA 0.537 5.091 4.550 0.007 0.000 0.331 311 Y C -0.104 175.550 175.900 -0.411 0.000 1.211 311 Y CA -0.169 57.761 58.100 -0.284 0.000 1.346 311 Y CB 1.395 39.573 38.460 -0.469 0.000 1.271 311 Y HN 0.372 nan 8.280 nan 0.000 0.538 312 V N 8.144 127.373 119.914 -1.141 0.000 2.357 312 V HA 0.291 4.415 4.120 0.007 0.000 0.281 312 V C -2.367 173.103 176.094 -1.040 0.000 1.015 312 V CA -2.094 59.737 62.300 -0.782 0.000 0.827 312 V CB 1.095 32.727 31.823 -0.318 0.000 1.018 312 V HN 0.720 nan 8.190 nan 0.000 0.432 313 P HA 0.108 nan 4.420 nan 0.000 0.261 313 P C 0.687 177.907 177.300 -0.134 0.000 1.183 313 P CA 0.852 63.804 63.100 -0.248 0.000 0.761 313 P CB 0.640 32.405 31.700 0.108 0.000 0.785 314 A N 4.056 126.840 122.820 -0.059 0.000 2.798 314 A HA -0.270 4.054 4.320 0.007 0.000 0.282 314 A C 0.832 178.381 177.584 -0.059 0.000 1.464 314 A CA 1.283 53.307 52.037 -0.021 0.000 0.844 314 A CB -2.651 16.360 19.000 0.017 0.000 1.006 314 A HN 0.639 nan 8.150 nan 0.000 0.577 315 D N -1.945 118.378 120.400 -0.130 0.000 3.012 315 D HA -0.162 4.483 4.640 0.007 0.000 0.222 315 D C -0.288 175.965 176.300 -0.078 0.000 1.167 315 D CA 2.009 55.944 54.000 -0.108 0.000 0.854 315 D CB -1.004 39.762 40.800 -0.057 0.000 1.107 315 D HN 0.885 nan 8.370 nan 0.000 0.421 316 D N 0.026 120.381 120.400 -0.075 0.000 2.428 316 D HA 0.243 4.887 4.640 0.007 0.000 0.221 316 D C 1.238 177.513 176.300 -0.042 0.000 1.123 316 D CA -0.350 53.625 54.000 -0.041 0.000 0.869 316 D CB 0.446 41.241 40.800 -0.008 0.000 1.032 316 D HN 0.128 nan 8.370 nan 0.000 0.506 317 L N 2.507 123.700 121.223 -0.051 0.000 2.465 317 L HA -0.064 4.280 4.340 0.007 0.000 0.224 317 L C 2.156 178.993 176.870 -0.054 0.000 1.145 317 L CA 1.083 55.891 54.840 -0.054 0.000 0.834 317 L CB -0.279 41.726 42.059 -0.090 0.000 0.944 317 L HN 0.487 nan 8.230 nan 0.000 0.451 318 T N -4.863 109.664 114.554 -0.044 0.000 3.100 318 T HA -0.066 4.289 4.350 0.007 0.000 0.253 318 T C 0.833 175.530 174.700 -0.006 0.000 1.118 318 T CA -0.361 61.716 62.100 -0.038 0.000 1.058 318 T CB -0.246 68.601 68.868 -0.034 0.000 0.953 318 T HN 0.126 nan 8.240 nan 0.000 0.515 319 D N 3.017 123.429 120.400 0.019 0.000 2.533 319 D HA 0.036 4.681 4.640 0.007 0.000 0.236 319 D C -1.504 174.786 176.300 -0.016 0.000 1.137 319 D CA -1.584 52.450 54.000 0.055 0.000 0.867 319 D CB 1.515 42.388 40.800 0.120 0.000 1.170 319 D HN 0.041 nan 8.370 nan 0.000 0.474 320 P HA -0.173 nan 4.420 nan 0.000 0.218 320 P C 0.693 177.839 177.300 -0.258 0.000 1.146 320 P CA 1.651 64.615 63.100 -0.226 0.000 0.820 320 P CB 0.211 31.681 31.700 -0.383 0.000 0.778 321 A N 0.356 123.001 122.820 -0.292 0.000 1.832 321 A HA -0.044 4.280 4.320 0.007 0.000 0.214 321 A C -0.137 177.547 177.584 0.166 0.000 1.204 321 A CA 1.642 53.647 52.037 -0.054 0.000 0.606 321 A CB -2.034 17.094 19.000 0.213 0.000 0.849 321 A HN 0.199 nan 8.150 nan 0.000 0.445 322 P HA -0.018 nan 4.420 nan 0.000 0.226 322 P C 1.380 178.828 177.300 0.246 0.000 1.153 322 P CA 1.604 64.878 63.100 0.290 0.000 0.777 322 P CB -0.006 31.816 31.700 0.203 0.000 0.794 323 A N 0.395 123.310 122.820 0.159 0.000 1.872 323 A HA -0.096 4.229 4.320 0.007 0.000 0.214 323 A C 2.302 179.999 177.584 0.188 0.000 1.187 323 A CA 2.144 54.264 52.037 0.139 0.000 0.614 323 A CB -1.815 17.199 19.000 0.023 0.000 0.826 323 A HN 0.159 nan 8.150 nan 0.000 0.442 324 T N 0.074 114.716 114.554 0.147 0.000 2.867 324 T HA -0.100 4.254 4.350 0.007 0.000 0.268 324 T C 1.947 176.820 174.700 0.288 0.000 1.057 324 T CA 1.810 64.012 62.100 0.169 0.000 1.136 324 T CB -0.538 68.404 68.868 0.124 0.000 0.874 324 T HN 0.568 nan 8.240 nan 0.000 0.466 325 T N 1.850 116.589 114.554 0.308 0.000 2.720 325 T HA -0.071 4.284 4.350 0.007 0.000 0.268 325 T C 1.554 176.477 174.700 0.372 0.000 1.037 325 T CA 1.005 63.309 62.100 0.339 0.000 1.144 325 T CB -0.661 68.394 68.868 0.311 0.000 0.864 325 T HN 0.289 nan 8.240 nan 0.000 0.444 326 F N 1.918 122.033 119.950 0.275 0.000 2.111 326 F HA -0.196 4.335 4.527 0.007 0.000 0.300 326 F C 2.523 178.401 175.800 0.129 0.000 1.088 326 F CA 1.200 59.316 58.000 0.193 0.000 1.243 326 F CB -0.549 38.440 39.000 -0.020 0.000 0.996 326 F HN 0.155 nan 8.300 nan 0.000 0.483 327 A N -1.984 120.983 122.820 0.244 0.000 2.258 327 A HA -0.085 4.239 4.320 0.007 0.000 0.206 327 A C 1.416 178.935 177.584 -0.108 0.000 1.222 327 A CA 0.827 52.891 52.037 0.044 0.000 0.822 327 A CB -0.923 18.052 19.000 -0.043 0.000 0.804 327 A HN 0.521 nan 8.150 nan 0.000 0.483 328 H N -1.356 117.773 119.070 0.097 0.000 2.874 328 H HA 0.316 4.876 4.556 0.007 0.000 0.264 328 H C -0.081 175.261 175.328 0.023 0.000 1.007 328 H CA 0.034 56.111 56.048 0.048 0.000 1.207 328 H CB 0.440 30.220 29.762 0.030 0.000 1.487 328 H HN 0.342 nan 8.280 nan 0.000 0.505 329 L N 1.083 122.390 121.223 0.140 0.000 2.334 329 L HA 0.182 4.526 4.340 0.007 0.000 0.275 329 L C 0.870 177.781 176.870 0.070 0.000 1.036 329 L CA -0.511 54.369 54.840 0.066 0.000 0.807 329 L CB 1.515 43.592 42.059 0.029 0.000 1.231 329 L HN -0.063 nan 8.230 nan 0.000 0.438 330 D N 1.205 121.628 120.400 0.037 0.000 2.240 330 D HA 0.134 4.778 4.640 0.007 0.000 0.206 330 D C 0.368 176.714 176.300 0.076 0.000 0.963 330 D CA 0.697 54.727 54.000 0.049 0.000 0.863 330 D CB 0.655 41.472 40.800 0.028 0.000 0.973 330 D HN 0.529 nan 8.370 nan 0.000 0.501 331 A N 0.475 123.338 122.820 0.073 0.000 2.427 331 A HA 0.561 4.886 4.320 0.007 0.000 0.298 331 A C -0.460 177.193 177.584 0.116 0.000 1.036 331 A CA -0.616 51.501 52.037 0.132 0.000 0.701 331 A CB 1.526 20.657 19.000 0.218 0.000 1.250 331 A HN -0.011 nan 8.150 nan 0.000 0.412 332 T N -0.550 114.114 114.554 0.184 0.000 2.824 332 T HA 0.716 5.071 4.350 0.007 0.000 0.282 332 T C -0.352 174.479 174.700 0.218 0.000 0.993 332 T CA -0.149 62.067 62.100 0.193 0.000 0.967 332 T CB 1.300 70.366 68.868 0.330 0.000 0.960 332 T HN 1.294 nan 8.240 nan 0.000 0.441 333 T N 0.412 115.062 114.554 0.161 0.000 2.977 333 T HA 0.559 4.913 4.350 0.007 0.000 0.346 333 T C 0.282 175.021 174.700 0.065 0.000 1.140 333 T CA -0.779 61.392 62.100 0.117 0.000 1.040 333 T CB 0.047 68.972 68.868 0.095 0.000 1.046 333 T HN 1.016 nan 8.240 nan 0.000 0.494 334 V N 2.365 122.363 119.914 0.140 0.000 2.649 334 V HA 0.564 4.688 4.120 0.007 0.000 0.292 334 V C 0.031 176.160 176.094 0.058 0.000 1.055 334 V CA -0.947 61.444 62.300 0.152 0.000 1.023 334 V CB 0.469 32.402 31.823 0.184 0.000 0.992 334 V HN 0.835 nan 8.190 nan 0.000 0.480 335 L N 4.391 125.639 121.223 0.042 0.000 2.264 335 L HA 0.444 4.788 4.340 0.007 0.000 0.287 335 L C 0.473 177.358 176.870 0.024 0.000 1.039 335 L CA 0.107 54.956 54.840 0.017 0.000 0.829 335 L CB 1.455 43.514 42.059 0.001 0.000 1.211 335 L HN 0.876 nan 8.230 nan 0.000 0.427 336 S N 3.042 118.754 115.700 0.019 0.000 2.438 336 S HA 0.231 4.706 4.470 0.007 0.000 0.293 336 S C 1.140 175.739 174.600 -0.002 0.000 1.141 336 S CA -0.607 57.598 58.200 0.008 0.000 1.080 336 S CB 1.041 64.246 63.200 0.008 0.000 0.978 336 S HN 0.727 nan 8.310 nan 0.000 0.479 337 R N 3.589 124.088 120.500 -0.002 0.000 2.152 337 R HA -0.076 4.269 4.340 0.007 0.000 0.232 337 R C 2.008 178.303 176.300 -0.009 0.000 1.117 337 R CA 1.690 57.788 56.100 -0.002 0.000 0.981 337 R CB -0.883 29.421 30.300 0.006 0.000 0.870 337 R HN 0.831 nan 8.270 nan 0.000 0.451 338 G N 1.292 110.087 108.800 -0.007 0.000 2.442 338 G HA2 -0.203 3.761 3.960 0.007 0.000 0.219 338 G HA3 -0.203 3.761 3.960 0.007 0.000 0.219 338 G C 1.314 176.209 174.900 -0.008 0.000 1.141 338 G CA 0.600 45.696 45.100 -0.007 0.000 0.763 338 G HN 0.222 nan 8.290 nan 0.000 0.554 339 I N 1.057 121.619 120.570 -0.013 0.000 2.500 339 I HA -0.027 4.147 4.170 0.007 0.000 0.252 339 I C 2.742 178.818 176.117 -0.067 0.000 1.142 339 I CA 1.183 62.473 61.300 -0.017 0.000 1.451 339 I CB -1.006 36.990 38.000 -0.007 0.000 1.093 339 I HN 0.248 nan 8.210 nan 0.000 0.430 340 S N 0.750 116.392 115.700 -0.097 0.000 2.423 340 S HA -0.141 4.334 4.470 0.007 0.000 0.231 340 S C 1.723 176.270 174.600 -0.088 0.000 1.014 340 S CA 1.037 59.125 58.200 -0.186 0.000 0.965 340 S CB -0.137 62.989 63.200 -0.123 0.000 0.785 340 S HN 0.463 nan 8.310 nan 0.000 0.495 341 E N 0.270 120.456 120.200 -0.024 0.000 2.418 341 E HA 0.024 4.379 4.350 0.007 0.000 0.197 341 E C 1.681 178.296 176.600 0.025 0.000 1.026 341 E CA 0.516 56.925 56.400 0.015 0.000 0.862 341 E CB -0.042 29.668 29.700 0.016 0.000 0.799 341 E HN 0.526 nan 8.360 nan 0.000 0.518 342 L N -0.902 120.328 121.223 0.012 0.000 2.209 342 L HA 0.098 4.442 4.340 0.007 0.000 0.207 342 L C 1.599 178.498 176.870 0.047 0.000 1.094 342 L CA 0.791 55.647 54.840 0.026 0.000 0.790 342 L CB 0.192 42.270 42.059 0.030 0.000 0.932 342 L HN 0.300 nan 8.230 nan 0.000 0.447 343 G N 0.085 108.923 108.800 0.064 0.000 2.183 343 G HA2 -0.174 3.791 3.960 0.007 0.000 0.168 343 G HA3 -0.174 3.791 3.960 0.007 0.000 0.168 343 G C 0.138 175.235 174.900 0.329 0.000 1.008 343 G CA -0.617 44.624 45.100 0.236 0.000 0.677 343 G HN 0.141 nan 8.290 nan 0.000 0.498 344 I N 1.084 121.692 120.570 0.064 0.000 2.441 344 I HA 0.481 4.656 4.170 0.007 0.000 0.287 344 I C -0.162 175.841 176.117 -0.189 0.000 1.049 344 I CA -0.464 60.902 61.300 0.110 0.000 1.381 344 I CB 0.590 38.639 38.000 0.080 0.000 1.409 344 I HN 0.062 nan 8.210 nan 0.000 0.523 345 Y N 6.856 127.215 120.300 0.099 0.000 2.421 345 Y HA 0.391 4.945 4.550 0.006 0.000 0.339 345 Y C -2.300 173.573 175.900 -0.046 0.000 0.996 345 Y CA -2.532 55.612 58.100 0.074 0.000 1.046 345 Y CB 1.704 40.202 38.460 0.063 0.000 1.226 345 Y HN 0.394 nan 8.280 nan 0.000 0.445 346 P HA 0.191 nan 4.420 nan 0.000 0.274 346 P C -0.340 177.066 177.300 0.175 0.000 1.246 346 P CA -0.462 62.876 63.100 0.396 0.000 0.795 346 P CB 1.084 33.231 31.700 0.745 0.000 1.006 347 A N 1.605 124.485 122.820 0.101 0.000 2.916 347 A HA 0.237 4.561 4.320 0.007 0.000 0.254 347 A C 0.393 178.003 177.584 0.044 0.000 1.544 347 A CA -0.280 51.760 52.037 0.005 0.000 1.224 347 A CB -1.342 17.628 19.000 -0.050 0.000 1.012 347 A HN 0.325 nan 8.150 nan 0.000 0.636 348 V N 1.371 121.335 119.914 0.083 0.000 2.521 348 V HA 0.031 4.155 4.120 0.007 0.000 0.286 348 V C 0.438 176.566 176.094 0.056 0.000 1.034 348 V CA -0.428 61.912 62.300 0.067 0.000 1.045 348 V CB 1.047 32.935 31.823 0.108 0.000 0.974 348 V HN 0.595 nan 8.190 nan 0.000 0.480 349 D N 8.159 128.589 120.400 0.050 0.000 2.336 349 D HA 0.147 4.791 4.640 0.007 0.000 0.249 349 D C -1.237 175.094 176.300 0.052 0.000 1.213 349 D CA -1.740 52.289 54.000 0.047 0.000 0.870 349 D CB 1.934 42.760 40.800 0.043 0.000 1.076 349 D HN 0.300 nan 8.370 nan 0.000 0.483 350 P HA -0.041 nan 4.420 nan 0.000 0.225 350 P C 1.436 178.757 177.300 0.035 0.000 1.156 350 P CA 0.394 63.516 63.100 0.038 0.000 0.787 350 P CB 0.629 32.350 31.700 0.036 0.000 0.802 351 L N -0.923 120.321 121.223 0.035 0.000 2.585 351 L HA 0.181 4.525 4.340 0.007 0.000 0.226 351 L C 1.478 178.362 176.870 0.024 0.000 1.113 351 L CA 0.604 55.459 54.840 0.026 0.000 0.876 351 L CB -0.109 41.962 42.059 0.021 0.000 1.072 351 L HN -0.133 nan 8.230 nan 0.000 0.468 352 D N -1.164 119.257 120.400 0.034 0.000 2.513 352 D HA 0.083 4.727 4.640 0.007 0.000 0.222 352 D C -0.019 176.331 176.300 0.083 0.000 1.210 352 D CA 0.154 54.174 54.000 0.034 0.000 0.825 352 D CB 0.627 41.436 40.800 0.014 0.000 1.037 352 D HN -0.130 nan 8.370 nan 0.000 0.506 353 S N 0.931 116.687 115.700 0.093 0.000 2.429 353 S HA 0.412 4.887 4.470 0.007 0.000 0.302 353 S C -0.098 174.576 174.600 0.122 0.000 1.115 353 S CA -0.671 57.608 58.200 0.131 0.000 1.095 353 S CB 1.413 64.684 63.200 0.118 0.000 0.987 353 S HN -0.009 nan 8.310 nan 0.000 0.474 354 K N 1.419 121.910 120.400 0.152 0.000 2.295 354 K HA 0.737 5.062 4.320 0.007 0.000 0.239 354 K C -0.379 176.305 176.600 0.140 0.000 0.991 354 K CA -0.691 55.674 56.287 0.130 0.000 0.845 354 K CB 1.954 34.526 32.500 0.120 0.000 1.197 354 K HN 0.541 nan 8.250 nan 0.000 0.441 355 S N -0.114 115.654 115.700 0.114 0.000 2.535 355 S HA 0.310 4.784 4.470 0.007 0.000 0.272 355 S C 0.001 174.646 174.600 0.074 0.000 1.149 355 S CA -0.617 57.648 58.200 0.107 0.000 0.888 355 S CB 1.300 64.567 63.200 0.113 0.000 1.110 355 S HN 0.603 nan 8.310 nan 0.000 0.463 356 R N 2.160 122.698 120.500 0.062 0.000 2.235 356 R HA 0.231 4.575 4.340 0.007 0.000 0.213 356 R C 1.285 177.594 176.300 0.014 0.000 1.059 356 R CA 0.921 57.042 56.100 0.035 0.000 0.997 356 R CB -0.160 30.159 30.300 0.031 0.000 0.884 356 R HN 0.589 nan 8.270 nan 0.000 0.462 357 L N 0.214 121.448 121.223 0.018 0.000 2.567 357 L HA 0.065 4.410 4.340 0.007 0.000 0.225 357 L C 0.482 177.328 176.870 -0.039 0.000 1.119 357 L CA -0.202 54.630 54.840 -0.013 0.000 0.871 357 L CB 0.166 42.220 42.059 -0.008 0.000 1.036 357 L HN 0.117 nan 8.230 nan 0.000 0.459 358 L N 1.187 122.408 121.223 -0.003 0.000 2.511 358 L HA 0.184 4.529 4.340 0.007 0.000 0.239 358 L C -0.489 176.372 176.870 -0.015 0.000 1.400 358 L CA 0.506 55.366 54.840 0.033 0.000 1.226 358 L CB -0.870 41.259 42.059 0.115 0.000 1.475 358 L HN -0.001 nan 8.230 nan 0.000 0.428 359 D N 0.396 120.725 120.400 -0.120 0.000 2.619 359 D HA 0.490 5.135 4.640 0.007 0.000 0.241 359 D C 0.829 176.977 176.300 -0.255 0.000 1.087 359 D CA 0.018 53.846 54.000 -0.286 0.000 0.851 359 D CB 2.195 42.880 40.800 -0.191 0.000 1.474 359 D HN 0.159 nan 8.370 nan 0.000 0.478 360 A N 2.394 124.978 122.820 -0.392 0.000 2.225 360 A HA 0.156 4.480 4.320 0.007 0.000 0.215 360 A C 1.654 179.192 177.584 -0.077 0.000 1.164 360 A CA 1.716 53.662 52.037 -0.152 0.000 0.710 360 A CB -0.505 18.418 19.000 -0.128 0.000 0.780 360 A HN 0.534 nan 8.150 nan 0.000 0.473 361 A N -1.116 121.644 122.820 -0.101 0.000 1.997 361 A HA 0.279 4.603 4.320 0.007 0.000 0.212 361 A C 1.946 179.503 177.584 -0.044 0.000 1.178 361 A CA 1.255 53.257 52.037 -0.060 0.000 0.698 361 A CB -0.138 18.825 19.000 -0.063 0.000 0.842 361 A HN 0.332 nan 8.150 nan 0.000 0.458 362 V N -0.175 119.703 119.914 -0.059 0.000 2.575 362 V HA -0.060 4.064 4.120 0.007 0.000 0.242 362 V C 2.120 178.183 176.094 -0.052 0.000 1.045 362 V CA 1.613 63.883 62.300 -0.049 0.000 1.065 362 V CB 0.106 31.896 31.823 -0.055 0.000 0.717 362 V HN 0.481 nan 8.190 nan 0.000 0.467 363 V N -1.682 118.185 119.914 -0.079 0.000 3.621 363 V HA 0.741 4.866 4.120 0.007 0.000 0.285 363 V C 0.839 176.951 176.094 0.030 0.000 1.346 363 V CA -0.000 62.237 62.300 -0.105 0.000 1.104 363 V CB -0.781 30.801 31.823 -0.402 0.000 0.913 363 V HN 0.768 nan 8.190 nan 0.000 0.432 364 G N 0.896 109.717 108.800 0.036 0.000 2.705 364 G HA2 -0.222 3.742 3.960 0.007 0.000 0.686 364 G HA3 -0.222 3.742 3.960 0.007 0.000 0.686 364 G C -0.030 174.944 174.900 0.123 0.000 1.285 364 G CA 0.304 45.449 45.100 0.075 0.000 0.800 364 G HN 0.513 nan 8.290 nan 0.000 0.611 365 Q N -0.028 119.837 119.800 0.109 0.000 2.135 365 Q HA -0.087 4.257 4.340 0.007 0.000 0.204 365 Q C 2.328 178.438 176.000 0.183 0.000 0.981 365 Q CA 2.817 58.709 55.803 0.149 0.000 0.856 365 Q CB -0.183 28.618 28.738 0.105 0.000 0.902 365 Q HN 0.804 nan 8.270 nan 0.000 0.425 366 E N -1.347 118.940 120.200 0.145 0.000 2.047 366 E HA -0.256 4.098 4.350 0.007 0.000 0.191 366 E C 1.868 178.560 176.600 0.154 0.000 0.987 366 E CA 1.088 57.562 56.400 0.124 0.000 0.799 366 E CB -0.241 29.513 29.700 0.091 0.000 0.752 366 E HN 0.685 nan 8.360 nan 0.000 0.449 367 H N -1.307 117.815 119.070 0.087 0.000 2.352 367 H HA -0.221 4.340 4.556 0.008 0.000 0.299 367 H C 2.067 177.455 175.328 0.101 0.000 1.097 367 H CA 1.974 58.069 56.048 0.079 0.000 1.311 367 H CB -0.115 29.691 29.762 0.074 0.000 1.377 367 H HN 0.247 nan 8.280 nan 0.000 0.504 368 Y N 1.408 121.832 120.300 0.207 0.000 2.200 368 Y HA -0.201 4.354 4.550 0.009 0.000 0.290 368 Y C 1.914 177.868 175.900 0.090 0.000 1.137 368 Y CA 1.774 59.946 58.100 0.119 0.000 1.163 368 Y CB -0.362 38.134 38.460 0.061 0.000 0.988 368 Y HN 0.305 nan 8.280 nan 0.000 0.518 369 D N -0.532 119.881 120.400 0.021 0.000 2.117 369 D HA -0.174 4.470 4.640 0.007 0.000 0.197 369 D C 2.427 178.678 176.300 -0.081 0.000 0.987 369 D CA 1.676 55.629 54.000 -0.078 0.000 0.829 369 D CB -0.430 40.387 40.800 0.029 0.000 0.961 369 D HN 0.316 nan 8.370 nan 0.000 0.460 370 V N 1.452 121.354 119.914 -0.019 0.000 2.270 370 V HA -0.220 3.905 4.120 0.007 0.000 0.245 370 V C 2.569 178.635 176.094 -0.047 0.000 1.043 370 V CA 1.825 64.114 62.300 -0.018 0.000 1.014 370 V CB -0.887 30.926 31.823 -0.016 0.000 0.645 370 V HN 0.179 nan 8.190 nan 0.000 0.447 371 A N -0.292 122.503 122.820 -0.041 0.000 1.917 371 A HA -0.254 4.070 4.320 0.007 0.000 0.219 371 A C 2.476 180.001 177.584 -0.097 0.000 1.182 371 A CA 2.533 54.542 52.037 -0.046 0.000 0.633 371 A CB -0.786 18.254 19.000 0.067 0.000 0.819 371 A HN 0.524 nan 8.150 nan 0.000 0.448 372 S N -0.361 115.217 115.700 -0.204 0.000 2.356 372 S HA -0.130 4.344 4.470 0.007 0.000 0.223 372 S C 1.857 176.383 174.600 -0.124 0.000 1.032 372 S CA 1.518 59.574 58.200 -0.241 0.000 1.005 372 S CB -0.244 62.673 63.200 -0.472 0.000 0.867 372 S HN 0.624 nan 8.310 nan 0.000 0.449 373 K N 0.674 121.016 120.400 -0.096 0.000 2.442 373 K HA 0.045 4.369 4.320 0.007 0.000 0.198 373 K C 1.693 178.287 176.600 -0.011 0.000 1.042 373 K CA 0.466 56.729 56.287 -0.041 0.000 0.958 373 K CB -0.096 32.391 32.500 -0.021 0.000 0.766 373 K HN 0.177 nan 8.250 nan 0.000 0.474 374 V N 1.092 120.997 119.914 -0.015 0.000 2.446 374 V HA -0.181 3.944 4.120 0.007 0.000 0.244 374 V C 2.041 178.139 176.094 0.006 0.000 1.039 374 V CA 1.400 63.707 62.300 0.011 0.000 1.045 374 V CB -0.136 31.678 31.823 -0.015 0.000 0.681 374 V HN 0.305 nan 8.190 nan 0.000 0.459 375 Q N -0.204 119.587 119.800 -0.014 0.000 2.016 375 Q HA -0.214 4.130 4.340 0.007 0.000 0.200 375 Q C 2.249 178.252 176.000 0.005 0.000 0.978 375 Q CA 1.741 57.542 55.803 -0.003 0.000 0.833 375 Q CB -0.190 28.539 28.738 -0.015 0.000 0.895 375 Q HN 0.645 nan 8.270 nan 0.000 0.427 376 E N -0.105 120.091 120.200 -0.008 0.000 2.147 376 E HA -0.204 4.151 4.350 0.007 0.000 0.199 376 E C 1.924 178.535 176.600 0.017 0.000 1.005 376 E CA 1.679 58.078 56.400 -0.000 0.000 0.810 376 E CB -0.017 29.677 29.700 -0.011 0.000 0.736 376 E HN 0.343 nan 8.360 nan 0.000 0.460 377 T N 1.001 115.568 114.554 0.022 0.000 2.851 377 T HA -0.019 4.335 4.350 0.007 0.000 0.262 377 T C 1.927 176.667 174.700 0.066 0.000 1.043 377 T CA 0.486 62.607 62.100 0.035 0.000 1.140 377 T CB -0.055 68.827 68.868 0.023 0.000 0.872 377 T HN 0.081 nan 8.240 nan 0.000 0.446 378 L N 0.858 122.122 121.223 0.068 0.000 2.201 378 L HA -0.077 4.267 4.340 0.007 0.000 0.212 378 L C 2.761 179.694 176.870 0.105 0.000 1.105 378 L CA 0.994 55.900 54.840 0.109 0.000 0.775 378 L CB -0.343 41.766 42.059 0.084 0.000 0.913 378 L HN 0.226 nan 8.230 nan 0.000 0.440 379 Q N -0.390 119.447 119.800 0.062 0.000 2.187 379 Q HA -0.120 4.224 4.340 0.007 0.000 0.199 379 Q C 2.024 178.048 176.000 0.041 0.000 0.957 379 Q CA 1.752 57.578 55.803 0.038 0.000 0.857 379 Q CB -0.026 28.724 28.738 0.020 0.000 0.929 379 Q HN 0.356 nan 8.270 nan 0.000 0.453 380 T N -0.425 114.166 114.554 0.063 0.000 2.821 380 T HA -0.148 4.206 4.350 0.007 0.000 0.267 380 T C 1.188 175.952 174.700 0.106 0.000 1.046 380 T CA 1.312 63.452 62.100 0.066 0.000 1.139 380 T CB -0.487 68.420 68.868 0.065 0.000 0.871 380 T HN 0.388 nan 8.240 nan 0.000 0.454 381 Y N 1.884 122.183 120.300 -0.001 0.000 2.373 381 Y HA 0.156 4.712 4.550 0.010 0.000 0.293 381 Y C 2.282 178.182 175.900 -0.001 0.000 1.129 381 Y CA 0.673 58.773 58.100 -0.001 0.000 1.226 381 Y CB -0.149 38.311 38.460 0.000 0.000 1.000 381 Y HN 0.026 nan 8.280 nan 0.000 0.549 382 K N -0.948 119.404 120.400 -0.080 0.000 2.062 382 K HA -0.120 4.205 4.320 0.007 0.000 0.205 382 K C 2.290 178.813 176.600 -0.127 0.000 1.051 382 K CA 1.241 57.436 56.287 -0.153 0.000 0.941 382 K CB -0.384 32.084 32.500 -0.053 0.000 0.719 382 K HN 0.186 nan 8.250 nan 0.000 0.440 383 S N 0.167 115.828 115.700 -0.064 0.000 2.603 383 S HA 0.052 4.527 4.470 0.007 0.000 0.229 383 S C 1.147 175.716 174.600 -0.053 0.000 0.972 383 S CA 0.360 58.531 58.200 -0.047 0.000 0.935 383 S CB 0.003 63.191 63.200 -0.019 0.000 0.769 383 S HN 0.327 nan 8.310 nan 0.000 0.536 384 L N 0.188 121.361 121.223 -0.083 0.000 3.086 384 L HA 0.281 4.625 4.340 0.007 0.000 0.274 384 L C 1.899 178.694 176.870 -0.126 0.000 1.184 384 L CA -0.194 54.606 54.840 -0.068 0.000 1.002 384 L CB 0.033 42.086 42.059 -0.009 0.000 1.383 384 L HN 0.085 nan 8.230 nan 0.000 0.582 385 Q N 0.788 120.458 119.800 -0.216 0.000 2.173 385 Q HA -0.232 4.112 4.340 0.007 0.000 0.208 385 Q C 1.087 177.013 176.000 -0.125 0.000 0.989 385 Q CA 1.798 57.453 55.803 -0.245 0.000 0.872 385 Q CB -0.001 28.589 28.738 -0.246 0.000 0.909 385 Q HN 0.543 nan 8.270 nan 0.000 0.420 386 D N 0.045 120.392 120.400 -0.087 0.000 2.091 386 D HA -0.085 4.559 4.640 0.007 0.000 0.199 386 D C 2.112 178.390 176.300 -0.036 0.000 0.980 386 D CA 0.579 54.547 54.000 -0.053 0.000 0.831 386 D CB -0.250 40.525 40.800 -0.042 0.000 0.987 386 D HN 0.148 nan 8.370 nan 0.000 0.460 387 I N 1.669 122.220 120.570 -0.032 0.000 2.145 387 I HA -0.267 3.908 4.170 0.007 0.000 0.244 387 I C 2.366 178.479 176.117 -0.006 0.000 1.075 387 I CA 0.922 62.213 61.300 -0.015 0.000 1.332 387 I CB -0.382 37.613 38.000 -0.008 0.000 1.033 387 I HN 0.043 nan 8.210 nan 0.000 0.410 388 I N 0.419 120.985 120.570 -0.007 0.000 2.202 388 I HA -0.234 3.940 4.170 0.007 0.000 0.242 388 I C 2.643 178.764 176.117 0.007 0.000 1.091 388 I CA 1.648 62.957 61.300 0.013 0.000 1.368 388 I CB -1.766 36.256 38.000 0.037 0.000 1.058 388 I HN 0.212 nan 8.210 nan 0.000 0.410 389 A N 0.410 123.223 122.820 -0.011 0.000 2.070 389 A HA -0.112 4.213 4.320 0.007 0.000 0.220 389 A C 2.303 179.885 177.584 -0.004 0.000 1.159 389 A CA 1.398 53.430 52.037 -0.009 0.000 0.656 389 A CB -0.367 18.619 19.000 -0.023 0.000 0.800 389 A HN 0.441 nan 8.150 nan 0.000 0.453 390 I N -1.995 118.572 120.570 -0.004 0.000 3.345 390 I HA 0.035 4.209 4.170 0.007 0.000 0.258 390 I C 2.136 178.254 176.117 0.002 0.000 1.134 390 I CA 0.251 61.550 61.300 -0.002 0.000 1.457 390 I CB -0.239 37.758 38.000 -0.005 0.000 1.425 390 I HN 0.176 nan 8.210 nan 0.000 0.461 391 L N 0.591 121.816 121.223 0.003 0.000 2.049 391 L HA 0.253 4.598 4.340 0.007 0.000 0.203 391 L C 0.986 177.862 176.870 0.010 0.000 1.074 391 L CA 0.864 55.708 54.840 0.006 0.000 0.749 391 L CB -0.643 41.419 42.059 0.005 0.000 0.907 391 L HN 0.471 nan 8.230 nan 0.000 0.439 392 G N -1.679 107.130 108.800 0.014 0.000 2.459 392 G HA2 -0.158 3.807 3.960 0.007 0.000 0.685 392 G HA3 -0.158 3.807 3.960 0.007 0.000 0.685 392 G C -0.055 174.860 174.900 0.026 0.000 1.303 392 G CA -0.269 44.844 45.100 0.021 0.000 0.907 392 G HN -0.008 nan 8.290 nan 0.000 0.632 393 M N 0.214 119.835 119.600 0.034 0.000 2.267 393 M HA -0.064 4.420 4.480 0.007 0.000 0.263 393 M C 1.946 178.261 176.300 0.025 0.000 1.063 393 M CA 1.815 57.137 55.300 0.037 0.000 1.090 393 M CB -0.371 32.252 32.600 0.040 0.000 1.392 393 M HN 0.613 nan 8.290 nan 0.000 0.422 394 D N 0.574 120.986 120.400 0.020 0.000 2.133 394 D HA -0.166 4.478 4.640 0.007 0.000 0.195 394 D C 1.781 178.089 176.300 0.013 0.000 0.997 394 D CA 1.234 55.242 54.000 0.015 0.000 0.840 394 D CB -0.291 40.516 40.800 0.012 0.000 0.947 394 D HN 0.335 nan 8.370 nan 0.000 0.452 395 E N 0.023 120.231 120.200 0.014 0.000 2.478 395 E HA 0.046 4.401 4.350 0.007 0.000 0.198 395 E C 0.613 177.221 176.600 0.013 0.000 1.046 395 E CA -0.015 56.392 56.400 0.011 0.000 0.870 395 E CB 0.143 29.849 29.700 0.010 0.000 0.818 395 E HN 0.358 nan 8.360 nan 0.000 0.527 396 L N 1.749 122.982 121.223 0.017 0.000 2.312 396 L HA 0.119 4.463 4.340 0.007 0.000 0.281 396 L C 0.785 177.665 176.870 0.016 0.000 1.070 396 L CA -0.525 54.327 54.840 0.019 0.000 0.805 396 L CB 1.269 43.345 42.059 0.028 0.000 1.174 396 L HN -0.033 nan 8.230 nan 0.000 0.434 397 S N 1.573 117.281 115.700 0.014 0.000 2.580 397 S HA 0.025 4.499 4.470 0.007 0.000 0.266 397 S C 0.948 175.555 174.600 0.012 0.000 1.354 397 S CA -0.618 57.588 58.200 0.011 0.000 1.008 397 S CB 0.940 64.146 63.200 0.010 0.000 0.898 397 S HN 0.589 nan 8.310 nan 0.000 0.555 398 E N 0.605 120.810 120.200 0.009 0.000 2.118 398 E HA -0.211 4.144 4.350 0.007 0.000 0.195 398 E C 2.045 178.650 176.600 0.007 0.000 0.992 398 E CA 1.549 57.953 56.400 0.007 0.000 0.804 398 E CB -0.497 29.206 29.700 0.005 0.000 0.741 398 E HN 0.842 nan 8.360 nan 0.000 0.458 399 Q N 1.263 121.068 119.800 0.008 0.000 2.029 399 Q HA -0.192 4.152 4.340 0.007 0.000 0.209 399 Q C 1.584 177.591 176.000 0.012 0.000 0.999 399 Q CA 2.270 58.078 55.803 0.009 0.000 0.857 399 Q CB -0.108 28.635 28.738 0.009 0.000 0.926 399 Q HN 0.197 nan 8.270 nan 0.000 0.415 400 D N -0.506 119.904 120.400 0.016 0.000 2.117 400 D HA -0.133 4.512 4.640 0.007 0.000 0.198 400 D C 1.732 178.046 176.300 0.024 0.000 0.982 400 D CA 1.135 55.150 54.000 0.025 0.000 0.828 400 D CB -0.274 40.544 40.800 0.030 0.000 0.967 400 D HN 0.143 nan 8.370 nan 0.000 0.464 401 K N 0.761 121.172 120.400 0.018 0.000 2.059 401 K HA -0.167 4.157 4.320 0.007 0.000 0.212 401 K C 1.993 178.594 176.600 0.001 0.000 1.050 401 K CA 0.718 57.013 56.287 0.013 0.000 0.927 401 K CB -0.586 31.920 32.500 0.010 0.000 0.714 401 K HN 0.054 nan 8.250 nan 0.000 0.447 402 L N 0.326 121.548 121.223 -0.002 0.000 1.988 402 L HA -0.143 4.202 4.340 0.007 0.000 0.207 402 L C 2.210 179.067 176.870 -0.021 0.000 1.071 402 L CA 2.565 57.399 54.840 -0.011 0.000 0.744 402 L CB -1.272 40.784 42.059 -0.006 0.000 0.893 402 L HN 0.535 nan 8.230 nan 0.000 0.433 403 T N -3.302 111.247 114.554 -0.009 0.000 2.665 403 T HA -0.235 4.119 4.350 0.007 0.000 0.268 403 T C 1.879 176.560 174.700 -0.032 0.000 1.035 403 T CA 1.871 63.965 62.100 -0.010 0.000 1.151 403 T CB -1.390 67.486 68.868 0.012 0.000 0.862 403 T HN 0.159 nan 8.240 nan 0.000 0.438 404 V N 2.212 122.118 119.914 -0.014 0.000 2.255 404 V HA -0.207 3.917 4.120 0.007 0.000 0.247 404 V C 2.899 178.876 176.094 -0.195 0.000 1.051 404 V CA 2.226 64.497 62.300 -0.049 0.000 1.018 404 V CB -0.785 31.075 31.823 0.062 0.000 0.641 404 V HN 0.578 nan 8.190 nan 0.000 0.445 405 E N -0.320 119.809 120.200 -0.118 0.000 2.118 405 E HA -0.243 4.112 4.350 0.007 0.000 0.195 405 E C 2.464 178.962 176.600 -0.170 0.000 0.992 405 E CA 1.222 57.543 56.400 -0.132 0.000 0.804 405 E CB -0.180 29.480 29.700 -0.067 0.000 0.741 405 E HN 0.551 nan 8.360 nan 0.000 0.458 406 R N 0.192 120.606 120.500 -0.144 0.000 2.090 406 R HA -0.024 4.320 4.340 0.007 0.000 0.228 406 R C 2.365 178.546 176.300 -0.198 0.000 1.110 406 R CA 0.917 56.924 56.100 -0.154 0.000 0.973 406 R CB -0.176 30.070 30.300 -0.089 0.000 0.869 406 R HN 0.075 nan 8.270 nan 0.000 0.440 407 A N 1.276 123.970 122.820 -0.210 0.000 1.902 407 A HA -0.149 4.175 4.320 0.007 0.000 0.217 407 A C 2.008 179.392 177.584 -0.332 0.000 1.181 407 A CA 1.070 52.972 52.037 -0.225 0.000 0.623 407 A CB -0.349 18.524 19.000 -0.211 0.000 0.818 407 A HN 0.190 nan 8.150 nan 0.000 0.443 408 R N -0.345 119.859 120.500 -0.495 0.000 2.159 408 R HA -0.126 4.218 4.340 0.007 0.000 0.237 408 R C 1.860 178.010 176.300 -0.251 0.000 1.131 408 R CA 1.614 57.472 56.100 -0.403 0.000 0.982 408 R CB -0.183 29.903 30.300 -0.357 0.000 0.868 408 R HN 0.547 nan 8.270 nan 0.000 0.453 409 K N -0.254 119.950 120.400 -0.327 0.000 2.211 409 K HA 0.069 4.393 4.320 0.007 0.000 0.201 409 K C 1.945 178.263 176.600 -0.470 0.000 1.052 409 K CA 0.398 56.350 56.287 -0.559 0.000 0.973 409 K CB 0.208 32.194 32.500 -0.858 0.000 0.766 409 K HN 0.017 nan 8.250 nan 0.000 0.466 410 I N 1.853 122.282 120.570 -0.236 0.000 2.179 410 I HA -0.262 3.912 4.170 0.007 0.000 0.242 410 I C 2.559 178.772 176.117 0.160 0.000 1.088 410 I CA 1.612 62.929 61.300 0.029 0.000 1.357 410 I CB -0.916 37.144 38.000 0.099 0.000 1.051 410 I HN 0.323 nan 8.210 nan 0.000 0.409 411 Q N 0.962 120.803 119.800 0.069 0.000 2.124 411 Q HA -0.173 4.171 4.340 0.007 0.000 0.202 411 Q C 2.274 178.358 176.000 0.141 0.000 0.977 411 Q CA 1.423 57.292 55.803 0.110 0.000 0.850 411 Q CB 0.100 28.894 28.738 0.093 0.000 0.901 411 Q HN 0.438 nan 8.270 nan 0.000 0.429 412 R N -0.946 119.630 120.500 0.126 0.000 2.193 412 R HA -0.042 4.302 4.340 0.007 0.000 0.213 412 R C 1.747 178.230 176.300 0.305 0.000 1.055 412 R CA 0.588 56.816 56.100 0.214 0.000 0.995 412 R CB -0.037 30.377 30.300 0.189 0.000 0.893 412 R HN 0.219 nan 8.270 nan 0.000 0.459 413 F N 0.988 120.989 119.950 0.085 0.000 2.664 413 F HA 0.141 4.675 4.527 0.011 0.000 0.296 413 F C 1.473 177.402 175.800 0.214 0.000 1.125 413 F CA 0.376 58.441 58.000 0.108 0.000 1.444 413 F CB 0.079 39.027 39.000 -0.087 0.000 1.114 413 F HN -0.140 nan 8.300 nan 0.000 0.576 414 L N -0.535 120.822 121.223 0.222 0.000 2.376 414 L HA -0.058 4.286 4.340 0.007 0.000 0.219 414 L C 1.378 178.253 176.870 0.009 0.000 1.133 414 L CA 0.453 55.369 54.840 0.127 0.000 0.816 414 L CB -0.625 41.508 42.059 0.123 0.000 0.933 414 L HN 0.026 nan 8.230 nan 0.000 0.449 415 S N 0.457 116.172 115.700 0.025 0.000 2.549 415 S HA 0.121 4.595 4.470 0.007 0.000 0.283 415 S C -0.267 174.232 174.600 -0.169 0.000 1.320 415 S CA -0.232 57.945 58.200 -0.038 0.000 1.058 415 S CB 0.525 63.731 63.200 0.010 0.000 0.882 415 S HN 0.325 nan 8.310 nan 0.000 0.498 416 Q N 4.707 124.346 119.800 -0.269 0.000 2.280 416 Q HA 0.417 4.761 4.340 0.007 0.000 0.259 416 Q C -2.969 172.670 176.000 -0.602 0.000 0.964 416 Q CA -1.989 53.588 55.803 -0.377 0.000 0.844 416 Q CB 1.796 30.332 28.738 -0.337 0.000 1.334 416 Q HN 0.380 nan 8.270 nan 0.000 0.423 417 P HA 0.149 nan 4.420 nan 0.000 0.269 417 P C -1.198 175.835 177.300 -0.445 0.000 1.209 417 P CA 0.176 63.026 63.100 -0.416 0.000 0.776 417 P CB 0.284 31.829 31.700 -0.257 0.000 0.876 418 F N 0.274 120.154 119.950 -0.117 0.000 2.492 418 F HA 0.493 5.026 4.527 0.010 0.000 0.327 418 F C 1.446 177.165 175.800 -0.135 0.000 1.079 418 F CA -0.881 57.047 58.000 -0.120 0.000 0.967 418 F CB 0.713 39.649 39.000 -0.106 0.000 1.169 418 F HN 0.307 nan 8.300 nan 0.000 0.472 419 A N 1.850 124.736 122.820 0.109 0.000 1.908 419 A HA -0.090 4.234 4.320 0.007 0.000 0.218 419 A C 1.961 179.528 177.584 -0.029 0.000 1.181 419 A CA 2.160 54.200 52.037 0.005 0.000 0.627 419 A CB -0.929 18.067 19.000 -0.006 0.000 0.818 419 A HN 0.568 nan 8.150 nan 0.000 0.445 420 V N -0.429 119.471 119.914 -0.024 0.000 2.548 420 V HA -0.131 3.994 4.120 0.007 0.000 0.249 420 V C 2.835 178.878 176.094 -0.085 0.000 1.055 420 V CA 1.584 63.858 62.300 -0.044 0.000 1.065 420 V CB -1.085 30.712 31.823 -0.043 0.000 0.681 420 V HN 0.585 nan 8.190 nan 0.000 0.462 421 A N -0.336 122.412 122.820 -0.121 0.000 2.119 421 A HA -0.145 4.180 4.320 0.007 0.000 0.217 421 A C 2.156 179.356 177.584 -0.639 0.000 1.153 421 A CA 1.158 52.938 52.037 -0.429 0.000 0.692 421 A CB -0.469 18.375 19.000 -0.259 0.000 0.799 421 A HN 0.590 nan 8.150 nan 0.000 0.458 422 E N 0.129 120.137 120.200 -0.319 0.000 2.396 422 E HA -0.117 4.237 4.350 0.007 0.000 0.200 422 E C 1.318 177.778 176.600 -0.233 0.000 1.023 422 E CA 1.033 57.281 56.400 -0.255 0.000 0.857 422 E CB -0.144 29.472 29.700 -0.140 0.000 0.775 422 E HN 0.420 nan 8.360 nan 0.000 0.525 423 V N 0.379 120.150 119.914 -0.237 0.000 2.626 423 V HA -0.185 3.939 4.120 0.007 0.000 0.252 423 V C 1.605 177.712 176.094 0.021 0.000 1.067 423 V CA 1.778 64.038 62.300 -0.066 0.000 1.081 423 V CB -0.571 31.280 31.823 0.048 0.000 0.686 423 V HN 0.485 nan 8.190 nan 0.000 0.468 424 F N -2.673 117.270 119.950 -0.013 0.000 2.831 424 F HA 0.334 4.866 4.527 0.007 0.000 0.334 424 F C 1.695 177.475 175.800 -0.034 0.000 1.071 424 F CA 0.280 58.270 58.000 -0.016 0.000 1.172 424 F CB -0.772 38.223 39.000 -0.007 0.000 1.054 424 F HN -0.157 nan 8.300 nan 0.000 0.572 425 T N 0.074 114.379 114.554 -0.415 0.000 2.809 425 T HA 0.294 4.648 4.350 0.007 0.000 0.260 425 T C 2.049 176.673 174.700 -0.127 0.000 1.039 425 T CA 1.776 63.715 62.100 -0.268 0.000 1.141 425 T CB -0.762 67.861 68.868 -0.409 0.000 0.869 425 T HN 0.665 nan 8.240 nan 0.000 0.437 426 G N 0.626 109.347 108.800 -0.132 0.000 2.234 426 G HA2 -0.175 3.790 3.960 0.007 0.000 0.235 426 G HA3 -0.175 3.790 3.960 0.007 0.000 0.235 426 G C 0.067 174.921 174.900 -0.078 0.000 0.997 426 G CA -0.332 44.725 45.100 -0.072 0.000 0.623 426 G HN 0.444 nan 8.290 nan 0.000 0.514 427 I N 2.295 122.797 120.570 -0.112 0.000 2.359 427 I HA 0.378 4.553 4.170 0.007 0.000 0.294 427 I C -2.110 173.936 176.117 -0.119 0.000 0.987 427 I CA -3.055 58.180 61.300 -0.108 0.000 1.225 427 I CB 1.056 38.978 38.000 -0.130 0.000 1.366 427 I HN -0.156 nan 8.210 nan 0.000 0.466 428 P HA 0.073 nan 4.420 nan 0.000 0.264 428 P C 0.249 177.493 177.300 -0.093 0.000 1.193 428 P CA -0.083 62.968 63.100 -0.081 0.000 0.763 428 P CB 0.461 32.124 31.700 -0.061 0.000 0.810 429 G N 3.462 112.214 108.800 -0.080 0.000 2.349 429 G HA2 0.231 4.196 3.960 0.007 0.000 0.281 429 G HA3 0.231 4.196 3.960 0.007 0.000 0.281 429 G C -0.463 174.404 174.900 -0.056 0.000 1.182 429 G CA -0.488 44.568 45.100 -0.072 0.000 0.899 429 G HN 0.327 nan 8.290 nan 0.000 0.455 430 K N 2.460 122.814 120.400 -0.077 0.000 2.235 430 K HA 0.334 4.658 4.320 0.007 0.000 0.266 430 K C -0.645 175.928 176.600 -0.045 0.000 0.980 430 K CA -0.633 55.620 56.287 -0.057 0.000 0.849 430 K CB 2.543 35.005 32.500 -0.064 0.000 1.098 430 K HN 0.421 nan 8.250 nan 0.000 0.445 431 L N 3.802 125.014 121.223 -0.019 0.000 2.289 431 L HA 0.373 4.717 4.340 0.007 0.000 0.285 431 L C -1.040 175.825 176.870 -0.010 0.000 1.049 431 L CA -0.770 54.067 54.840 -0.005 0.000 0.804 431 L CB 1.041 43.104 42.059 0.007 0.000 1.195 431 L HN 0.297 nan 8.230 nan 0.000 0.428 432 V N 5.520 125.427 119.914 -0.011 0.000 2.495 432 V HA 0.508 4.632 4.120 0.007 0.000 0.298 432 V C 0.158 176.254 176.094 0.004 0.000 1.031 432 V CA -0.747 61.549 62.300 -0.006 0.000 0.871 432 V CB 1.692 33.504 31.823 -0.019 0.000 0.988 432 V HN 0.789 nan 8.190 nan 0.000 0.432 433 R N 2.262 122.770 120.500 0.013 0.000 2.577 433 R HA 0.384 4.729 4.340 0.007 0.000 0.269 433 R C 1.256 177.571 176.300 0.025 0.000 1.084 433 R CA -0.636 55.475 56.100 0.019 0.000 1.163 433 R CB 0.921 31.234 30.300 0.021 0.000 1.100 433 R HN 0.681 nan 8.270 nan 0.000 0.547 434 L N 1.676 122.919 121.223 0.033 0.000 2.012 434 L HA -0.237 4.108 4.340 0.007 0.000 0.210 434 L C 1.990 178.882 176.870 0.037 0.000 1.073 434 L CA 1.708 56.575 54.840 0.045 0.000 0.748 434 L CB -0.080 42.027 42.059 0.080 0.000 0.891 434 L HN 0.494 nan 8.230 nan 0.000 0.431 435 K N -0.191 120.235 120.400 0.042 0.000 2.032 435 K HA -0.260 4.064 4.320 0.007 0.000 0.209 435 K C 1.852 178.475 176.600 0.038 0.000 1.048 435 K CA 1.989 58.300 56.287 0.039 0.000 0.927 435 K CB -0.715 31.809 32.500 0.040 0.000 0.712 435 K HN 0.392 nan 8.250 nan 0.000 0.441 436 D N 0.186 120.613 120.400 0.045 0.000 2.117 436 D HA -0.108 4.536 4.640 0.007 0.000 0.197 436 D C 1.518 177.874 176.300 0.093 0.000 0.987 436 D CA 1.559 55.596 54.000 0.061 0.000 0.829 436 D CB -0.003 40.831 40.800 0.056 0.000 0.961 436 D HN 0.156 nan 8.370 nan 0.000 0.460 437 T N -0.431 114.173 114.554 0.084 0.000 2.635 437 T HA -0.166 4.188 4.350 0.007 0.000 0.267 437 T C 2.131 176.928 174.700 0.162 0.000 1.040 437 T CA 1.663 63.846 62.100 0.138 0.000 1.156 437 T CB -0.604 68.280 68.868 0.026 0.000 0.863 437 T HN -0.007 nan 8.240 nan 0.000 0.430 438 V N 1.814 121.725 119.914 -0.004 0.000 2.261 438 V HA -0.188 3.937 4.120 0.007 0.000 0.246 438 V C 2.934 179.060 176.094 0.054 0.000 1.047 438 V CA 1.792 64.047 62.300 -0.076 0.000 1.015 438 V CB -1.341 30.356 31.823 -0.210 0.000 0.642 438 V HN 0.566 nan 8.190 nan 0.000 0.446 439 A N -0.314 122.545 122.820 0.065 0.000 1.902 439 A HA -0.205 4.119 4.320 0.007 0.000 0.217 439 A C 2.473 180.125 177.584 0.114 0.000 1.181 439 A CA 2.268 54.353 52.037 0.081 0.000 0.623 439 A CB -0.725 18.315 19.000 0.067 0.000 0.818 439 A HN 0.519 nan 8.150 nan 0.000 0.443 440 S N -0.585 115.202 115.700 0.145 0.000 2.354 440 S HA -0.143 4.331 4.470 0.007 0.000 0.219 440 S C 1.608 176.266 174.600 0.096 0.000 1.035 440 S CA 1.653 59.921 58.200 0.113 0.000 1.037 440 S CB -0.650 62.669 63.200 0.198 0.000 0.956 440 S HN 0.526 nan 8.310 nan 0.000 0.428 441 F N 1.991 122.018 119.950 0.128 0.000 2.250 441 F HA -0.073 4.461 4.527 0.010 0.000 0.301 441 F C 2.305 178.135 175.800 0.049 0.000 1.077 441 F CA 1.165 59.230 58.000 0.108 0.000 1.348 441 F CB -0.259 38.789 39.000 0.081 0.000 1.040 441 F HN 0.145 nan 8.300 nan 0.000 0.509 442 K N 0.480 121.000 120.400 0.200 0.000 2.057 442 K HA -0.145 4.179 4.320 0.007 0.000 0.206 442 K C 2.288 178.951 176.600 0.106 0.000 1.050 442 K CA 1.136 57.496 56.287 0.122 0.000 0.935 442 K CB -0.260 32.294 32.500 0.090 0.000 0.715 442 K HN 0.192 nan 8.250 nan 0.000 0.439 443 A N 0.760 123.650 122.820 0.117 0.000 1.877 443 A HA -0.113 4.211 4.320 0.007 0.000 0.216 443 A C 2.208 179.906 177.584 0.189 0.000 1.186 443 A CA 1.728 53.865 52.037 0.168 0.000 0.620 443 A CB -0.679 18.487 19.000 0.276 0.000 0.822 443 A HN 0.175 nan 8.150 nan 0.000 0.443 444 V N 0.016 119.994 119.914 0.108 0.000 2.407 444 V HA -0.256 3.869 4.120 0.007 0.000 0.248 444 V C 2.518 178.641 176.094 0.047 0.000 1.055 444 V CA 1.858 64.197 62.300 0.064 0.000 1.049 444 V CB -0.842 30.896 31.823 -0.141 0.000 0.662 444 V HN 0.544 nan 8.190 nan 0.000 0.455 445 L N -0.286 120.970 121.223 0.054 0.000 2.056 445 L HA -0.174 4.170 4.340 0.007 0.000 0.207 445 L C 2.577 179.470 176.870 0.038 0.000 1.078 445 L CA 1.664 56.530 54.840 0.043 0.000 0.749 445 L CB -0.531 41.562 42.059 0.056 0.000 0.901 445 L HN 0.354 nan 8.230 nan 0.000 0.433 446 E N -0.380 119.850 120.200 0.050 0.000 2.268 446 E HA -0.081 4.273 4.350 0.007 0.000 0.195 446 E C 1.232 177.847 176.600 0.026 0.000 0.995 446 E CA 0.665 57.087 56.400 0.036 0.000 0.836 446 E CB 0.016 29.740 29.700 0.040 0.000 0.763 446 E HN 0.584 nan 8.360 nan 0.000 0.491 447 G N 1.010 109.833 108.800 0.038 0.000 2.141 447 G HA2 -0.174 3.790 3.960 0.007 0.000 0.164 447 G HA3 -0.174 3.790 3.960 0.007 0.000 0.164 447 G C 0.727 175.627 174.900 -0.000 0.000 1.009 447 G CA -0.050 45.063 45.100 0.022 0.000 0.677 447 G HN -0.027 nan 8.290 nan 0.000 0.508 448 K N -0.468 119.940 120.400 0.014 0.000 2.432 448 K HA 0.170 4.495 4.320 0.007 0.000 0.196 448 K C 0.417 176.764 176.600 -0.421 0.000 1.038 448 K CA 0.681 56.865 56.287 -0.173 0.000 0.986 448 K CB 0.049 32.456 32.500 -0.157 0.000 0.782 448 K HN 0.626 nan 8.250 nan 0.000 0.485 449 Y N -0.338 119.959 120.300 -0.005 0.000 2.685 449 Y HA 0.158 4.709 4.550 0.002 0.000 0.257 449 Y C 0.056 175.982 175.900 0.043 0.000 1.053 449 Y CA -0.763 57.351 58.100 0.023 0.000 1.106 449 Y CB 0.571 39.072 38.460 0.069 0.000 1.193 449 Y HN -0.117 nan 8.280 nan 0.000 0.602 450 D N 0.276 120.731 120.400 0.092 0.000 2.336 450 D HA -0.051 4.593 4.640 0.007 0.000 0.229 450 D C 1.309 177.639 176.300 0.049 0.000 1.061 450 D CA 0.642 54.676 54.000 0.057 0.000 0.875 450 D CB 0.021 40.831 40.800 0.017 0.000 0.904 450 D HN 0.483 nan 8.370 nan 0.000 0.525 451 N N 0.046 118.782 118.700 0.059 0.000 2.159 451 N HA 0.005 4.749 4.740 0.007 0.000 0.217 451 N C -0.029 175.517 175.510 0.061 0.000 1.223 451 N CA -0.213 52.860 53.050 0.039 0.000 0.896 451 N CB 0.629 39.118 38.487 0.004 0.000 1.064 451 N HN -0.025 nan 8.380 nan 0.000 0.518 452 I N 2.505 123.144 120.570 0.115 0.000 2.395 452 I HA 0.314 4.488 4.170 0.007 0.000 0.289 452 I C -2.049 174.159 176.117 0.152 0.000 1.023 452 I CA -2.130 59.232 61.300 0.103 0.000 1.350 452 I CB 0.660 38.701 38.000 0.069 0.000 1.409 452 I HN -0.128 nan 8.210 nan 0.000 0.507 453 P HA -0.015 nan 4.420 nan 0.000 0.265 453 P C 0.481 177.913 177.300 0.222 0.000 1.187 453 P CA -0.085 63.089 63.100 0.123 0.000 0.766 453 P CB 0.385 32.135 31.700 0.084 0.000 0.820 454 E N 1.997 122.335 120.200 0.230 0.000 2.153 454 E HA -0.307 4.048 4.350 0.007 0.000 0.194 454 E C 1.461 178.258 176.600 0.328 0.000 0.988 454 E CA 0.969 57.548 56.400 0.298 0.000 0.811 454 E CB -0.621 29.153 29.700 0.124 0.000 0.746 454 E HN 0.534 nan 8.360 nan 0.000 0.466 455 H N 0.530 119.690 119.070 0.149 0.000 2.545 455 H HA 0.125 4.684 4.556 0.005 0.000 0.282 455 H C 1.601 177.014 175.328 0.143 0.000 1.020 455 H CA 1.095 57.223 56.048 0.133 0.000 1.243 455 H CB 0.267 30.069 29.762 0.067 0.000 1.377 455 H HN 0.359 nan 8.280 nan 0.000 0.581 456 A N -0.362 122.539 122.820 0.135 0.000 2.123 456 A HA 0.002 4.326 4.320 0.007 0.000 0.214 456 A C 1.651 179.107 177.584 -0.215 0.000 1.152 456 A CA 0.189 52.181 52.037 -0.075 0.000 0.728 456 A CB -0.591 18.275 19.000 -0.223 0.000 0.814 456 A HN 0.287 nan 8.150 nan 0.000 0.464 457 F N -2.276 117.671 119.950 -0.005 0.000 2.664 457 F HA 0.165 4.690 4.527 -0.004 0.000 0.296 457 F C 0.801 176.694 175.800 0.156 0.000 1.125 457 F CA -0.160 57.861 58.000 0.035 0.000 1.444 457 F CB -0.170 38.822 39.000 -0.012 0.000 1.114 457 F HN 0.278 nan 8.300 nan 0.000 0.576 458 Y N 2.081 122.430 120.300 0.080 0.000 2.544 458 Y HA 0.176 4.731 4.550 0.009 0.000 0.330 458 Y C 0.630 176.511 175.900 -0.032 0.000 1.136 458 Y CA -1.213 56.874 58.100 -0.021 0.000 1.417 458 Y CB 0.068 38.386 38.460 -0.236 0.000 1.229 458 Y HN 0.037 nan 8.280 nan 0.000 0.532 459 M N 6.026 125.296 119.600 -0.550 0.000 2.917 459 M HA -0.163 4.321 4.480 0.007 0.000 0.176 459 M C -1.190 174.967 176.300 -0.239 0.000 1.181 459 M CA 1.049 56.038 55.300 -0.518 0.000 0.723 459 M CB -2.474 29.671 32.600 -0.758 0.000 1.207 459 M HN 0.491 nan 8.290 nan 0.000 0.761 460 V N -2.371 117.468 119.914 -0.124 0.000 3.182 460 V HA 1.085 5.209 4.120 0.007 0.000 0.308 460 V C 0.552 176.613 176.094 -0.054 0.000 1.240 460 V CA -0.114 62.157 62.300 -0.048 0.000 1.063 460 V CB 1.712 33.565 31.823 0.049 0.000 1.076 460 V HN 0.487 nan 8.190 nan 0.000 0.446 461 G N 0.185 108.972 108.800 -0.021 0.000 3.348 461 G HA2 0.566 4.530 3.960 0.007 0.000 0.180 461 G HA3 0.566 4.530 3.960 0.007 0.000 0.180 461 G C 0.561 175.480 174.900 0.031 0.000 1.915 461 G CA -0.045 45.036 45.100 -0.031 0.000 0.937 461 G HN 1.446 nan 8.290 nan 0.000 0.564 462 G N -0.944 107.890 108.800 0.057 0.000 2.616 462 G HA2 0.334 4.298 3.960 0.007 0.000 0.268 462 G HA3 0.334 4.298 3.960 0.007 0.000 0.268 462 G C 0.842 175.841 174.900 0.166 0.000 1.213 462 G CA -0.081 45.088 45.100 0.115 0.000 0.926 462 G HN 0.399 nan 8.290 nan 0.000 0.523 463 I N -0.718 119.932 120.570 0.134 0.000 2.335 463 I HA -0.126 4.049 4.170 0.007 0.000 0.251 463 I C 2.339 178.389 176.117 -0.111 0.000 1.129 463 I CA 1.582 62.829 61.300 -0.089 0.000 1.402 463 I CB -0.121 37.782 38.000 -0.161 0.000 1.069 463 I HN 0.767 nan 8.210 nan 0.000 0.424 464 E N -0.476 119.707 120.200 -0.028 0.000 2.409 464 E HA -0.244 4.110 4.350 0.007 0.000 0.198 464 E C 1.526 178.104 176.600 -0.037 0.000 1.024 464 E CA 0.830 57.217 56.400 -0.023 0.000 0.861 464 E CB -0.114 29.586 29.700 0.000 0.000 0.788 464 E HN 0.535 nan 8.360 nan 0.000 0.521 465 D N -0.672 119.705 120.400 -0.039 0.000 2.346 465 D HA -0.045 4.599 4.640 0.007 0.000 0.206 465 D C 1.734 177.977 176.300 -0.095 0.000 1.001 465 D CA 0.274 54.248 54.000 -0.043 0.000 0.871 465 D CB 0.583 41.377 40.800 -0.011 0.000 0.943 465 D HN 0.093 nan 8.370 nan 0.000 0.518 466 V N 1.159 120.965 119.914 -0.179 0.000 2.323 466 V HA -0.193 3.931 4.120 0.007 0.000 0.244 466 V C 2.838 178.775 176.094 -0.262 0.000 1.041 466 V CA 1.617 63.710 62.300 -0.345 0.000 1.025 466 V CB -0.637 30.761 31.823 -0.708 0.000 0.656 466 V HN 0.191 nan 8.190 nan 0.000 0.451 467 V N -0.486 119.325 119.914 -0.173 0.000 2.594 467 V HA -0.130 3.994 4.120 0.007 0.000 0.253 467 V C 2.474 178.526 176.094 -0.070 0.000 1.069 467 V CA 1.753 63.999 62.300 -0.088 0.000 1.082 467 V CB -1.513 30.295 31.823 -0.025 0.000 0.680 467 V HN 0.388 nan 8.190 nan 0.000 0.469 468 A N 0.743 123.521 122.820 -0.069 0.000 1.873 468 A HA -0.155 4.169 4.320 0.007 0.000 0.215 468 A C 2.413 179.970 177.584 -0.046 0.000 1.186 468 A CA 2.045 54.053 52.037 -0.047 0.000 0.616 468 A CB -0.529 18.447 19.000 -0.040 0.000 0.823 468 A HN 0.567 nan 8.150 nan 0.000 0.442 469 K N -0.451 119.913 120.400 -0.061 0.000 2.228 469 K HA 0.100 4.424 4.320 0.007 0.000 0.202 469 K C 2.030 178.607 176.600 -0.039 0.000 1.051 469 K CA 0.904 57.168 56.287 -0.039 0.000 0.960 469 K CB -0.238 32.239 32.500 -0.038 0.000 0.743 469 K HN 0.348 nan 8.250 nan 0.000 0.458 470 A N 1.505 124.277 122.820 -0.079 0.000 1.877 470 A HA -0.173 4.151 4.320 0.007 0.000 0.216 470 A C 1.750 179.313 177.584 -0.035 0.000 1.186 470 A CA 1.611 53.605 52.037 -0.071 0.000 0.620 470 A CB -0.341 18.594 19.000 -0.108 0.000 0.822 470 A HN 0.446 nan 8.150 nan 0.000 0.443 471 E N -0.424 119.756 120.200 -0.033 0.000 2.122 471 E HA -0.064 4.290 4.350 0.007 0.000 0.190 471 E C 1.845 178.437 176.600 -0.014 0.000 0.977 471 E CA 0.669 57.056 56.400 -0.022 0.000 0.820 471 E CB -0.102 29.585 29.700 -0.022 0.000 0.770 471 E HN 0.510 nan 8.360 nan 0.000 0.462 472 K N 0.544 120.937 120.400 -0.013 0.000 2.360 472 K HA -0.064 4.261 4.320 0.007 0.000 0.201 472 K C 1.810 178.410 176.600 -0.000 0.000 1.046 472 K CA 0.698 56.982 56.287 -0.006 0.000 0.945 472 K CB 0.119 32.617 32.500 -0.004 0.000 0.750 472 K HN 0.151 nan 8.250 nan 0.000 0.464 473 L N -0.795 120.429 121.223 0.002 0.000 2.513 473 L HA 0.099 4.444 4.340 0.007 0.000 0.222 473 L C 2.232 179.099 176.870 -0.005 0.000 1.096 473 L CA 0.020 54.862 54.840 0.004 0.000 0.857 473 L CB -0.062 42.010 42.059 0.022 0.000 1.026 473 L HN 0.065 nan 8.230 nan 0.000 0.469 474 A N 0.864 123.680 122.820 -0.007 0.000 1.855 474 A HA 0.086 4.410 4.320 0.007 0.000 0.215 474 A C 1.654 179.233 177.584 -0.009 0.000 1.191 474 A CA 1.142 53.174 52.037 -0.009 0.000 0.613 474 A CB -0.543 18.451 19.000 -0.011 0.000 0.829 474 A HN 0.306 nan 8.150 nan 0.000 0.442 475 A N 0.000 122.815 122.820 -0.009 0.000 2.254 475 A HA 0.000 4.324 4.320 0.007 0.000 0.244 475 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 475 A CB 0.000 18.995 19.000 -0.008 0.000 0.831 475 A HN 0.000 nan 8.150 nan 0.000 0.486