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 3gpc_1_B DATA FIRST_RESID 35 DATA SEQUENCE WGHQEVPAKF NFASDVLDHW ADMEKAGKRP PSPALWWVNG KGKELMWNFR DATA SEQUENCE ELSENSQQAA NVLSGACGLQ RGDRVAVVLP RVPEWWLVIL GCIRAGLIFM DATA SEQUENCE PGTIQMKSTD ILYRLQMSKA KAIVAGDEVI QEVDTVASEC PSLRIKLLVS DATA SEQUENCE EKSCDGWLNF KKLLNEASTT HHCVETGSQE ASAIYFTSXX XGLPKMAEHS DATA SEQUENCE YSSLGLKAKM DAGWTGLQAS DIMWTISDTG WILNILCSLM EPWALGACTF DATA SEQUENCE VHLLPKFDPL VILKTLSSYP IKSMMGAPIV YRMLLQQDLS SYKFPHLQNC DATA SEQUENCE VTVGESLLPE TLENWRAQTG LDIRESYGQT ETGLTCMVSK TMKIKPGYMG DATA SEQUENCE TAASCYDVQI IDDKGNVLPP GTEGDIGIRV KPIRPIGIFS GYVDNPDKTA DATA SEQUENCE ANIRGDFWLL GDRGIKDEDG YFQFMGRADD IINSSGYRIG PSEVENALME DATA SEQUENCE HPAVVETAVI SSPDPVRGEV VKAFVVLASQ FLSHDPEQLT KELQQHVKSV DATA SEQUENCE TAPYKYPRKI EFVLNLPKTV TGKIQRAKLR DKEWK 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 35 W HA 0.000 nan 4.660 nan 0.000 0.303 35 W C 0.000 176.457 176.519 -0.103 0.000 1.175 35 W CA 0.000 57.305 57.345 -0.067 0.000 1.226 35 W CB 0.000 29.427 29.460 -0.056 0.000 1.126 36 G N 1.321 110.130 108.800 0.016 0.000 2.698 36 G HA2 -0.081 3.880 3.960 0.002 0.000 0.233 36 G HA3 -0.081 3.880 3.960 0.002 0.000 0.233 36 G C -0.806 174.040 174.900 -0.091 0.000 1.352 36 G CA 0.411 45.459 45.100 -0.086 0.000 0.879 36 G HN 1.227 nan 8.290 nan 0.000 0.567 37 H N -0.445 118.543 119.070 -0.137 0.000 2.947 37 H HA 0.518 5.076 4.556 0.002 0.000 0.290 37 H C -0.136 175.097 175.328 -0.159 0.000 1.430 37 H CA -0.282 55.675 56.048 -0.152 0.000 1.189 37 H CB 1.324 31.042 29.762 -0.073 0.000 1.875 37 H HN 0.673 nan 8.280 nan 0.000 0.568 38 Q N -0.045 119.858 119.800 0.173 0.000 2.195 38 Q HA 0.512 4.853 4.340 0.002 0.000 0.250 38 Q C -0.517 175.495 176.000 0.020 0.000 0.988 38 Q CA -0.686 55.130 55.803 0.022 0.000 0.911 38 Q CB 1.370 30.113 28.738 0.008 0.000 1.258 38 Q HN 0.742 nan 8.270 nan 0.000 0.475 39 E N 0.425 120.619 120.200 -0.011 0.000 2.683 39 E HA 0.496 4.848 4.350 0.002 0.000 0.224 39 E C -0.850 175.743 176.600 -0.013 0.000 1.046 39 E CA -0.472 55.921 56.400 -0.012 0.000 0.811 39 E CB 0.723 30.413 29.700 -0.016 0.000 1.296 39 E HN 0.431 nan 8.360 nan 0.000 0.421 40 V N -1.574 118.338 119.914 -0.004 0.000 3.007 40 V HA 0.915 5.036 4.120 0.002 0.000 0.311 40 V C -2.588 173.517 176.094 0.019 0.000 1.120 40 V CA -2.436 59.864 62.300 0.001 0.000 0.980 40 V CB 1.554 33.382 31.823 0.009 0.000 1.033 40 V HN 0.428 nan 8.190 nan 0.000 0.429 41 P HA 0.243 nan 4.420 nan 0.000 0.268 41 P C 0.826 178.169 177.300 0.071 0.000 1.208 41 P CA 0.448 63.585 63.100 0.062 0.000 0.777 41 P CB 1.068 32.834 31.700 0.110 0.000 0.875 42 A N 2.883 125.735 122.820 0.054 0.000 1.902 42 A HA -0.095 4.227 4.320 0.002 0.000 0.217 42 A C 0.918 178.547 177.584 0.074 0.000 1.181 42 A CA 1.408 53.474 52.037 0.048 0.000 0.623 42 A CB -0.335 18.680 19.000 0.025 0.000 0.818 42 A HN 0.457 nan 8.150 nan 0.000 0.443 43 K N -1.533 118.919 120.400 0.087 0.000 2.270 43 K HA 0.667 4.988 4.320 0.002 0.000 0.255 43 K C -1.786 174.926 176.600 0.186 0.000 0.936 43 K CA -0.387 55.951 56.287 0.085 0.000 0.809 43 K CB 1.750 34.261 32.500 0.020 0.000 1.131 43 K HN 0.225 nan 8.250 nan 0.000 0.427 44 F N 1.588 121.550 119.950 0.020 0.000 2.650 44 F HA 0.355 4.883 4.527 0.002 0.000 0.310 44 F C -1.365 174.468 175.800 0.056 0.000 1.112 44 F CA -0.620 57.418 58.000 0.064 0.000 0.986 44 F CB 1.831 40.908 39.000 0.129 0.000 1.285 44 F HN 0.454 nan 8.300 nan 0.000 0.440 45 N N 5.445 123.726 118.700 -0.697 0.000 2.542 45 N HA 0.107 4.848 4.740 0.002 0.000 0.288 45 N C -0.212 175.075 175.510 -0.372 0.000 1.115 45 N CA -0.328 52.547 53.050 -0.293 0.000 0.924 45 N CB 1.142 39.497 38.487 -0.219 0.000 1.526 45 N HN 0.715 nan 8.380 nan 0.000 0.515 46 F N 3.933 123.873 119.950 -0.017 0.000 2.126 46 F HA -0.108 4.421 4.527 0.002 0.000 0.299 46 F C 2.105 177.967 175.800 0.104 0.000 1.096 46 F CA 2.270 60.349 58.000 0.133 0.000 1.255 46 F CB 0.191 39.419 39.000 0.382 0.000 0.997 46 F HN 0.686 nan 8.300 nan 0.000 0.479 47 A N -0.298 122.677 122.820 0.260 0.000 1.858 47 A HA -0.203 4.118 4.320 0.002 0.000 0.216 47 A C 2.350 179.933 177.584 -0.001 0.000 1.190 47 A CA 2.293 54.433 52.037 0.171 0.000 0.617 47 A CB -1.390 17.726 19.000 0.194 0.000 0.827 47 A HN 0.498 nan 8.150 nan 0.000 0.443 48 S N -0.457 115.209 115.700 -0.056 0.000 2.395 48 S HA -0.105 4.367 4.470 0.002 0.000 0.225 48 S C 1.276 175.772 174.600 -0.174 0.000 1.027 48 S CA 1.250 59.393 58.200 -0.096 0.000 0.965 48 S CB -0.340 62.805 63.200 -0.092 0.000 0.812 48 S HN 0.489 nan 8.310 nan 0.000 0.482 49 D N 0.607 120.826 120.400 -0.302 0.000 2.289 49 D HA 0.186 4.827 4.640 0.002 0.000 0.207 49 D C 1.699 177.813 176.300 -0.311 0.000 0.966 49 D CA 0.597 54.387 54.000 -0.350 0.000 0.868 49 D CB 0.524 40.943 40.800 -0.635 0.000 0.943 49 D HN 0.416 nan 8.370 nan 0.000 0.514 50 V N -0.120 119.569 119.914 -0.375 0.000 3.278 50 V HA 0.011 4.132 4.120 0.002 0.000 0.215 50 V C 1.865 177.821 176.094 -0.230 0.000 1.287 50 V CA -0.071 61.984 62.300 -0.408 0.000 1.302 50 V CB -0.059 31.273 31.823 -0.819 0.000 1.228 50 V HN -0.002 nan 8.190 nan 0.000 0.523 51 L N 0.967 122.091 121.223 -0.166 0.000 2.046 51 L HA -0.125 4.216 4.340 0.002 0.000 0.208 51 L C 1.896 178.835 176.870 0.116 0.000 1.077 51 L CA 2.190 57.122 54.840 0.153 0.000 0.747 51 L CB -0.718 41.465 42.059 0.207 0.000 0.896 51 L HN 0.336 nan 8.230 nan 0.000 0.432 52 D N -2.235 118.172 120.400 0.011 0.000 2.312 52 D HA -0.169 4.473 4.640 0.002 0.000 0.211 52 D C 1.889 178.147 176.300 -0.069 0.000 0.964 52 D CA 0.912 54.911 54.000 -0.002 0.000 0.877 52 D CB -0.045 40.748 40.800 -0.012 0.000 0.924 52 D HN 0.541 nan 8.370 nan 0.000 0.515 53 H N -0.456 118.461 119.070 -0.255 0.000 2.319 53 H HA -0.180 4.377 4.556 0.002 0.000 0.297 53 H C 1.748 176.832 175.328 -0.407 0.000 1.097 53 H CA 2.044 57.847 56.048 -0.409 0.000 1.285 53 H CB -0.400 28.963 29.762 -0.665 0.000 1.368 53 H HN 0.186 nan 8.280 nan 0.000 0.495 54 W N 0.447 121.594 121.300 -0.256 0.000 2.363 54 W HA -0.044 4.617 4.660 0.002 0.000 0.296 54 W C 2.908 179.279 176.519 -0.248 0.000 1.212 54 W CA 0.854 57.939 57.345 -0.433 0.000 1.260 54 W CB -0.418 28.501 29.460 -0.902 0.000 1.131 54 W HN 0.332 nan 8.180 nan 0.000 0.530 55 A N 0.708 123.596 122.820 0.113 0.000 1.865 55 A HA -0.251 4.070 4.320 0.002 0.000 0.217 55 A C 1.673 179.257 177.584 0.000 0.000 1.191 55 A CA 2.282 54.381 52.037 0.104 0.000 0.623 55 A CB -0.989 18.065 19.000 0.091 0.000 0.826 55 A HN 0.157 nan 8.150 nan 0.000 0.444 56 D N -0.461 119.889 120.400 -0.084 0.000 2.123 56 D HA -0.150 4.491 4.640 0.002 0.000 0.196 56 D C 2.073 178.291 176.300 -0.138 0.000 0.992 56 D CA 1.279 55.211 54.000 -0.114 0.000 0.833 56 D CB -0.318 40.391 40.800 -0.151 0.000 0.954 56 D HN 0.362 nan 8.370 nan 0.000 0.455 57 M N 0.372 119.833 119.600 -0.232 0.000 2.108 57 M HA -0.151 4.330 4.480 0.002 0.000 0.261 57 M C 1.988 178.258 176.300 -0.049 0.000 1.066 57 M CA 1.318 56.514 55.300 -0.173 0.000 1.107 57 M CB -0.630 31.841 32.600 -0.214 0.000 1.356 57 M HN 0.132 nan 8.290 nan 0.000 0.406 58 E N 0.383 120.580 120.200 -0.005 0.000 2.028 58 E HA -0.175 4.176 4.350 0.002 0.000 0.191 58 E C 2.042 178.650 176.600 0.012 0.000 0.988 58 E CA 1.143 57.561 56.400 0.031 0.000 0.799 58 E CB -0.092 29.654 29.700 0.075 0.000 0.755 58 E HN 0.479 nan 8.360 nan 0.000 0.447 59 K N 0.587 120.989 120.400 0.003 0.000 2.113 59 K HA -0.150 4.172 4.320 0.002 0.000 0.208 59 K C 2.022 178.615 176.600 -0.010 0.000 1.047 59 K CA 1.251 57.537 56.287 -0.003 0.000 0.928 59 K CB -0.149 32.346 32.500 -0.008 0.000 0.716 59 K HN 0.059 nan 8.250 nan 0.000 0.446 60 A N 0.322 123.129 122.820 -0.023 0.000 2.209 60 A HA 0.081 4.402 4.320 0.002 0.000 0.212 60 A C 1.551 179.128 177.584 -0.012 0.000 1.158 60 A CA 1.023 53.047 52.037 -0.023 0.000 0.742 60 A CB -0.611 18.364 19.000 -0.041 0.000 0.790 60 A HN 0.452 nan 8.150 nan 0.000 0.472 61 G N -0.632 108.166 108.800 -0.004 0.000 2.168 61 G HA2 -0.322 3.639 3.960 0.002 0.000 0.257 61 G HA3 -0.322 3.639 3.960 0.002 0.000 0.257 61 G C 0.801 175.705 174.900 0.007 0.000 0.997 61 G CA 0.934 46.037 45.100 0.004 0.000 0.708 61 G HN 0.584 nan 8.290 nan 0.000 0.520 62 K N -0.909 119.492 120.400 0.001 0.000 2.393 62 K HA 0.180 4.501 4.320 0.002 0.000 0.193 62 K C 1.196 177.813 176.600 0.028 0.000 1.026 62 K CA 0.191 56.482 56.287 0.008 0.000 1.064 62 K CB 0.586 33.080 32.500 -0.010 0.000 0.833 62 K HN 0.402 nan 8.250 nan 0.000 0.521 63 R N 1.107 121.628 120.500 0.034 0.000 2.740 63 R HA 0.267 4.608 4.340 0.002 0.000 0.273 63 R C -2.901 173.431 176.300 0.053 0.000 0.998 63 R CA -1.951 54.184 56.100 0.059 0.000 0.900 63 R CB 1.869 32.224 30.300 0.091 0.000 1.223 63 R HN -0.188 nan 8.270 nan 0.000 0.466 64 P HA 0.229 nan 4.420 nan 0.000 0.274 64 P C -2.659 174.681 177.300 0.066 0.000 1.237 64 P CA -1.652 61.477 63.100 0.049 0.000 0.793 64 P CB 0.031 31.757 31.700 0.043 0.000 0.977 65 P HA 0.041 nan 4.420 nan 0.000 0.258 65 P C -0.486 176.868 177.300 0.090 0.000 1.187 65 P CA 0.945 64.090 63.100 0.074 0.000 0.767 65 P CB -0.099 31.622 31.700 0.036 0.000 0.770 66 S N 5.898 121.698 115.700 0.166 0.000 2.482 66 S HA 0.527 4.999 4.470 0.002 0.000 0.303 66 S C -2.492 172.219 174.600 0.184 0.000 1.091 66 S CA -1.618 56.696 58.200 0.191 0.000 1.057 66 S CB 1.205 64.550 63.200 0.242 0.000 1.031 66 S HN 0.323 nan 8.310 nan 0.000 0.485 67 P HA 0.220 nan 4.420 nan 0.000 0.271 67 P C -0.118 177.160 177.300 -0.038 0.000 1.220 67 P CA -0.124 62.995 63.100 0.033 0.000 0.768 67 P CB 1.059 32.791 31.700 0.052 0.000 0.848 68 A N 4.012 126.627 122.820 -0.341 0.000 1.984 68 A HA 0.231 4.552 4.320 0.002 0.000 0.203 68 A C 0.447 178.072 177.584 0.069 0.000 1.292 68 A CA 0.748 52.366 52.037 -0.698 0.000 0.782 68 A CB -0.095 17.862 19.000 -1.738 0.000 0.924 68 A HN 0.493 nan 8.150 nan 0.000 0.475 69 L N -1.045 120.231 121.223 0.087 0.000 2.439 69 L HA 0.648 4.990 4.340 0.002 0.000 0.270 69 L C -2.174 174.882 176.870 0.309 0.000 0.972 69 L CA -0.446 54.504 54.840 0.183 0.000 0.836 69 L CB 1.898 43.970 42.059 0.022 0.000 1.255 69 L HN 0.327 nan 8.230 nan 0.000 0.404 70 W N 6.749 128.040 121.300 -0.014 0.000 2.499 70 W HA 0.463 5.125 4.660 0.002 0.000 0.320 70 W C -2.048 174.235 176.519 -0.392 0.000 1.010 70 W CA -1.666 55.636 57.345 -0.072 0.000 1.267 70 W CB 1.348 30.808 29.460 -0.000 0.000 1.316 70 W HN 0.664 nan 8.180 nan 0.000 0.431 71 W N 8.234 129.479 121.300 -0.091 0.000 2.666 71 W HA 0.649 5.310 4.660 0.002 0.000 0.334 71 W C -1.101 175.180 176.519 -0.397 0.000 1.051 71 W CA -0.767 56.328 57.345 -0.415 0.000 1.224 71 W CB 1.395 30.763 29.460 -0.153 0.000 1.405 71 W HN 0.326 nan 8.180 nan 0.000 0.513 72 V N 3.603 122.617 119.914 -1.500 0.000 3.007 72 V HA 0.532 4.654 4.120 0.002 0.000 0.311 72 V C -0.123 174.799 176.094 -1.953 0.000 1.120 72 V CA -0.669 60.782 62.300 -1.415 0.000 0.980 72 V CB 2.026 33.227 31.823 -1.038 0.000 1.033 72 V HN 0.796 nan 8.190 nan 0.000 0.429 73 N N 1.087 118.938 118.700 -1.414 0.000 2.254 73 N HA 0.244 4.985 4.740 0.002 0.000 0.190 73 N C 1.273 176.452 175.510 -0.552 0.000 1.107 73 N CA 0.798 53.294 53.050 -0.922 0.000 0.869 73 N CB 0.790 38.996 38.487 -0.467 0.000 0.983 73 N HN 2.106 nan 8.380 nan 0.000 0.487 74 G N 0.608 109.042 108.800 -0.610 0.000 2.155 74 G HA2 -0.326 3.635 3.960 0.002 0.000 0.257 74 G HA3 -0.326 3.635 3.960 0.002 0.000 0.257 74 G C 0.488 175.345 174.900 -0.072 0.000 0.983 74 G CA 0.678 45.658 45.100 -0.200 0.000 0.676 74 G HN 0.507 nan 8.290 nan 0.000 0.528 75 K N -0.824 119.512 120.400 -0.106 0.000 2.469 75 K HA 0.465 4.787 4.320 0.002 0.000 0.204 75 K C 1.603 178.183 176.600 -0.033 0.000 1.047 75 K CA 0.380 56.642 56.287 -0.041 0.000 1.072 75 K CB 0.912 33.401 32.500 -0.018 0.000 0.863 75 K HN 1.139 nan 8.250 nan 0.000 0.530 76 G N 1.849 110.617 108.800 -0.053 0.000 2.201 76 G HA2 -0.263 3.698 3.960 0.002 0.000 0.212 76 G HA3 -0.263 3.698 3.960 0.002 0.000 0.212 76 G C -0.092 174.800 174.900 -0.013 0.000 0.994 76 G CA -0.275 44.814 45.100 -0.019 0.000 0.644 76 G HN 0.198 nan 8.290 nan 0.000 0.508 77 K N 1.384 121.760 120.400 -0.041 0.000 2.234 77 K HA 0.612 4.933 4.320 0.002 0.000 0.282 77 K C -0.128 176.439 176.600 -0.055 0.000 1.039 77 K CA -0.150 56.145 56.287 0.012 0.000 0.928 77 K CB 0.454 33.021 32.500 0.112 0.000 1.039 77 K HN 0.356 nan 8.250 nan 0.000 0.470 78 E N 3.813 124.063 120.200 0.083 0.000 2.356 78 E HA 0.401 4.753 4.350 0.002 0.000 0.275 78 E C -1.271 175.462 176.600 0.222 0.000 0.904 78 E CA -0.850 55.636 56.400 0.143 0.000 0.757 78 E CB 1.925 31.754 29.700 0.215 0.000 1.232 78 E HN 0.357 nan 8.360 nan 0.000 0.442 79 L N 2.474 123.898 121.223 0.335 0.000 2.431 79 L HA 0.600 4.941 4.340 0.002 0.000 0.266 79 L C -0.904 176.068 176.870 0.170 0.000 0.978 79 L CA -0.717 54.218 54.840 0.159 0.000 0.822 79 L CB 2.183 44.372 42.059 0.215 0.000 1.310 79 L HN 0.415 nan 8.230 nan 0.000 0.409 80 M N 3.165 122.701 119.600 -0.107 0.000 2.326 80 M HA 0.422 4.903 4.480 0.002 0.000 0.292 80 M C -2.171 174.073 176.300 -0.093 0.000 1.081 80 M CA -0.227 55.068 55.300 -0.008 0.000 0.919 80 M CB 2.679 35.111 32.600 -0.280 0.000 1.634 80 M HN 0.582 nan 8.290 nan 0.000 0.451 81 W N 4.062 125.298 121.300 -0.107 0.000 2.529 81 W HA 0.271 4.933 4.660 0.002 0.000 0.321 81 W C 0.109 176.509 176.519 -0.198 0.000 1.047 81 W CA -0.717 56.546 57.345 -0.137 0.000 1.216 81 W CB 1.639 31.013 29.460 -0.144 0.000 1.357 81 W HN 0.697 nan 8.180 nan 0.000 0.489 82 N N 0.288 119.007 118.700 0.032 0.000 2.327 82 N HA 0.144 4.886 4.740 0.002 0.000 0.257 82 N C 0.445 175.890 175.510 -0.109 0.000 1.281 82 N CA -0.234 52.797 53.050 -0.033 0.000 0.942 82 N CB 0.212 38.720 38.487 0.035 0.000 1.199 82 N HN 0.221 nan 8.380 nan 0.000 0.532 83 F N -1.310 118.637 119.950 -0.005 0.000 2.171 83 F HA 0.010 4.538 4.527 0.002 0.000 0.300 83 F C 2.648 178.445 175.800 -0.006 0.000 1.090 83 F CA 1.333 59.307 58.000 -0.042 0.000 1.293 83 F CB -0.283 38.723 39.000 0.011 0.000 1.013 83 F HN 0.529 nan 8.300 nan 0.000 0.486 84 R N 0.792 121.394 120.500 0.169 0.000 2.073 84 R HA -0.173 4.168 4.340 0.002 0.000 0.234 84 R C 1.988 178.338 176.300 0.084 0.000 1.134 84 R CA 1.913 58.075 56.100 0.104 0.000 0.952 84 R CB -0.294 30.050 30.300 0.074 0.000 0.850 84 R HN 0.296 nan 8.270 nan 0.000 0.433 85 E N 0.328 120.583 120.200 0.092 0.000 2.077 85 E HA -0.213 4.138 4.350 0.002 0.000 0.193 85 E C 1.943 178.703 176.600 0.267 0.000 0.989 85 E CA 1.271 57.757 56.400 0.145 0.000 0.800 85 E CB -0.123 29.639 29.700 0.103 0.000 0.746 85 E HN 0.219 nan 8.360 nan 0.000 0.452 86 L N 0.573 121.899 121.223 0.172 0.000 2.056 86 L HA -0.148 4.193 4.340 0.002 0.000 0.207 86 L C 2.339 179.193 176.870 -0.028 0.000 1.078 86 L CA 1.744 56.562 54.840 -0.036 0.000 0.749 86 L CB -0.572 41.258 42.059 -0.382 0.000 0.901 86 L HN -0.003 nan 8.230 nan 0.000 0.433 87 S N -0.771 114.937 115.700 0.013 0.000 2.356 87 S HA -0.225 4.246 4.470 0.002 0.000 0.223 87 S C 1.912 176.540 174.600 0.046 0.000 1.032 87 S CA 1.673 59.895 58.200 0.036 0.000 1.005 87 S CB -0.309 62.925 63.200 0.057 0.000 0.867 87 S HN 0.632 nan 8.310 nan 0.000 0.449 88 E N 0.759 120.995 120.200 0.061 0.000 2.051 88 E HA -0.120 4.231 4.350 0.002 0.000 0.192 88 E C 2.190 178.828 176.600 0.064 0.000 0.991 88 E CA 1.119 57.550 56.400 0.052 0.000 0.799 88 E CB -0.263 29.465 29.700 0.046 0.000 0.748 88 E HN 0.622 nan 8.360 nan 0.000 0.449 89 N N 0.122 118.892 118.700 0.116 0.000 2.244 89 N HA -0.135 4.606 4.740 0.002 0.000 0.183 89 N C 1.843 177.403 175.510 0.082 0.000 1.016 89 N CA 1.202 54.341 53.050 0.147 0.000 0.866 89 N CB 0.143 38.850 38.487 0.367 0.000 0.980 89 N HN 0.080 nan 8.380 nan 0.000 0.430 90 S N -0.091 115.636 115.700 0.045 0.000 2.428 90 S HA -0.057 4.414 4.470 0.002 0.000 0.230 90 S C 1.737 176.337 174.600 0.001 0.000 1.014 90 S CA 0.512 58.725 58.200 0.022 0.000 0.957 90 S CB -0.091 63.116 63.200 0.013 0.000 0.784 90 S HN 0.348 nan 8.310 nan 0.000 0.499 91 Q N 0.980 120.787 119.800 0.012 0.000 2.119 91 Q HA -0.076 4.266 4.340 0.002 0.000 0.201 91 Q C 2.500 178.482 176.000 -0.029 0.000 0.972 91 Q CA 1.443 57.249 55.803 0.005 0.000 0.847 91 Q CB -0.250 28.515 28.738 0.045 0.000 0.903 91 Q HN 0.707 nan 8.270 nan 0.000 0.433 92 Q N 0.131 119.922 119.800 -0.015 0.000 2.096 92 Q HA -0.180 4.161 4.340 0.002 0.000 0.204 92 Q C 2.136 178.098 176.000 -0.063 0.000 0.982 92 Q CA 1.374 57.154 55.803 -0.039 0.000 0.850 92 Q CB -0.231 28.483 28.738 -0.039 0.000 0.901 92 Q HN 0.366 nan 8.270 nan 0.000 0.422 93 A N 1.210 124.015 122.820 -0.024 0.000 1.877 93 A HA -0.145 4.176 4.320 0.002 0.000 0.216 93 A C 2.335 179.908 177.584 -0.018 0.000 1.186 93 A CA 1.652 53.718 52.037 0.050 0.000 0.620 93 A CB -0.856 18.243 19.000 0.165 0.000 0.822 93 A HN 0.409 nan 8.150 nan 0.000 0.443 94 A N 0.168 122.898 122.820 -0.151 0.000 1.908 94 A HA -0.214 4.107 4.320 0.002 0.000 0.218 94 A C 1.941 179.350 177.584 -0.291 0.000 1.181 94 A CA 1.833 53.656 52.037 -0.357 0.000 0.627 94 A CB -0.635 17.845 19.000 -0.866 0.000 0.818 94 A HN 0.552 nan 8.150 nan 0.000 0.445 95 N N 0.087 118.679 118.700 -0.180 0.000 2.188 95 N HA -0.103 4.638 4.740 0.002 0.000 0.184 95 N C 1.726 177.225 175.510 -0.018 0.000 1.018 95 N CA 1.482 54.512 53.050 -0.033 0.000 0.858 95 N CB -0.463 38.029 38.487 0.007 0.000 0.989 95 N HN 0.277 nan 8.380 nan 0.000 0.426 96 V N 1.714 121.608 119.914 -0.034 0.000 2.295 96 V HA -0.190 3.931 4.120 0.002 0.000 0.246 96 V C 2.412 178.528 176.094 0.038 0.000 1.049 96 V CA 1.285 63.579 62.300 -0.009 0.000 1.024 96 V CB -0.509 31.289 31.823 -0.042 0.000 0.648 96 V HN 0.205 nan 8.190 nan 0.000 0.447 97 L N 0.608 121.858 121.223 0.045 0.000 2.027 97 L HA -0.136 4.206 4.340 0.002 0.000 0.206 97 L C 2.649 179.540 176.870 0.035 0.000 1.074 97 L CA 2.002 56.871 54.840 0.048 0.000 0.745 97 L CB -0.604 41.475 42.059 0.033 0.000 0.898 97 L HN 0.547 nan 8.230 nan 0.000 0.433 98 S N -1.136 114.582 115.700 0.029 0.000 2.439 98 S HA 0.051 4.523 4.470 0.002 0.000 0.224 98 S C 1.753 176.389 174.600 0.059 0.000 1.029 98 S CA 0.407 58.643 58.200 0.059 0.000 0.946 98 S CB -0.180 63.086 63.200 0.111 0.000 0.797 98 S HN 0.359 nan 8.310 nan 0.000 0.504 99 G N 1.450 110.281 108.800 0.051 0.000 2.695 99 G HA2 0.397 4.358 3.960 0.002 0.000 0.219 99 G HA3 0.397 4.358 3.960 0.002 0.000 0.219 99 G C 1.680 176.598 174.900 0.029 0.000 1.295 99 G CA 0.354 45.480 45.100 0.044 0.000 0.882 99 G HN 0.655 nan 8.290 nan 0.000 0.570 100 A N -0.278 122.555 122.820 0.021 0.000 1.940 100 A HA -0.080 4.241 4.320 0.002 0.000 0.219 100 A C 2.309 179.906 177.584 0.022 0.000 1.176 100 A CA 2.024 54.071 52.037 0.017 0.000 0.631 100 A CB -0.856 18.149 19.000 0.009 0.000 0.814 100 A HN 0.442 nan 8.150 nan 0.000 0.446 101 C N -1.579 117.738 119.300 0.029 0.000 2.696 101 C HA 0.470 4.931 4.460 0.002 0.000 0.264 101 C C 1.921 176.922 174.990 0.018 0.000 1.288 101 C CA -0.124 58.908 59.018 0.024 0.000 1.717 101 C CB -0.933 26.827 27.740 0.035 0.000 1.893 101 C HN 1.081 nan 8.230 nan 0.000 0.577 102 G N 1.415 110.230 108.800 0.024 0.000 2.225 102 G HA2 -0.268 3.693 3.960 0.002 0.000 0.267 102 G HA3 -0.268 3.693 3.960 0.002 0.000 0.267 102 G C -0.043 174.872 174.900 0.025 0.000 1.024 102 G CA -0.025 45.090 45.100 0.024 0.000 0.784 102 G HN 0.584 nan 8.290 nan 0.000 0.507 103 L N -0.139 121.102 121.223 0.030 0.000 2.416 103 L HA 0.361 4.702 4.340 0.002 0.000 0.272 103 L C 0.996 177.892 176.870 0.044 0.000 1.161 103 L CA -0.022 54.837 54.840 0.032 0.000 0.845 103 L CB 0.793 42.871 42.059 0.032 0.000 1.119 103 L HN 0.290 nan 8.230 nan 0.000 0.464 104 Q N 2.309 122.133 119.800 0.041 0.000 2.257 104 Q HA 0.364 4.705 4.340 0.002 0.000 0.262 104 Q C -0.388 175.646 176.000 0.057 0.000 0.997 104 Q CA -1.034 54.797 55.803 0.047 0.000 0.873 104 Q CB 2.041 30.800 28.738 0.035 0.000 1.312 104 Q HN 0.402 nan 8.270 nan 0.000 0.450 105 R N 0.064 120.604 120.500 0.066 0.000 2.494 105 R HA -0.053 4.289 4.340 0.002 0.000 0.291 105 R C 0.679 177.021 176.300 0.069 0.000 0.953 105 R CA 1.744 57.891 56.100 0.078 0.000 1.098 105 R CB -0.355 29.986 30.300 0.069 0.000 0.911 105 R HN 0.948 nan 8.270 nan 0.000 0.407 106 G N 2.876 111.727 108.800 0.084 0.000 2.217 106 G HA2 -0.244 3.718 3.960 0.002 0.000 0.246 106 G HA3 -0.244 3.718 3.960 0.002 0.000 0.246 106 G C -0.305 174.620 174.900 0.042 0.000 0.990 106 G CA 0.180 45.319 45.100 0.065 0.000 0.627 106 G HN 0.675 nan 8.290 nan 0.000 0.522 107 D N 0.816 121.241 120.400 0.043 0.000 2.399 107 D HA 0.459 5.100 4.640 0.002 0.000 0.241 107 D C 1.001 177.315 176.300 0.023 0.000 1.133 107 D CA 0.158 54.174 54.000 0.027 0.000 0.890 107 D CB 0.450 41.266 40.800 0.027 0.000 1.201 107 D HN 0.393 nan 8.370 nan 0.000 0.432 108 R N 0.742 121.248 120.500 0.010 0.000 2.265 108 R HA 0.493 4.834 4.340 0.002 0.000 0.319 108 R C -0.865 175.441 176.300 0.010 0.000 1.006 108 R CA -0.695 55.407 56.100 0.004 0.000 0.880 108 R CB 1.266 31.564 30.300 -0.002 0.000 1.077 108 R HN 0.103 nan 8.270 nan 0.000 0.454 109 V N 2.939 122.862 119.914 0.015 0.000 2.376 109 V HA 0.363 4.485 4.120 0.002 0.000 0.287 109 V C 0.112 176.216 176.094 0.017 0.000 1.015 109 V CA -0.993 61.316 62.300 0.014 0.000 0.834 109 V CB 1.488 33.320 31.823 0.015 0.000 1.001 109 V HN 0.927 nan 8.190 nan 0.000 0.428 110 A N 4.989 127.821 122.820 0.020 0.000 2.440 110 A HA 0.641 4.962 4.320 0.002 0.000 0.251 110 A C -0.258 177.336 177.584 0.017 0.000 1.089 110 A CA -0.075 51.980 52.037 0.031 0.000 0.779 110 A CB 0.475 19.497 19.000 0.036 0.000 1.022 110 A HN 0.776 nan 8.150 nan 0.000 0.492 111 V N 3.366 123.294 119.914 0.022 0.000 2.443 111 V HA 0.435 4.557 4.120 0.002 0.000 0.293 111 V C -0.621 175.524 176.094 0.084 0.000 1.021 111 V CA -0.394 61.908 62.300 0.004 0.000 0.848 111 V CB 1.625 33.377 31.823 -0.117 0.000 0.998 111 V HN 0.634 nan 8.190 nan 0.000 0.424 112 V N 6.913 126.872 119.914 0.076 0.000 2.380 112 V HA 0.532 4.653 4.120 0.002 0.000 0.268 112 V C -0.472 175.657 176.094 0.059 0.000 1.008 112 V CA -0.147 62.197 62.300 0.073 0.000 0.823 112 V CB 1.068 32.924 31.823 0.054 0.000 1.053 112 V HN 0.675 nan 8.190 nan 0.000 0.446 113 L N 5.443 126.718 121.223 0.086 0.000 2.393 113 L HA 0.671 5.012 4.340 0.002 0.000 0.260 113 L C -2.286 174.590 176.870 0.010 0.000 1.002 113 L CA -1.882 52.998 54.840 0.066 0.000 0.818 113 L CB 3.653 45.797 42.059 0.143 0.000 1.369 113 L HN 0.297 nan 8.230 nan 0.000 0.412 114 P HA 0.094 nan 4.420 nan 0.000 0.288 114 P C -0.817 176.519 177.300 0.060 0.000 1.291 114 P CA -0.433 62.677 63.100 0.016 0.000 0.766 114 P CB 0.429 32.165 31.700 0.061 0.000 1.242 115 R N 0.025 120.605 120.500 0.133 0.000 3.710 115 R HA 0.243 4.584 4.340 0.002 0.000 0.201 115 R C -0.106 176.472 176.300 0.464 0.000 1.641 115 R CA -0.241 56.041 56.100 0.304 0.000 1.390 115 R CB -0.912 29.554 30.300 0.277 0.000 1.341 115 R HN 0.284 nan 8.270 nan 0.000 0.728 116 V N -1.265 118.860 119.914 0.352 0.000 2.815 116 V HA 0.434 4.556 4.120 0.002 0.000 0.314 116 V C -2.163 173.979 176.094 0.080 0.000 1.064 116 V CA -2.520 59.805 62.300 0.042 0.000 0.952 116 V CB 2.104 33.901 31.823 -0.043 0.000 1.020 116 V HN 0.168 nan 8.190 nan 0.000 0.439 117 P HA -0.070 nan 4.420 nan 0.000 0.219 117 P C 1.178 178.522 177.300 0.073 0.000 1.146 117 P CA 1.204 64.190 63.100 -0.189 0.000 0.808 117 P CB 0.247 31.694 31.700 -0.421 0.000 0.779 118 E N -1.763 118.462 120.200 0.042 0.000 2.267 118 E HA -0.195 4.156 4.350 0.002 0.000 0.197 118 E C 1.633 178.237 176.600 0.007 0.000 0.998 118 E CA 0.877 57.301 56.400 0.039 0.000 0.830 118 E CB -0.910 28.771 29.700 -0.031 0.000 0.751 118 E HN 0.381 nan 8.360 nan 0.000 0.491 119 W N 0.086 121.356 121.300 -0.051 0.000 2.354 119 W HA -0.166 4.496 4.660 0.002 0.000 0.315 119 W C 1.571 177.911 176.519 -0.298 0.000 1.206 119 W CA 1.443 58.639 57.345 -0.247 0.000 1.290 119 W CB -0.245 28.961 29.460 -0.423 0.000 1.152 119 W HN 0.095 nan 8.180 nan 0.000 0.489 120 W N 0.102 121.513 121.300 0.185 0.000 2.338 120 W HA -0.204 4.457 4.660 0.002 0.000 0.304 120 W C 2.063 178.511 176.519 -0.118 0.000 1.212 120 W CA 1.145 58.535 57.345 0.074 0.000 1.264 120 W CB -1.197 28.362 29.460 0.165 0.000 1.142 120 W HN -0.007 nan 8.180 nan 0.000 0.512 121 L N -0.619 120.640 121.223 0.061 0.000 2.093 121 L HA -0.191 4.150 4.340 0.002 0.000 0.208 121 L C 2.268 179.094 176.870 -0.073 0.000 1.085 121 L CA 0.727 55.567 54.840 0.000 0.000 0.755 121 L CB -1.226 40.874 42.059 0.069 0.000 0.904 121 L HN -0.219 nan 8.230 nan 0.000 0.435 122 V N -0.257 119.521 119.914 -0.227 0.000 2.379 122 V HA -0.218 3.903 4.120 0.002 0.000 0.245 122 V C 2.432 178.270 176.094 -0.426 0.000 1.044 122 V CA 1.092 63.203 62.300 -0.315 0.000 1.036 122 V CB -0.169 31.356 31.823 -0.496 0.000 0.664 122 V HN 0.224 nan 8.190 nan 0.000 0.453 123 I N -0.108 120.028 120.570 -0.725 0.000 2.163 123 I HA -0.238 3.933 4.170 0.002 0.000 0.243 123 I C 2.376 178.171 176.117 -0.536 0.000 1.085 123 I CA 1.739 62.458 61.300 -0.968 0.000 1.347 123 I CB -1.219 35.864 38.000 -1.527 0.000 1.044 123 I HN 0.249 nan 8.210 nan 0.000 0.408 124 L N 0.258 121.320 121.223 -0.269 0.000 2.042 124 L HA -0.167 4.175 4.340 0.002 0.000 0.210 124 L C 2.630 179.482 176.870 -0.029 0.000 1.076 124 L CA 1.559 56.379 54.840 -0.034 0.000 0.749 124 L CB -1.160 40.951 42.059 0.086 0.000 0.893 124 L HN 0.319 nan 8.230 nan 0.000 0.432 125 G N -0.773 107.982 108.800 -0.076 0.000 2.421 125 G HA2 -0.253 3.708 3.960 0.002 0.000 0.216 125 G HA3 -0.253 3.708 3.960 0.002 0.000 0.216 125 G C 1.640 176.511 174.900 -0.048 0.000 1.171 125 G CA 0.951 46.010 45.100 -0.069 0.000 0.775 125 G HN 0.404 nan 8.290 nan 0.000 0.543 126 C N 0.385 119.657 119.300 -0.047 0.000 2.413 126 C HA -0.034 4.427 4.460 0.002 0.000 0.276 126 C C 2.851 177.953 174.990 0.186 0.000 1.236 126 C CA 0.658 59.714 59.018 0.064 0.000 1.735 126 C CB -1.075 26.730 27.740 0.109 0.000 2.031 126 C HN 0.481 nan 8.230 nan 0.000 0.474 127 I N 0.411 121.098 120.570 0.194 0.000 2.163 127 I HA -0.241 3.930 4.170 0.002 0.000 0.243 127 I C 2.811 179.102 176.117 0.290 0.000 1.085 127 I CA 1.628 63.154 61.300 0.377 0.000 1.347 127 I CB -0.493 37.720 38.000 0.356 0.000 1.044 127 I HN 0.333 nan 8.210 nan 0.000 0.408 128 R N 0.616 121.221 120.500 0.175 0.000 2.091 128 R HA -0.119 4.223 4.340 0.002 0.000 0.238 128 R C 2.014 178.458 176.300 0.240 0.000 1.136 128 R CA 1.585 57.789 56.100 0.174 0.000 0.959 128 R CB -0.403 29.960 30.300 0.106 0.000 0.856 128 R HN 0.357 nan 8.270 nan 0.000 0.437 129 A N 0.032 122.936 122.820 0.141 0.000 2.307 129 A HA 0.266 4.587 4.320 0.002 0.000 0.218 129 A C 1.132 178.821 177.584 0.175 0.000 1.228 129 A CA 0.478 52.619 52.037 0.173 0.000 0.857 129 A CB -0.031 18.994 19.000 0.042 0.000 0.897 129 A HN 0.438 nan 8.150 nan 0.000 0.495 130 G N -0.399 108.527 108.800 0.209 0.000 2.249 130 G HA2 -0.230 3.732 3.960 0.002 0.000 0.273 130 G HA3 -0.230 3.732 3.960 0.002 0.000 0.273 130 G C -0.040 175.003 174.900 0.238 0.000 1.036 130 G CA 0.615 45.864 45.100 0.249 0.000 0.824 130 G HN 0.501 nan 8.290 nan 0.000 0.504 131 L N -0.442 120.911 121.223 0.217 0.000 2.334 131 L HA 0.587 4.928 4.340 0.002 0.000 0.275 131 L C 1.021 177.983 176.870 0.152 0.000 1.036 131 L CA -1.217 53.712 54.840 0.149 0.000 0.807 131 L CB 1.480 43.604 42.059 0.107 0.000 1.231 131 L HN 0.009 nan 8.230 nan 0.000 0.438 132 I N 2.940 123.545 120.570 0.058 0.000 2.337 132 I HA 0.129 4.300 4.170 0.002 0.000 0.291 132 I C -0.216 175.871 176.117 -0.051 0.000 1.046 132 I CA -0.253 61.006 61.300 -0.067 0.000 1.324 132 I CB 0.153 38.096 38.000 -0.094 0.000 1.409 132 I HN 0.353 nan 8.210 nan 0.000 0.494 133 F N 5.578 125.458 119.950 -0.116 0.000 2.385 133 F HA 0.697 5.226 4.527 0.002 0.000 0.336 133 F C -0.184 175.492 175.800 -0.207 0.000 1.100 133 F CA -1.038 56.860 58.000 -0.170 0.000 1.116 133 F CB 0.628 39.482 39.000 -0.243 0.000 1.166 133 F HN 0.224 nan 8.300 nan 0.000 0.511 134 M N 4.212 123.798 119.600 -0.023 0.000 1.960 134 M HA 0.345 4.826 4.480 0.002 0.000 0.271 134 M C -2.869 173.420 176.300 -0.019 0.000 0.862 134 M CA -1.548 53.696 55.300 -0.092 0.000 0.854 134 M CB 1.316 33.936 32.600 0.034 0.000 1.575 134 M HN 0.313 nan 8.290 nan 0.000 0.375 135 P HA 0.471 nan 4.420 nan 0.000 0.278 135 P C -0.088 177.297 177.300 0.142 0.000 1.238 135 P CA -0.089 63.081 63.100 0.117 0.000 0.794 135 P CB 1.237 33.122 31.700 0.308 0.000 0.955 136 G N -0.257 108.629 108.800 0.143 0.000 2.690 136 G HA2 0.493 4.455 3.960 0.002 0.000 0.291 136 G HA3 0.493 4.455 3.960 0.002 0.000 0.291 136 G C -1.328 173.605 174.900 0.055 0.000 1.403 136 G CA -0.465 44.700 45.100 0.108 0.000 0.864 136 G HN 0.449 nan 8.290 nan 0.000 0.480 137 T N 0.105 114.680 114.554 0.035 0.000 2.897 137 T HA 0.273 4.624 4.350 0.002 0.000 0.294 137 T C 2.053 176.737 174.700 -0.027 0.000 1.004 137 T CA -0.114 61.964 62.100 -0.038 0.000 1.106 137 T CB 0.329 69.184 68.868 -0.021 0.000 0.949 137 T HN 0.752 nan 8.240 nan 0.000 0.520 138 I N 2.482 123.021 120.570 -0.052 0.000 2.800 138 I HA -0.110 4.061 4.170 0.002 0.000 0.266 138 I C 1.871 177.972 176.117 -0.026 0.000 1.249 138 I CA 1.051 62.331 61.300 -0.033 0.000 1.458 138 I CB -0.421 37.556 38.000 -0.038 0.000 1.093 138 I HN 0.647 nan 8.210 nan 0.000 0.466 139 Q N 0.853 120.636 119.800 -0.030 0.000 2.435 139 Q HA 0.176 4.517 4.340 0.002 0.000 0.207 139 Q C 0.684 176.680 176.000 -0.006 0.000 0.956 139 Q CA 0.276 56.069 55.803 -0.016 0.000 0.917 139 Q CB -0.043 28.687 28.738 -0.013 0.000 0.997 139 Q HN 0.575 nan 8.270 nan 0.000 0.497 140 M N 1.435 121.033 119.600 -0.004 0.000 2.252 140 M HA 0.025 4.506 4.480 0.002 0.000 0.333 140 M C 0.233 176.531 176.300 -0.005 0.000 1.111 140 M CA 0.562 55.859 55.300 -0.005 0.000 1.140 140 M CB 0.452 33.047 32.600 -0.008 0.000 1.538 140 M HN -0.111 nan 8.290 nan 0.000 0.448 141 K N 0.945 121.341 120.400 -0.007 0.000 2.148 141 K HA 0.279 4.601 4.320 0.002 0.000 0.239 141 K C 1.175 177.777 176.600 0.004 0.000 1.018 141 K CA -0.151 56.135 56.287 -0.002 0.000 0.923 141 K CB 0.762 33.258 32.500 -0.006 0.000 1.117 141 K HN 0.767 nan 8.250 nan 0.000 0.477 142 S N -0.214 115.492 115.700 0.011 0.000 2.383 142 S HA -0.164 4.307 4.470 0.002 0.000 0.229 142 S C 1.783 176.395 174.600 0.020 0.000 1.030 142 S CA 1.893 60.106 58.200 0.021 0.000 1.002 142 S CB -0.574 62.642 63.200 0.025 0.000 0.829 142 S HN 0.592 nan 8.310 nan 0.000 0.467 143 T N 2.511 117.073 114.554 0.013 0.000 2.746 143 T HA -0.102 4.249 4.350 0.002 0.000 0.267 143 T C 1.434 176.147 174.700 0.023 0.000 1.039 143 T CA 1.598 63.708 62.100 0.017 0.000 1.142 143 T CB -0.535 68.332 68.868 -0.000 0.000 0.866 143 T HN 0.501 nan 8.240 nan 0.000 0.444 144 D N 0.789 121.187 120.400 -0.003 0.000 2.149 144 D HA 0.031 4.672 4.640 0.002 0.000 0.201 144 D C 2.132 178.431 176.300 -0.002 0.000 0.972 144 D CA 0.766 54.754 54.000 -0.019 0.000 0.835 144 D CB -0.140 40.634 40.800 -0.043 0.000 0.966 144 D HN 0.373 nan 8.370 nan 0.000 0.476 145 I N 0.800 121.369 120.570 -0.001 0.000 2.202 145 I HA -0.236 3.935 4.170 0.002 0.000 0.242 145 I C 2.470 178.590 176.117 0.005 0.000 1.091 145 I CA 0.444 61.740 61.300 -0.006 0.000 1.368 145 I CB -0.143 37.868 38.000 0.019 0.000 1.058 145 I HN -0.026 nan 8.210 nan 0.000 0.410 146 L N 0.438 121.679 121.223 0.031 0.000 1.989 146 L HA -0.299 4.042 4.340 0.002 0.000 0.211 146 L C 2.537 179.432 176.870 0.042 0.000 1.071 146 L CA 2.010 56.871 54.840 0.035 0.000 0.749 146 L CB -1.022 41.065 42.059 0.046 0.000 0.890 146 L HN 0.261 nan 8.230 nan 0.000 0.431 147 Y N 0.406 120.672 120.300 -0.058 0.000 2.081 147 Y HA -0.328 4.223 4.550 0.002 0.000 0.280 147 Y C 2.739 178.587 175.900 -0.086 0.000 1.163 147 Y CA 2.310 60.376 58.100 -0.057 0.000 1.135 147 Y CB -0.250 38.169 38.460 -0.070 0.000 0.970 147 Y HN 0.160 nan 8.280 nan 0.000 0.498 148 R N -0.084 120.335 120.500 -0.134 0.000 2.073 148 R HA -0.157 4.184 4.340 0.002 0.000 0.234 148 R C 2.355 178.581 176.300 -0.123 0.000 1.134 148 R CA 2.007 57.864 56.100 -0.405 0.000 0.952 148 R CB -0.589 29.324 30.300 -0.645 0.000 0.850 148 R HN 0.389 nan 8.270 nan 0.000 0.433 149 L N 0.522 121.702 121.223 -0.072 0.000 2.083 149 L HA -0.215 4.127 4.340 0.002 0.000 0.209 149 L C 2.537 179.391 176.870 -0.026 0.000 1.083 149 L CA 1.407 56.233 54.840 -0.022 0.000 0.752 149 L CB -0.441 41.608 42.059 -0.016 0.000 0.899 149 L HN 0.300 nan 8.230 nan 0.000 0.433 150 Q N -0.767 119.000 119.800 -0.056 0.000 2.049 150 Q HA -0.141 4.201 4.340 0.002 0.000 0.198 150 Q C 2.403 178.353 176.000 -0.083 0.000 0.971 150 Q CA 1.185 56.950 55.803 -0.063 0.000 0.833 150 Q CB -0.044 28.655 28.738 -0.064 0.000 0.896 150 Q HN 0.475 nan 8.270 nan 0.000 0.434 151 M N 0.485 119.992 119.600 -0.155 0.000 2.117 151 M HA -0.122 4.359 4.480 0.002 0.000 0.262 151 M C 2.387 178.681 176.300 -0.010 0.000 1.065 151 M CA 1.590 56.807 55.300 -0.137 0.000 1.114 151 M CB -0.600 31.841 32.600 -0.266 0.000 1.361 151 M HN 0.201 nan 8.290 nan 0.000 0.408 152 S N -0.423 115.329 115.700 0.087 0.000 2.496 152 S HA -0.001 4.470 4.470 0.002 0.000 0.224 152 S C 0.708 175.324 174.600 0.027 0.000 0.996 152 S CA 0.110 58.364 58.200 0.090 0.000 0.927 152 S CB -0.238 63.094 63.200 0.220 0.000 0.774 152 S HN 0.445 nan 8.310 nan 0.000 0.524 153 K N 1.096 121.502 120.400 0.010 0.000 3.077 153 K HA -0.143 4.179 4.320 0.002 0.000 0.264 153 K C 0.165 176.765 176.600 0.001 0.000 1.008 153 K CA 0.328 56.612 56.287 -0.004 0.000 0.740 153 K CB -2.537 29.956 32.500 -0.011 0.000 1.273 153 K HN 0.661 nan 8.250 nan 0.000 0.477 154 A N 0.972 123.799 122.820 0.011 0.000 2.584 154 A HA -0.033 4.289 4.320 0.002 0.000 0.239 154 A C 1.172 178.750 177.584 -0.010 0.000 1.043 154 A CA 0.691 52.733 52.037 0.008 0.000 0.756 154 A CB 0.253 19.261 19.000 0.013 0.000 0.963 154 A HN 0.421 nan 8.150 nan 0.000 0.511 155 K N 0.915 121.308 120.400 -0.011 0.000 2.314 155 K HA 0.326 4.648 4.320 0.002 0.000 0.198 155 K C 0.498 177.078 176.600 -0.034 0.000 1.045 155 K CA 1.241 57.516 56.287 -0.021 0.000 0.988 155 K CB 0.280 32.773 32.500 -0.011 0.000 0.783 155 K HN 0.879 nan 8.250 nan 0.000 0.484 156 A N 0.331 123.134 122.820 -0.029 0.000 2.572 156 A HA 0.647 4.969 4.320 0.002 0.000 0.295 156 A C -1.684 175.883 177.584 -0.030 0.000 1.072 156 A CA -0.678 51.334 52.037 -0.041 0.000 0.691 156 A CB 1.165 20.152 19.000 -0.022 0.000 1.291 156 A HN 0.143 nan 8.150 nan 0.000 0.404 157 I N 1.327 121.872 120.570 -0.041 0.000 2.647 157 I HA 0.664 4.835 4.170 0.002 0.000 0.295 157 I C -1.520 174.642 176.117 0.075 0.000 1.078 157 I CA -0.934 60.378 61.300 0.020 0.000 1.048 157 I CB 2.082 40.111 38.000 0.048 0.000 1.239 157 I HN 0.402 nan 8.210 nan 0.000 0.421 158 V N 7.009 126.968 119.914 0.075 0.000 2.409 158 V HA 0.905 5.027 4.120 0.002 0.000 0.291 158 V C -0.086 176.062 176.094 0.090 0.000 1.020 158 V CA -0.291 62.047 62.300 0.064 0.000 0.848 158 V CB 0.925 32.683 31.823 -0.108 0.000 0.990 158 V HN 0.842 nan 8.190 nan 0.000 0.430 159 A N 3.453 126.359 122.820 0.144 0.000 2.594 159 A HA 1.005 5.326 4.320 0.002 0.000 0.291 159 A C -0.090 177.453 177.584 -0.067 0.000 1.105 159 A CA -0.028 52.040 52.037 0.051 0.000 0.694 159 A CB 1.886 20.949 19.000 0.104 0.000 1.291 159 A HN 1.062 nan 8.150 nan 0.000 0.410 160 G N -1.022 107.721 108.800 -0.095 0.000 3.107 160 G HA2 0.493 4.454 3.960 0.002 0.000 0.232 160 G HA3 0.493 4.454 3.960 0.002 0.000 0.232 160 G C -0.360 174.437 174.900 -0.173 0.000 1.339 160 G CA 0.035 45.061 45.100 -0.122 0.000 1.033 160 G HN 0.467 nan 8.290 nan 0.000 0.567 161 D N -0.188 120.135 120.400 -0.129 0.000 2.178 161 D HA -0.069 4.572 4.640 0.002 0.000 0.201 161 D C 2.210 178.450 176.300 -0.100 0.000 0.980 161 D CA 1.055 54.978 54.000 -0.129 0.000 0.842 161 D CB 0.065 40.821 40.800 -0.074 0.000 0.948 161 D HN 0.432 nan 8.370 nan 0.000 0.472 162 E N -0.135 120.025 120.200 -0.067 0.000 2.153 162 E HA -0.116 4.235 4.350 0.002 0.000 0.194 162 E C 2.032 178.604 176.600 -0.047 0.000 0.988 162 E CA 0.873 57.247 56.400 -0.043 0.000 0.811 162 E CB 0.045 29.730 29.700 -0.025 0.000 0.746 162 E HN 0.377 nan 8.360 nan 0.000 0.466 163 V N -2.116 117.760 119.914 -0.064 0.000 3.432 163 V HA 0.154 4.275 4.120 0.002 0.000 0.298 163 V C 1.590 177.653 176.094 -0.051 0.000 1.464 163 V CA -0.009 62.268 62.300 -0.037 0.000 1.046 163 V CB -0.359 31.463 31.823 -0.001 0.000 0.887 163 V HN 0.194 nan 8.190 nan 0.000 0.441 164 I N -0.071 120.392 120.570 -0.178 0.000 2.335 164 I HA -0.174 3.997 4.170 0.002 0.000 0.251 164 I C 2.414 178.493 176.117 -0.063 0.000 1.129 164 I CA 1.933 63.055 61.300 -0.296 0.000 1.402 164 I CB -1.183 36.326 38.000 -0.818 0.000 1.069 164 I HN 0.283 nan 8.210 nan 0.000 0.424 165 Q N 0.667 120.432 119.800 -0.059 0.000 2.167 165 Q HA -0.136 4.205 4.340 0.002 0.000 0.202 165 Q C 2.227 178.253 176.000 0.043 0.000 0.970 165 Q CA 1.331 57.136 55.803 0.004 0.000 0.855 165 Q CB -0.115 28.613 28.738 -0.015 0.000 0.911 165 Q HN 0.613 nan 8.270 nan 0.000 0.438 166 E N -0.035 120.186 120.200 0.034 0.000 2.047 166 E HA -0.147 4.204 4.350 0.002 0.000 0.191 166 E C 2.185 178.834 176.600 0.081 0.000 0.987 166 E CA 1.173 57.601 56.400 0.046 0.000 0.799 166 E CB -0.095 29.623 29.700 0.030 0.000 0.752 166 E HN 0.186 nan 8.360 nan 0.000 0.449 167 V N 2.363 122.355 119.914 0.130 0.000 2.295 167 V HA -0.233 3.888 4.120 0.002 0.000 0.246 167 V C 1.782 177.991 176.094 0.192 0.000 1.049 167 V CA 2.065 64.481 62.300 0.193 0.000 1.024 167 V CB -0.524 31.519 31.823 0.366 0.000 0.648 167 V HN 0.103 nan 8.190 nan 0.000 0.447 168 D N -0.338 120.210 120.400 0.246 0.000 2.263 168 D HA -0.123 4.519 4.640 0.002 0.000 0.208 168 D C 2.194 178.561 176.300 0.110 0.000 0.971 168 D CA 1.395 55.517 54.000 0.204 0.000 0.867 168 D CB -0.233 40.725 40.800 0.263 0.000 0.929 168 D HN 0.388 nan 8.370 nan 0.000 0.492 169 T N -0.458 114.148 114.554 0.087 0.000 2.904 169 T HA -0.062 4.290 4.350 0.002 0.000 0.267 169 T C 1.881 176.609 174.700 0.047 0.000 1.059 169 T CA 1.259 63.393 62.100 0.057 0.000 1.137 169 T CB 0.236 69.132 68.868 0.046 0.000 0.879 169 T HN 0.196 nan 8.240 nan 0.000 0.467 170 V N -1.683 118.260 119.914 0.050 0.000 3.556 170 V HA 0.631 4.752 4.120 0.002 0.000 0.287 170 V C 2.266 178.376 176.094 0.026 0.000 1.422 170 V CA 0.318 62.639 62.300 0.035 0.000 1.038 170 V CB -0.555 31.289 31.823 0.035 0.000 0.850 170 V HN 0.265 nan 8.190 nan 0.000 0.437 171 A N 2.298 125.136 122.820 0.030 0.000 1.978 171 A HA -0.169 4.153 4.320 0.002 0.000 0.220 171 A C 2.480 180.057 177.584 -0.012 0.000 1.170 171 A CA 2.434 54.472 52.037 0.001 0.000 0.636 171 A CB -0.873 18.117 19.000 -0.016 0.000 0.810 171 A HN 1.058 nan 8.150 nan 0.000 0.448 172 S N -0.166 115.534 115.700 -0.000 0.000 2.442 172 S HA -0.127 4.345 4.470 0.002 0.000 0.236 172 S C 1.148 175.746 174.600 -0.004 0.000 1.007 172 S CA 1.327 59.525 58.200 -0.004 0.000 0.965 172 S CB -0.363 62.840 63.200 0.004 0.000 0.773 172 S HN 0.688 nan 8.310 nan 0.000 0.504 173 E N -0.155 120.045 120.200 -0.000 0.000 2.444 173 E HA 0.201 4.552 4.350 0.002 0.000 0.191 173 E C -0.765 175.832 176.600 -0.006 0.000 1.041 173 E CA -0.307 56.093 56.400 -0.000 0.000 0.883 173 E CB 0.260 29.964 29.700 0.007 0.000 1.024 173 E HN 0.468 nan 8.360 nan 0.000 0.470 174 C N 2.294 121.587 119.300 -0.013 0.000 2.621 174 C HA 0.225 4.687 4.460 0.002 0.000 0.272 174 C C -1.143 173.831 174.990 -0.025 0.000 1.119 174 C CA -1.428 57.579 59.018 -0.019 0.000 1.593 174 C CB 0.248 27.975 27.740 -0.022 0.000 1.749 174 C HN 0.310 nan 8.230 nan 0.000 0.420 175 P HA -0.081 nan 4.420 nan 0.000 0.222 175 P C 1.270 178.555 177.300 -0.025 0.000 1.147 175 P CA 1.305 64.392 63.100 -0.022 0.000 0.790 175 P CB 0.252 31.942 31.700 -0.016 0.000 0.780 176 S N -0.438 115.247 115.700 -0.025 0.000 2.461 176 S HA 0.004 4.475 4.470 0.002 0.000 0.228 176 S C 0.943 175.523 174.600 -0.033 0.000 1.005 176 S CA -0.156 58.029 58.200 -0.025 0.000 0.942 176 S CB -0.633 62.556 63.200 -0.019 0.000 0.776 176 S HN 0.087 nan 8.310 nan 0.000 0.514 177 L N 2.880 124.078 121.223 -0.043 0.000 2.385 177 L HA 0.262 4.603 4.340 0.002 0.000 0.281 177 L C 1.066 177.887 176.870 -0.080 0.000 1.106 177 L CA 0.225 55.028 54.840 -0.063 0.000 0.856 177 L CB 0.382 42.398 42.059 -0.071 0.000 1.186 177 L HN -0.031 nan 8.230 nan 0.000 0.453 178 R N 4.283 124.735 120.500 -0.080 0.000 2.225 178 R HA 0.314 4.655 4.340 0.002 0.000 0.194 178 R C -0.064 176.170 176.300 -0.110 0.000 0.949 178 R CA -0.065 55.987 56.100 -0.081 0.000 1.088 178 R CB 0.510 30.779 30.300 -0.051 0.000 1.106 178 R HN 0.482 nan 8.270 nan 0.000 0.566 179 I N 2.677 123.178 120.570 -0.114 0.000 2.404 179 I HA 0.301 4.472 4.170 0.002 0.000 0.293 179 I C -0.894 175.089 176.117 -0.222 0.000 0.992 179 I CA -0.556 60.666 61.300 -0.130 0.000 1.149 179 I CB 1.817 39.781 38.000 -0.060 0.000 1.315 179 I HN 0.101 nan 8.210 nan 0.000 0.446 180 K N 7.214 127.401 120.400 -0.355 0.000 2.483 180 K HA 0.555 4.876 4.320 0.002 0.000 0.256 180 K C -1.005 175.483 176.600 -0.186 0.000 0.961 180 K CA -0.582 55.314 56.287 -0.653 0.000 0.873 180 K CB 2.498 33.947 32.500 -1.752 0.000 1.107 180 K HN 0.444 nan 8.250 nan 0.000 0.432 181 L N 4.635 125.947 121.223 0.148 0.000 2.305 181 L HA 0.409 4.751 4.340 0.002 0.000 0.284 181 L C -1.168 175.995 176.870 0.488 0.000 1.013 181 L CA -1.225 53.799 54.840 0.306 0.000 0.819 181 L CB 1.300 43.477 42.059 0.196 0.000 1.227 181 L HN 0.475 nan 8.230 nan 0.000 0.417 182 L N 5.589 127.095 121.223 0.472 0.000 2.307 182 L HA 0.481 4.822 4.340 0.002 0.000 0.284 182 L C -0.792 176.170 176.870 0.153 0.000 1.023 182 L CA -0.181 54.801 54.840 0.235 0.000 0.810 182 L CB 1.805 43.931 42.059 0.111 0.000 1.231 182 L HN 0.256 nan 8.230 nan 0.000 0.423 183 V N 4.986 124.928 119.914 0.048 0.000 2.294 183 V HA 0.748 4.870 4.120 0.002 0.000 0.272 183 V C -0.021 176.084 176.094 0.018 0.000 1.027 183 V CA -0.011 62.325 62.300 0.059 0.000 0.823 183 V CB 0.381 32.185 31.823 -0.031 0.000 1.030 183 V HN 0.881 nan 8.190 nan 0.000 0.457 184 S N 2.854 118.577 115.700 0.038 0.000 2.611 184 S HA 0.330 4.801 4.470 0.002 0.000 0.270 184 S C 0.068 174.681 174.600 0.020 0.000 1.131 184 S CA -0.542 57.660 58.200 0.004 0.000 0.826 184 S CB 1.900 65.069 63.200 -0.051 0.000 1.095 184 S HN 0.598 nan 8.310 nan 0.000 0.461 185 E N 1.198 121.405 120.200 0.013 0.000 2.478 185 E HA 0.151 4.503 4.350 0.002 0.000 0.194 185 E C -0.186 176.418 176.600 0.008 0.000 1.045 185 E CA 0.553 56.963 56.400 0.016 0.000 0.868 185 E CB 0.101 29.812 29.700 0.019 0.000 0.885 185 E HN 0.439 nan 8.360 nan 0.000 0.505 186 K N 0.421 120.817 120.400 -0.007 0.000 2.156 186 K HA 0.418 4.739 4.320 0.002 0.000 0.250 186 K C 0.016 176.605 176.600 -0.018 0.000 0.955 186 K CA -0.467 55.811 56.287 -0.015 0.000 0.855 186 K CB 2.074 34.554 32.500 -0.033 0.000 1.101 186 K HN -0.216 nan 8.250 nan 0.000 0.434 187 S N 0.207 115.904 115.700 -0.005 0.000 2.654 187 S HA 0.451 4.922 4.470 0.002 0.000 0.283 187 S C -1.158 173.442 174.600 -0.001 0.000 1.180 187 S CA -0.597 57.612 58.200 0.014 0.000 1.021 187 S CB 0.823 64.042 63.200 0.031 0.000 1.018 187 S HN 0.682 nan 8.310 nan 0.000 0.532 188 C N 2.387 121.710 119.300 0.040 0.000 2.716 188 C HA 0.601 5.062 4.460 0.002 0.000 0.366 188 C C -0.080 175.034 174.990 0.207 0.000 1.073 188 C CA -0.233 58.820 59.018 0.058 0.000 1.260 188 C CB 0.007 27.664 27.740 -0.137 0.000 1.755 188 C HN 1.025 nan 8.230 nan 0.000 0.475 189 D N 2.298 122.800 120.400 0.171 0.000 2.488 189 D HA 0.410 5.051 4.640 0.002 0.000 0.238 189 D C 1.531 177.971 176.300 0.233 0.000 1.138 189 D CA 0.794 54.892 54.000 0.164 0.000 0.873 189 D CB 0.326 41.190 40.800 0.106 0.000 1.183 189 D HN 2.396 nan 8.370 nan 0.000 0.458 190 G N 0.306 109.194 108.800 0.146 0.000 2.199 190 G HA2 -0.220 3.741 3.960 0.002 0.000 0.254 190 G HA3 -0.220 3.741 3.960 0.002 0.000 0.254 190 G C 0.104 174.972 174.900 -0.054 0.000 0.982 190 G CA 0.343 45.466 45.100 0.037 0.000 0.632 190 G HN 0.749 nan 8.290 nan 0.000 0.529 191 W N 0.946 122.259 121.300 0.021 0.000 2.469 191 W HA 0.753 5.414 4.660 0.002 0.000 0.320 191 W C 0.663 177.202 176.519 0.034 0.000 1.086 191 W CA -0.994 56.368 57.345 0.028 0.000 1.211 191 W CB 0.761 30.239 29.460 0.029 0.000 1.298 191 W HN 0.059 nan 8.180 nan 0.000 0.525 192 L N 3.516 124.877 121.223 0.230 0.000 2.395 192 L HA 0.192 4.533 4.340 0.002 0.000 0.269 192 L C 0.699 177.703 176.870 0.224 0.000 1.133 192 L CA -0.568 54.376 54.840 0.174 0.000 0.812 192 L CB 0.394 42.524 42.059 0.118 0.000 1.125 192 L HN 0.392 nan 8.230 nan 0.000 0.452 193 N N 1.867 120.663 118.700 0.159 0.000 2.521 193 N HA -0.006 4.735 4.740 0.002 0.000 0.236 193 N C 0.568 176.164 175.510 0.144 0.000 1.067 193 N CA -0.046 53.093 53.050 0.147 0.000 0.939 193 N CB 0.416 38.956 38.487 0.089 0.000 1.201 193 N HN 0.524 nan 8.380 nan 0.000 0.511 194 F N 4.501 124.490 119.950 0.066 0.000 2.091 194 F HA -0.189 4.339 4.527 0.002 0.000 0.299 194 F C 1.754 177.573 175.800 0.031 0.000 1.103 194 F CA 1.731 59.759 58.000 0.046 0.000 1.228 194 F CB 0.259 39.286 39.000 0.046 0.000 0.984 194 F HN 0.455 nan 8.300 nan 0.000 0.477 195 K N -0.141 120.298 120.400 0.065 0.000 2.057 195 K HA -0.184 4.137 4.320 0.002 0.000 0.207 195 K C 2.377 178.909 176.600 -0.113 0.000 1.049 195 K CA 1.612 57.875 56.287 -0.040 0.000 0.931 195 K CB -0.360 32.176 32.500 0.061 0.000 0.714 195 K HN 0.053 nan 8.250 nan 0.000 0.440 196 K N 1.252 121.617 120.400 -0.058 0.000 2.057 196 K HA -0.053 4.268 4.320 0.002 0.000 0.207 196 K C 2.056 178.597 176.600 -0.099 0.000 1.049 196 K CA 1.070 57.323 56.287 -0.056 0.000 0.931 196 K CB -0.560 31.930 32.500 -0.016 0.000 0.714 196 K HN 0.211 nan 8.250 nan 0.000 0.440 197 L N 0.041 121.183 121.223 -0.135 0.000 2.109 197 L HA -0.034 4.308 4.340 0.002 0.000 0.207 197 L C 2.556 179.289 176.870 -0.227 0.000 1.086 197 L CA 0.979 55.731 54.840 -0.147 0.000 0.760 197 L CB -0.447 41.539 42.059 -0.121 0.000 0.910 197 L HN 0.225 nan 8.230 nan 0.000 0.437 198 L N 0.427 121.404 121.223 -0.410 0.000 2.013 198 L HA -0.251 4.091 4.340 0.002 0.000 0.212 198 L C 2.156 178.905 176.870 -0.201 0.000 1.073 198 L CA 1.912 56.498 54.840 -0.422 0.000 0.753 198 L CB -0.607 41.063 42.059 -0.647 0.000 0.890 198 L HN 0.269 nan 8.230 nan 0.000 0.432 199 N N -0.417 118.193 118.700 -0.151 0.000 2.331 199 N HA -0.135 4.607 4.740 0.002 0.000 0.180 199 N C 1.693 177.162 175.510 -0.068 0.000 1.019 199 N CA 1.160 54.158 53.050 -0.086 0.000 0.881 199 N CB -0.135 38.312 38.487 -0.067 0.000 0.972 199 N HN 0.517 nan 8.380 nan 0.000 0.435 200 E N 0.337 120.493 120.200 -0.074 0.000 2.208 200 E HA 0.080 4.431 4.350 0.002 0.000 0.193 200 E C 0.483 177.054 176.600 -0.048 0.000 0.988 200 E CA 0.289 56.657 56.400 -0.053 0.000 0.828 200 E CB 0.076 29.747 29.700 -0.049 0.000 0.763 200 E HN 0.294 nan 8.360 nan 0.000 0.478 201 A N 1.257 124.038 122.820 -0.064 0.000 2.425 201 A HA 0.157 4.479 4.320 0.002 0.000 0.242 201 A C 0.344 177.909 177.584 -0.032 0.000 1.077 201 A CA -0.170 51.837 52.037 -0.049 0.000 0.781 201 A CB 0.722 19.679 19.000 -0.072 0.000 1.020 201 A HN 0.099 nan 8.150 nan 0.000 0.494 202 S N -0.247 115.444 115.700 -0.016 0.000 2.568 202 S HA 0.187 4.659 4.470 0.002 0.000 0.282 202 S C 1.474 176.066 174.600 -0.012 0.000 1.338 202 S CA 0.270 58.463 58.200 -0.011 0.000 1.045 202 S CB 0.211 63.408 63.200 -0.005 0.000 0.873 202 S HN 1.197 nan 8.310 nan 0.000 0.516 203 T N 1.080 115.627 114.554 -0.012 0.000 3.148 203 T HA 0.160 4.511 4.350 0.002 0.000 0.253 203 T C 0.425 175.117 174.700 -0.014 0.000 1.134 203 T CA 0.022 62.118 62.100 -0.005 0.000 1.051 203 T CB -0.350 68.517 68.868 -0.001 0.000 0.959 203 T HN 0.475 nan 8.240 nan 0.000 0.525 204 T N 2.645 117.176 114.554 -0.038 0.000 2.772 204 T HA 0.353 4.704 4.350 0.002 0.000 0.288 204 T C -1.115 173.494 174.700 -0.151 0.000 0.994 204 T CA -0.642 61.395 62.100 -0.105 0.000 0.951 204 T CB 1.066 69.854 68.868 -0.133 0.000 0.933 204 T HN 0.420 nan 8.240 nan 0.000 0.447 205 H N 2.586 121.492 119.070 -0.273 0.000 2.637 205 H HA 0.329 4.886 4.556 0.002 0.000 0.363 205 H C -0.970 174.152 175.328 -0.343 0.000 1.131 205 H CA -0.644 55.233 56.048 -0.286 0.000 1.183 205 H CB 1.175 30.875 29.762 -0.103 0.000 1.637 205 H HN 0.695 nan 8.280 nan 0.000 0.531 206 H N 3.101 121.804 119.070 -0.612 0.000 2.761 206 H HA 0.130 4.688 4.556 0.002 0.000 0.284 206 H C 0.249 175.283 175.328 -0.490 0.000 1.105 206 H CA -0.226 55.581 56.048 -0.403 0.000 1.352 206 H CB 0.199 29.795 29.762 -0.277 0.000 1.423 206 H HN 0.423 nan 8.280 nan 0.000 0.464 207 C N 4.929 124.166 119.300 -0.106 0.000 2.596 207 C HA 0.038 4.499 4.460 0.002 0.000 0.414 207 C C 0.825 175.811 174.990 -0.008 0.000 1.396 207 C CA -0.543 58.492 59.018 0.028 0.000 1.698 207 C CB -1.084 26.685 27.740 0.048 0.000 2.572 207 C HN 0.626 nan 8.230 nan 0.000 0.604 208 V N 7.482 127.420 119.914 0.041 0.000 2.694 208 V HA 0.026 4.147 4.120 0.002 0.000 0.306 208 V C 0.944 176.997 176.094 -0.068 0.000 1.054 208 V CA 0.681 62.979 62.300 -0.004 0.000 1.161 208 V CB 0.484 32.325 31.823 0.031 0.000 0.916 208 V HN 0.820 nan 8.190 nan 0.000 0.490 209 E N 2.907 123.064 120.200 -0.071 0.000 2.110 209 E HA 0.089 4.441 4.350 0.002 0.000 0.300 209 E C 0.393 176.922 176.600 -0.118 0.000 1.278 209 E CA -0.251 56.096 56.400 -0.088 0.000 1.365 209 E CB 0.068 29.734 29.700 -0.057 0.000 1.283 209 E HN 0.911 nan 8.360 nan 0.000 0.490 210 T N -1.262 113.157 114.554 -0.226 0.000 2.928 210 T HA 0.200 4.551 4.350 0.002 0.000 0.305 210 T C 0.843 175.436 174.700 -0.178 0.000 1.035 210 T CA -0.738 61.154 62.100 -0.348 0.000 1.145 210 T CB 1.416 69.663 68.868 -1.035 0.000 0.963 210 T HN 0.232 nan 8.240 nan 0.000 0.545 211 G N 1.481 110.252 108.800 -0.049 0.000 2.441 211 G HA2 0.332 4.293 3.960 0.002 0.000 0.243 211 G HA3 0.332 4.293 3.960 0.002 0.000 0.243 211 G C 1.104 176.107 174.900 0.172 0.000 1.281 211 G CA -0.313 44.824 45.100 0.063 0.000 0.854 211 G HN 1.010 nan 8.290 nan 0.000 0.560 212 S N 1.135 116.949 115.700 0.189 0.000 2.400 212 S HA -0.185 4.286 4.470 0.002 0.000 0.232 212 S C 1.620 176.356 174.600 0.227 0.000 1.025 212 S CA 1.485 59.837 58.200 0.253 0.000 0.993 212 S CB -0.112 63.192 63.200 0.174 0.000 0.808 212 S HN 0.689 nan 8.310 nan 0.000 0.478 213 Q N 0.549 120.454 119.800 0.175 0.000 2.247 213 Q HA 0.297 4.638 4.340 0.002 0.000 0.211 213 Q C 0.167 176.257 176.000 0.150 0.000 0.861 213 Q CA -0.222 55.663 55.803 0.137 0.000 0.949 213 Q CB 0.429 29.234 28.738 0.113 0.000 1.115 213 Q HN 0.703 nan 8.270 nan 0.000 0.507 214 E N 0.853 121.194 120.200 0.234 0.000 2.398 214 E HA 0.271 4.623 4.350 0.002 0.000 0.263 214 E C -0.657 176.082 176.600 0.231 0.000 1.046 214 E CA -0.324 56.226 56.400 0.251 0.000 0.908 214 E CB 0.723 30.605 29.700 0.303 0.000 0.963 214 E HN 0.194 nan 8.360 nan 0.000 0.431 215 A N 3.302 126.183 122.820 0.103 0.000 2.520 215 A HA 0.066 4.387 4.320 0.002 0.000 0.245 215 A C 0.730 178.210 177.584 -0.172 0.000 1.072 215 A CA 0.560 52.573 52.037 -0.039 0.000 0.761 215 A CB 0.729 19.701 19.000 -0.046 0.000 1.004 215 A HN 0.635 nan 8.150 nan 0.000 0.499 216 S N 1.080 116.506 115.700 -0.457 0.000 2.613 216 S HA 0.549 5.020 4.470 0.002 0.000 0.235 216 S C 0.475 174.638 174.600 -0.728 0.000 1.073 216 S CA 0.887 58.616 58.200 -0.784 0.000 0.899 216 S CB 0.015 62.487 63.200 -1.213 0.000 0.818 216 S HN 1.858 nan 8.310 nan 0.000 0.484 217 A N 0.673 123.113 122.820 -0.635 0.000 2.549 217 A HA 0.751 5.072 4.320 0.002 0.000 0.297 217 A C -1.592 175.787 177.584 -0.340 0.000 1.061 217 A CA -0.606 50.934 52.037 -0.828 0.000 0.690 217 A CB 1.071 19.380 19.000 -1.152 0.000 1.287 217 A HN 0.373 nan 8.150 nan 0.000 0.402 218 I N 1.407 121.773 120.570 -0.340 0.000 2.418 218 I HA 0.399 4.571 4.170 0.002 0.000 0.287 218 I C -1.492 174.520 176.117 -0.176 0.000 1.008 218 I CA -0.363 60.836 61.300 -0.169 0.000 1.104 218 I CB 1.629 39.514 38.000 -0.190 0.000 1.264 218 I HN 0.661 nan 8.210 nan 0.000 0.438 219 Y N 5.227 125.542 120.300 0.024 0.000 2.364 219 Y HA 0.451 5.002 4.550 0.002 0.000 0.340 219 Y C -0.204 175.753 175.900 0.096 0.000 0.975 219 Y CA -0.512 57.673 58.100 0.143 0.000 1.089 219 Y CB 1.566 40.123 38.460 0.163 0.000 1.192 219 Y HN 0.327 nan 8.280 nan 0.000 0.454 220 F N 2.045 122.141 119.950 0.243 0.000 2.443 220 F HA 0.188 4.717 4.527 0.003 0.000 0.353 220 F C 1.252 177.172 175.800 0.201 0.000 1.101 220 F CA -0.284 57.842 58.000 0.209 0.000 1.226 220 F CB 0.901 40.015 39.000 0.189 0.000 1.140 220 F HN 0.514 nan 8.300 nan 0.000 0.557 221 T N -0.619 114.105 114.554 0.283 0.000 2.889 221 T HA 0.339 4.690 4.350 0.002 0.000 0.340 221 T C 0.290 175.087 174.700 0.162 0.000 1.145 221 T CA -0.773 61.436 62.100 0.180 0.000 0.986 221 T CB 1.144 70.084 68.868 0.120 0.000 1.461 221 T HN 0.493 nan 8.240 nan 0.000 0.541 227 L N 2.052 123.244 121.223 -0.052 0.000 2.490 227 L HA 0.238 4.579 4.340 0.002 0.000 0.274 227 L C -1.741 175.143 176.870 0.024 0.000 1.201 227 L CA -0.993 53.819 54.840 -0.047 0.000 0.869 227 L CB 0.819 42.882 42.059 0.007 0.000 1.123 227 L HN 0.221 nan 8.230 nan 0.000 0.484 228 P HA 0.097 nan 4.420 nan 0.000 0.268 228 P C -1.103 176.396 177.300 0.331 0.000 1.204 228 P CA 0.077 63.313 63.100 0.227 0.000 0.768 228 P CB 0.540 32.449 31.700 0.349 0.000 0.842 229 K N 2.263 122.753 120.400 0.150 0.000 2.123 229 K HA 0.501 4.822 4.320 0.002 0.000 0.248 229 K C 0.028 176.606 176.600 -0.038 0.000 0.969 229 K CA -0.757 55.541 56.287 0.019 0.000 0.882 229 K CB 1.146 33.483 32.500 -0.272 0.000 1.080 229 K HN 0.422 nan 8.250 nan 0.000 0.441 230 M N 2.178 121.684 119.600 -0.158 0.000 2.094 230 M HA 0.203 4.684 4.480 0.002 0.000 0.348 230 M C -0.449 175.887 176.300 0.060 0.000 1.267 230 M CA -0.417 54.672 55.300 -0.352 0.000 1.125 230 M CB 1.143 33.467 32.600 -0.460 0.000 1.527 230 M HN 0.584 nan 8.290 nan 0.000 0.447 231 A N 3.953 126.845 122.820 0.120 0.000 2.294 231 A HA 0.301 4.623 4.320 0.002 0.000 0.316 231 A C -0.152 177.548 177.584 0.195 0.000 1.359 231 A CA -0.529 51.689 52.037 0.301 0.000 0.956 231 A CB 0.132 19.250 19.000 0.196 0.000 1.155 231 A HN 0.804 nan 8.150 nan 0.000 0.544 232 E N 2.880 123.137 120.200 0.096 0.000 2.259 232 E HA 0.269 4.621 4.350 0.002 0.000 0.281 232 E C -0.833 175.706 176.600 -0.101 0.000 1.027 232 E CA -0.392 55.983 56.400 -0.041 0.000 0.838 232 E CB 0.492 30.116 29.700 -0.127 0.000 1.066 232 E HN 0.784 nan 8.360 nan 0.000 0.401 233 H N 1.509 120.570 119.070 -0.015 0.000 2.621 233 H HA 0.278 4.835 4.556 0.002 0.000 0.360 233 H C -0.198 175.057 175.328 -0.122 0.000 1.163 233 H CA -0.569 55.462 56.048 -0.028 0.000 1.194 233 H CB 2.039 31.803 29.762 0.002 0.000 1.649 233 H HN 0.644 nan 8.280 nan 0.000 0.532 234 S N 0.785 116.525 115.700 0.067 0.000 2.745 234 S HA 0.171 4.642 4.470 0.002 0.000 0.292 234 S C 0.826 175.434 174.600 0.013 0.000 1.133 234 S CA -0.643 57.562 58.200 0.008 0.000 0.998 234 S CB 0.708 63.956 63.200 0.079 0.000 1.087 234 S HN 0.551 nan 8.310 nan 0.000 0.551 235 Y N 1.124 121.540 120.300 0.192 0.000 2.207 235 Y HA -0.145 4.406 4.550 0.002 0.000 0.287 235 Y C 3.187 179.287 175.900 0.332 0.000 1.156 235 Y CA 1.888 60.174 58.100 0.309 0.000 1.182 235 Y CB -0.610 38.057 38.460 0.345 0.000 0.979 235 Y HN 0.847 nan 8.280 nan 0.000 0.521 236 S N -1.171 114.710 115.700 0.302 0.000 2.414 236 S HA -0.146 4.325 4.470 0.002 0.000 0.227 236 S C 2.121 176.715 174.600 -0.010 0.000 1.022 236 S CA 0.754 58.952 58.200 -0.004 0.000 0.958 236 S CB -0.894 62.281 63.200 -0.041 0.000 0.797 236 S HN 0.465 nan 8.310 nan 0.000 0.493 237 S N 1.735 117.483 115.700 0.080 0.000 2.423 237 S HA 0.128 4.599 4.470 0.002 0.000 0.231 237 S C 1.730 176.382 174.600 0.087 0.000 1.014 237 S CA 0.720 58.992 58.200 0.121 0.000 0.965 237 S CB -0.653 62.699 63.200 0.253 0.000 0.785 237 S HN 0.543 nan 8.310 nan 0.000 0.495 238 L N 0.454 121.716 121.223 0.066 0.000 2.276 238 L HA 0.341 4.683 4.340 0.002 0.000 0.194 238 L C 2.995 179.911 176.870 0.076 0.000 1.099 238 L CA 0.856 55.696 54.840 -0.001 0.000 0.800 238 L CB -1.098 40.965 42.059 0.006 0.000 0.994 238 L HN 0.453 nan 8.230 nan 0.000 0.475 239 G N -0.119 108.820 108.800 0.232 0.000 2.396 239 G HA2 -0.170 3.791 3.960 0.002 0.000 0.214 239 G HA3 -0.170 3.791 3.960 0.002 0.000 0.214 239 G C 1.502 176.606 174.900 0.341 0.000 1.166 239 G CA 0.277 45.691 45.100 0.524 0.000 0.793 239 G HN 0.101 nan 8.290 nan 0.000 0.533 240 L N 0.735 121.769 121.223 -0.315 0.000 2.109 240 L HA 0.196 4.538 4.340 0.002 0.000 0.207 240 L C 2.585 179.352 176.870 -0.171 0.000 1.086 240 L CA 1.893 56.373 54.840 -0.600 0.000 0.760 240 L CB -0.463 41.031 42.059 -0.941 0.000 0.910 240 L HN 0.174 nan 8.230 nan 0.000 0.437 241 K N 0.249 120.585 120.400 -0.106 0.000 2.063 241 K HA -0.097 4.225 4.320 0.002 0.000 0.208 241 K C 1.970 178.564 176.600 -0.010 0.000 1.048 241 K CA 1.818 58.056 56.287 -0.081 0.000 0.928 241 K CB -0.656 31.796 32.500 -0.080 0.000 0.713 241 K HN 0.360 nan 8.250 nan 0.000 0.442 242 A N 0.746 123.610 122.820 0.073 0.000 1.898 242 A HA -0.157 4.164 4.320 0.002 0.000 0.216 242 A C 2.157 179.885 177.584 0.240 0.000 1.181 242 A CA 1.857 53.992 52.037 0.164 0.000 0.620 242 A CB -0.576 18.540 19.000 0.194 0.000 0.819 242 A HN 0.430 nan 8.150 nan 0.000 0.442 243 K N -0.975 119.589 120.400 0.273 0.000 2.063 243 K HA -0.122 4.199 4.320 0.002 0.000 0.208 243 K C 2.005 178.701 176.600 0.160 0.000 1.048 243 K CA 1.841 58.286 56.287 0.262 0.000 0.928 243 K CB -0.229 32.424 32.500 0.255 0.000 0.713 243 K HN 0.508 nan 8.250 nan 0.000 0.442 244 M N 0.446 120.096 119.600 0.083 0.000 2.254 244 M HA -0.119 4.362 4.480 0.002 0.000 0.265 244 M C 1.038 177.377 176.300 0.065 0.000 1.066 244 M CA 1.243 56.568 55.300 0.043 0.000 1.123 244 M CB 0.175 32.758 32.600 -0.027 0.000 1.388 244 M HN 0.031 nan 8.290 nan 0.000 0.425 245 D N 0.787 121.239 120.400 0.087 0.000 2.347 245 D HA 0.122 4.763 4.640 0.002 0.000 0.213 245 D C 0.416 176.896 176.300 0.299 0.000 0.985 245 D CA 0.267 54.355 54.000 0.147 0.000 0.879 245 D CB -0.083 40.786 40.800 0.115 0.000 0.919 245 D HN 0.194 nan 8.370 nan 0.000 0.526 246 A N -0.016 122.952 122.820 0.247 0.000 2.548 246 A HA 0.411 4.733 4.320 0.002 0.000 0.247 246 A C 1.543 179.246 177.584 0.199 0.000 1.067 246 A CA 0.870 53.055 52.037 0.247 0.000 0.757 246 A CB -0.092 19.062 19.000 0.256 0.000 0.996 246 A HN 0.342 nan 8.150 nan 0.000 0.504 247 G N 1.619 110.498 108.800 0.132 0.000 2.195 247 G HA2 -0.274 3.688 3.960 0.002 0.000 0.224 247 G HA3 -0.274 3.688 3.960 0.002 0.000 0.224 247 G C 0.959 175.906 174.900 0.079 0.000 0.990 247 G CA 0.737 45.882 45.100 0.075 0.000 0.639 247 G HN 1.611 nan 8.290 nan 0.000 0.514 248 W N 1.872 123.205 121.300 0.055 0.000 2.350 248 W HA -0.126 4.536 4.660 0.002 0.000 0.289 248 W C 1.714 178.260 176.519 0.045 0.000 1.215 248 W CA 2.360 59.729 57.345 0.040 0.000 1.236 248 W CB -1.588 27.887 29.460 0.024 0.000 1.130 248 W HN 0.687 nan 8.180 nan 0.000 0.541 249 T N -1.817 112.211 114.554 -0.878 0.000 3.051 249 T HA 0.193 4.544 4.350 0.002 0.000 0.269 249 T C 1.855 176.367 174.700 -0.313 0.000 1.127 249 T CA 1.748 63.328 62.100 -0.866 0.000 1.107 249 T CB -0.773 67.588 68.868 -0.844 0.000 0.898 249 T HN 0.656 nan 8.240 nan 0.000 0.517 250 G N 0.469 109.179 108.800 -0.150 0.000 2.195 250 G HA2 -0.206 3.756 3.960 0.002 0.000 0.246 250 G HA3 -0.206 3.756 3.960 0.002 0.000 0.246 250 G C -0.105 174.771 174.900 -0.039 0.000 0.984 250 G CA -0.026 45.042 45.100 -0.054 0.000 0.633 250 G HN 0.728 nan 8.290 nan 0.000 0.525 251 L N 1.322 122.503 121.223 -0.070 0.000 2.485 251 L HA 0.594 4.936 4.340 0.002 0.000 0.275 251 L C 0.532 177.414 176.870 0.020 0.000 1.207 251 L CA 0.660 55.489 54.840 -0.020 0.000 0.855 251 L CB 0.691 42.734 42.059 -0.027 0.000 1.114 251 L HN 0.450 nan 8.230 nan 0.000 0.485 252 Q N 2.441 122.263 119.800 0.038 0.000 2.495 252 Q HA 0.554 4.896 4.340 0.002 0.000 0.283 252 Q C 0.842 176.867 176.000 0.042 0.000 1.097 252 Q CA -0.307 55.524 55.803 0.047 0.000 0.836 252 Q CB 1.618 30.384 28.738 0.048 0.000 1.426 252 Q HN 0.792 nan 8.270 nan 0.000 0.459 253 A N 0.423 123.256 122.820 0.022 0.000 1.917 253 A HA -0.178 4.143 4.320 0.002 0.000 0.219 253 A C 1.658 179.233 177.584 -0.015 0.000 1.182 253 A CA 2.293 54.298 52.037 -0.054 0.000 0.633 253 A CB -0.637 18.319 19.000 -0.073 0.000 0.819 253 A HN 0.656 nan 8.150 nan 0.000 0.448 254 S N -0.490 115.232 115.700 0.037 0.000 2.679 254 S HA 0.210 4.681 4.470 0.002 0.000 0.233 254 S C -0.414 174.254 174.600 0.113 0.000 0.951 254 S CA -0.441 57.801 58.200 0.071 0.000 0.973 254 S CB -0.270 62.972 63.200 0.071 0.000 0.778 254 S HN 0.403 nan 8.310 nan 0.000 0.477 255 D N 1.180 121.649 120.400 0.115 0.000 2.442 255 D HA 0.564 5.206 4.640 0.002 0.000 0.254 255 D C -0.400 176.005 176.300 0.174 0.000 1.069 255 D CA -0.618 53.468 54.000 0.144 0.000 1.017 255 D CB 1.119 41.983 40.800 0.106 0.000 1.172 255 D HN 0.213 nan 8.370 nan 0.000 0.561 256 I N 0.663 121.343 120.570 0.183 0.000 2.433 256 I HA 0.335 4.507 4.170 0.002 0.000 0.292 256 I C -0.326 175.877 176.117 0.142 0.000 1.001 256 I CA -0.552 60.861 61.300 0.189 0.000 1.119 256 I CB 1.789 39.902 38.000 0.188 0.000 1.289 256 I HN 0.038 nan 8.210 nan 0.000 0.438 257 M N 6.224 125.918 119.600 0.156 0.000 2.294 257 M HA 0.385 4.866 4.480 0.002 0.000 0.335 257 M C -1.860 174.582 176.300 0.235 0.000 1.079 257 M CA -0.434 54.950 55.300 0.140 0.000 0.982 257 M CB 1.785 34.438 32.600 0.088 0.000 1.651 257 M HN 0.639 nan 8.290 nan 0.000 0.437 258 W N 5.570 126.857 121.300 -0.021 0.000 2.278 258 W HA 0.466 5.127 4.660 0.002 0.000 0.317 258 W C -1.247 175.262 176.519 -0.016 0.000 1.030 258 W CA -0.618 56.726 57.345 -0.001 0.000 1.334 258 W CB 1.037 30.447 29.460 -0.084 0.000 1.215 258 W HN 0.539 nan 8.180 nan 0.000 0.405 259 T N 7.615 122.273 114.554 0.173 0.000 2.743 259 T HA 0.437 4.788 4.350 0.002 0.000 0.293 259 T C 0.107 174.736 174.700 -0.118 0.000 0.945 259 T CA -0.207 61.883 62.100 -0.016 0.000 1.030 259 T CB 0.520 69.427 68.868 0.066 0.000 0.912 259 T HN 0.168 nan 8.240 nan 0.000 0.483 260 I N 3.277 123.659 120.570 -0.312 0.000 2.307 260 I HA 0.494 4.666 4.170 0.002 0.000 0.289 260 I C 0.386 176.498 176.117 -0.009 0.000 1.021 260 I CA -0.168 60.966 61.300 -0.275 0.000 1.224 260 I CB 0.954 38.608 38.000 -0.577 0.000 1.376 260 I HN 0.509 nan 8.210 nan 0.000 0.470 261 S N 4.785 120.484 115.700 -0.002 0.000 2.543 261 S HA 0.149 4.620 4.470 0.002 0.000 0.274 261 S C -1.201 173.114 174.600 -0.476 0.000 1.149 261 S CA -0.849 57.287 58.200 -0.106 0.000 0.866 261 S CB 1.685 64.893 63.200 0.014 0.000 1.111 261 S HN 0.667 nan 8.310 nan 0.000 0.457 262 D N 2.083 121.736 120.400 -1.245 0.000 2.488 262 D HA 0.024 4.666 4.640 0.002 0.000 0.238 262 D C 1.635 177.361 176.300 -0.958 0.000 1.138 262 D CA 0.825 54.046 54.000 -1.298 0.000 0.873 262 D CB 1.395 40.886 40.800 -2.182 0.000 1.183 262 D HN 0.747 nan 8.370 nan 0.000 0.458 263 T N 0.527 114.612 114.554 -0.780 0.000 3.007 263 T HA -0.032 4.320 4.350 0.002 0.000 0.270 263 T C 1.710 176.035 174.700 -0.624 0.000 1.107 263 T CA 0.799 62.257 62.100 -1.070 0.000 1.118 263 T CB -0.109 67.868 68.868 -1.484 0.000 0.889 263 T HN 0.404 nan 8.240 nan 0.000 0.506 264 G N -0.177 108.394 108.800 -0.382 0.000 2.744 264 G HA2 0.167 4.129 3.960 0.002 0.000 0.211 264 G HA3 0.167 4.129 3.960 0.002 0.000 0.211 264 G C 0.007 175.116 174.900 0.349 0.000 1.143 264 G CA -0.521 44.597 45.100 0.030 0.000 0.788 264 G HN 0.424 nan 8.290 nan 0.000 0.534 265 W N -0.444 120.903 121.300 0.078 0.000 2.449 265 W HA 0.499 5.160 4.660 0.002 0.000 0.331 265 W C 1.074 177.585 176.519 -0.014 0.000 1.119 265 W CA -2.238 55.135 57.345 0.047 0.000 1.240 265 W CB 0.732 30.161 29.460 -0.051 0.000 1.251 265 W HN -0.136 nan 8.180 nan 0.000 0.576 266 I N 2.339 122.884 120.570 -0.041 0.000 2.423 266 I HA -0.319 3.853 4.170 0.002 0.000 0.254 266 I C 2.235 178.268 176.117 -0.141 0.000 1.151 266 I CA 0.998 62.007 61.300 -0.484 0.000 1.421 266 I CB -0.037 37.517 38.000 -0.743 0.000 1.079 266 I HN 0.381 nan 8.210 nan 0.000 0.431 267 L N 1.174 122.397 121.223 0.001 0.000 2.089 267 L HA -0.318 4.024 4.340 0.002 0.000 0.213 267 L C 1.984 178.887 176.870 0.055 0.000 1.079 267 L CA 2.239 57.112 54.840 0.054 0.000 0.758 267 L CB -1.057 41.084 42.059 0.137 0.000 0.891 267 L HN 0.309 nan 8.230 nan 0.000 0.433 268 N N -0.707 118.016 118.700 0.039 0.000 2.120 268 N HA -0.212 4.529 4.740 0.002 0.000 0.188 268 N C 1.773 177.275 175.510 -0.014 0.000 1.024 268 N CA 1.669 54.668 53.050 -0.085 0.000 0.852 268 N CB -0.292 37.940 38.487 -0.426 0.000 1.003 268 N HN 0.474 nan 8.380 nan 0.000 0.424 269 I N 0.117 120.754 120.570 0.111 0.000 2.353 269 I HA -0.074 4.097 4.170 0.002 0.000 0.248 269 I C 1.735 177.862 176.117 0.017 0.000 1.119 269 I CA 0.969 62.363 61.300 0.157 0.000 1.417 269 I CB -0.060 38.128 38.000 0.313 0.000 1.078 269 I HN 0.188 nan 8.210 nan 0.000 0.421 270 L N -1.204 120.018 121.223 -0.001 0.000 2.072 270 L HA -0.197 4.144 4.340 0.002 0.000 0.205 270 L C 2.445 179.342 176.870 0.046 0.000 1.079 270 L CA 1.116 55.954 54.840 -0.003 0.000 0.752 270 L CB -0.471 41.579 42.059 -0.015 0.000 0.906 270 L HN 0.368 nan 8.230 nan 0.000 0.436 271 C N -2.481 116.853 119.300 0.057 0.000 2.464 271 C HA 0.068 4.529 4.460 0.002 0.000 0.348 271 C C 3.141 178.155 174.990 0.039 0.000 1.367 271 C CA 0.510 59.573 59.018 0.076 0.000 2.012 271 C CB 0.439 28.240 27.740 0.102 0.000 2.434 271 C HN 0.461 nan 8.230 nan 0.000 0.536 272 S N -0.242 115.493 115.700 0.057 0.000 2.428 272 S HA 0.025 4.497 4.470 0.002 0.000 0.230 272 S C 1.526 176.120 174.600 -0.011 0.000 1.014 272 S CA 1.332 59.598 58.200 0.110 0.000 0.957 272 S CB -0.091 63.286 63.200 0.296 0.000 0.784 272 S HN 0.626 nan 8.310 nan 0.000 0.499 273 L N -0.683 120.484 121.223 -0.093 0.000 2.541 273 L HA 0.374 4.716 4.340 0.002 0.000 0.187 273 L C 2.206 178.882 176.870 -0.325 0.000 1.098 273 L CA 0.375 54.968 54.840 -0.412 0.000 0.846 273 L CB -0.187 41.777 42.059 -0.158 0.000 1.151 273 L HN 0.252 nan 8.230 nan 0.000 0.492 274 M N -0.151 119.348 119.600 -0.169 0.000 2.156 274 M HA -0.170 4.311 4.480 0.002 0.000 0.264 274 M C 2.041 178.482 176.300 0.236 0.000 1.067 274 M CA 1.813 57.053 55.300 -0.100 0.000 1.131 274 M CB -0.294 32.133 32.600 -0.290 0.000 1.368 274 M HN 0.282 nan 8.290 nan 0.000 0.416 275 E N 1.082 121.369 120.200 0.144 0.000 2.023 275 E HA -0.153 4.198 4.350 0.002 0.000 0.196 275 E C -0.830 175.898 176.600 0.214 0.000 1.003 275 E CA 1.869 58.381 56.400 0.186 0.000 0.809 275 E CB -1.264 28.503 29.700 0.112 0.000 0.755 275 E HN 0.228 nan 8.360 nan 0.000 0.449 276 P HA -0.136 nan 4.420 nan 0.000 0.217 276 P C 0.852 178.436 177.300 0.474 0.000 1.150 276 P CA 1.340 64.568 63.100 0.214 0.000 0.832 276 P CB -0.308 31.458 31.700 0.111 0.000 0.787 277 W N 0.403 121.951 121.300 0.414 0.000 2.467 277 W HA 0.213 4.875 4.660 0.002 0.000 0.275 277 W C 2.574 179.438 176.519 0.576 0.000 1.239 277 W CA 0.331 58.008 57.345 0.553 0.000 1.266 277 W CB -1.902 27.998 29.460 0.733 0.000 1.112 277 W HN -0.004 nan 8.180 nan 0.000 0.576 278 A N 0.092 123.396 122.820 0.805 0.000 1.972 278 A HA -0.119 4.203 4.320 0.002 0.000 0.219 278 A C 1.967 179.905 177.584 0.591 0.000 1.169 278 A CA 1.361 53.780 52.037 0.636 0.000 0.635 278 A CB -0.753 18.570 19.000 0.537 0.000 0.810 278 A HN 0.275 nan 8.150 nan 0.000 0.446 279 L N -1.872 119.580 121.223 0.381 0.000 2.585 279 L HA 0.282 4.623 4.340 0.002 0.000 0.226 279 L C 1.587 178.223 176.870 -0.390 0.000 1.113 279 L CA 0.469 55.420 54.840 0.185 0.000 0.876 279 L CB 0.052 42.189 42.059 0.129 0.000 1.072 279 L HN 0.517 nan 8.230 nan 0.000 0.468 280 G N 0.540 108.766 108.800 -0.957 0.000 2.143 280 G HA2 -0.262 3.700 3.960 0.002 0.000 0.248 280 G HA3 -0.262 3.700 3.960 0.002 0.000 0.248 280 G C 0.333 174.941 174.900 -0.487 0.000 0.991 280 G CA 0.166 44.083 45.100 -1.972 0.000 0.689 280 G HN 0.496 nan 8.290 nan 0.000 0.522 281 A N -1.166 121.661 122.820 0.013 0.000 2.252 281 A HA 0.718 5.039 4.320 0.002 0.000 0.305 281 A C 0.917 178.759 177.584 0.429 0.000 1.097 281 A CA 0.281 52.436 52.037 0.196 0.000 0.849 281 A CB 0.970 20.061 19.000 0.152 0.000 1.142 281 A HN 1.587 nan 8.150 nan 0.000 0.499 282 C N 0.381 119.881 119.300 0.334 0.000 2.388 282 C HA 0.652 5.114 4.460 0.002 0.000 0.362 282 C C 0.858 176.037 174.990 0.315 0.000 1.266 282 C CA 0.042 59.269 59.018 0.348 0.000 2.028 282 C CB -0.266 27.669 27.740 0.324 0.000 2.440 282 C HN 0.845 nan 8.230 nan 0.000 0.547 283 T N 4.938 119.676 114.554 0.307 0.000 2.837 283 T HA 0.507 4.859 4.350 0.002 0.000 0.285 283 T C -0.982 173.786 174.700 0.114 0.000 0.984 283 T CA -0.181 61.995 62.100 0.128 0.000 1.049 283 T CB 0.270 69.065 68.868 -0.123 0.000 0.947 283 T HN 0.554 nan 8.240 nan 0.000 0.472 284 F N 5.460 125.366 119.950 -0.073 0.000 2.427 284 F HA 0.665 5.193 4.527 0.002 0.000 0.346 284 F C -0.938 174.691 175.800 -0.284 0.000 1.120 284 F CA -0.607 57.227 58.000 -0.277 0.000 1.033 284 F CB 1.118 39.828 39.000 -0.483 0.000 1.126 284 F HN 0.264 nan 8.300 nan 0.000 0.462 285 V N 5.971 125.420 119.914 -0.774 0.000 2.483 285 V HA 0.264 4.386 4.120 0.002 0.000 0.297 285 V C -0.803 174.831 176.094 -0.766 0.000 1.027 285 V CA -0.756 61.261 62.300 -0.470 0.000 0.855 285 V CB 1.330 32.875 31.823 -0.462 0.000 0.995 285 V HN 0.668 nan 8.190 nan 0.000 0.424 286 H N 4.063 122.838 119.070 -0.491 0.000 2.488 286 H HA 0.337 4.895 4.556 0.002 0.000 0.322 286 H C 0.581 175.800 175.328 -0.181 0.000 1.078 286 H CA -0.550 55.195 56.048 -0.505 0.000 1.260 286 H CB 2.086 31.676 29.762 -0.286 0.000 1.425 286 H HN 0.624 nan 8.280 nan 0.000 0.471 287 L N 5.738 126.890 121.223 -0.118 0.000 2.051 287 L HA -0.177 4.164 4.340 0.002 0.000 0.214 287 L C 1.323 178.344 176.870 0.251 0.000 1.076 287 L CA 1.413 56.357 54.840 0.174 0.000 0.758 287 L CB -0.521 41.597 42.059 0.099 0.000 0.890 287 L HN 0.870 nan 8.230 nan 0.000 0.433 288 L N -0.232 121.232 121.223 0.401 0.000 3.854 288 L HA -0.227 4.114 4.340 0.002 0.000 0.460 288 L C -1.159 175.787 176.870 0.128 0.000 1.228 288 L CA 0.091 55.011 54.840 0.134 0.000 0.760 288 L CB -1.206 40.884 42.059 0.051 0.000 1.597 288 L HN 0.352 nan 8.230 nan 0.000 0.852 289 P HA -0.129 nan 4.420 nan 0.000 0.215 289 P C 0.347 177.703 177.300 0.093 0.000 1.153 289 P CA 1.346 64.507 63.100 0.101 0.000 0.853 289 P CB 0.109 31.861 31.700 0.087 0.000 0.788 290 K N -0.294 120.156 120.400 0.085 0.000 2.323 290 K HA 0.296 4.617 4.320 0.002 0.000 0.259 290 K C -0.417 176.249 176.600 0.109 0.000 0.947 290 K CA -0.697 55.644 56.287 0.091 0.000 0.819 290 K CB 0.578 33.112 32.500 0.056 0.000 1.109 290 K HN -0.068 nan 8.250 nan 0.000 0.429 291 F N 3.250 123.183 119.950 -0.029 0.000 2.651 291 F HA 0.139 4.667 4.527 0.002 0.000 0.369 291 F C 0.366 176.133 175.800 -0.056 0.000 1.187 291 F CA -0.880 57.090 58.000 -0.049 0.000 1.335 291 F CB -0.452 38.523 39.000 -0.042 0.000 1.707 291 F HN 0.540 nan 8.300 nan 0.000 0.637 292 D N 4.040 124.369 120.400 -0.119 0.000 2.317 292 D HA 0.113 4.755 4.640 0.002 0.000 0.252 292 D C -1.630 174.539 176.300 -0.217 0.000 1.174 292 D CA -2.248 51.684 54.000 -0.114 0.000 0.866 292 D CB 1.723 42.479 40.800 -0.073 0.000 1.127 292 D HN 0.157 nan 8.370 nan 0.000 0.467 293 P HA -0.134 nan 4.420 nan 0.000 0.218 293 P C 1.632 178.847 177.300 -0.141 0.000 1.149 293 P CA 0.269 63.260 63.100 -0.183 0.000 0.817 293 P CB 0.449 32.097 31.700 -0.085 0.000 0.785 294 L N -0.100 121.058 121.223 -0.108 0.000 2.056 294 L HA -0.097 4.245 4.340 0.002 0.000 0.207 294 L C 2.378 179.140 176.870 -0.181 0.000 1.078 294 L CA 1.574 56.341 54.840 -0.122 0.000 0.749 294 L CB -1.216 40.795 42.059 -0.079 0.000 0.901 294 L HN -0.245 nan 8.230 nan 0.000 0.433 295 V N 0.015 119.830 119.914 -0.164 0.000 2.287 295 V HA -0.347 3.775 4.120 0.002 0.000 0.248 295 V C 2.492 178.475 176.094 -0.184 0.000 1.053 295 V CA 2.329 64.519 62.300 -0.184 0.000 1.027 295 V CB -0.599 31.094 31.823 -0.216 0.000 0.646 295 V HN 0.432 nan 8.190 nan 0.000 0.447 296 I N -0.589 119.871 120.570 -0.183 0.000 2.163 296 I HA -0.263 3.908 4.170 0.002 0.000 0.243 296 I C 2.407 178.511 176.117 -0.021 0.000 1.085 296 I CA 1.529 62.794 61.300 -0.058 0.000 1.347 296 I CB -0.449 37.371 38.000 -0.301 0.000 1.044 296 I HN 0.314 nan 8.210 nan 0.000 0.408 297 L N 0.974 122.137 121.223 -0.099 0.000 2.046 297 L HA -0.185 4.156 4.340 0.002 0.000 0.208 297 L C 2.379 179.175 176.870 -0.124 0.000 1.077 297 L CA 1.891 56.696 54.840 -0.057 0.000 0.747 297 L CB -0.641 41.398 42.059 -0.033 0.000 0.896 297 L HN 0.061 nan 8.230 nan 0.000 0.432 298 K N -1.250 118.966 120.400 -0.306 0.000 2.097 298 K HA -0.137 4.185 4.320 0.002 0.000 0.206 298 K C 1.883 178.440 176.600 -0.071 0.000 1.049 298 K CA 1.886 57.970 56.287 -0.338 0.000 0.933 298 K CB -0.345 31.948 32.500 -0.345 0.000 0.717 298 K HN 0.407 nan 8.250 nan 0.000 0.442 299 T N 1.876 116.416 114.554 -0.024 0.000 2.708 299 T HA -0.100 4.251 4.350 0.002 0.000 0.266 299 T C 1.836 176.520 174.700 -0.026 0.000 1.037 299 T CA 1.019 63.131 62.100 0.021 0.000 1.146 299 T CB -0.189 68.568 68.868 -0.185 0.000 0.865 299 T HN 0.107 nan 8.240 nan 0.000 0.435 300 L N 0.816 122.042 121.223 0.006 0.000 2.079 300 L HA -0.094 4.247 4.340 0.002 0.000 0.210 300 L C 2.768 179.693 176.870 0.093 0.000 1.081 300 L CA 1.083 55.908 54.840 -0.026 0.000 0.752 300 L CB -0.453 41.462 42.059 -0.241 0.000 0.896 300 L HN 0.268 nan 8.230 nan 0.000 0.433 301 S N -1.559 114.241 115.700 0.168 0.000 2.496 301 S HA -0.039 4.432 4.470 0.002 0.000 0.224 301 S C 1.803 176.450 174.600 0.079 0.000 0.996 301 S CA 1.027 59.364 58.200 0.228 0.000 0.927 301 S CB 0.107 63.516 63.200 0.349 0.000 0.774 301 S HN 0.374 nan 8.310 nan 0.000 0.524 302 S N -0.421 115.261 115.700 -0.031 0.000 2.540 302 S HA 0.383 4.855 4.470 0.002 0.000 0.222 302 S C -0.672 173.623 174.600 -0.509 0.000 1.008 302 S CA -0.365 57.691 58.200 -0.241 0.000 0.939 302 S CB 0.265 63.271 63.200 -0.323 0.000 0.865 302 S HN 0.520 nan 8.310 nan 0.000 0.499 303 Y N 1.350 121.504 120.300 -0.245 0.000 2.536 303 Y HA 0.425 4.977 4.550 0.002 0.000 0.347 303 Y C -2.546 173.142 175.900 -0.353 0.000 1.000 303 Y CA -2.498 55.368 58.100 -0.389 0.000 1.051 303 Y CB 1.132 39.100 38.460 -0.821 0.000 1.259 303 Y HN -0.156 nan 8.280 nan 0.000 0.468 304 P HA 0.174 nan 4.420 nan 0.000 0.225 304 P C -0.522 176.721 177.300 -0.095 0.000 1.768 304 P CA 0.478 63.370 63.100 -0.347 0.000 0.943 304 P CB -0.489 30.958 31.700 -0.422 0.000 1.936 305 I N 1.238 121.766 120.570 -0.070 0.000 2.352 305 I HA 0.133 4.304 4.170 0.002 0.000 0.290 305 I C 1.674 177.892 176.117 0.168 0.000 1.036 305 I CA -0.085 61.183 61.300 -0.054 0.000 1.336 305 I CB 1.164 39.029 38.000 -0.224 0.000 1.407 305 I HN -0.017 nan 8.210 nan 0.000 0.497 306 K N 2.830 123.342 120.400 0.186 0.000 2.276 306 K HA 0.199 4.520 4.320 0.002 0.000 0.198 306 K C 0.040 176.691 176.600 0.085 0.000 1.052 306 K CA 0.489 56.862 56.287 0.142 0.000 0.984 306 K CB 0.505 33.070 32.500 0.108 0.000 0.836 306 K HN 0.602 nan 8.250 nan 0.000 0.490 307 S N 0.701 116.446 115.700 0.075 0.000 2.536 307 S HA 0.500 4.972 4.470 0.002 0.000 0.287 307 S C -0.775 173.855 174.600 0.049 0.000 1.101 307 S CA -0.981 57.244 58.200 0.041 0.000 0.950 307 S CB 1.767 64.965 63.200 -0.004 0.000 1.056 307 S HN 0.271 nan 8.310 nan 0.000 0.481 308 M N 1.362 120.975 119.600 0.022 0.000 2.572 308 M HA 0.866 5.348 4.480 0.002 0.000 0.299 308 M C -1.329 174.942 176.300 -0.049 0.000 1.205 308 M CA -0.938 54.343 55.300 -0.031 0.000 0.876 308 M CB 2.063 34.599 32.600 -0.105 0.000 1.728 308 M HN 0.587 nan 8.290 nan 0.000 0.458 309 M N 2.254 121.791 119.600 -0.105 0.000 2.327 309 M HA 0.892 5.373 4.480 0.002 0.000 0.298 309 M C -1.320 174.899 176.300 -0.134 0.000 1.065 309 M CA 0.036 55.305 55.300 -0.052 0.000 0.916 309 M CB 2.193 34.784 32.600 -0.015 0.000 1.630 309 M HN 0.991 nan 8.290 nan 0.000 0.442 310 G N 2.284 111.045 108.800 -0.065 0.000 2.623 310 G HA2 0.774 4.735 3.960 0.002 0.000 0.290 310 G HA3 0.774 4.735 3.960 0.002 0.000 0.290 310 G C -1.640 173.279 174.900 0.031 0.000 1.437 310 G CA -0.430 44.609 45.100 -0.100 0.000 0.798 310 G HN 1.065 nan 8.290 nan 0.000 0.488 311 A N 0.272 123.113 122.820 0.034 0.000 2.448 311 A HA 0.567 4.889 4.320 0.002 0.000 0.239 311 A C -1.031 176.596 177.584 0.072 0.000 1.080 311 A CA -0.423 51.633 52.037 0.031 0.000 0.779 311 A CB 0.186 19.180 19.000 -0.010 0.000 1.026 311 A HN 0.358 nan 8.150 nan 0.000 0.499 312 P HA -0.159 nan 4.420 nan 0.000 0.218 312 P C 1.407 178.764 177.300 0.094 0.000 1.148 312 P CA 0.850 64.020 63.100 0.116 0.000 0.822 312 P CB 0.001 31.717 31.700 0.026 0.000 0.784 313 I N -0.602 119.996 120.570 0.048 0.000 2.315 313 I HA -0.218 3.953 4.170 0.002 0.000 0.251 313 I C 1.844 177.984 176.117 0.038 0.000 1.125 313 I CA 1.554 62.886 61.300 0.054 0.000 1.392 313 I CB -0.680 37.354 38.000 0.057 0.000 1.065 313 I HN -0.215 nan 8.210 nan 0.000 0.424 314 V N -0.081 119.812 119.914 -0.036 0.000 2.343 314 V HA -0.319 3.803 4.120 0.002 0.000 0.247 314 V C 2.229 178.093 176.094 -0.384 0.000 1.051 314 V CA 2.121 64.272 62.300 -0.248 0.000 1.036 314 V CB -1.087 30.460 31.823 -0.460 0.000 0.654 314 V HN 0.410 nan 8.190 nan 0.000 0.451 315 Y N 0.323 120.492 120.300 -0.220 0.000 2.200 315 Y HA -0.104 4.448 4.550 0.002 0.000 0.290 315 Y C 2.706 178.574 175.900 -0.053 0.000 1.137 315 Y CA 1.285 59.198 58.100 -0.312 0.000 1.163 315 Y CB -0.426 37.725 38.460 -0.514 0.000 0.988 315 Y HN 0.075 nan 8.280 nan 0.000 0.518 316 R N -0.368 120.205 120.500 0.122 0.000 2.081 316 R HA -0.181 4.161 4.340 0.002 0.000 0.235 316 R C 2.211 178.576 176.300 0.107 0.000 1.131 316 R CA 1.830 58.002 56.100 0.121 0.000 0.960 316 R CB -0.465 29.887 30.300 0.088 0.000 0.856 316 R HN 0.398 nan 8.270 nan 0.000 0.436 317 M N 0.469 120.108 119.600 0.065 0.000 2.117 317 M HA -0.172 4.309 4.480 0.002 0.000 0.262 317 M C 2.281 178.621 176.300 0.067 0.000 1.065 317 M CA 1.635 56.966 55.300 0.052 0.000 1.114 317 M CB -0.303 32.309 32.600 0.020 0.000 1.361 317 M HN 0.138 nan 8.290 nan 0.000 0.408 318 L N -0.069 121.202 121.223 0.079 0.000 2.083 318 L HA -0.192 4.150 4.340 0.002 0.000 0.209 318 L C 2.266 179.300 176.870 0.273 0.000 1.083 318 L CA 0.947 55.894 54.840 0.179 0.000 0.752 318 L CB -0.538 41.685 42.059 0.272 0.000 0.899 318 L HN 0.324 nan 8.230 nan 0.000 0.433 319 L N -0.733 120.677 121.223 0.311 0.000 2.275 319 L HA -0.175 4.166 4.340 0.002 0.000 0.215 319 L C 2.321 179.288 176.870 0.162 0.000 1.119 319 L CA 0.716 55.715 54.840 0.265 0.000 0.790 319 L CB -0.327 41.904 42.059 0.287 0.000 0.919 319 L HN 0.346 nan 8.230 nan 0.000 0.443 320 Q N -0.542 119.337 119.800 0.132 0.000 2.403 320 Q HA 0.076 4.417 4.340 0.002 0.000 0.203 320 Q C 0.368 176.421 176.000 0.088 0.000 0.932 320 Q CA 0.372 56.233 55.803 0.096 0.000 0.945 320 Q CB 0.353 29.138 28.738 0.079 0.000 1.045 320 Q HN 0.472 nan 8.270 nan 0.000 0.511 321 Q N 0.504 120.367 119.800 0.106 0.000 2.199 321 Q HA 0.099 4.440 4.340 0.002 0.000 0.232 321 Q C -0.270 175.798 176.000 0.113 0.000 0.969 321 Q CA -0.275 55.590 55.803 0.105 0.000 0.925 321 Q CB 0.577 29.381 28.738 0.109 0.000 1.198 321 Q HN -0.024 nan 8.270 nan 0.000 0.494 322 D N 1.503 121.976 120.400 0.123 0.000 2.455 322 D HA 0.050 4.691 4.640 0.002 0.000 0.234 322 D C 0.458 176.833 176.300 0.125 0.000 1.224 322 D CA 0.126 54.188 54.000 0.104 0.000 0.999 322 D CB -0.232 40.627 40.800 0.098 0.000 1.072 322 D HN 0.382 nan 8.370 nan 0.000 0.514 323 L N 2.195 123.468 121.223 0.084 0.000 2.650 323 L HA -0.053 4.288 4.340 0.002 0.000 0.235 323 L C 2.203 179.042 176.870 -0.053 0.000 1.149 323 L CA 0.273 55.136 54.840 0.037 0.000 0.887 323 L CB -0.376 41.673 42.059 -0.016 0.000 1.021 323 L HN 0.300 nan 8.230 nan 0.000 0.441 324 S N -2.301 113.375 115.700 -0.040 0.000 2.446 324 S HA -0.057 4.414 4.470 0.002 0.000 0.225 324 S C 1.886 176.424 174.600 -0.103 0.000 1.016 324 S CA 0.768 58.922 58.200 -0.078 0.000 0.943 324 S CB 0.068 63.232 63.200 -0.060 0.000 0.786 324 S HN 0.285 nan 8.310 nan 0.000 0.508 325 S N -0.232 115.410 115.700 -0.097 0.000 2.524 325 S HA 0.323 4.795 4.470 0.002 0.000 0.216 325 S C -0.651 173.700 174.600 -0.414 0.000 0.987 325 S CA -0.104 57.942 58.200 -0.257 0.000 0.909 325 S CB -0.114 62.911 63.200 -0.292 0.000 0.781 325 S HN 0.636 nan 8.310 nan 0.000 0.521 326 Y N 2.017 122.304 120.300 -0.021 0.000 2.490 326 Y HA 0.353 4.904 4.550 0.002 0.000 0.346 326 Y C -0.312 175.585 175.900 -0.006 0.000 1.023 326 Y CA -1.282 56.834 58.100 0.027 0.000 1.142 326 Y CB 0.296 38.813 38.460 0.095 0.000 1.126 326 Y HN -0.194 nan 8.280 nan 0.000 0.647 327 K N 1.434 121.826 120.400 -0.012 0.000 2.355 327 K HA 0.223 4.544 4.320 0.002 0.000 0.270 327 K C -0.379 176.191 176.600 -0.050 0.000 1.003 327 K CA -0.070 56.094 56.287 -0.204 0.000 0.957 327 K CB 0.265 32.669 32.500 -0.161 0.000 0.939 327 K HN 0.479 nan 8.250 nan 0.000 0.482 328 F N 0.061 120.037 119.950 0.043 0.000 2.646 328 F HA 0.318 4.847 4.527 0.002 0.000 0.336 328 F C -1.821 174.021 175.800 0.070 0.000 1.437 328 F CA -2.240 55.801 58.000 0.068 0.000 1.142 328 F CB 0.675 39.729 39.000 0.090 0.000 1.530 328 F HN 0.314 nan 8.300 nan 0.000 0.591 329 P HA -0.191 nan 4.420 nan 0.000 0.222 329 P C 1.137 178.529 177.300 0.153 0.000 1.147 329 P CA 1.538 64.695 63.100 0.095 0.000 0.790 329 P CB 0.181 31.912 31.700 0.053 0.000 0.780 330 H N -0.552 118.589 119.070 0.119 0.000 2.457 330 H HA 0.045 4.603 4.556 0.002 0.000 0.294 330 H C 0.730 176.132 175.328 0.124 0.000 1.064 330 H CA 0.142 56.252 56.048 0.104 0.000 1.330 330 H CB -0.508 29.306 29.762 0.086 0.000 1.395 330 H HN -0.012 nan 8.280 nan 0.000 0.541 331 L N 1.207 122.584 121.223 0.257 0.000 2.462 331 L HA 0.034 4.376 4.340 0.002 0.000 0.272 331 L C 0.563 177.532 176.870 0.164 0.000 1.166 331 L CA 0.791 55.764 54.840 0.222 0.000 0.880 331 L CB 0.840 43.087 42.059 0.314 0.000 1.142 331 L HN 0.331 nan 8.230 nan 0.000 0.473 332 Q N 2.340 122.204 119.800 0.106 0.000 2.471 332 Q HA 0.301 4.642 4.340 0.002 0.000 0.259 332 Q C -0.454 175.605 176.000 0.098 0.000 0.850 332 Q CA 0.030 55.881 55.803 0.080 0.000 0.981 332 Q CB 0.745 29.494 28.738 0.018 0.000 1.180 332 Q HN 0.646 nan 8.270 nan 0.000 0.571 333 N N 0.223 118.973 118.700 0.084 0.000 2.407 333 N HA 0.318 5.059 4.740 0.002 0.000 0.277 333 N C -1.480 174.072 175.510 0.070 0.000 0.995 333 N CA -0.151 52.931 53.050 0.054 0.000 0.903 333 N CB 1.912 40.392 38.487 -0.013 0.000 1.218 333 N HN 0.054 nan 8.380 nan 0.000 0.487 334 C N 2.023 121.371 119.300 0.080 0.000 2.340 334 C HA 0.633 5.094 4.460 0.002 0.000 0.323 334 C C 0.532 175.503 174.990 -0.030 0.000 1.260 334 C CA -0.865 58.198 59.018 0.075 0.000 1.464 334 C CB 0.236 28.037 27.740 0.102 0.000 2.156 334 C HN 0.536 nan 8.230 nan 0.000 0.476 335 V N 1.240 121.152 119.914 -0.003 0.000 2.960 335 V HA 0.972 5.094 4.120 0.002 0.000 0.315 335 V C -0.397 175.749 176.094 0.087 0.000 1.087 335 V CA -0.206 62.102 62.300 0.014 0.000 0.982 335 V CB 1.849 33.635 31.823 -0.062 0.000 1.039 335 V HN 0.759 nan 8.190 nan 0.000 0.437 336 T N 0.788 115.406 114.554 0.107 0.000 2.883 336 T HA 0.740 5.091 4.350 0.002 0.000 0.301 336 T C -1.588 173.181 174.700 0.115 0.000 1.158 336 T CA -0.097 62.071 62.100 0.114 0.000 1.007 336 T CB 1.823 70.701 68.868 0.016 0.000 1.186 336 T HN 1.461 nan 8.240 nan 0.000 0.499 337 V N 1.737 121.692 119.914 0.068 0.000 3.188 337 V HA 0.771 4.893 4.120 0.002 0.000 0.305 337 V C 0.637 176.696 176.094 -0.058 0.000 1.232 337 V CA 0.828 63.135 62.300 0.012 0.000 1.043 337 V CB 1.756 33.589 31.823 0.016 0.000 1.068 337 V HN 1.507 nan 8.190 nan 0.000 0.439 338 G N 3.074 111.805 108.800 -0.115 0.000 2.211 338 G HA2 -0.075 3.886 3.960 0.002 0.000 0.201 338 G HA3 -0.075 3.886 3.960 0.002 0.000 0.201 338 G C -0.074 174.702 174.900 -0.207 0.000 0.997 338 G CA 0.772 45.759 45.100 -0.189 0.000 0.652 338 G HN 1.606 nan 8.290 nan 0.000 0.500 339 E N -0.175 119.912 120.200 -0.189 0.000 2.392 339 E HA 0.549 4.900 4.350 0.002 0.000 0.281 339 E C -0.766 175.715 176.600 -0.199 0.000 1.088 339 E CA -0.257 56.015 56.400 -0.213 0.000 0.850 339 E CB 0.215 29.829 29.700 -0.143 0.000 1.267 339 E HN 0.151 nan 8.360 nan 0.000 0.438 340 S N 1.408 116.977 115.700 -0.219 0.000 2.549 340 S HA 0.163 4.634 4.470 0.002 0.000 0.283 340 S C -0.112 174.447 174.600 -0.068 0.000 1.320 340 S CA -0.513 57.602 58.200 -0.142 0.000 1.058 340 S CB 0.329 63.489 63.200 -0.067 0.000 0.882 340 S HN 0.419 nan 8.310 nan 0.000 0.498 341 L N 5.677 126.870 121.223 -0.050 0.000 2.342 341 L HA 0.323 4.664 4.340 0.002 0.000 0.285 341 L C -0.480 176.383 176.870 -0.012 0.000 1.095 341 L CA 0.104 54.922 54.840 -0.038 0.000 0.843 341 L CB -0.357 41.668 42.059 -0.056 0.000 1.201 341 L HN 0.556 nan 8.230 nan 0.000 0.445 342 L N 8.183 129.406 121.223 -0.000 0.000 2.540 342 L HA 0.028 4.370 4.340 0.002 0.000 0.276 342 L C -1.028 175.857 176.870 0.025 0.000 1.212 342 L CA -1.018 53.832 54.840 0.017 0.000 0.893 342 L CB 0.017 42.092 42.059 0.027 0.000 1.138 342 L HN 0.545 nan 8.230 nan 0.000 0.491 343 P HA -0.235 nan 4.420 nan 0.000 0.217 343 P C 1.490 178.822 177.300 0.052 0.000 1.148 343 P CA 1.136 64.263 63.100 0.046 0.000 0.828 343 P CB 0.162 31.890 31.700 0.047 0.000 0.783 344 E N -0.862 119.368 120.200 0.050 0.000 2.085 344 E HA -0.201 4.151 4.350 0.002 0.000 0.194 344 E C 1.786 178.434 176.600 0.080 0.000 0.994 344 E CA 2.209 58.645 56.400 0.060 0.000 0.801 344 E CB -1.847 27.886 29.700 0.055 0.000 0.743 344 E HN 0.318 nan 8.360 nan 0.000 0.453 345 T N 0.669 115.267 114.554 0.073 0.000 2.851 345 T HA 0.023 4.374 4.350 0.002 0.000 0.262 345 T C 1.858 176.626 174.700 0.112 0.000 1.043 345 T CA 1.131 63.288 62.100 0.095 0.000 1.140 345 T CB -0.507 68.391 68.868 0.050 0.000 0.872 345 T HN 0.278 nan 8.240 nan 0.000 0.446 346 L N 1.717 122.975 121.223 0.059 0.000 1.990 346 L HA -0.112 4.229 4.340 0.002 0.000 0.213 346 L C 2.424 179.379 176.870 0.142 0.000 1.072 346 L CA 2.012 56.895 54.840 0.071 0.000 0.755 346 L CB -0.588 41.497 42.059 0.044 0.000 0.889 346 L HN 0.092 nan 8.230 nan 0.000 0.432 347 E N -0.409 119.857 120.200 0.110 0.000 2.106 347 E HA -0.233 4.118 4.350 0.002 0.000 0.192 347 E C 2.061 178.733 176.600 0.121 0.000 0.984 347 E CA 1.226 57.688 56.400 0.103 0.000 0.806 347 E CB -0.477 29.266 29.700 0.073 0.000 0.750 347 E HN 0.547 nan 8.360 nan 0.000 0.458 348 N N -0.064 118.721 118.700 0.143 0.000 2.244 348 N HA -0.154 4.588 4.740 0.002 0.000 0.183 348 N C 1.443 177.075 175.510 0.203 0.000 1.016 348 N CA 1.175 54.314 53.050 0.148 0.000 0.866 348 N CB -0.412 38.165 38.487 0.151 0.000 0.980 348 N HN 0.399 nan 8.380 nan 0.000 0.430 349 W N 1.380 122.715 121.300 0.058 0.000 2.409 349 W HA -0.053 4.608 4.660 0.002 0.000 0.299 349 W C 1.772 178.332 176.519 0.068 0.000 1.203 349 W CA 0.707 58.102 57.345 0.082 0.000 1.298 349 W CB -0.133 29.363 29.460 0.060 0.000 1.127 349 W HN 0.077 nan 8.180 nan 0.000 0.528 350 R N 0.451 121.066 120.500 0.192 0.000 2.091 350 R HA -0.158 4.184 4.340 0.002 0.000 0.238 350 R C 2.559 178.847 176.300 -0.020 0.000 1.136 350 R CA 2.089 58.229 56.100 0.067 0.000 0.959 350 R CB -0.870 29.488 30.300 0.097 0.000 0.856 350 R HN 0.126 nan 8.270 nan 0.000 0.437 351 A N 0.636 123.457 122.820 0.002 0.000 1.877 351 A HA -0.190 4.131 4.320 0.002 0.000 0.216 351 A C 1.916 179.450 177.584 -0.082 0.000 1.186 351 A CA 1.290 53.312 52.037 -0.024 0.000 0.620 351 A CB -0.239 18.764 19.000 0.004 0.000 0.822 351 A HN 0.196 nan 8.150 nan 0.000 0.443 352 Q N -0.907 118.816 119.800 -0.129 0.000 2.269 352 Q HA -0.038 4.304 4.340 0.002 0.000 0.201 352 Q C 1.984 177.796 176.000 -0.312 0.000 0.946 352 Q CA 1.884 57.572 55.803 -0.191 0.000 0.877 352 Q CB -0.497 28.136 28.738 -0.174 0.000 0.963 352 Q HN 0.858 nan 8.270 nan 0.000 0.472 353 T N -4.874 109.430 114.554 -0.416 0.000 2.971 353 T HA 0.345 4.697 4.350 0.002 0.000 0.252 353 T C 1.383 175.927 174.700 -0.260 0.000 1.022 353 T CA 0.736 62.551 62.100 -0.475 0.000 0.980 353 T CB 0.583 68.969 68.868 -0.804 0.000 1.044 353 T HN 0.310 nan 8.240 nan 0.000 0.501 354 G N 1.584 110.277 108.800 -0.178 0.000 2.168 354 G HA2 -0.203 3.758 3.960 0.002 0.000 0.263 354 G HA3 -0.203 3.758 3.960 0.002 0.000 0.263 354 G C -0.104 174.790 174.900 -0.010 0.000 0.977 354 G CA 0.549 45.604 45.100 -0.074 0.000 0.659 354 G HN 0.668 nan 8.290 nan 0.000 0.533 355 L N 0.327 121.552 121.223 0.003 0.000 2.334 355 L HA 0.564 4.906 4.340 0.002 0.000 0.272 355 L C -0.328 176.713 176.870 0.284 0.000 1.020 355 L CA -1.271 53.669 54.840 0.168 0.000 0.812 355 L CB 1.247 43.501 42.059 0.326 0.000 1.264 355 L HN -0.073 nan 8.230 nan 0.000 0.439 356 D N 1.841 122.379 120.400 0.230 0.000 2.264 356 D HA 0.450 5.091 4.640 0.002 0.000 0.249 356 D C -0.283 176.103 176.300 0.144 0.000 1.070 356 D CA -0.005 54.107 54.000 0.186 0.000 0.912 356 D CB 2.162 43.034 40.800 0.120 0.000 1.193 356 D HN 0.225 nan 8.370 nan 0.000 0.427 357 I N 1.837 122.410 120.570 0.006 0.000 2.339 357 I HA 0.251 4.423 4.170 0.002 0.000 0.290 357 I C 0.503 176.573 176.117 -0.078 0.000 0.994 357 I CA -0.565 60.600 61.300 -0.225 0.000 1.191 357 I CB 1.029 38.670 38.000 -0.597 0.000 1.343 357 I HN -0.051 nan 8.210 nan 0.000 0.458 358 R N 5.188 125.680 120.500 -0.013 0.000 2.229 358 R HA 0.303 4.645 4.340 0.002 0.000 0.328 358 R C -0.255 176.132 176.300 0.146 0.000 1.009 358 R CA -0.516 55.644 56.100 0.101 0.000 0.864 358 R CB 1.513 31.914 30.300 0.169 0.000 1.085 358 R HN 0.575 nan 8.270 nan 0.000 0.453 359 E N 1.726 122.004 120.200 0.129 0.000 2.318 359 E HA 0.266 4.617 4.350 0.002 0.000 0.265 359 E C -0.760 175.917 176.600 0.129 0.000 1.069 359 E CA -0.404 56.063 56.400 0.111 0.000 0.893 359 E CB 1.024 30.765 29.700 0.068 0.000 1.076 359 E HN 0.639 nan 8.360 nan 0.000 0.414 360 S N 2.092 117.841 115.700 0.083 0.000 2.651 360 S HA 0.533 5.004 4.470 0.002 0.000 0.279 360 S C -1.451 173.175 174.600 0.043 0.000 1.148 360 S CA -0.858 57.315 58.200 -0.045 0.000 0.837 360 S CB 1.315 64.382 63.200 -0.222 0.000 1.138 360 S HN 0.598 nan 8.310 nan 0.000 0.478 361 Y N -0.322 119.885 120.300 -0.154 0.000 2.544 361 Y HA 0.758 5.309 4.550 0.002 0.000 0.342 361 Y C -0.303 175.524 175.900 -0.122 0.000 1.062 361 Y CA 0.343 58.364 58.100 -0.132 0.000 1.023 361 Y CB 1.362 39.762 38.460 -0.099 0.000 1.308 361 Y HN 1.398 nan 8.280 nan 0.000 0.457 362 G N 3.443 111.783 108.800 -0.766 0.000 2.341 362 G HA2 0.493 4.454 3.960 0.002 0.000 0.299 362 G HA3 0.493 4.454 3.960 0.002 0.000 0.299 362 G C -2.206 172.344 174.900 -0.584 0.000 1.274 362 G CA -0.504 44.151 45.100 -0.741 0.000 0.853 362 G HN 0.972 nan 8.290 nan 0.000 0.493 363 Q N -2.213 117.375 119.800 -0.354 0.000 2.648 363 Q HA 0.593 4.935 4.340 0.002 0.000 0.300 363 Q C 0.317 176.214 176.000 -0.172 0.000 0.954 363 Q CA -0.092 55.569 55.803 -0.237 0.000 0.757 363 Q CB 0.983 29.619 28.738 -0.171 0.000 1.482 363 Q HN 0.332 nan 8.270 nan 0.000 0.437 364 T N 0.604 115.075 114.554 -0.138 0.000 2.699 364 T HA -0.181 4.170 4.350 0.002 0.000 0.268 364 T C 0.958 175.606 174.700 -0.087 0.000 1.036 364 T CA 2.349 64.385 62.100 -0.106 0.000 1.147 364 T CB -0.177 68.671 68.868 -0.034 0.000 0.862 364 T HN 0.610 nan 8.240 nan 0.000 0.446 365 E N 0.573 120.604 120.200 -0.283 0.000 2.274 365 E HA -0.031 4.320 4.350 0.002 0.000 0.194 365 E C 2.261 178.608 176.600 -0.422 0.000 0.996 365 E CA 1.320 57.245 56.400 -0.791 0.000 0.840 365 E CB -0.059 28.931 29.700 -1.183 0.000 0.772 365 E HN 0.693 nan 8.360 nan 0.000 0.491 366 T N -4.090 110.366 114.554 -0.164 0.000 3.004 366 T HA 0.444 4.796 4.350 0.002 0.000 0.266 366 T C 1.242 175.986 174.700 0.074 0.000 0.986 366 T CA 0.054 62.118 62.100 -0.059 0.000 0.902 366 T CB 0.326 69.128 68.868 -0.111 0.000 1.118 366 T HN 0.229 nan 8.240 nan 0.000 0.522 367 G N 2.519 111.305 108.800 -0.023 0.000 2.566 367 G HA2 -0.238 3.724 3.960 0.002 0.000 0.280 367 G HA3 -0.238 3.724 3.960 0.002 0.000 0.280 367 G C -0.372 174.470 174.900 -0.097 0.000 1.225 367 G CA -0.105 44.943 45.100 -0.087 0.000 0.966 367 G HN 0.707 nan 8.290 nan 0.000 0.560 368 L N 1.437 122.590 121.223 -0.117 0.000 2.369 368 L HA 0.359 4.701 4.340 0.002 0.000 0.279 368 L C 1.589 178.387 176.870 -0.120 0.000 1.108 368 L CA 0.388 55.113 54.840 -0.192 0.000 0.852 368 L CB 1.031 42.910 42.059 -0.301 0.000 1.169 368 L HN 0.716 nan 8.230 nan 0.000 0.452 369 T N 0.508 115.021 114.554 -0.067 0.000 3.071 369 T HA 0.131 4.483 4.350 0.002 0.000 0.239 369 T C 0.238 174.998 174.700 0.099 0.000 0.997 369 T CA 0.228 62.414 62.100 0.142 0.000 1.134 369 T CB 0.377 69.271 68.868 0.042 0.000 0.928 369 T HN 0.527 nan 8.240 nan 0.000 0.453 370 C N 3.182 122.519 119.300 0.062 0.000 2.712 370 C HA 0.906 5.367 4.460 0.002 0.000 0.308 370 C C -0.695 174.221 174.990 -0.123 0.000 1.201 370 C CA -1.144 57.880 59.018 0.011 0.000 1.554 370 C CB 1.466 29.256 27.740 0.084 0.000 2.117 370 C HN 0.572 nan 8.230 nan 0.000 0.480 371 M N 0.563 120.051 119.600 -0.186 0.000 2.534 371 M HA 0.548 5.029 4.480 0.002 0.000 0.280 371 M C -1.773 174.461 176.300 -0.109 0.000 1.217 371 M CA -0.510 54.631 55.300 -0.265 0.000 0.893 371 M CB 1.047 33.192 32.600 -0.759 0.000 1.730 371 M HN 0.250 nan 8.290 nan 0.000 0.483 372 V N 2.886 122.818 119.914 0.030 0.000 2.353 372 V HA 0.331 4.453 4.120 0.002 0.000 0.264 372 V C 0.876 177.115 176.094 0.240 0.000 1.049 372 V CA -0.135 62.220 62.300 0.092 0.000 0.896 372 V CB 0.462 32.381 31.823 0.160 0.000 1.025 372 V HN 1.004 nan 8.190 nan 0.000 0.475 373 S N 4.080 119.899 115.700 0.198 0.000 2.624 373 S HA 0.251 4.722 4.470 0.002 0.000 0.263 373 S C 1.191 175.913 174.600 0.204 0.000 1.287 373 S CA -0.255 58.122 58.200 0.295 0.000 0.990 373 S CB 1.057 64.388 63.200 0.219 0.000 0.950 373 S HN 0.711 nan 8.310 nan 0.000 0.561 374 K N 0.280 120.781 120.400 0.169 0.000 2.147 374 K HA -0.114 4.207 4.320 0.002 0.000 0.205 374 K C 1.860 178.520 176.600 0.100 0.000 1.049 374 K CA 1.855 58.207 56.287 0.108 0.000 0.936 374 K CB -0.861 31.677 32.500 0.063 0.000 0.722 374 K HN 0.873 nan 8.250 nan 0.000 0.446 375 T N -1.276 113.339 114.554 0.102 0.000 3.085 375 T HA 0.105 4.456 4.350 0.002 0.000 0.263 375 T C 0.832 175.592 174.700 0.101 0.000 1.127 375 T CA 0.114 62.267 62.100 0.089 0.000 1.103 375 T CB -0.136 68.781 68.868 0.081 0.000 0.921 375 T HN 0.040 nan 8.240 nan 0.000 0.510 376 M N 1.818 121.490 119.600 0.121 0.000 2.250 376 M HA 0.486 4.968 4.480 0.002 0.000 0.344 376 M C 0.653 177.059 176.300 0.177 0.000 1.150 376 M CA -0.609 54.784 55.300 0.156 0.000 1.147 376 M CB 0.723 33.410 32.600 0.146 0.000 1.498 376 M HN 0.179 nan 8.290 nan 0.000 0.461 377 K N 2.925 123.445 120.400 0.199 0.000 2.382 377 K HA 0.392 4.713 4.320 0.002 0.000 0.275 377 K C -0.507 176.209 176.600 0.194 0.000 1.009 377 K CA -0.081 56.289 56.287 0.138 0.000 0.970 377 K CB -0.224 32.305 32.500 0.049 0.000 0.934 377 K HN 0.712 nan 8.250 nan 0.000 0.479 378 I N 2.348 122.998 120.570 0.133 0.000 2.441 378 I HA 0.164 4.335 4.170 0.002 0.000 0.287 378 I C 0.423 176.585 176.117 0.075 0.000 1.049 378 I CA -0.153 61.238 61.300 0.152 0.000 1.381 378 I CB 1.225 39.297 38.000 0.120 0.000 1.409 378 I HN 0.605 nan 8.210 nan 0.000 0.523 379 K N 7.624 128.088 120.400 0.106 0.000 2.507 379 K HA 0.389 4.710 4.320 0.002 0.000 0.253 379 K C -2.513 174.208 176.600 0.202 0.000 0.969 379 K CA -1.796 54.499 56.287 0.014 0.000 0.908 379 K CB 1.395 33.706 32.500 -0.315 0.000 1.127 379 K HN 0.199 nan 8.250 nan 0.000 0.437 380 P HA -0.074 nan 4.420 nan 0.000 0.262 380 P C 0.763 178.185 177.300 0.203 0.000 1.182 380 P CA 0.950 64.142 63.100 0.152 0.000 0.761 380 P CB 0.568 32.328 31.700 0.100 0.000 0.795 381 G N 1.269 110.144 108.800 0.125 0.000 2.176 381 G HA2 -0.251 3.710 3.960 0.002 0.000 0.253 381 G HA3 -0.251 3.710 3.960 0.002 0.000 0.253 381 G C -0.329 174.501 174.900 -0.116 0.000 0.979 381 G CA -0.350 44.752 45.100 0.002 0.000 0.641 381 G HN 0.476 nan 8.290 nan 0.000 0.530 382 Y N -0.632 119.731 120.300 0.105 0.000 2.446 382 Y HA 0.574 5.126 4.550 0.002 0.000 0.338 382 Y C 1.082 177.080 175.900 0.163 0.000 1.055 382 Y CA -0.765 57.432 58.100 0.161 0.000 1.101 382 Y CB 1.640 40.251 38.460 0.251 0.000 1.221 382 Y HN 0.095 nan 8.280 nan 0.000 0.460 383 M N 0.373 120.136 119.600 0.272 0.000 2.475 383 M HA 0.621 5.103 4.480 0.002 0.000 0.283 383 M C 0.494 176.877 176.300 0.139 0.000 1.165 383 M CA -0.260 55.135 55.300 0.159 0.000 0.976 383 M CB 0.011 32.645 32.600 0.056 0.000 1.428 383 M HN 0.675 nan 8.290 nan 0.000 0.495 384 G N 0.534 109.429 108.800 0.159 0.000 2.545 384 G HA2 -0.043 3.918 3.960 0.002 0.000 0.216 384 G HA3 -0.043 3.918 3.960 0.002 0.000 0.216 384 G C -0.374 174.456 174.900 -0.116 0.000 1.314 384 G CA -0.357 44.631 45.100 -0.186 0.000 0.906 384 G HN 0.921 nan 8.290 nan 0.000 0.563 385 T N -1.956 112.491 114.554 -0.178 0.000 2.910 385 T HA 0.918 5.270 4.350 0.002 0.000 0.287 385 T C 0.603 175.360 174.700 0.095 0.000 1.050 385 T CA 0.655 62.770 62.100 0.025 0.000 1.011 385 T CB 1.519 70.299 68.868 -0.147 0.000 1.195 385 T HN 2.413 nan 8.240 nan 0.000 0.540 386 A N 0.681 123.614 122.820 0.189 0.000 2.498 386 A HA 0.608 4.929 4.320 0.002 0.000 0.239 386 A C 0.938 178.531 177.584 0.015 0.000 1.068 386 A CA -0.168 51.947 52.037 0.130 0.000 0.766 386 A CB -0.904 18.214 19.000 0.196 0.000 1.003 386 A HN 1.476 nan 8.150 nan 0.000 0.497 387 A N 1.668 124.455 122.820 -0.054 0.000 2.466 387 A HA 0.413 4.735 4.320 0.002 0.000 0.238 387 A C 1.627 179.109 177.584 -0.170 0.000 1.074 387 A CA 0.339 52.255 52.037 -0.202 0.000 0.774 387 A CB -0.192 18.575 19.000 -0.388 0.000 1.015 387 A HN 1.944 nan 8.150 nan 0.000 0.498 388 S N 0.236 115.843 115.700 -0.155 0.000 2.400 388 S HA -0.193 4.279 4.470 0.002 0.000 0.232 388 S C 1.454 176.001 174.600 -0.089 0.000 1.025 388 S CA 1.761 59.913 58.200 -0.080 0.000 0.993 388 S CB -1.022 62.151 63.200 -0.046 0.000 0.808 388 S HN 0.695 nan 8.310 nan 0.000 0.478 389 C N 0.478 119.651 119.300 -0.211 0.000 2.539 389 C HA 0.333 4.794 4.460 0.002 0.000 0.271 389 C C 0.037 175.084 174.990 0.095 0.000 1.412 389 C CA -0.606 58.327 59.018 -0.142 0.000 1.729 389 C CB -1.768 25.816 27.740 -0.260 0.000 1.739 389 C HN 0.491 nan 8.230 nan 0.000 0.570 390 Y N 0.313 120.602 120.300 -0.019 0.000 2.409 390 Y HA 0.433 4.984 4.550 0.002 0.000 0.343 390 Y C -0.355 175.567 175.900 0.036 0.000 0.973 390 Y CA -2.015 56.082 58.100 -0.005 0.000 1.064 390 Y CB 0.522 38.974 38.460 -0.014 0.000 1.207 390 Y HN -0.035 nan 8.280 nan 0.000 0.452 391 D N 2.492 123.018 120.400 0.210 0.000 2.456 391 D HA 0.397 5.038 4.640 0.002 0.000 0.219 391 D C -1.123 175.320 176.300 0.239 0.000 1.126 391 D CA -0.077 54.040 54.000 0.196 0.000 0.890 391 D CB 0.492 41.380 40.800 0.146 0.000 1.025 391 D HN 0.179 nan 8.370 nan 0.000 0.511 392 V N 4.415 124.474 119.914 0.240 0.000 2.481 392 V HA 0.441 4.562 4.120 0.002 0.000 0.286 392 V C 0.270 176.555 176.094 0.318 0.000 1.042 392 V CA -0.577 61.819 62.300 0.159 0.000 0.928 392 V CB 1.431 33.171 31.823 -0.139 0.000 0.986 392 V HN 0.473 nan 8.190 nan 0.000 0.462 393 Q N 2.975 122.907 119.800 0.220 0.000 2.495 393 Q HA 0.561 4.902 4.340 0.002 0.000 0.287 393 Q C -1.310 174.734 176.000 0.073 0.000 1.078 393 Q CA -0.833 55.081 55.803 0.186 0.000 0.793 393 Q CB 2.995 31.731 28.738 -0.004 0.000 1.459 393 Q HN 0.468 nan 8.270 nan 0.000 0.422 394 I N 2.935 123.561 120.570 0.093 0.000 2.342 394 I HA 0.405 4.577 4.170 0.002 0.000 0.291 394 I C 0.518 176.547 176.117 -0.146 0.000 1.010 394 I CA -0.356 60.940 61.300 -0.006 0.000 1.308 394 I CB 0.131 38.160 38.000 0.048 0.000 1.400 394 I HN 0.534 nan 8.210 nan 0.000 0.488 395 I N 3.181 123.626 120.570 -0.208 0.000 2.785 395 I HA 0.636 4.807 4.170 0.002 0.000 0.302 395 I C -0.483 175.544 176.117 -0.151 0.000 1.069 395 I CA -0.869 60.277 61.300 -0.257 0.000 1.045 395 I CB 2.357 40.077 38.000 -0.467 0.000 1.236 395 I HN 0.444 nan 8.210 nan 0.000 0.429 396 D N 2.701 123.030 120.400 -0.118 0.000 2.478 396 D HA 0.073 4.715 4.640 0.002 0.000 0.269 396 D C 0.578 176.839 176.300 -0.066 0.000 1.232 396 D CA -0.165 53.789 54.000 -0.077 0.000 1.059 396 D CB 0.488 41.254 40.800 -0.056 0.000 1.104 396 D HN 0.736 nan 8.370 nan 0.000 0.566 397 D N -1.914 118.455 120.400 -0.051 0.000 2.309 397 D HA -0.159 4.482 4.640 0.002 0.000 0.212 397 D C 1.321 177.605 176.300 -0.027 0.000 0.968 397 D CA 2.088 56.063 54.000 -0.042 0.000 0.882 397 D CB -0.759 40.018 40.800 -0.038 0.000 0.918 397 D HN 0.519 nan 8.370 nan 0.000 0.503 398 K N 0.032 120.421 120.400 -0.019 0.000 2.358 398 K HA 0.556 4.877 4.320 0.002 0.000 0.197 398 K C 1.604 178.217 176.600 0.022 0.000 1.025 398 K CA 0.372 56.660 56.287 0.001 0.000 1.104 398 K CB -0.605 31.897 32.500 0.004 0.000 0.855 398 K HN 0.473 nan 8.250 nan 0.000 0.531 399 G N 0.849 109.653 108.800 0.006 0.000 2.136 399 G HA2 -0.242 3.720 3.960 0.002 0.000 0.242 399 G HA3 -0.242 3.720 3.960 0.002 0.000 0.242 399 G C -0.185 174.742 174.900 0.046 0.000 0.989 399 G CA 0.109 45.236 45.100 0.045 0.000 0.682 399 G HN 0.685 nan 8.290 nan 0.000 0.522 400 N N -0.437 118.261 118.700 -0.004 0.000 2.529 400 N HA 0.460 5.201 4.740 0.002 0.000 0.278 400 N C 0.441 175.902 175.510 -0.081 0.000 1.146 400 N CA -0.541 52.508 53.050 -0.001 0.000 0.980 400 N CB 1.785 40.275 38.487 0.004 0.000 1.124 400 N HN 0.078 nan 8.380 nan 0.000 0.458 401 V N 2.892 122.775 119.914 -0.051 0.000 2.585 401 V HA 0.031 4.152 4.120 0.002 0.000 0.296 401 V C 0.433 176.499 176.094 -0.045 0.000 1.035 401 V CA 0.083 62.336 62.300 -0.079 0.000 1.084 401 V CB 0.023 31.858 31.823 0.019 0.000 0.953 401 V HN 0.472 nan 8.190 nan 0.000 0.483 402 L N 7.451 128.640 121.223 -0.057 0.000 2.344 402 L HA 0.529 4.870 4.340 0.002 0.000 0.272 402 L C -1.821 175.036 176.870 -0.022 0.000 1.035 402 L CA -1.745 53.073 54.840 -0.038 0.000 0.807 402 L CB 1.868 43.900 42.059 -0.046 0.000 1.237 402 L HN 0.490 nan 8.230 nan 0.000 0.442 403 P HA 0.182 nan 4.420 nan 0.000 0.272 403 P C -2.679 174.608 177.300 -0.022 0.000 1.240 403 P CA -1.323 61.767 63.100 -0.016 0.000 0.791 403 P CB -0.408 31.284 31.700 -0.014 0.000 0.978 404 P HA -0.008 nan 4.420 nan 0.000 0.267 404 P C 0.838 178.124 177.300 -0.022 0.000 1.200 404 P CA 0.959 64.038 63.100 -0.035 0.000 0.772 404 P CB -0.029 31.646 31.700 -0.042 0.000 0.855 405 G N 1.114 109.906 108.800 -0.015 0.000 2.175 405 G HA2 -0.173 3.789 3.960 0.002 0.000 0.244 405 G HA3 -0.173 3.789 3.960 0.002 0.000 0.244 405 G C 0.068 174.963 174.900 -0.009 0.000 0.982 405 G CA 0.143 45.241 45.100 -0.004 0.000 0.641 405 G HN 0.709 nan 8.290 nan 0.000 0.527 406 T N 1.095 115.640 114.554 -0.015 0.000 2.758 406 T HA 0.506 4.857 4.350 0.002 0.000 0.285 406 T C -0.012 174.673 174.700 -0.024 0.000 0.981 406 T CA -0.328 61.759 62.100 -0.022 0.000 0.965 406 T CB 2.133 70.985 68.868 -0.026 0.000 0.927 406 T HN 0.390 nan 8.240 nan 0.000 0.448 407 E N 2.033 122.214 120.200 -0.031 0.000 2.384 407 E HA 0.436 4.787 4.350 0.002 0.000 0.266 407 E C 0.369 176.940 176.600 -0.049 0.000 1.012 407 E CA -0.123 56.252 56.400 -0.041 0.000 0.901 407 E CB 0.346 30.016 29.700 -0.051 0.000 0.967 407 E HN 0.857 nan 8.360 nan 0.000 0.435 408 G N 3.506 112.273 108.800 -0.054 0.000 2.772 408 G HA2 0.134 4.095 3.960 0.002 0.000 0.284 408 G HA3 0.134 4.095 3.960 0.002 0.000 0.284 408 G C -1.348 173.504 174.900 -0.080 0.000 1.217 408 G CA -0.623 44.435 45.100 -0.068 0.000 0.831 408 G HN 0.544 nan 8.290 nan 0.000 0.523 409 D N 0.606 120.952 120.400 -0.091 0.000 2.177 409 D HA 0.424 5.065 4.640 0.002 0.000 0.247 409 D C 0.037 176.283 176.300 -0.089 0.000 1.063 409 D CA -0.014 53.928 54.000 -0.096 0.000 0.867 409 D CB 2.329 43.066 40.800 -0.105 0.000 1.168 409 D HN 0.212 nan 8.370 nan 0.000 0.445 410 I N 1.333 121.865 120.570 -0.064 0.000 2.496 410 I HA 0.327 4.499 4.170 0.002 0.000 0.285 410 I C 1.069 177.165 176.117 -0.035 0.000 1.080 410 I CA 0.084 61.355 61.300 -0.049 0.000 1.404 410 I CB 1.073 39.051 38.000 -0.036 0.000 1.403 410 I HN 0.243 nan 8.210 nan 0.000 0.539 411 G N 6.623 115.406 108.800 -0.029 0.000 2.620 411 G HA2 0.742 4.704 3.960 0.002 0.000 0.301 411 G HA3 0.742 4.704 3.960 0.002 0.000 0.301 411 G C -1.123 173.932 174.900 0.258 0.000 1.347 411 G CA -0.527 44.633 45.100 0.099 0.000 0.971 411 G HN 0.448 nan 8.290 nan 0.000 0.488 412 I N 0.813 121.580 120.570 0.328 0.000 2.404 412 I HA 0.409 4.581 4.170 0.002 0.000 0.293 412 I C 0.600 176.826 176.117 0.183 0.000 0.992 412 I CA -0.848 60.562 61.300 0.184 0.000 1.149 412 I CB 2.081 39.990 38.000 -0.151 0.000 1.315 412 I HN 0.379 nan 8.210 nan 0.000 0.446 413 R N 5.075 125.561 120.500 -0.023 0.000 2.370 413 R HA 0.202 4.543 4.340 0.002 0.000 0.309 413 R C 0.452 176.576 176.300 -0.293 0.000 1.059 413 R CA 0.022 55.811 56.100 -0.519 0.000 0.981 413 R CB 0.660 30.670 30.300 -0.484 0.000 0.972 413 R HN 0.668 nan 8.270 nan 0.000 0.437 414 V N 0.445 120.189 119.914 -0.283 0.000 3.432 414 V HA 0.359 4.481 4.120 0.002 0.000 0.298 414 V C -0.180 175.801 176.094 -0.188 0.000 1.464 414 V CA -0.047 62.125 62.300 -0.213 0.000 1.046 414 V CB -0.020 31.733 31.823 -0.117 0.000 0.887 414 V HN 0.552 nan 8.190 nan 0.000 0.441 415 K N 1.758 122.045 120.400 -0.189 0.000 2.378 415 K HA 0.534 4.856 4.320 0.002 0.000 0.252 415 K C -2.305 174.212 176.600 -0.138 0.000 0.931 415 K CA -1.534 54.679 56.287 -0.124 0.000 0.794 415 K CB 2.838 35.301 32.500 -0.062 0.000 1.181 415 K HN -0.115 nan 8.250 nan 0.000 0.425 416 P HA 0.023 nan 4.420 nan 0.000 0.231 416 P C -0.050 177.209 177.300 -0.068 0.000 1.168 416 P CA 0.720 63.787 63.100 -0.055 0.000 0.779 416 P CB 0.470 32.151 31.700 -0.031 0.000 0.844 417 I N 0.659 121.174 120.570 -0.092 0.000 2.362 417 I HA 0.323 4.494 4.170 0.002 0.000 0.289 417 I C 0.675 176.691 176.117 -0.169 0.000 0.994 417 I CA -1.144 60.095 61.300 -0.101 0.000 1.158 417 I CB 1.877 39.837 38.000 -0.067 0.000 1.315 417 I HN -0.241 nan 8.210 nan 0.000 0.451 418 R N 8.667 129.015 120.500 -0.253 0.000 2.316 418 R HA 0.304 4.645 4.340 0.002 0.000 0.314 418 R C -2.324 173.822 176.300 -0.255 0.000 1.069 418 R CA -1.258 54.606 56.100 -0.394 0.000 0.959 418 R CB 0.746 30.604 30.300 -0.736 0.000 0.987 418 R HN 0.316 nan 8.270 nan 0.000 0.446 419 P HA 0.009 nan 4.420 nan 0.000 0.274 419 P C -0.183 177.111 177.300 -0.011 0.000 1.237 419 P CA -0.096 62.989 63.100 -0.024 0.000 0.793 419 P CB 0.793 32.587 31.700 0.156 0.000 0.977 420 I N 1.127 121.699 120.570 0.002 0.000 2.668 420 I HA 0.108 4.279 4.170 0.002 0.000 0.285 420 I C 1.738 177.884 176.117 0.048 0.000 1.168 420 I CA 1.646 62.934 61.300 -0.019 0.000 1.424 420 I CB -0.564 37.396 38.000 -0.067 0.000 1.377 420 I HN 0.803 nan 8.210 nan 0.000 0.560 421 G N 5.710 114.548 108.800 0.063 0.000 2.352 421 G HA2 -0.222 3.739 3.960 0.002 0.000 0.204 421 G HA3 -0.222 3.739 3.960 0.002 0.000 0.204 421 G C 0.110 175.151 174.900 0.236 0.000 1.004 421 G CA -0.463 44.719 45.100 0.138 0.000 0.648 421 G HN 0.517 nan 8.290 nan 0.000 0.491 422 I N 3.280 123.915 120.570 0.107 0.000 2.575 422 I HA 0.528 4.699 4.170 0.002 0.000 0.285 422 I C 1.331 177.389 176.117 -0.098 0.000 1.085 422 I CA -1.089 60.156 61.300 -0.093 0.000 1.403 422 I CB 0.362 38.131 38.000 -0.385 0.000 1.409 422 I HN 0.334 nan 8.210 nan 0.000 0.557 423 F N 4.456 124.089 119.950 -0.528 0.000 2.527 423 F HA 0.170 4.698 4.527 0.002 0.000 0.316 423 F C 1.037 176.614 175.800 -0.371 0.000 1.258 423 F CA -0.525 57.018 58.000 -0.762 0.000 1.314 423 F CB 0.129 38.518 39.000 -1.017 0.000 1.200 423 F HN 0.406 nan 8.300 nan 0.000 0.577 424 S N 0.107 115.431 115.700 -0.626 0.000 2.548 424 S HA 0.454 4.925 4.470 0.002 0.000 0.215 424 S C 0.374 174.574 174.600 -0.666 0.000 0.976 424 S CA 0.331 58.278 58.200 -0.421 0.000 0.908 424 S CB -0.138 62.915 63.200 -0.245 0.000 0.781 424 S HN 1.255 nan 8.310 nan 0.000 0.519 425 G N 0.554 108.354 108.800 -1.666 0.000 2.357 425 G HA2 0.070 4.031 3.960 0.002 0.000 0.643 425 G HA3 0.070 4.031 3.960 0.002 0.000 0.643 425 G C -1.575 172.814 174.900 -0.853 0.000 1.358 425 G CA -1.220 42.985 45.100 -1.492 0.000 0.986 425 G HN 0.078 nan 8.290 nan 0.000 0.620 426 Y N -0.007 120.183 120.300 -0.185 0.000 2.402 426 Y HA 0.400 4.952 4.550 0.002 0.000 0.333 426 Y C 1.460 177.303 175.900 -0.095 0.000 1.076 426 Y CA -0.461 57.649 58.100 0.017 0.000 1.299 426 Y CB 0.995 39.505 38.460 0.084 0.000 1.197 426 Y HN 0.413 nan 8.280 nan 0.000 0.517 427 V N 4.898 124.843 119.914 0.051 0.000 2.599 427 V HA -0.085 4.036 4.120 0.002 0.000 0.300 427 V C 0.413 176.498 176.094 -0.016 0.000 1.034 427 V CA 0.166 62.446 62.300 -0.034 0.000 1.115 427 V CB 0.235 32.012 31.823 -0.076 0.000 0.934 427 V HN 0.936 nan 8.190 nan 0.000 0.485 428 D N 2.743 123.123 120.400 -0.033 0.000 3.077 428 D HA -0.192 4.449 4.640 0.002 0.000 0.217 428 D C 0.437 176.728 176.300 -0.015 0.000 1.162 428 D CA 1.427 55.410 54.000 -0.028 0.000 0.943 428 D CB -1.033 39.751 40.800 -0.027 0.000 1.122 428 D HN 0.837 nan 8.370 nan 0.000 0.413 429 N N -0.143 118.560 118.700 0.004 0.000 2.672 429 N HA 0.080 4.822 4.740 0.002 0.000 0.295 429 N C -1.956 173.570 175.510 0.026 0.000 1.924 429 N CA -0.781 52.283 53.050 0.023 0.000 0.851 429 N CB 1.627 40.142 38.487 0.047 0.000 1.281 429 N HN 0.067 nan 8.380 nan 0.000 0.494 430 P HA -0.140 nan 4.420 nan 0.000 0.218 430 P C 0.540 177.795 177.300 -0.075 0.000 1.146 430 P CA 1.279 64.315 63.100 -0.107 0.000 0.813 430 P CB 0.517 32.145 31.700 -0.119 0.000 0.778 431 D N 0.341 120.721 120.400 -0.034 0.000 2.149 431 D HA -0.090 4.551 4.640 0.002 0.000 0.201 431 D C 1.960 178.263 176.300 0.005 0.000 0.972 431 D CA 1.105 55.089 54.000 -0.026 0.000 0.835 431 D CB -0.349 40.436 40.800 -0.024 0.000 0.966 431 D HN 0.274 nan 8.370 nan 0.000 0.476 432 K N 0.126 120.554 120.400 0.046 0.000 2.057 432 K HA -0.055 4.267 4.320 0.002 0.000 0.206 432 K C 2.127 178.894 176.600 0.278 0.000 1.050 432 K CA 1.221 57.569 56.287 0.102 0.000 0.935 432 K CB -0.154 32.357 32.500 0.018 0.000 0.715 432 K HN 0.052 nan 8.250 nan 0.000 0.439 433 T N 1.240 115.984 114.554 0.318 0.000 2.684 433 T HA -0.189 4.163 4.350 0.002 0.000 0.267 433 T C 2.074 176.809 174.700 0.057 0.000 1.036 433 T CA 1.530 63.741 62.100 0.186 0.000 1.148 433 T CB -0.354 68.347 68.868 -0.279 0.000 0.863 433 T HN 0.332 nan 8.240 nan 0.000 0.436 434 A N 1.552 124.334 122.820 -0.063 0.000 1.933 434 A HA 0.173 4.494 4.320 0.002 0.000 0.218 434 A C 2.646 180.218 177.584 -0.021 0.000 1.175 434 A CA 1.728 53.727 52.037 -0.064 0.000 0.628 434 A CB -1.110 17.841 19.000 -0.082 0.000 0.814 434 A HN 0.524 nan 8.150 nan 0.000 0.444 435 A N -0.435 122.378 122.820 -0.013 0.000 2.076 435 A HA -0.187 4.134 4.320 0.002 0.000 0.220 435 A C 1.722 179.255 177.584 -0.084 0.000 1.160 435 A CA 1.955 53.970 52.037 -0.037 0.000 0.653 435 A CB -0.541 18.440 19.000 -0.031 0.000 0.801 435 A HN 0.535 nan 8.150 nan 0.000 0.455 436 N N -1.153 117.473 118.700 -0.124 0.000 2.230 436 N HA 0.265 5.006 4.740 0.002 0.000 0.202 436 N C -0.435 174.886 175.510 -0.316 0.000 1.119 436 N CA -0.000 52.837 53.050 -0.354 0.000 0.851 436 N CB 0.061 38.119 38.487 -0.714 0.000 0.990 436 N HN 0.417 nan 8.380 nan 0.000 0.497 437 I N 0.826 121.363 120.570 -0.056 0.000 2.321 437 I HA 0.286 4.457 4.170 0.002 0.000 0.291 437 I C 0.110 176.255 176.117 0.046 0.000 0.998 437 I CA -0.627 60.722 61.300 0.081 0.000 1.227 437 I CB 1.288 39.396 38.000 0.180 0.000 1.368 437 I HN -0.130 nan 8.210 nan 0.000 0.466 438 R N 5.331 125.878 120.500 0.078 0.000 2.388 438 R HA 0.518 4.860 4.340 0.002 0.000 0.314 438 R C 0.552 176.946 176.300 0.156 0.000 0.959 438 R CA 0.295 56.442 56.100 0.078 0.000 0.851 438 R CB 1.221 31.542 30.300 0.035 0.000 1.168 438 R HN 0.886 nan 8.270 nan 0.000 0.472 439 G N 3.935 112.807 108.800 0.120 0.000 2.634 439 G HA2 -0.374 3.587 3.960 0.002 0.000 0.318 439 G HA3 -0.374 3.587 3.960 0.002 0.000 0.318 439 G C 0.178 175.150 174.900 0.121 0.000 1.207 439 G CA 0.638 45.816 45.100 0.130 0.000 0.987 439 G HN 0.694 nan 8.290 nan 0.000 0.547 440 D N 0.931 121.399 120.400 0.113 0.000 2.340 440 D HA 0.355 4.997 4.640 0.002 0.000 0.217 440 D C 0.158 176.268 176.300 -0.317 0.000 1.081 440 D CA 0.369 54.298 54.000 -0.117 0.000 0.842 440 D CB 0.058 40.701 40.800 -0.261 0.000 0.934 440 D HN 0.167 nan 8.370 nan 0.000 0.511 441 F N 0.157 120.159 119.950 0.086 0.000 2.495 441 F HA 0.264 4.792 4.527 0.002 0.000 0.327 441 F C 0.156 176.049 175.800 0.154 0.000 1.103 441 F CA -1.413 56.646 58.000 0.099 0.000 0.949 441 F CB 1.681 40.711 39.000 0.049 0.000 1.142 441 F HN -0.100 nan 8.300 nan 0.000 0.457 442 W N 6.607 128.014 121.300 0.178 0.000 2.419 442 W HA 0.419 5.080 4.660 0.002 0.000 0.312 442 W C -1.459 175.138 176.519 0.130 0.000 1.323 442 W CA -0.722 56.715 57.345 0.153 0.000 1.293 442 W CB 0.595 30.120 29.460 0.109 0.000 1.324 442 W HN 0.410 nan 8.180 nan 0.000 0.512 443 L N 7.739 128.642 121.223 -0.533 0.000 2.361 443 L HA -0.010 4.331 4.340 0.002 0.000 0.278 443 L C 1.353 177.877 176.870 -0.578 0.000 1.113 443 L CA -0.470 54.108 54.840 -0.437 0.000 0.849 443 L CB 0.804 42.652 42.059 -0.351 0.000 1.155 443 L HN 0.490 nan 8.230 nan 0.000 0.452 444 L N 3.238 124.346 121.223 -0.192 0.000 2.275 444 L HA -0.043 4.299 4.340 0.002 0.000 0.215 444 L C 1.774 178.615 176.870 -0.049 0.000 1.119 444 L CA 1.469 56.289 54.840 -0.034 0.000 0.790 444 L CB -0.446 41.695 42.059 0.137 0.000 0.919 444 L HN 1.045 nan 8.230 nan 0.000 0.443 445 G N -1.358 107.384 108.800 -0.096 0.000 2.159 445 G HA2 -0.230 3.731 3.960 0.002 0.000 0.256 445 G HA3 -0.230 3.731 3.960 0.002 0.000 0.256 445 G C -0.102 174.780 174.900 -0.031 0.000 0.977 445 G CA 0.161 45.215 45.100 -0.076 0.000 0.652 445 G HN 0.334 nan 8.290 nan 0.000 0.531 446 D N 0.268 120.674 120.400 0.010 0.000 2.185 446 D HA 0.516 5.157 4.640 0.002 0.000 0.247 446 D C 0.647 176.870 176.300 -0.128 0.000 1.027 446 D CA -0.598 53.384 54.000 -0.031 0.000 0.861 446 D CB 0.984 41.895 40.800 0.185 0.000 1.202 446 D HN 0.066 nan 8.370 nan 0.000 0.453 447 R N 0.487 120.838 120.500 -0.249 0.000 2.582 447 R HA 0.714 5.055 4.340 0.002 0.000 0.271 447 R C 0.504 176.647 176.300 -0.261 0.000 1.078 447 R CA -0.549 55.414 56.100 -0.228 0.000 1.127 447 R CB 0.861 31.021 30.300 -0.233 0.000 1.038 447 R HN 0.600 nan 8.270 nan 0.000 0.500 448 G N 0.678 109.395 108.800 -0.138 0.000 2.646 448 G HA2 0.602 4.563 3.960 0.002 0.000 0.291 448 G HA3 0.602 4.563 3.960 0.002 0.000 0.291 448 G C -1.245 173.658 174.900 0.005 0.000 1.445 448 G CA -0.655 44.410 45.100 -0.058 0.000 0.814 448 G HN 0.375 nan 8.290 nan 0.000 0.495 449 I N 0.099 120.693 120.570 0.040 0.000 2.730 449 I HA 0.508 4.679 4.170 0.002 0.000 0.298 449 I C -0.311 175.842 176.117 0.061 0.000 1.089 449 I CA -0.897 60.425 61.300 0.037 0.000 1.041 449 I CB 2.784 40.789 38.000 0.008 0.000 1.235 449 I HN 0.414 nan 8.210 nan 0.000 0.423 450 K N 3.994 124.376 120.400 -0.030 0.000 2.221 450 K HA 0.363 4.685 4.320 0.002 0.000 0.258 450 K C -1.193 175.353 176.600 -0.090 0.000 0.944 450 K CA -0.635 55.521 56.287 -0.218 0.000 0.823 450 K CB 1.491 33.725 32.500 -0.443 0.000 1.113 450 K HN 0.652 nan 8.250 nan 0.000 0.431 451 D N 1.919 122.278 120.400 -0.068 0.000 2.466 451 D HA -0.042 4.599 4.640 0.002 0.000 0.262 451 D C 0.904 177.144 176.300 -0.100 0.000 1.177 451 D CA -0.296 53.663 54.000 -0.069 0.000 1.035 451 D CB 0.626 41.331 40.800 -0.158 0.000 1.105 451 D HN 0.722 nan 8.370 nan 0.000 0.551 452 E N -0.584 119.559 120.200 -0.094 0.000 2.219 452 E HA -0.257 4.094 4.350 0.002 0.000 0.198 452 E C 0.136 176.700 176.600 -0.059 0.000 0.998 452 E CA 1.286 57.643 56.400 -0.073 0.000 0.818 452 E CB -0.290 29.369 29.700 -0.069 0.000 0.741 452 E HN 0.378 nan 8.360 nan 0.000 0.477 453 D N -0.185 120.176 120.400 -0.064 0.000 2.340 453 D HA 0.110 4.751 4.640 0.002 0.000 0.217 453 D C 1.016 177.378 176.300 0.102 0.000 1.081 453 D CA 0.761 54.775 54.000 0.022 0.000 0.842 453 D CB 0.929 41.733 40.800 0.007 0.000 0.934 453 D HN 0.447 nan 8.370 nan 0.000 0.511 454 G N 0.705 109.502 108.800 -0.007 0.000 2.157 454 G HA2 -0.295 3.666 3.960 0.002 0.000 0.248 454 G HA3 -0.295 3.666 3.960 0.002 0.000 0.248 454 G C 0.089 174.870 174.900 -0.199 0.000 0.979 454 G CA -0.330 44.698 45.100 -0.119 0.000 0.650 454 G HN 0.379 nan 8.290 nan 0.000 0.529 455 Y N -0.471 119.670 120.300 -0.265 0.000 2.346 455 Y HA 0.527 5.078 4.550 0.002 0.000 0.330 455 Y C 0.855 176.677 175.900 -0.129 0.000 1.178 455 Y CA -0.721 57.299 58.100 -0.133 0.000 1.331 455 Y CB 0.453 38.819 38.460 -0.156 0.000 1.253 455 Y HN 0.073 nan 8.280 nan 0.000 0.529 456 F N 1.936 122.074 119.950 0.313 0.000 2.399 456 F HA 0.293 4.822 4.527 0.002 0.000 0.334 456 F C 0.142 176.057 175.800 0.191 0.000 1.097 456 F CA -0.612 57.506 58.000 0.197 0.000 1.076 456 F CB 1.212 40.225 39.000 0.021 0.000 1.162 456 F HN 0.355 nan 8.300 nan 0.000 0.495 457 Q N 3.771 123.669 119.800 0.163 0.000 2.331 457 Q HA 0.316 4.657 4.340 0.002 0.000 0.267 457 Q C -1.400 174.578 176.000 -0.035 0.000 1.006 457 Q CA -0.874 54.841 55.803 -0.147 0.000 0.818 457 Q CB 1.346 29.796 28.738 -0.481 0.000 1.276 457 Q HN 0.645 nan 8.270 nan 0.000 0.450 458 F N 4.775 124.612 119.950 -0.189 0.000 2.456 458 F HA 0.195 4.723 4.527 0.002 0.000 0.358 458 F C 0.143 175.869 175.800 -0.123 0.000 1.095 458 F CA 0.163 58.053 58.000 -0.183 0.000 1.216 458 F CB 0.722 39.608 39.000 -0.191 0.000 1.125 458 F HN 0.620 nan 8.300 nan 0.000 0.549 459 M N 5.459 124.637 119.600 -0.704 0.000 2.504 459 M HA 0.306 4.787 4.480 0.002 0.000 0.370 459 M C 0.249 176.190 176.300 -0.598 0.000 1.110 459 M CA 0.338 55.361 55.300 -0.463 0.000 0.938 459 M CB -0.332 32.107 32.600 -0.268 0.000 1.460 459 M HN 0.825 nan 8.290 nan 0.000 0.535 460 G N 1.608 109.662 108.800 -1.243 0.000 2.663 460 G HA2 -0.123 3.838 3.960 0.002 0.000 0.686 460 G HA3 -0.123 3.838 3.960 0.002 0.000 0.686 460 G C -0.730 173.874 174.900 -0.493 0.000 1.288 460 G CA -1.128 43.534 45.100 -0.730 0.000 0.836 460 G HN 0.260 nan 8.290 nan 0.000 0.584 461 R N 0.623 121.040 120.500 -0.139 0.000 2.421 461 R HA 0.417 4.758 4.340 0.002 0.000 0.305 461 R C 1.833 178.075 176.300 -0.096 0.000 1.039 461 R CA 0.625 56.690 56.100 -0.058 0.000 1.003 461 R CB 0.370 30.678 30.300 0.013 0.000 0.959 461 R HN 1.195 nan 8.270 nan 0.000 0.427 462 A N 3.863 126.621 122.820 -0.102 0.000 1.892 462 A HA -0.222 4.099 4.320 0.002 0.000 0.218 462 A C 1.342 178.878 177.584 -0.081 0.000 1.188 462 A CA 1.723 53.701 52.037 -0.099 0.000 0.631 462 A CB -0.170 18.772 19.000 -0.097 0.000 0.822 462 A HN 0.627 nan 8.150 nan 0.000 0.447 463 D N -0.283 120.071 120.400 -0.076 0.000 2.309 463 D HA -0.078 4.563 4.640 0.002 0.000 0.212 463 D C 0.723 176.982 176.300 -0.069 0.000 0.968 463 D CA 1.084 55.035 54.000 -0.082 0.000 0.882 463 D CB -0.222 40.527 40.800 -0.085 0.000 0.918 463 D HN 0.415 nan 8.370 nan 0.000 0.503 464 D N -0.429 119.941 120.400 -0.051 0.000 2.367 464 D HA 0.032 4.673 4.640 0.002 0.000 0.207 464 D C 0.802 177.092 176.300 -0.017 0.000 1.034 464 D CA -0.163 53.820 54.000 -0.029 0.000 0.861 464 D CB 0.694 41.484 40.800 -0.017 0.000 0.943 464 D HN 0.116 nan 8.370 nan 0.000 0.515 465 I N 1.734 122.287 120.570 -0.030 0.000 2.692 465 I HA 0.051 4.222 4.170 0.002 0.000 0.284 465 I C 0.752 176.875 176.117 0.010 0.000 1.159 465 I CA -0.125 61.166 61.300 -0.014 0.000 1.423 465 I CB 0.308 38.290 38.000 -0.030 0.000 1.380 465 I HN -0.171 nan 8.210 nan 0.000 0.580 466 I N 5.950 126.543 120.570 0.037 0.000 2.377 466 I HA 0.256 4.428 4.170 0.002 0.000 0.293 466 I C 0.158 176.323 176.117 0.079 0.000 0.987 466 I CA -0.560 60.779 61.300 0.065 0.000 1.185 466 I CB 1.056 39.098 38.000 0.069 0.000 1.341 466 I HN 0.407 nan 8.210 nan 0.000 0.455 467 N N 4.419 123.169 118.700 0.085 0.000 2.589 467 N HA 0.214 4.955 4.740 0.002 0.000 0.232 467 N C -1.014 174.556 175.510 0.100 0.000 1.015 467 N CA -0.010 53.090 53.050 0.084 0.000 0.931 467 N CB 1.673 40.197 38.487 0.062 0.000 1.150 467 N HN 0.449 nan 8.380 nan 0.000 0.512 468 S N 0.581 116.353 115.700 0.119 0.000 2.596 468 S HA 0.250 4.722 4.470 0.002 0.000 0.318 468 S C 0.064 174.755 174.600 0.151 0.000 1.097 468 S CA -0.384 57.879 58.200 0.105 0.000 1.080 468 S CB 0.195 63.434 63.200 0.065 0.000 0.991 468 S HN 0.505 nan 8.310 nan 0.000 0.471 469 S N 3.052 118.821 115.700 0.115 0.000 3.614 469 S HA -0.197 4.274 4.470 0.002 0.000 0.360 469 S C 1.201 175.920 174.600 0.198 0.000 1.023 469 S CA 1.111 59.394 58.200 0.139 0.000 1.114 469 S CB -1.846 61.434 63.200 0.134 0.000 0.907 469 S HN 1.972 nan 8.310 nan 0.000 0.470 470 G N -1.173 107.687 108.800 0.100 0.000 2.225 470 G HA2 -0.341 3.620 3.960 0.002 0.000 0.254 470 G HA3 -0.341 3.620 3.960 0.002 0.000 0.254 470 G C -0.125 174.699 174.900 -0.126 0.000 0.988 470 G CA 0.319 45.400 45.100 -0.032 0.000 0.625 470 G HN 0.727 nan 8.290 nan 0.000 0.527 471 Y N 0.874 121.122 120.300 -0.087 0.000 2.323 471 Y HA 0.656 5.208 4.550 0.002 0.000 0.331 471 Y C 1.178 177.077 175.900 -0.002 0.000 1.092 471 Y CA -0.872 57.147 58.100 -0.135 0.000 1.150 471 Y CB 0.960 39.265 38.460 -0.258 0.000 1.200 471 Y HN 0.034 nan 8.280 nan 0.000 0.472 472 R N 3.572 124.155 120.500 0.139 0.000 2.254 472 R HA 0.525 4.867 4.340 0.002 0.000 0.318 472 R C -1.349 175.078 176.300 0.212 0.000 1.031 472 R CA -0.392 55.786 56.100 0.130 0.000 0.905 472 R CB 0.643 30.974 30.300 0.051 0.000 1.050 472 R HN 0.581 nan 8.270 nan 0.000 0.456 473 I N 1.297 121.961 120.570 0.157 0.000 2.436 473 I HA 0.291 4.463 4.170 0.002 0.000 0.289 473 I C 0.538 176.688 176.117 0.054 0.000 1.010 473 I CA -0.488 60.889 61.300 0.129 0.000 1.098 473 I CB 2.281 40.345 38.000 0.106 0.000 1.266 473 I HN 0.608 nan 8.210 nan 0.000 0.434 474 G N 6.477 115.295 108.800 0.030 0.000 2.333 474 G HA2 0.365 4.326 3.960 0.002 0.000 0.290 474 G HA3 0.365 4.326 3.960 0.002 0.000 0.290 474 G C -1.562 173.340 174.900 0.004 0.000 1.150 474 G CA -1.063 44.039 45.100 0.002 0.000 0.895 474 G HN 0.439 nan 8.290 nan 0.000 0.444 475 P HA -0.106 nan 4.420 nan 0.000 0.220 475 P C 1.830 179.141 177.300 0.019 0.000 1.148 475 P CA 0.856 63.965 63.100 0.016 0.000 0.803 475 P CB 0.427 32.142 31.700 0.025 0.000 0.782 476 S N 0.202 115.916 115.700 0.023 0.000 2.382 476 S HA -0.144 4.327 4.470 0.002 0.000 0.228 476 S C 1.861 176.475 174.600 0.024 0.000 1.027 476 S CA 1.247 59.467 58.200 0.034 0.000 0.991 476 S CB -0.584 62.650 63.200 0.057 0.000 0.823 476 S HN 0.370 nan 8.310 nan 0.000 0.469 477 E N 0.504 120.711 120.200 0.010 0.000 2.051 477 E HA -0.109 4.242 4.350 0.002 0.000 0.192 477 E C 2.123 178.718 176.600 -0.008 0.000 0.991 477 E CA 1.314 57.712 56.400 -0.003 0.000 0.799 477 E CB -0.232 29.456 29.700 -0.019 0.000 0.748 477 E HN 0.277 nan 8.360 nan 0.000 0.449 478 V N 1.582 121.489 119.914 -0.012 0.000 2.343 478 V HA -0.256 3.865 4.120 0.002 0.000 0.247 478 V C 2.037 178.141 176.094 0.017 0.000 1.051 478 V CA 1.959 64.253 62.300 -0.010 0.000 1.036 478 V CB -0.544 31.269 31.823 -0.018 0.000 0.654 478 V HN 0.223 nan 8.190 nan 0.000 0.451 479 E N 0.364 120.579 120.200 0.025 0.000 2.058 479 E HA -0.223 4.128 4.350 0.002 0.000 0.194 479 E C 2.173 178.799 176.600 0.044 0.000 0.997 479 E CA 1.453 57.875 56.400 0.038 0.000 0.801 479 E CB -0.252 29.471 29.700 0.037 0.000 0.746 479 E HN 0.552 nan 8.360 nan 0.000 0.450 480 N N 0.644 119.367 118.700 0.038 0.000 2.120 480 N HA -0.157 4.584 4.740 0.002 0.000 0.188 480 N C 1.711 177.257 175.510 0.060 0.000 1.024 480 N CA 1.307 54.383 53.050 0.043 0.000 0.852 480 N CB -0.436 38.070 38.487 0.033 0.000 1.003 480 N HN 0.154 nan 8.380 nan 0.000 0.424 481 A N 1.596 124.444 122.820 0.048 0.000 1.851 481 A HA -0.120 4.201 4.320 0.002 0.000 0.216 481 A C 2.435 180.134 177.584 0.193 0.000 1.195 481 A CA 1.226 53.300 52.037 0.062 0.000 0.622 481 A CB -1.034 17.953 19.000 -0.020 0.000 0.831 481 A HN 0.241 nan 8.150 nan 0.000 0.444 482 L N -1.014 120.298 121.223 0.148 0.000 2.043 482 L HA -0.247 4.095 4.340 0.002 0.000 0.212 482 L C 2.707 179.652 176.870 0.124 0.000 1.075 482 L CA 1.332 56.267 54.840 0.158 0.000 0.752 482 L CB -0.468 41.639 42.059 0.080 0.000 0.891 482 L HN 0.378 nan 8.230 nan 0.000 0.432 483 M N -0.818 118.839 119.600 0.094 0.000 2.460 483 M HA -0.146 4.336 4.480 0.002 0.000 0.263 483 M C 1.873 178.213 176.300 0.068 0.000 1.071 483 M CA 1.327 56.666 55.300 0.064 0.000 1.096 483 M CB -0.800 31.830 32.600 0.050 0.000 1.408 483 M HN 0.319 nan 8.290 nan 0.000 0.463 484 E N -0.966 119.305 120.200 0.118 0.000 2.347 484 E HA -0.103 4.248 4.350 0.002 0.000 0.196 484 E C 0.755 177.358 176.600 0.005 0.000 1.008 484 E CA 0.204 56.665 56.400 0.101 0.000 0.852 484 E CB -0.018 29.796 29.700 0.189 0.000 0.783 484 E HN 0.387 nan 8.360 nan 0.000 0.505 485 H N 1.299 120.270 119.070 -0.165 0.000 2.580 485 H HA 0.055 4.612 4.556 0.002 0.000 0.322 485 H C -1.699 173.474 175.328 -0.258 0.000 1.082 485 H CA -2.212 53.624 56.048 -0.353 0.000 1.383 485 H CB 1.399 30.860 29.762 -0.503 0.000 1.450 485 H HN -0.106 nan 8.280 nan 0.000 0.505 486 P HA -0.068 nan 4.420 nan 0.000 0.228 486 P C 0.909 178.065 177.300 -0.239 0.000 1.151 486 P CA 0.886 63.907 63.100 -0.131 0.000 0.770 486 P CB 0.094 31.758 31.700 -0.061 0.000 0.786 487 A N -0.274 122.249 122.820 -0.496 0.000 2.119 487 A HA 0.071 4.392 4.320 0.002 0.000 0.217 487 A C 1.130 178.410 177.584 -0.506 0.000 1.153 487 A CA 0.562 51.820 52.037 -1.298 0.000 0.692 487 A CB -0.603 17.385 19.000 -1.687 0.000 0.799 487 A HN 0.094 nan 8.150 nan 0.000 0.458 488 V N 0.567 120.340 119.914 -0.235 0.000 2.364 488 V HA 0.173 4.295 4.120 0.002 0.000 0.272 488 V C 1.194 177.257 176.094 -0.052 0.000 1.036 488 V CA -0.215 62.018 62.300 -0.111 0.000 0.880 488 V CB 1.265 33.054 31.823 -0.055 0.000 0.991 488 V HN 0.153 nan 8.190 nan 0.000 0.460 489 V N 3.361 123.257 119.914 -0.029 0.000 2.500 489 V HA 0.170 4.291 4.120 0.002 0.000 0.243 489 V C 0.749 176.851 176.094 0.014 0.000 1.039 489 V CA 1.126 63.426 62.300 -0.001 0.000 1.053 489 V CB 0.122 31.950 31.823 0.008 0.000 0.695 489 V HN 0.939 nan 8.190 nan 0.000 0.463 490 E N -1.514 118.700 120.200 0.023 0.000 2.372 490 E HA 0.501 4.852 4.350 0.002 0.000 0.279 490 E C -1.320 175.310 176.600 0.050 0.000 0.946 490 E CA -0.194 56.225 56.400 0.033 0.000 0.769 490 E CB 2.513 32.231 29.700 0.031 0.000 1.230 490 E HN 0.122 nan 8.360 nan 0.000 0.442 491 T N 0.752 115.337 114.554 0.052 0.000 2.932 491 T HA 0.755 5.106 4.350 0.002 0.000 0.318 491 T C -2.011 172.731 174.700 0.070 0.000 1.265 491 T CA -0.149 61.995 62.100 0.072 0.000 1.036 491 T CB 1.411 70.315 68.868 0.061 0.000 1.209 491 T HN 0.519 nan 8.240 nan 0.000 0.484 492 A N 2.969 125.854 122.820 0.108 0.000 2.374 492 A HA 0.790 5.112 4.320 0.002 0.000 0.305 492 A C -1.190 176.485 177.584 0.152 0.000 1.053 492 A CA -0.534 51.559 52.037 0.092 0.000 0.726 492 A CB 1.661 20.683 19.000 0.038 0.000 1.229 492 A HN 0.745 nan 8.150 nan 0.000 0.431 493 V N 3.771 123.746 119.914 0.102 0.000 2.448 493 V HA 0.679 4.800 4.120 0.002 0.000 0.295 493 V C -0.210 175.944 176.094 0.100 0.000 1.025 493 V CA -0.153 62.206 62.300 0.099 0.000 0.859 493 V CB 1.082 32.932 31.823 0.045 0.000 0.988 493 V HN 0.939 nan 8.190 nan 0.000 0.431 494 I N 1.927 122.579 120.570 0.138 0.000 3.279 494 I HA 0.831 5.002 4.170 0.002 0.000 0.315 494 I C -0.033 176.176 176.117 0.154 0.000 1.187 494 I CA -0.745 60.642 61.300 0.144 0.000 0.953 494 I CB 2.462 40.573 38.000 0.185 0.000 1.279 494 I HN 0.532 nan 8.210 nan 0.000 0.465 495 S N 1.411 117.235 115.700 0.207 0.000 2.586 495 S HA 0.668 5.139 4.470 0.002 0.000 0.274 495 S C -0.187 174.617 174.600 0.340 0.000 1.281 495 S CA -0.481 57.876 58.200 0.262 0.000 1.035 495 S CB 1.290 64.701 63.200 0.351 0.000 0.962 495 S HN 0.827 nan 8.310 nan 0.000 0.512 496 S N 2.530 118.279 115.700 0.082 0.000 2.521 496 S HA 0.643 5.114 4.470 0.002 0.000 0.295 496 S C -2.980 171.336 174.600 -0.473 0.000 1.098 496 S CA -1.849 56.227 58.200 -0.206 0.000 0.999 496 S CB 1.321 64.422 63.200 -0.166 0.000 1.034 496 S HN 0.684 nan 8.310 nan 0.000 0.483 497 P HA 0.284 nan 4.420 nan 0.000 0.271 497 P C -1.297 175.728 177.300 -0.458 0.000 1.216 497 P CA 0.078 62.570 63.100 -1.013 0.000 0.771 497 P CB 0.510 31.458 31.700 -1.254 0.000 0.864 498 D N 3.307 123.535 120.400 -0.287 0.000 2.763 498 D HA 0.272 4.913 4.640 0.002 0.000 0.235 498 D C -1.936 174.304 176.300 -0.099 0.000 1.334 498 D CA -1.941 51.960 54.000 -0.166 0.000 0.950 498 D CB 1.335 42.060 40.800 -0.126 0.000 1.433 498 D HN -0.046 nan 8.370 nan 0.000 0.580 499 P HA -0.210 nan 4.420 nan 0.000 0.214 499 P C 1.389 178.672 177.300 -0.029 0.000 1.169 499 P CA 0.814 63.886 63.100 -0.048 0.000 0.908 499 P CB 0.244 31.918 31.700 -0.045 0.000 0.791 500 V N -0.837 119.059 119.914 -0.030 0.000 2.667 500 V HA -0.112 4.009 4.120 0.002 0.000 0.252 500 V C 2.010 178.101 176.094 -0.005 0.000 1.065 500 V CA 1.679 63.970 62.300 -0.015 0.000 1.083 500 V CB -0.929 30.884 31.823 -0.016 0.000 0.692 500 V HN 0.114 nan 8.190 nan 0.000 0.468 501 R N -1.135 119.358 120.500 -0.011 0.000 2.476 501 R HA 0.403 4.744 4.340 0.002 0.000 0.276 501 R C 1.577 177.887 176.300 0.016 0.000 0.941 501 R CA 0.634 56.736 56.100 0.004 0.000 1.088 501 R CB 1.060 31.354 30.300 -0.010 0.000 1.216 501 R HN 0.473 nan 8.270 nan 0.000 0.533 502 G N 2.127 110.932 108.800 0.009 0.000 5.353 502 G HA2 -0.364 3.597 3.960 0.002 0.000 0.283 502 G HA3 -0.364 3.597 3.960 0.002 0.000 0.283 502 G C 0.040 174.957 174.900 0.029 0.000 1.457 502 G CA 0.450 45.572 45.100 0.036 0.000 0.951 502 G HN 0.454 nan 8.290 nan 0.000 0.731 503 E N -0.779 119.447 120.200 0.044 0.000 2.459 503 E HA 0.720 5.071 4.350 0.002 0.000 0.275 503 E C -0.567 176.028 176.600 -0.008 0.000 0.987 503 E CA -0.546 55.863 56.400 0.015 0.000 0.828 503 E CB 2.441 32.263 29.700 0.203 0.000 1.428 503 E HN 1.548 nan 8.360 nan 0.000 0.457 504 V N -2.236 117.654 119.914 -0.039 0.000 3.114 504 V HA 0.547 4.669 4.120 0.002 0.000 0.308 504 V C -0.438 175.614 176.094 -0.070 0.000 1.168 504 V CA -1.158 61.097 62.300 -0.075 0.000 1.015 504 V CB 1.459 33.200 31.823 -0.135 0.000 1.050 504 V HN 0.567 nan 8.190 nan 0.000 0.433 505 V N 2.255 122.099 119.914 -0.117 0.000 2.572 505 V HA 0.403 4.524 4.120 0.002 0.000 0.291 505 V C 0.220 176.223 176.094 -0.152 0.000 1.039 505 V CA 0.181 62.415 62.300 -0.111 0.000 1.055 505 V CB 0.905 32.636 31.823 -0.153 0.000 0.969 505 V HN 1.050 nan 8.190 nan 0.000 0.482 506 K N 3.774 124.120 120.400 -0.089 0.000 2.443 506 K HA 0.765 5.086 4.320 0.002 0.000 0.252 506 K C -0.858 175.688 176.600 -0.091 0.000 0.933 506 K CA -0.558 55.642 56.287 -0.145 0.000 0.792 506 K CB 1.915 34.319 32.500 -0.160 0.000 1.185 506 K HN 0.765 nan 8.250 nan 0.000 0.425 507 A N 4.288 127.004 122.820 -0.174 0.000 2.304 507 A HA 0.616 4.937 4.320 0.002 0.000 0.323 507 A C -1.276 176.187 177.584 -0.202 0.000 1.195 507 A CA -0.619 51.368 52.037 -0.084 0.000 0.826 507 A CB 0.144 19.098 19.000 -0.078 0.000 1.184 507 A HN 0.630 nan 8.150 nan 0.000 0.496 508 F N 1.920 121.836 119.950 -0.058 0.000 2.408 508 F HA 0.506 5.035 4.527 0.002 0.000 0.344 508 F C 0.153 175.944 175.800 -0.016 0.000 1.112 508 F CA -0.282 57.689 58.000 -0.048 0.000 1.096 508 F CB 1.989 40.975 39.000 -0.022 0.000 1.129 508 F HN 0.255 nan 8.300 nan 0.000 0.486 509 V N 4.505 124.501 119.914 0.136 0.000 2.531 509 V HA 0.341 4.462 4.120 0.002 0.000 0.301 509 V C -0.592 175.634 176.094 0.221 0.000 1.034 509 V CA -0.920 61.479 62.300 0.166 0.000 0.865 509 V CB 1.887 33.826 31.823 0.194 0.000 0.995 509 V HN 0.437 nan 8.190 nan 0.000 0.424 510 V N 6.455 126.451 119.914 0.138 0.000 2.385 510 V HA 0.354 4.476 4.120 0.002 0.000 0.269 510 V C 0.199 176.320 176.094 0.044 0.000 1.043 510 V CA -0.348 62.011 62.300 0.098 0.000 0.906 510 V CB 1.039 32.902 31.823 0.066 0.000 0.995 510 V HN 0.610 nan 8.190 nan 0.000 0.467 511 L N 4.221 125.450 121.223 0.009 0.000 2.397 511 L HA 0.510 4.852 4.340 0.002 0.000 0.271 511 L C 1.099 177.952 176.870 -0.028 0.000 1.148 511 L CA -0.227 54.567 54.840 -0.077 0.000 0.825 511 L CB 0.867 42.822 42.059 -0.175 0.000 1.117 511 L HN 0.765 nan 8.230 nan 0.000 0.456 512 A N 1.958 124.762 122.820 -0.026 0.000 2.587 512 A HA 0.034 4.355 4.320 0.002 0.000 0.233 512 A C 1.397 179.036 177.584 0.091 0.000 1.049 512 A CA 0.493 52.566 52.037 0.060 0.000 0.754 512 A CB 0.209 19.288 19.000 0.133 0.000 0.977 512 A HN 0.961 nan 8.150 nan 0.000 0.509 513 S N 1.000 116.737 115.700 0.062 0.000 2.399 513 S HA -0.270 4.201 4.470 0.002 0.000 0.231 513 S C 1.660 176.272 174.600 0.020 0.000 1.022 513 S CA 1.480 59.700 58.200 0.033 0.000 0.983 513 S CB -0.495 62.719 63.200 0.023 0.000 0.803 513 S HN 0.914 nan 8.310 nan 0.000 0.480 514 Q N -0.377 119.439 119.800 0.026 0.000 2.297 514 Q HA 0.045 4.386 4.340 0.002 0.000 0.204 514 Q C 1.277 177.132 176.000 -0.242 0.000 0.962 514 Q CA 0.814 56.572 55.803 -0.075 0.000 0.879 514 Q CB -0.599 28.075 28.738 -0.107 0.000 0.947 514 Q HN 0.637 nan 8.270 nan 0.000 0.462 515 F N 0.848 120.626 119.950 -0.287 0.000 2.780 515 F HA 0.162 4.690 4.527 0.002 0.000 0.299 515 F C 1.713 177.291 175.800 -0.370 0.000 1.146 515 F CA 0.245 57.848 58.000 -0.662 0.000 1.428 515 F CB 0.189 38.810 39.000 -0.632 0.000 1.115 515 F HN 0.004 nan 8.300 nan 0.000 0.583 516 L N -0.434 120.753 121.223 -0.060 0.000 2.201 516 L HA -0.200 4.141 4.340 0.002 0.000 0.212 516 L C 2.501 179.364 176.870 -0.012 0.000 1.105 516 L CA 1.432 56.238 54.840 -0.058 0.000 0.775 516 L CB -0.588 41.454 42.059 -0.029 0.000 0.913 516 L HN 0.223 nan 8.230 nan 0.000 0.440 517 S N -2.633 113.092 115.700 0.042 0.000 2.436 517 S HA -0.071 4.400 4.470 0.002 0.000 0.228 517 S C 0.795 175.460 174.600 0.109 0.000 1.014 517 S CA -0.159 58.079 58.200 0.064 0.000 0.950 517 S CB -0.479 62.751 63.200 0.050 0.000 0.784 517 S HN 0.315 nan 8.310 nan 0.000 0.504 518 H N 2.915 121.940 119.070 -0.076 0.000 2.948 518 H HA 0.292 4.850 4.556 0.002 0.000 0.351 518 H C 0.074 175.381 175.328 -0.035 0.000 1.079 518 H CA -0.175 55.842 56.048 -0.051 0.000 1.407 518 H CB -0.053 29.706 29.762 -0.005 0.000 1.373 518 H HN 0.259 nan 8.280 nan 0.000 0.605 519 D N 4.122 124.572 120.400 0.083 0.000 2.412 519 D HA -0.041 4.600 4.640 0.002 0.000 0.257 519 D C -1.540 174.823 176.300 0.106 0.000 1.217 519 D CA -1.511 52.530 54.000 0.067 0.000 0.897 519 D CB 0.922 41.745 40.800 0.039 0.000 1.132 519 D HN 0.313 nan 8.370 nan 0.000 0.493 520 P HA -0.107 nan 4.420 nan 0.000 0.217 520 P C 1.190 178.665 177.300 0.291 0.000 1.151 520 P CA 0.568 63.806 63.100 0.231 0.000 0.828 520 P CB 0.316 32.186 31.700 0.284 0.000 0.788 521 E N -0.421 119.879 120.200 0.167 0.000 2.058 521 E HA -0.233 4.119 4.350 0.002 0.000 0.194 521 E C 2.775 179.442 176.600 0.110 0.000 0.997 521 E CA 2.038 58.505 56.400 0.113 0.000 0.801 521 E CB -1.593 28.147 29.700 0.067 0.000 0.746 521 E HN 0.573 nan 8.360 nan 0.000 0.450 522 Q N -0.037 119.826 119.800 0.105 0.000 2.046 522 Q HA -0.006 4.336 4.340 0.002 0.000 0.200 522 Q C 2.247 178.326 176.000 0.131 0.000 0.975 522 Q CA 1.853 57.714 55.803 0.096 0.000 0.836 522 Q CB -0.931 27.852 28.738 0.075 0.000 0.896 522 Q HN 0.381 nan 8.270 nan 0.000 0.428 523 L N 0.781 122.108 121.223 0.174 0.000 2.083 523 L HA -0.099 4.243 4.340 0.002 0.000 0.209 523 L C 2.481 179.477 176.870 0.211 0.000 1.083 523 L CA 2.752 57.706 54.840 0.192 0.000 0.752 523 L CB -0.820 41.331 42.059 0.153 0.000 0.899 523 L HN 0.466 nan 8.230 nan 0.000 0.433 524 T N -0.890 113.823 114.554 0.266 0.000 2.720 524 T HA -0.211 4.141 4.350 0.002 0.000 0.268 524 T C 2.075 176.824 174.700 0.082 0.000 1.037 524 T CA 1.727 63.914 62.100 0.145 0.000 1.144 524 T CB -0.136 68.762 68.868 0.050 0.000 0.864 524 T HN 0.245 nan 8.240 nan 0.000 0.444 525 K N 0.855 121.303 120.400 0.080 0.000 2.025 525 K HA -0.031 4.291 4.320 0.002 0.000 0.207 525 K C 2.303 178.939 176.600 0.060 0.000 1.049 525 K CA 1.245 57.566 56.287 0.055 0.000 0.933 525 K CB -0.562 31.964 32.500 0.043 0.000 0.714 525 K HN 0.648 nan 8.250 nan 0.000 0.438 526 E N 0.304 120.552 120.200 0.081 0.000 2.118 526 E HA -0.181 4.170 4.350 0.002 0.000 0.195 526 E C 2.024 178.680 176.600 0.092 0.000 0.992 526 E CA 1.363 57.825 56.400 0.102 0.000 0.804 526 E CB -0.097 29.686 29.700 0.138 0.000 0.741 526 E HN 0.322 nan 8.360 nan 0.000 0.458 527 L N 0.154 121.389 121.223 0.020 0.000 2.044 527 L HA -0.176 4.165 4.340 0.002 0.000 0.205 527 L C 2.750 179.685 176.870 0.108 0.000 1.075 527 L CA 1.131 55.971 54.840 -0.000 0.000 0.747 527 L CB -0.395 41.627 42.059 -0.060 0.000 0.903 527 L HN 0.183 nan 8.230 nan 0.000 0.435 528 Q N -0.274 119.582 119.800 0.093 0.000 2.030 528 Q HA -0.305 4.037 4.340 0.002 0.000 0.204 528 Q C 2.539 178.550 176.000 0.018 0.000 0.986 528 Q CA 2.543 58.427 55.803 0.134 0.000 0.843 528 Q CB -0.391 28.444 28.738 0.162 0.000 0.904 528 Q HN 0.638 nan 8.270 nan 0.000 0.420 529 Q N 0.481 120.277 119.800 -0.007 0.000 2.124 529 Q HA -0.242 4.100 4.340 0.002 0.000 0.202 529 Q C 1.590 177.606 176.000 0.028 0.000 0.977 529 Q CA 2.113 57.895 55.803 -0.036 0.000 0.850 529 Q CB -1.124 27.611 28.738 -0.005 0.000 0.901 529 Q HN 0.705 nan 8.270 nan 0.000 0.429 530 H N -0.526 118.557 119.070 0.023 0.000 2.387 530 H HA -0.012 4.546 4.556 0.002 0.000 0.299 530 H C 1.876 177.224 175.328 0.034 0.000 1.090 530 H CA 1.789 57.870 56.048 0.056 0.000 1.332 530 H CB 0.009 29.858 29.762 0.144 0.000 1.386 530 H HN 0.280 nan 8.280 nan 0.000 0.516 531 V N 0.808 120.670 119.914 -0.085 0.000 2.453 531 V HA -0.168 3.953 4.120 0.002 0.000 0.247 531 V C 2.199 178.215 176.094 -0.130 0.000 1.048 531 V CA 1.920 64.135 62.300 -0.140 0.000 1.049 531 V CB -0.360 31.472 31.823 0.016 0.000 0.672 531 V HN 0.409 nan 8.190 nan 0.000 0.457 532 K N 0.774 121.118 120.400 -0.094 0.000 2.281 532 K HA -0.159 4.162 4.320 0.002 0.000 0.203 532 K C 2.258 178.785 176.600 -0.120 0.000 1.046 532 K CA 1.718 57.932 56.287 -0.121 0.000 0.938 532 K CB -0.208 32.174 32.500 -0.198 0.000 0.737 532 K HN 0.669 nan 8.250 nan 0.000 0.458 533 S N 0.579 116.199 115.700 -0.134 0.000 2.371 533 S HA -0.080 4.391 4.470 0.002 0.000 0.221 533 S C 2.184 176.706 174.600 -0.131 0.000 1.036 533 S CA 0.832 58.964 58.200 -0.114 0.000 0.965 533 S CB -0.683 62.467 63.200 -0.084 0.000 0.845 533 S HN 0.182 nan 8.310 nan 0.000 0.475 534 V N -0.685 119.103 119.914 -0.210 0.000 2.913 534 V HA 0.191 4.313 4.120 0.002 0.000 0.260 534 V C 0.938 176.963 176.094 -0.116 0.000 1.098 534 V CA 1.166 63.365 62.300 -0.168 0.000 1.121 534 V CB -1.213 30.471 31.823 -0.232 0.000 0.714 534 V HN 0.592 nan 8.190 nan 0.000 0.487 535 T N -1.360 113.120 114.554 -0.124 0.000 2.665 535 T HA 0.652 5.004 4.350 0.002 0.000 0.303 535 T C -0.602 174.011 174.700 -0.146 0.000 1.334 535 T CA -0.018 62.010 62.100 -0.121 0.000 1.011 535 T CB 1.270 70.057 68.868 -0.136 0.000 1.573 535 T HN 0.941 nan 8.240 nan 0.000 0.492 536 A N 2.341 125.037 122.820 -0.207 0.000 2.546 536 A HA 0.404 4.725 4.320 0.002 0.000 0.243 536 A C -1.546 175.879 177.584 -0.266 0.000 1.063 536 A CA -0.508 51.384 52.037 -0.241 0.000 0.757 536 A CB -0.473 18.273 19.000 -0.424 0.000 0.991 536 A HN 0.675 nan 8.150 nan 0.000 0.503 537 P HA -0.236 nan 4.420 nan 0.000 0.217 537 P C 1.019 178.338 177.300 0.032 0.000 1.148 537 P CA 2.055 65.125 63.100 -0.050 0.000 0.834 537 P CB -0.185 31.491 31.700 -0.040 0.000 0.783 538 Y N -0.676 119.572 120.300 -0.086 0.000 2.574 538 Y HA 0.028 4.580 4.550 0.002 0.000 0.294 538 Y C 1.468 177.304 175.900 -0.108 0.000 1.142 538 Y CA 0.803 58.769 58.100 -0.224 0.000 1.314 538 Y CB -1.209 36.839 38.460 -0.687 0.000 0.991 538 Y HN -0.116 nan 8.280 nan 0.000 0.555 539 K N 0.460 120.596 120.400 -0.440 0.000 2.400 539 K HA 0.018 4.340 4.320 0.002 0.000 0.194 539 K C -0.051 176.480 176.600 -0.116 0.000 1.033 539 K CA 0.005 56.121 56.287 -0.285 0.000 1.021 539 K CB -0.176 32.101 32.500 -0.372 0.000 0.808 539 K HN 0.522 nan 8.250 nan 0.000 0.505 540 Y N 2.104 122.311 120.300 -0.155 0.000 2.480 540 Y HA 0.127 4.678 4.550 0.002 0.000 0.338 540 Y C -2.462 173.390 175.900 -0.081 0.000 1.220 540 Y CA -2.821 55.214 58.100 -0.107 0.000 1.430 540 Y CB -0.089 38.314 38.460 -0.095 0.000 1.311 540 Y HN -0.114 nan 8.280 nan 0.000 0.575 541 P HA 0.098 nan 4.420 nan 0.000 0.269 541 P C -0.439 176.566 177.300 -0.491 0.000 1.263 541 P CA 0.124 63.038 63.100 -0.309 0.000 0.813 541 P CB 0.764 32.379 31.700 -0.143 0.000 0.868 542 R N 2.263 122.368 120.500 -0.657 0.000 2.189 542 R HA 0.017 4.359 4.340 0.002 0.000 0.218 542 R C 0.677 176.829 176.300 -0.246 0.000 1.074 542 R CA 0.900 56.673 56.100 -0.544 0.000 0.991 542 R CB 0.026 30.059 30.300 -0.445 0.000 0.883 542 R HN 0.486 nan 8.270 nan 0.000 0.457 543 K N 0.994 121.241 120.400 -0.255 0.000 2.270 543 K HA 0.472 4.794 4.320 0.002 0.000 0.255 543 K C -0.745 175.673 176.600 -0.303 0.000 0.936 543 K CA -0.425 55.714 56.287 -0.247 0.000 0.809 543 K CB 2.446 34.796 32.500 -0.250 0.000 1.131 543 K HN -0.094 nan 8.250 nan 0.000 0.427 544 I N 1.967 122.323 120.570 -0.357 0.000 2.499 544 I HA 0.214 4.385 4.170 0.002 0.000 0.288 544 I C -0.740 174.979 176.117 -0.663 0.000 1.048 544 I CA -0.566 60.441 61.300 -0.488 0.000 1.062 544 I CB 2.201 39.927 38.000 -0.458 0.000 1.238 544 I HN 0.626 nan 8.210 nan 0.000 0.426 545 E N 5.993 125.755 120.200 -0.729 0.000 2.187 545 E HA 0.484 4.835 4.350 0.002 0.000 0.268 545 E C -1.604 174.713 176.600 -0.471 0.000 0.896 545 E CA -0.672 55.351 56.400 -0.628 0.000 0.766 545 E CB 1.555 30.889 29.700 -0.610 0.000 1.142 545 E HN 0.258 nan 8.360 nan 0.000 0.408 546 F N 3.509 123.419 119.950 -0.067 0.000 2.404 546 F HA 0.338 4.866 4.527 0.002 0.000 0.345 546 F C 0.316 176.136 175.800 0.034 0.000 1.110 546 F CA -0.579 57.414 58.000 -0.012 0.000 1.130 546 F CB 1.295 40.288 39.000 -0.012 0.000 1.129 546 F HN 0.189 nan 8.300 nan 0.000 0.500 547 V N 1.565 121.635 119.914 0.260 0.000 3.078 547 V HA 0.482 4.603 4.120 0.002 0.000 0.311 547 V C -0.107 176.070 176.094 0.138 0.000 1.138 547 V CA -1.021 61.394 62.300 0.190 0.000 1.007 547 V CB 2.076 34.033 31.823 0.223 0.000 1.045 547 V HN 0.743 nan 8.190 nan 0.000 0.432 548 L N 1.507 122.789 121.223 0.099 0.000 2.446 548 L HA 0.320 4.661 4.340 0.002 0.000 0.219 548 L C 0.799 177.701 176.870 0.053 0.000 1.116 548 L CA 0.671 55.551 54.840 0.067 0.000 0.844 548 L CB -0.273 41.816 42.059 0.051 0.000 0.970 548 L HN 1.023 nan 8.230 nan 0.000 0.457 549 N N -0.806 117.926 118.700 0.055 0.000 2.859 549 N HA 0.313 5.055 4.740 0.002 0.000 0.250 549 N C -1.562 173.963 175.510 0.025 0.000 1.341 549 N CA -0.666 52.405 53.050 0.034 0.000 0.881 549 N CB 1.784 40.282 38.487 0.017 0.000 1.516 549 N HN -0.135 nan 8.380 nan 0.000 0.503 550 L N 0.237 121.463 121.223 0.004 0.000 2.331 550 L HA 0.580 4.921 4.340 0.002 0.000 0.275 550 L C -2.187 174.655 176.870 -0.048 0.000 1.022 550 L CA -2.003 52.817 54.840 -0.034 0.000 0.812 550 L CB 1.738 43.781 42.059 -0.028 0.000 1.257 550 L HN 0.428 nan 8.230 nan 0.000 0.435 551 P HA 0.253 nan 4.420 nan 0.000 0.276 551 P C -1.342 175.920 177.300 -0.064 0.000 1.230 551 P CA -0.261 62.797 63.100 -0.071 0.000 0.776 551 P CB 0.859 32.504 31.700 -0.093 0.000 0.888 552 K N 0.673 121.042 120.400 -0.051 0.000 2.482 552 K HA 0.470 4.791 4.320 0.002 0.000 0.257 552 K C 0.330 176.903 176.600 -0.046 0.000 0.969 552 K CA -0.741 55.518 56.287 -0.046 0.000 0.842 552 K CB 1.893 34.372 32.500 -0.034 0.000 1.359 552 K HN 0.442 nan 8.250 nan 0.000 0.441 553 T N -2.435 112.093 114.554 -0.044 0.000 2.754 553 T HA 0.073 4.424 4.350 0.002 0.000 0.286 553 T C 1.726 176.411 174.700 -0.024 0.000 0.997 553 T CA -0.328 61.748 62.100 -0.040 0.000 0.982 553 T CB 0.562 69.408 68.868 -0.038 0.000 1.027 553 T HN 0.399 nan 8.240 nan 0.000 0.529 554 V N -0.973 118.932 119.914 -0.015 0.000 2.278 554 V HA -0.193 3.928 4.120 0.002 0.000 0.251 554 V C 2.389 178.498 176.094 0.025 0.000 1.062 554 V CA 2.302 64.604 62.300 0.004 0.000 1.038 554 V CB -2.443 29.391 31.823 0.018 0.000 0.646 554 V HN 1.138 nan 8.190 nan 0.000 0.447 555 T N -2.594 111.988 114.554 0.046 0.000 3.272 555 T HA 0.487 4.839 4.350 0.002 0.000 0.250 555 T C 1.459 176.165 174.700 0.009 0.000 1.082 555 T CA 0.724 62.866 62.100 0.070 0.000 0.968 555 T CB -0.143 68.808 68.868 0.138 0.000 1.015 555 T HN 1.832 nan 8.240 nan 0.000 0.563 556 G N 0.920 109.713 108.800 -0.011 0.000 2.157 556 G HA2 -0.216 3.745 3.960 0.002 0.000 0.248 556 G HA3 -0.216 3.745 3.960 0.002 0.000 0.248 556 G C 0.080 174.959 174.900 -0.036 0.000 0.979 556 G CA -0.206 44.880 45.100 -0.023 0.000 0.650 556 G HN 0.574 nan 8.290 nan 0.000 0.529 557 K N 0.340 120.712 120.400 -0.048 0.000 2.237 557 K HA 0.494 4.815 4.320 0.002 0.000 0.270 557 K C 1.003 177.575 176.600 -0.047 0.000 1.015 557 K CA -0.499 55.755 56.287 -0.055 0.000 0.949 557 K CB 0.651 33.107 32.500 -0.073 0.000 0.976 557 K HN 0.328 nan 8.250 nan 0.000 0.472 558 I N 2.787 123.332 120.570 -0.043 0.000 2.529 558 I HA -0.019 4.152 4.170 0.002 0.000 0.284 558 I C 0.723 176.806 176.117 -0.057 0.000 1.082 558 I CA 0.227 61.499 61.300 -0.047 0.000 1.406 558 I CB 0.575 38.552 38.000 -0.037 0.000 1.405 558 I HN 0.272 nan 8.210 nan 0.000 0.548 559 Q N 5.972 125.728 119.800 -0.073 0.000 2.655 559 Q HA 0.265 4.606 4.340 0.002 0.000 0.228 559 Q C 0.803 176.747 176.000 -0.093 0.000 1.186 559 Q CA -0.264 55.492 55.803 -0.078 0.000 1.004 559 Q CB 0.734 29.424 28.738 -0.081 0.000 1.242 559 Q HN 0.463 nan 8.270 nan 0.000 0.558 560 R N 0.811 121.266 120.500 -0.075 0.000 2.105 560 R HA -0.210 4.131 4.340 0.002 0.000 0.239 560 R C 1.944 178.198 176.300 -0.076 0.000 1.135 560 R CA 1.585 57.641 56.100 -0.073 0.000 0.967 560 R CB -0.104 30.174 30.300 -0.037 0.000 0.861 560 R HN 0.559 nan 8.270 nan 0.000 0.442 561 A N 1.138 123.913 122.820 -0.074 0.000 1.877 561 A HA -0.207 4.114 4.320 0.002 0.000 0.216 561 A C 2.006 179.542 177.584 -0.080 0.000 1.186 561 A CA 1.396 53.385 52.037 -0.080 0.000 0.620 561 A CB -0.380 18.571 19.000 -0.082 0.000 0.822 561 A HN 0.212 nan 8.150 nan 0.000 0.443 562 K N -0.338 120.010 120.400 -0.086 0.000 2.044 562 K HA -0.154 4.167 4.320 0.002 0.000 0.210 562 K C 1.943 178.485 176.600 -0.097 0.000 1.049 562 K CA 1.716 57.952 56.287 -0.086 0.000 0.927 562 K CB -0.374 32.070 32.500 -0.093 0.000 0.713 562 K HN 0.502 nan 8.250 nan 0.000 0.443 563 L N 0.161 121.290 121.223 -0.157 0.000 2.012 563 L HA -0.211 4.131 4.340 0.002 0.000 0.210 563 L C 2.834 179.671 176.870 -0.054 0.000 1.073 563 L CA 1.492 56.188 54.840 -0.241 0.000 0.748 563 L CB -0.497 41.273 42.059 -0.482 0.000 0.891 563 L HN 0.265 nan 8.230 nan 0.000 0.431 564 R N 0.221 120.721 120.500 0.000 0.000 2.083 564 R HA -0.197 4.144 4.340 0.002 0.000 0.237 564 R C 1.921 178.311 176.300 0.150 0.000 1.137 564 R CA 2.046 58.215 56.100 0.115 0.000 0.951 564 R CB -0.166 30.128 30.300 -0.009 0.000 0.851 564 R HN 0.329 nan 8.270 nan 0.000 0.434 565 D N -0.014 120.401 120.400 0.024 0.000 2.144 565 D HA -0.153 4.488 4.640 0.002 0.000 0.199 565 D C 1.638 178.006 176.300 0.112 0.000 0.984 565 D CA 1.221 55.242 54.000 0.036 0.000 0.834 565 D CB -0.013 40.775 40.800 -0.021 0.000 0.955 565 D HN 0.249 nan 8.370 nan 0.000 0.465 566 K N 0.139 120.591 120.400 0.088 0.000 2.116 566 K HA -0.102 4.219 4.320 0.002 0.000 0.203 566 K C 1.900 178.586 176.600 0.143 0.000 1.052 566 K CA 0.613 56.952 56.287 0.087 0.000 0.952 566 K CB 0.204 32.725 32.500 0.036 0.000 0.729 566 K HN -0.149 nan 8.250 nan 0.000 0.446 567 E N 0.010 120.334 120.200 0.207 0.000 2.118 567 E HA -0.169 4.182 4.350 0.002 0.000 0.195 567 E C -0.458 176.211 176.600 0.116 0.000 0.992 567 E CA 1.029 57.547 56.400 0.198 0.000 0.804 567 E CB -0.065 29.802 29.700 0.278 0.000 0.741 567 E HN 0.207 nan 8.360 nan 0.000 0.458 568 W N 2.077 123.389 121.300 0.020 0.000 2.351 568 W HA 0.332 4.993 4.660 0.002 0.000 0.421 568 W C 0.910 177.431 176.519 0.003 0.000 1.000 568 W CA 0.373 57.722 57.345 0.007 0.000 1.610 568 W CB -1.047 28.412 29.460 -0.001 0.000 1.700 568 W HN 0.011 nan 8.180 nan 0.000 0.351 569 K N 0.000 120.451 120.400 0.086 0.000 2.780 569 K HA 0.000 4.321 4.320 0.002 0.000 0.191 569 K CA 0.000 56.321 56.287 0.057 0.000 0.838 569 K CB 0.000 32.511 32.500 0.018 0.000 1.064 569 K HN 0.000 nan 8.250 nan 0.000 0.543