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 3hii_1_A DATA FIRST_RESID 27 DATA SEQUENCE PRKAGVFSDL SNQELKAVHS FLWSKKELRL QPSSTTTMAK NTVFLIEMLL DATA SEQUENCE PKKYHVLRFL DKGERHPVRE ARAVIFFGDQ EHPNVTEFAV GPLPGPCYMR DATA SEQUENCE ALSPRPGYQS SWASRPISTA EYALLYHTLQ EATKPLHQFF LNTTGFSFQD DATA SEQUENCE cHDRcLAFTD VAPRGVASGQ RRSWLIIQRY VEGYFLHPTG LELLVDHGST DATA SEQUENCE DAGHWAVEQV WYNGKFYGSP EELARKYADG EVDVVVLEDP LXXXXXXXXX DATA SEQUENCE XEPPLFSSHK PRGDFPSPIH VSGPRLVQPH GPRFRLEGNA VLYGGWSFAF DATA SEQUENCE RLRSSSGLQV LNVHFGGERI AYEVSVQEAV ALYGGHTPAG MQTKYLDVGW DATA SEQUENCE GLGSVTHELA PGIDcPETAT FLDTFHYYDA DDPVHYPRAL cLFEMPTGVP DATA SEQUENCE LRRHFNSNFK GGFNFYAGLK GQVLVLRTTS TVYNXDYIWD FIFYPNGVME DATA SEQUENCE AKMHATGYVH ATFYTPEGLR HGTRLHTHLI GNIHTHLVHY RVDLDVAGTK DATA SEQUENCE NSFQTLQMKL ENITNPWSPR HRVVQPTLEQ TQYSWERQAA FRFKRKLPKY DATA SEQUENCE LLFTSPQENP WGHKRSYRLQ IHSMADQVLP PGWQEEQAIT WARYPLAVTK DATA SEQUENCE YRESELCSSS IYHQNDPWDP PVVFEQFLHN NENIENEDLV AWVTVGFLHI DATA SEQUENCE PHSEDIPNTA TPGNSVGFLL RPFNFFPEDP SLASRDTVIV WPRDNGPNYV DATA SEQUENCE QRWIPEDRDC SMPPPFSYNG TYRPV 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 27 P HA 0.000 nan 4.420 nan 0.000 0.216 27 P C 0.000 177.306 177.300 0.009 0.000 1.155 27 P CA 0.000 63.089 63.100 -0.018 0.000 0.800 27 P CB 0.000 31.689 31.700 -0.018 0.000 0.726 28 R N 1.551 122.067 120.500 0.026 0.000 2.148 28 R HA 0.015 4.357 4.340 0.004 0.000 0.227 28 R C 1.904 178.281 176.300 0.128 0.000 1.103 28 R CA 2.044 58.184 56.100 0.065 0.000 0.983 28 R CB -1.180 29.163 30.300 0.071 0.000 0.874 28 R HN 0.372 nan 8.270 nan 0.000 0.451 29 K N 0.139 120.600 120.400 0.102 0.000 2.147 29 K HA 0.025 4.347 4.320 0.004 0.000 0.205 29 K C 2.482 179.166 176.600 0.141 0.000 1.049 29 K CA 1.078 57.452 56.287 0.145 0.000 0.936 29 K CB -0.200 32.236 32.500 -0.107 0.000 0.722 29 K HN 0.437 nan 8.250 nan 0.000 0.446 30 A N 1.392 124.274 122.820 0.103 0.000 2.070 30 A HA -0.089 4.234 4.320 0.004 0.000 0.220 30 A C 2.333 179.977 177.584 0.101 0.000 1.159 30 A CA 1.655 53.785 52.037 0.155 0.000 0.656 30 A CB -0.988 18.057 19.000 0.074 0.000 0.800 30 A HN 0.419 nan 8.150 nan 0.000 0.453 31 G N -0.598 108.246 108.800 0.074 0.000 2.485 31 G HA2 -0.199 3.763 3.960 0.004 0.000 0.221 31 G HA3 -0.199 3.763 3.960 0.004 0.000 0.221 31 G C 1.529 176.450 174.900 0.036 0.000 1.115 31 G CA 1.110 46.246 45.100 0.061 0.000 0.751 31 G HN 0.488 nan 8.290 nan 0.000 0.567 32 V N -0.094 119.783 119.914 -0.062 0.000 2.469 32 V HA -0.071 4.051 4.120 0.004 0.000 0.251 32 V C 2.134 178.048 176.094 -0.301 0.000 1.064 32 V CA 1.578 63.716 62.300 -0.269 0.000 1.066 32 V CB -0.398 31.056 31.823 -0.614 0.000 0.667 32 V HN 0.356 nan 8.190 nan 0.000 0.461 33 F N 0.824 120.783 119.950 0.015 0.000 2.765 33 F HA 0.277 4.807 4.527 0.004 0.000 0.302 33 F C 1.486 177.263 175.800 -0.038 0.000 1.111 33 F CA 0.271 58.260 58.000 -0.019 0.000 1.359 33 F CB -0.704 38.260 39.000 -0.060 0.000 1.097 33 F HN 0.206 nan 8.300 nan 0.000 0.577 34 S N -0.262 115.488 115.700 0.084 0.000 2.580 34 S HA 0.152 4.624 4.470 0.004 0.000 0.274 34 S C 0.000 174.622 174.600 0.036 0.000 1.329 34 S CA -1.078 57.134 58.200 0.020 0.000 1.036 34 S CB 0.895 64.087 63.200 -0.012 0.000 0.919 34 S HN 0.041 nan 8.310 nan 0.000 0.515 35 D N 1.315 121.736 120.400 0.034 0.000 2.362 35 D HA 0.159 4.801 4.640 0.004 0.000 0.238 35 D C 0.392 176.715 176.300 0.038 0.000 1.212 35 D CA 0.021 54.053 54.000 0.053 0.000 0.902 35 D CB 0.374 41.213 40.800 0.066 0.000 1.180 35 D HN 0.533 nan 8.370 nan 0.000 0.445 36 L N 1.119 122.367 121.223 0.042 0.000 2.453 36 L HA 0.041 4.384 4.340 0.004 0.000 0.272 36 L C 1.271 178.145 176.870 0.007 0.000 1.182 36 L CA -0.248 54.601 54.840 0.015 0.000 0.858 36 L CB 0.438 42.507 42.059 0.016 0.000 1.120 36 L HN 0.375 nan 8.230 nan 0.000 0.474 37 S N 1.256 116.935 115.700 -0.036 0.000 2.624 37 S HA 0.039 4.511 4.470 0.004 0.000 0.263 37 S C 0.900 175.372 174.600 -0.212 0.000 1.287 37 S CA -0.513 57.636 58.200 -0.086 0.000 0.990 37 S CB 0.994 64.141 63.200 -0.088 0.000 0.950 37 S HN 0.687 nan 8.310 nan 0.000 0.561 38 N N 1.361 119.758 118.700 -0.504 0.000 2.094 38 N HA -0.203 4.540 4.740 0.004 0.000 0.191 38 N C 2.423 177.722 175.510 -0.351 0.000 1.023 38 N CA 2.516 55.098 53.050 -0.779 0.000 0.857 38 N CB -1.173 36.454 38.487 -1.434 0.000 1.013 38 N HN 0.848 nan 8.380 nan 0.000 0.426 39 Q N 0.572 120.224 119.800 -0.247 0.000 2.050 39 Q HA -0.132 4.210 4.340 0.004 0.000 0.202 39 Q C 2.136 178.068 176.000 -0.112 0.000 0.980 39 Q CA 1.972 57.687 55.803 -0.146 0.000 0.840 39 Q CB -1.048 27.624 28.738 -0.111 0.000 0.898 39 Q HN 0.742 nan 8.270 nan 0.000 0.424 40 E N 0.144 120.279 120.200 -0.108 0.000 2.072 40 E HA -0.050 4.302 4.350 0.004 0.000 0.191 40 E C 2.207 178.760 176.600 -0.078 0.000 0.985 40 E CA 0.979 57.327 56.400 -0.086 0.000 0.801 40 E CB -0.166 29.489 29.700 -0.075 0.000 0.750 40 E HN 0.597 nan 8.360 nan 0.000 0.452 41 L N 1.052 122.224 121.223 -0.085 0.000 2.012 41 L HA -0.249 4.094 4.340 0.004 0.000 0.210 41 L C 2.408 179.229 176.870 -0.082 0.000 1.073 41 L CA 1.470 56.258 54.840 -0.086 0.000 0.748 41 L CB -0.351 41.678 42.059 -0.050 0.000 0.891 41 L HN 0.040 nan 8.230 nan 0.000 0.431 42 K N -0.168 120.195 120.400 -0.062 0.000 2.057 42 K HA -0.161 4.161 4.320 0.004 0.000 0.207 42 K C 2.225 178.820 176.600 -0.008 0.000 1.049 42 K CA 1.377 57.653 56.287 -0.019 0.000 0.931 42 K CB -0.304 32.172 32.500 -0.039 0.000 0.714 42 K HN 0.309 nan 8.250 nan 0.000 0.440 43 A N 0.922 123.725 122.820 -0.029 0.000 1.933 43 A HA -0.122 4.200 4.320 0.004 0.000 0.218 43 A C 2.353 179.951 177.584 0.024 0.000 1.175 43 A CA 1.404 53.432 52.037 -0.016 0.000 0.628 43 A CB -0.561 18.408 19.000 -0.050 0.000 0.814 43 A HN 0.076 nan 8.150 nan 0.000 0.444 44 V N -0.703 119.215 119.914 0.007 0.000 2.323 44 V HA -0.253 3.869 4.120 0.004 0.000 0.244 44 V C 2.423 178.606 176.094 0.149 0.000 1.041 44 V CA 2.066 64.397 62.300 0.051 0.000 1.025 44 V CB -0.975 30.843 31.823 -0.010 0.000 0.656 44 V HN 0.801 nan 8.190 nan 0.000 0.451 45 H N -0.430 118.601 119.070 -0.064 0.000 2.352 45 H HA -0.182 4.377 4.556 0.004 0.000 0.299 45 H C 2.619 177.983 175.328 0.060 0.000 1.097 45 H CA 1.649 57.660 56.048 -0.062 0.000 1.311 45 H CB 0.229 29.855 29.762 -0.225 0.000 1.377 45 H HN 0.468 nan 8.280 nan 0.000 0.504 46 S N -0.066 115.628 115.700 -0.010 0.000 2.368 46 S HA -0.198 4.274 4.470 0.004 0.000 0.225 46 S C 2.071 176.726 174.600 0.092 0.000 1.030 46 S CA 1.286 59.469 58.200 -0.028 0.000 0.999 46 S CB -0.722 62.472 63.200 -0.010 0.000 0.844 46 S HN 0.499 nan 8.310 nan 0.000 0.459 47 F N 2.046 121.993 119.950 -0.005 0.000 2.134 47 F HA 0.007 4.536 4.527 0.004 0.000 0.299 47 F C 1.825 177.637 175.800 0.020 0.000 1.097 47 F CA 1.562 59.560 58.000 -0.003 0.000 1.264 47 F CB -0.420 38.560 39.000 -0.034 0.000 1.001 47 F HN 0.211 nan 8.300 nan 0.000 0.479 48 L N -1.417 119.828 121.223 0.036 0.000 2.017 48 L HA -0.228 4.114 4.340 0.004 0.000 0.208 48 L C 2.257 179.080 176.870 -0.077 0.000 1.073 48 L CA 1.413 56.214 54.840 -0.065 0.000 0.745 48 L CB -0.977 41.163 42.059 0.135 0.000 0.894 48 L HN 0.237 nan 8.230 nan 0.000 0.432 49 W N 0.272 121.447 121.300 -0.208 0.000 2.421 49 W HA -0.168 4.494 4.660 0.004 0.000 0.270 49 W C 3.000 179.414 176.519 -0.175 0.000 1.233 49 W CA 1.468 58.696 57.345 -0.194 0.000 1.226 49 W CB -0.565 28.742 29.460 -0.255 0.000 1.121 49 W HN 0.255 nan 8.180 nan 0.000 0.579 50 S N -0.333 115.349 115.700 -0.030 0.000 2.481 50 S HA -0.032 4.441 4.470 0.004 0.000 0.231 50 S C 0.884 175.385 174.600 -0.165 0.000 0.996 50 S CA 0.514 58.663 58.200 -0.085 0.000 0.942 50 S CB -0.256 62.891 63.200 -0.089 0.000 0.768 50 S HN -0.129 nan 8.310 nan 0.000 0.520 51 K N 2.071 122.319 120.400 -0.253 0.000 2.183 51 K HA 0.305 4.628 4.320 0.004 0.000 0.272 51 K C 0.234 176.731 176.600 -0.172 0.000 1.113 51 K CA -0.146 56.003 56.287 -0.231 0.000 0.949 51 K CB 1.026 33.347 32.500 -0.297 0.000 1.365 51 K HN 0.084 nan 8.250 nan 0.000 0.420 52 K N 1.619 121.943 120.400 -0.126 0.000 2.209 52 K HA -0.167 4.156 4.320 0.004 0.000 0.204 52 K C 1.638 178.178 176.600 -0.100 0.000 1.048 52 K CA 1.124 57.343 56.287 -0.112 0.000 0.940 52 K CB 0.170 32.625 32.500 -0.074 0.000 0.729 52 K HN 0.531 nan 8.250 nan 0.000 0.451 53 E N 0.762 120.913 120.200 -0.080 0.000 2.338 53 E HA -0.175 4.177 4.350 0.004 0.000 0.197 53 E C 1.414 177.997 176.600 -0.028 0.000 1.007 53 E CA 0.934 57.302 56.400 -0.052 0.000 0.849 53 E CB -0.348 29.327 29.700 -0.043 0.000 0.774 53 E HN 0.347 nan 8.360 nan 0.000 0.506 54 L N 0.155 121.352 121.223 -0.044 0.000 2.395 54 L HA 0.125 4.467 4.340 0.004 0.000 0.218 54 L C 0.767 177.630 176.870 -0.010 0.000 1.130 54 L CA 0.232 55.093 54.840 0.036 0.000 0.826 54 L CB -0.432 41.607 42.059 -0.033 0.000 0.941 54 L HN -0.024 nan 8.230 nan 0.000 0.451 55 R N 0.385 120.821 120.500 -0.107 0.000 3.333 55 R HA -0.168 4.174 4.340 0.004 0.000 0.256 55 R C -0.469 175.706 176.300 -0.208 0.000 1.010 55 R CA 0.178 56.198 56.100 -0.133 0.000 0.680 55 R CB -2.209 28.063 30.300 -0.046 0.000 1.102 55 R HN 0.289 nan 8.270 nan 0.000 0.440 56 L N 1.105 122.077 121.223 -0.418 0.000 2.380 56 L HA 0.138 4.480 4.340 0.004 0.000 0.273 56 L C 0.934 177.435 176.870 -0.615 0.000 1.138 56 L CA 0.397 54.919 54.840 -0.529 0.000 0.832 56 L CB 0.869 42.430 42.059 -0.831 0.000 1.124 56 L HN 0.232 nan 8.230 nan 0.000 0.454 57 Q N 3.629 123.318 119.800 -0.185 0.000 2.416 57 Q HA 0.484 4.826 4.340 0.004 0.000 0.279 57 Q C -2.423 173.787 176.000 0.350 0.000 1.101 57 Q CA -2.064 53.770 55.803 0.053 0.000 0.830 57 Q CB 1.933 30.717 28.738 0.076 0.000 1.402 57 Q HN 0.338 nan 8.270 nan 0.000 0.445 58 P HA -0.062 nan 4.420 nan 0.000 0.271 58 P C 0.286 177.741 177.300 0.258 0.000 1.218 58 P CA 0.144 63.485 63.100 0.401 0.000 0.780 58 P CB 0.720 32.597 31.700 0.295 0.000 0.901 59 S N 0.793 116.618 115.700 0.209 0.000 2.419 59 S HA -0.159 4.313 4.470 0.004 0.000 0.233 59 S C 1.666 176.352 174.600 0.144 0.000 1.016 59 S CA 1.575 59.863 58.200 0.146 0.000 0.974 59 S CB -1.420 61.808 63.200 0.046 0.000 0.786 59 S HN 0.513 nan 8.310 nan 0.000 0.492 60 S N 0.686 116.465 115.700 0.132 0.000 2.522 60 S HA 0.058 4.530 4.470 0.004 0.000 0.227 60 S C 0.665 175.338 174.600 0.122 0.000 0.986 60 S CA 0.181 58.454 58.200 0.122 0.000 0.929 60 S CB -1.146 62.114 63.200 0.100 0.000 0.769 60 S HN 0.473 nan 8.310 nan 0.000 0.529 61 T N 4.175 118.809 114.554 0.133 0.000 2.831 61 T HA 0.176 4.528 4.350 0.004 0.000 0.291 61 T C 0.658 175.423 174.700 0.108 0.000 0.981 61 T CA 0.579 62.748 62.100 0.114 0.000 1.174 61 T CB 0.555 69.496 68.868 0.121 0.000 0.929 61 T HN 0.538 nan 8.240 nan 0.000 0.532 62 T N 0.708 115.307 114.554 0.076 0.000 3.843 62 T HA 0.374 4.726 4.350 0.004 0.000 0.227 62 T C 0.264 174.978 174.700 0.024 0.000 1.043 62 T CA -0.761 61.376 62.100 0.062 0.000 1.012 62 T CB -0.354 68.536 68.868 0.036 0.000 1.279 62 T HN 0.565 nan 8.240 nan 0.000 0.730 63 T N 1.305 115.895 114.554 0.059 0.000 2.916 63 T HA 0.445 4.797 4.350 0.004 0.000 0.305 63 T C 0.990 175.771 174.700 0.135 0.000 1.119 63 T CA -0.914 61.209 62.100 0.040 0.000 1.008 63 T CB 1.183 70.060 68.868 0.014 0.000 1.129 63 T HN 0.112 nan 8.240 nan 0.000 0.480 64 M N 2.334 122.034 119.600 0.166 0.000 2.349 64 M HA 0.227 4.709 4.480 0.004 0.000 0.266 64 M C 1.547 178.038 176.300 0.318 0.000 1.076 64 M CA 0.620 56.122 55.300 0.335 0.000 1.126 64 M CB -1.149 31.720 32.600 0.448 0.000 1.392 64 M HN 0.716 nan 8.290 nan 0.000 0.440 65 A N 3.004 125.913 122.820 0.148 0.000 3.063 65 A HA 0.263 4.585 4.320 0.004 0.000 0.263 65 A C 0.321 177.948 177.584 0.072 0.000 1.736 65 A CA -0.274 51.798 52.037 0.058 0.000 1.408 65 A CB -0.936 18.058 19.000 -0.011 0.000 1.108 65 A HN 0.497 nan 8.150 nan 0.000 0.621 66 K N -0.402 120.085 120.400 0.144 0.000 2.512 66 K HA 0.529 4.851 4.320 0.004 0.000 0.263 66 K C -1.483 175.229 176.600 0.187 0.000 0.966 66 K CA -1.062 55.308 56.287 0.138 0.000 0.851 66 K CB 1.077 33.667 32.500 0.151 0.000 1.395 66 K HN 0.071 nan 8.250 nan 0.000 0.440 67 N N 1.458 120.237 118.700 0.130 0.000 2.426 67 N HA 0.351 5.093 4.740 0.004 0.000 0.275 67 N C -1.172 174.380 175.510 0.070 0.000 1.019 67 N CA -0.216 52.899 53.050 0.108 0.000 0.941 67 N CB 1.709 40.251 38.487 0.091 0.000 1.123 67 N HN 0.772 nan 8.380 nan 0.000 0.486 68 T N -2.522 112.095 114.554 0.104 0.000 2.900 68 T HA 0.460 4.812 4.350 0.004 0.000 0.303 68 T C -0.689 174.073 174.700 0.102 0.000 1.142 68 T CA -0.825 61.355 62.100 0.134 0.000 1.007 68 T CB 0.801 69.775 68.868 0.178 0.000 1.156 68 T HN -0.002 nan 8.240 nan 0.000 0.490 69 V N 3.718 123.752 119.914 0.201 0.000 2.368 69 V HA 0.314 4.436 4.120 0.004 0.000 0.266 69 V C 0.656 176.862 176.094 0.186 0.000 1.045 69 V CA -0.459 61.973 62.300 0.220 0.000 0.899 69 V CB -0.020 31.999 31.823 0.327 0.000 1.006 69 V HN 0.916 nan 8.190 nan 0.000 0.470 70 F N 5.631 125.464 119.950 -0.196 0.000 2.270 70 F HA 0.368 4.897 4.527 0.004 0.000 0.295 70 F C 0.348 175.997 175.800 -0.252 0.000 1.087 70 F CA 0.698 58.401 58.000 -0.494 0.000 1.365 70 F CB 0.521 38.840 39.000 -1.134 0.000 1.056 70 F HN 0.384 nan 8.300 nan 0.000 0.506 71 L N 0.778 122.004 121.223 0.006 0.000 2.482 71 L HA 0.575 4.918 4.340 0.004 0.000 0.263 71 L C -1.625 175.373 176.870 0.213 0.000 0.957 71 L CA -0.757 54.122 54.840 0.064 0.000 0.836 71 L CB 1.980 44.079 42.059 0.067 0.000 1.324 71 L HN -0.032 nan 8.230 nan 0.000 0.406 72 I N 4.194 124.910 120.570 0.243 0.000 2.534 72 I HA 0.591 4.763 4.170 0.004 0.000 0.288 72 I C -0.965 175.238 176.117 0.143 0.000 1.077 72 I CA -0.307 61.059 61.300 0.109 0.000 1.051 72 I CB 2.049 39.978 38.000 -0.117 0.000 1.234 72 I HN 0.772 nan 8.210 nan 0.000 0.425 73 E N 6.258 126.535 120.200 0.129 0.000 2.430 73 E HA 0.418 4.771 4.350 0.004 0.000 0.279 73 E C -1.210 175.454 176.600 0.105 0.000 1.003 73 E CA -1.076 55.400 56.400 0.128 0.000 0.801 73 E CB 2.073 31.861 29.700 0.147 0.000 1.313 73 E HN 0.362 nan 8.360 nan 0.000 0.459 74 M N 2.273 121.930 119.600 0.095 0.000 2.239 74 M HA 0.165 4.648 4.480 0.004 0.000 0.348 74 M C -1.218 175.145 176.300 0.105 0.000 1.239 74 M CA -0.284 55.066 55.300 0.084 0.000 1.114 74 M CB 0.435 33.080 32.600 0.075 0.000 1.641 74 M HN 0.694 nan 8.290 nan 0.000 0.453 75 L N 7.032 128.319 121.223 0.106 0.000 2.276 75 L HA 0.370 4.712 4.340 0.004 0.000 0.286 75 L C -1.014 175.933 176.870 0.128 0.000 1.024 75 L CA -0.540 54.376 54.840 0.126 0.000 0.826 75 L CB 0.955 43.096 42.059 0.136 0.000 1.211 75 L HN 0.722 nan 8.230 nan 0.000 0.422 76 L N 8.187 129.499 121.223 0.149 0.000 2.540 76 L HA 0.289 4.631 4.340 0.004 0.000 0.276 76 L C -1.856 175.117 176.870 0.171 0.000 1.212 76 L CA -0.384 54.559 54.840 0.171 0.000 0.893 76 L CB -0.281 41.911 42.059 0.223 0.000 1.138 76 L HN 0.565 nan 8.230 nan 0.000 0.491 77 P HA 0.134 nan 4.420 nan 0.000 0.274 77 P C -1.125 176.311 177.300 0.228 0.000 1.260 77 P CA -0.528 62.671 63.100 0.165 0.000 0.793 77 P CB 0.321 32.086 31.700 0.109 0.000 1.048 78 K N 0.591 121.148 120.400 0.262 0.000 2.436 78 K HA -0.029 4.293 4.320 0.004 0.000 0.275 78 K C 1.378 178.112 176.600 0.224 0.000 0.999 78 K CA 0.089 56.529 56.287 0.256 0.000 0.980 78 K CB 0.310 32.964 32.500 0.256 0.000 0.919 78 K HN 0.375 nan 8.250 nan 0.000 0.484 79 K N 2.446 122.948 120.400 0.169 0.000 2.063 79 K HA -0.257 4.066 4.320 0.004 0.000 0.208 79 K C 1.826 178.376 176.600 -0.082 0.000 1.048 79 K CA 1.509 57.765 56.287 -0.053 0.000 0.928 79 K CB -0.153 32.084 32.500 -0.438 0.000 0.713 79 K HN 0.628 nan 8.250 nan 0.000 0.442 80 Y N 1.084 121.280 120.300 -0.174 0.000 2.114 80 Y HA -0.345 4.208 4.550 0.004 0.000 0.282 80 Y C 2.171 177.983 175.900 -0.148 0.000 1.165 80 Y CA 2.193 60.161 58.100 -0.219 0.000 1.148 80 Y CB -0.252 38.016 38.460 -0.321 0.000 0.972 80 Y HN 0.271 nan 8.280 nan 0.000 0.504 81 H N -1.388 117.729 119.070 0.079 0.000 2.363 81 H HA -0.071 4.487 4.556 0.004 0.000 0.301 81 H C 2.562 177.891 175.328 0.001 0.000 1.074 81 H CA 1.617 57.672 56.048 0.012 0.000 1.354 81 H CB -0.679 29.147 29.762 0.107 0.000 1.397 81 H HN 0.329 nan 8.280 nan 0.000 0.516 82 V N 1.536 121.552 119.914 0.171 0.000 2.287 82 V HA -0.236 3.886 4.120 0.004 0.000 0.248 82 V C 2.832 179.034 176.094 0.179 0.000 1.053 82 V CA 1.428 63.834 62.300 0.177 0.000 1.027 82 V CB -0.703 31.281 31.823 0.267 0.000 0.646 82 V HN 0.257 nan 8.190 nan 0.000 0.447 83 L N -0.708 120.561 121.223 0.076 0.000 2.083 83 L HA -0.166 4.176 4.340 0.004 0.000 0.209 83 L C 2.780 179.625 176.870 -0.042 0.000 1.083 83 L CA 1.573 56.424 54.840 0.020 0.000 0.752 83 L CB -0.562 41.444 42.059 -0.090 0.000 0.899 83 L HN 0.257 nan 8.230 nan 0.000 0.433 84 R N -0.872 119.561 120.500 -0.110 0.000 2.115 84 R HA -0.184 4.158 4.340 0.004 0.000 0.230 84 R C 2.212 178.523 176.300 0.018 0.000 1.111 84 R CA 1.441 57.481 56.100 -0.101 0.000 0.976 84 R CB -0.358 29.829 30.300 -0.188 0.000 0.870 84 R HN 0.211 nan 8.270 nan 0.000 0.445 85 F N 1.326 121.226 119.950 -0.082 0.000 2.084 85 F HA -0.109 4.420 4.527 0.004 0.000 0.296 85 F C 1.707 177.463 175.800 -0.072 0.000 1.111 85 F CA 1.417 59.363 58.000 -0.089 0.000 1.224 85 F CB -0.335 38.570 39.000 -0.158 0.000 0.991 85 F HN -0.131 nan 8.300 nan 0.000 0.471 86 L N -0.203 120.866 121.223 -0.257 0.000 2.056 86 L HA -0.147 4.195 4.340 0.004 0.000 0.207 86 L C 1.612 178.369 176.870 -0.188 0.000 1.078 86 L CA 1.565 56.217 54.840 -0.314 0.000 0.749 86 L CB -0.631 41.413 42.059 -0.025 0.000 0.901 86 L HN 0.106 nan 8.230 nan 0.000 0.433 87 D N -1.214 119.131 120.400 -0.092 0.000 2.423 87 D HA 0.014 4.656 4.640 0.004 0.000 0.208 87 D C 1.277 177.540 176.300 -0.060 0.000 1.068 87 D CA 0.507 54.476 54.000 -0.052 0.000 0.860 87 D CB 0.409 41.202 40.800 -0.012 0.000 0.992 87 D HN 0.145 nan 8.370 nan 0.000 0.504 88 K N -0.264 120.094 120.400 -0.070 0.000 2.501 88 K HA 0.317 4.639 4.320 0.004 0.000 0.204 88 K C 0.970 177.546 176.600 -0.039 0.000 1.067 88 K CA 0.076 56.334 56.287 -0.049 0.000 1.060 88 K CB 1.692 34.164 32.500 -0.047 0.000 0.873 88 K HN 0.058 nan 8.250 nan 0.000 0.540 89 G N 1.915 110.677 108.800 -0.063 0.000 2.168 89 G HA2 -0.266 3.696 3.960 0.004 0.000 0.263 89 G HA3 -0.266 3.696 3.960 0.004 0.000 0.263 89 G C 0.143 175.060 174.900 0.027 0.000 0.977 89 G CA 0.492 45.569 45.100 -0.039 0.000 0.659 89 G HN 0.273 nan 8.290 nan 0.000 0.533 90 E N 0.087 120.320 120.200 0.056 0.000 2.405 90 E HA 0.590 4.942 4.350 0.004 0.000 0.253 90 E C 1.240 177.962 176.600 0.203 0.000 1.257 90 E CA 0.120 56.581 56.400 0.101 0.000 0.960 90 E CB 0.185 29.930 29.700 0.075 0.000 1.077 90 E HN 0.776 nan 8.360 nan 0.000 0.512 91 R N 0.944 121.531 120.500 0.146 0.000 2.694 91 R HA -0.018 4.324 4.340 0.004 0.000 0.268 91 R C 0.472 176.810 176.300 0.063 0.000 1.061 91 R CA -0.017 56.161 56.100 0.130 0.000 1.133 91 R CB -0.619 29.711 30.300 0.050 0.000 1.020 91 R HN 0.540 nan 8.270 nan 0.000 0.475 92 H N 2.566 121.501 119.070 -0.225 0.000 3.034 92 H HA 0.071 4.629 4.556 0.004 0.000 0.324 92 H C -1.937 173.120 175.328 -0.451 0.000 1.015 92 H CA -1.079 54.492 56.048 -0.794 0.000 1.429 92 H CB 0.796 30.192 29.762 -0.609 0.000 1.429 92 H HN 0.478 nan 8.280 nan 0.000 0.585 93 P HA -0.018 nan 4.420 nan 0.000 0.272 93 P C -0.384 176.900 177.300 -0.028 0.000 1.223 93 P CA -0.453 62.562 63.100 -0.143 0.000 0.784 93 P CB 0.617 32.245 31.700 -0.121 0.000 0.923 94 V N 2.859 122.749 119.914 -0.040 0.000 2.694 94 V HA -0.022 4.101 4.120 0.004 0.000 0.306 94 V C 1.105 177.205 176.094 0.009 0.000 1.054 94 V CA 0.385 62.679 62.300 -0.010 0.000 1.161 94 V CB -0.281 31.557 31.823 0.026 0.000 0.916 94 V HN 0.473 nan 8.190 nan 0.000 0.490 95 R N 4.023 124.512 120.500 -0.019 0.000 2.312 95 R HA 0.493 4.836 4.340 0.004 0.000 0.311 95 R C -0.327 175.962 176.300 -0.019 0.000 1.004 95 R CA -0.302 55.787 56.100 -0.018 0.000 0.902 95 R CB 0.823 31.086 30.300 -0.062 0.000 1.073 95 R HN 0.864 nan 8.270 nan 0.000 0.457 96 E N 1.734 121.943 120.200 0.015 0.000 2.416 96 E HA 0.588 4.941 4.350 0.004 0.000 0.273 96 E C -1.496 175.122 176.600 0.030 0.000 0.935 96 E CA -1.271 55.139 56.400 0.017 0.000 0.784 96 E CB 2.133 31.892 29.700 0.098 0.000 1.301 96 E HN 0.622 nan 8.360 nan 0.000 0.454 97 A N 1.371 124.208 122.820 0.028 0.000 2.365 97 A HA 0.520 4.842 4.320 0.004 0.000 0.318 97 A C -0.607 177.045 177.584 0.114 0.000 1.091 97 A CA -0.653 51.420 52.037 0.059 0.000 0.763 97 A CB 1.186 20.201 19.000 0.026 0.000 1.248 97 A HN 0.571 nan 8.150 nan 0.000 0.442 98 R N 1.707 122.289 120.500 0.137 0.000 2.389 98 R HA 0.537 4.879 4.340 0.004 0.000 0.295 98 R C -0.485 175.928 176.300 0.189 0.000 1.075 98 R CA 0.251 56.459 56.100 0.179 0.000 1.005 98 R CB 0.609 31.016 30.300 0.177 0.000 0.987 98 R HN 0.849 nan 8.270 nan 0.000 0.452 99 A N 4.766 127.734 122.820 0.248 0.000 2.335 99 A HA 0.426 4.748 4.320 0.004 0.000 0.304 99 A C -1.078 176.708 177.584 0.337 0.000 1.118 99 A CA -0.700 51.493 52.037 0.261 0.000 0.757 99 A CB 1.744 20.901 19.000 0.263 0.000 1.188 99 A HN 0.505 nan 8.150 nan 0.000 0.460 100 V N 4.422 124.521 119.914 0.307 0.000 2.350 100 V HA 0.358 4.480 4.120 0.004 0.000 0.276 100 V C -0.205 176.088 176.094 0.332 0.000 1.028 100 V CA -0.072 62.446 62.300 0.363 0.000 0.860 100 V CB 0.935 32.994 31.823 0.394 0.000 0.990 100 V HN 0.732 nan 8.190 nan 0.000 0.453 101 I N 5.232 126.010 120.570 0.348 0.000 2.362 101 I HA 0.398 4.570 4.170 0.004 0.000 0.289 101 I C -0.695 175.578 176.117 0.259 0.000 0.994 101 I CA -0.460 60.929 61.300 0.149 0.000 1.158 101 I CB 1.454 39.379 38.000 -0.125 0.000 1.315 101 I HN 0.368 nan 8.210 nan 0.000 0.451 102 F N 6.175 126.142 119.950 0.028 0.000 2.438 102 F HA 0.232 4.762 4.527 0.004 0.000 0.360 102 F C 0.103 176.001 175.800 0.163 0.000 1.118 102 F CA -0.659 57.467 58.000 0.211 0.000 1.164 102 F CB -0.062 39.065 39.000 0.211 0.000 1.131 102 F HN 0.246 nan 8.300 nan 0.000 0.527 103 F N 2.183 122.445 119.950 0.520 0.000 2.467 103 F HA 0.318 4.847 4.527 0.004 0.000 0.349 103 F C 1.389 177.121 175.800 -0.114 0.000 1.182 103 F CA -0.532 57.594 58.000 0.210 0.000 1.279 103 F CB 0.505 39.591 39.000 0.143 0.000 1.626 103 F HN 0.586 nan 8.300 nan 0.000 0.596 104 G N -0.038 108.779 108.800 0.028 0.000 2.623 104 G HA2 -0.149 3.813 3.960 0.004 0.000 0.214 104 G HA3 -0.149 3.813 3.960 0.004 0.000 0.214 104 G C 0.576 175.349 174.900 -0.210 0.000 1.138 104 G CA 0.112 44.957 45.100 -0.426 0.000 0.794 104 G HN 0.358 nan 8.290 nan 0.000 0.535 105 D N 0.676 121.063 120.400 -0.022 0.000 2.943 105 D HA 0.245 4.888 4.640 0.004 0.000 0.249 105 D C 0.453 176.729 176.300 -0.041 0.000 1.231 105 D CA -0.306 53.684 54.000 -0.017 0.000 0.979 105 D CB -0.454 40.368 40.800 0.036 0.000 1.053 105 D HN 0.569 nan 8.370 nan 0.000 0.504 106 Q N -1.017 118.716 119.800 -0.113 0.000 2.756 106 Q HA 0.186 4.529 4.340 0.004 0.000 0.295 106 Q C 0.223 176.104 176.000 -0.198 0.000 0.903 106 Q CA -0.827 54.900 55.803 -0.126 0.000 0.768 106 Q CB 0.695 29.372 28.738 -0.102 0.000 1.472 106 Q HN -0.045 nan 8.270 nan 0.000 0.416 107 E N 0.062 120.125 120.200 -0.228 0.000 2.077 107 E HA -0.130 4.222 4.350 0.004 0.000 0.193 107 E C -0.174 176.104 176.600 -0.536 0.000 0.989 107 E CA 1.013 57.184 56.400 -0.383 0.000 0.800 107 E CB 0.251 29.675 29.700 -0.459 0.000 0.746 107 E HN 0.480 nan 8.360 nan 0.000 0.452 108 H N 0.794 119.776 119.070 -0.147 0.000 2.643 108 H HA 0.306 4.864 4.556 0.004 0.000 0.259 108 H C -2.352 172.848 175.328 -0.212 0.000 1.298 108 H CA -2.363 53.590 56.048 -0.160 0.000 1.301 108 H CB 0.722 30.414 29.762 -0.116 0.000 1.422 108 H HN 0.150 nan 8.280 nan 0.000 0.521 109 P HA -0.037 nan 4.420 nan 0.000 0.267 109 P C 0.173 177.367 177.300 -0.176 0.000 1.200 109 P CA 0.235 63.008 63.100 -0.545 0.000 0.772 109 P CB 0.792 31.601 31.700 -1.486 0.000 0.855 110 N N -0.222 118.523 118.700 0.076 0.000 2.927 110 N HA 0.421 5.163 4.740 0.004 0.000 0.248 110 N C -1.966 173.841 175.510 0.496 0.000 1.443 110 N CA -0.904 52.327 53.050 0.302 0.000 0.870 110 N CB 0.734 39.319 38.487 0.163 0.000 1.444 110 N HN -0.012 nan 8.380 nan 0.000 0.519 111 V N 0.246 120.365 119.914 0.342 0.000 2.398 111 V HA 0.673 4.796 4.120 0.004 0.000 0.286 111 V C -0.428 175.846 176.094 0.299 0.000 1.026 111 V CA -0.258 62.240 62.300 0.331 0.000 0.868 111 V CB 1.121 33.057 31.823 0.188 0.000 0.982 111 V HN 0.837 nan 8.190 nan 0.000 0.443 112 T N 4.325 119.120 114.554 0.401 0.000 2.861 112 T HA 0.497 4.849 4.350 0.004 0.000 0.287 112 T C -0.638 174.172 174.700 0.183 0.000 1.003 112 T CA -0.693 61.553 62.100 0.243 0.000 0.977 112 T CB 1.781 70.861 68.868 0.354 0.000 0.996 112 T HN 0.693 nan 8.240 nan 0.000 0.448 113 E N 1.454 121.645 120.200 -0.014 0.000 2.212 113 E HA 0.637 4.990 4.350 0.004 0.000 0.270 113 E C -1.175 175.270 176.600 -0.257 0.000 0.956 113 E CA -0.656 55.785 56.400 0.068 0.000 0.825 113 E CB 1.544 31.346 29.700 0.172 0.000 1.167 113 E HN 0.404 nan 8.360 nan 0.000 0.400 114 F N 0.090 120.178 119.950 0.229 0.000 2.603 114 F HA 0.524 5.054 4.527 0.004 0.000 0.317 114 F C -0.179 175.742 175.800 0.203 0.000 1.066 114 F CA -1.064 57.068 58.000 0.220 0.000 0.941 114 F CB 1.621 40.764 39.000 0.239 0.000 1.291 114 F HN 0.410 nan 8.300 nan 0.000 0.472 115 A N 1.676 124.733 122.820 0.395 0.000 2.249 115 A HA 0.714 5.036 4.320 0.004 0.000 0.314 115 A C -1.125 176.650 177.584 0.320 0.000 1.290 115 A CA -0.584 51.641 52.037 0.313 0.000 0.893 115 A CB 0.324 19.495 19.000 0.284 0.000 1.165 115 A HN 0.525 nan 8.150 nan 0.000 0.530 116 V N 2.563 122.569 119.914 0.154 0.000 2.427 116 V HA 0.813 4.935 4.120 0.004 0.000 0.286 116 V C 0.790 176.672 176.094 -0.354 0.000 1.034 116 V CA 0.546 62.795 62.300 -0.084 0.000 0.893 116 V CB 1.069 32.874 31.823 -0.030 0.000 0.982 116 V HN 1.292 nan 8.190 nan 0.000 0.452 117 G N 5.419 113.632 108.800 -0.978 0.000 2.548 117 G HA2 0.662 4.624 3.960 0.004 0.000 0.301 117 G HA3 0.662 4.624 3.960 0.004 0.000 0.301 117 G C -3.422 170.720 174.900 -1.262 0.000 1.349 117 G CA -0.887 43.645 45.100 -0.947 0.000 0.792 117 G HN 0.482 nan 8.290 nan 0.000 0.481 118 P HA 0.543 nan 4.420 nan 0.000 0.279 118 P C -0.784 176.367 177.300 -0.249 0.000 1.276 118 P CA -0.488 62.464 63.100 -0.248 0.000 0.801 118 P CB 1.500 33.156 31.700 -0.073 0.000 1.127 119 L N 1.365 122.486 121.223 -0.170 0.000 2.349 119 L HA 0.451 4.793 4.340 0.004 0.000 0.278 119 L C -1.883 174.904 176.870 -0.139 0.000 0.996 119 L CA -2.092 52.656 54.840 -0.154 0.000 0.825 119 L CB 1.781 43.762 42.059 -0.129 0.000 1.243 119 L HN 0.287 nan 8.230 nan 0.000 0.412 120 P HA 0.251 nan 4.420 nan 0.000 0.276 120 P C 0.235 177.456 177.300 -0.131 0.000 1.261 120 P CA -0.029 62.999 63.100 -0.122 0.000 0.800 120 P CB 1.090 32.731 31.700 -0.099 0.000 1.066 121 G N 0.375 109.094 108.800 -0.134 0.000 2.452 121 G HA2 -0.093 3.869 3.960 0.004 0.000 0.275 121 G HA3 -0.093 3.869 3.960 0.004 0.000 0.275 121 G C -2.539 172.228 174.900 -0.223 0.000 1.131 121 G CA -0.709 44.311 45.100 -0.134 0.000 1.031 121 G HN 0.502 nan 8.290 nan 0.000 0.511 122 P HA 0.290 nan 4.420 nan 0.000 0.267 122 P C 1.107 177.968 177.300 -0.733 0.000 1.205 122 P CA 0.576 63.279 63.100 -0.662 0.000 0.765 122 P CB 0.998 32.201 31.700 -0.829 0.000 0.828 123 C N 1.922 120.819 119.300 -0.672 0.000 3.911 123 C HA 0.448 4.910 4.460 0.004 0.000 0.318 123 C C -0.283 174.726 174.990 0.032 0.000 1.643 123 C CA -0.592 58.298 59.018 -0.213 0.000 1.845 123 C CB -1.406 26.330 27.740 -0.006 0.000 2.981 123 C HN 0.574 nan 8.230 nan 0.000 0.656 124 Y N 0.067 120.278 120.300 -0.149 0.000 2.562 124 Y HA 0.818 5.370 4.550 0.004 0.000 0.345 124 Y C -0.835 175.156 175.900 0.151 0.000 1.045 124 Y CA -2.088 56.074 58.100 0.104 0.000 1.028 124 Y CB 0.899 39.398 38.460 0.065 0.000 1.297 124 Y HN 0.257 nan 8.280 nan 0.000 0.463 125 M N 3.463 123.370 119.600 0.512 0.000 2.093 125 M HA 0.680 5.162 4.480 0.004 0.000 0.297 125 M C -1.327 175.294 176.300 0.534 0.000 0.938 125 M CA -0.827 54.752 55.300 0.466 0.000 0.920 125 M CB 2.193 34.938 32.600 0.243 0.000 1.517 125 M HN 0.911 nan 8.290 nan 0.000 0.427 126 R N 2.663 123.496 120.500 0.556 0.000 2.720 126 R HA 0.913 5.255 4.340 0.004 0.000 0.272 126 R C -0.518 176.003 176.300 0.368 0.000 0.991 126 R CA -0.677 55.658 56.100 0.392 0.000 1.010 126 R CB 1.308 31.729 30.300 0.203 0.000 1.141 126 R HN 0.782 nan 8.270 nan 0.000 0.494 127 A N 1.882 124.819 122.820 0.196 0.000 2.498 127 A HA 0.323 4.646 4.320 0.004 0.000 0.239 127 A C -0.613 176.987 177.584 0.028 0.000 1.068 127 A CA -0.258 51.782 52.037 0.004 0.000 0.766 127 A CB 0.213 19.210 19.000 -0.005 0.000 1.003 127 A HN 0.568 nan 8.150 nan 0.000 0.497 128 L N 1.586 122.790 121.223 -0.033 0.000 2.436 128 L HA 0.506 4.848 4.340 0.004 0.000 0.268 128 L C 0.426 177.318 176.870 0.036 0.000 0.974 128 L CA 0.650 55.519 54.840 0.048 0.000 0.826 128 L CB 1.681 43.806 42.059 0.110 0.000 1.291 128 L HN 1.024 nan 8.230 nan 0.000 0.406 129 S N 3.049 118.786 115.700 0.062 0.000 3.559 129 S HA -0.120 4.352 4.470 0.004 0.000 0.369 129 S C -2.176 172.438 174.600 0.024 0.000 0.987 129 S CA 0.514 58.753 58.200 0.064 0.000 1.187 129 S CB -1.990 61.279 63.200 0.115 0.000 0.914 129 S HN 0.679 nan 8.310 nan 0.000 0.480 130 P HA 0.277 nan 4.420 nan 0.000 0.271 130 P C -0.098 177.202 177.300 -0.000 0.000 1.216 130 P CA -0.117 62.977 63.100 -0.010 0.000 0.776 130 P CB 0.561 32.255 31.700 -0.011 0.000 0.881 131 R N 3.031 123.533 120.500 0.003 0.000 2.738 131 R HA 0.271 4.613 4.340 0.004 0.000 0.280 131 R C -2.174 174.157 176.300 0.053 0.000 1.456 131 R CA -1.569 54.538 56.100 0.010 0.000 1.612 131 R CB 0.505 30.782 30.300 -0.039 0.000 1.286 131 R HN 0.405 nan 8.270 nan 0.000 0.660 132 P HA 0.099 nan 4.420 nan 0.000 0.268 132 P C 0.513 177.839 177.300 0.043 0.000 1.205 132 P CA 0.981 64.099 63.100 0.031 0.000 0.771 132 P CB 1.215 32.923 31.700 0.014 0.000 0.858 133 G N 1.422 110.243 108.800 0.035 0.000 2.195 133 G HA2 -0.274 3.688 3.960 0.004 0.000 0.246 133 G HA3 -0.274 3.688 3.960 0.004 0.000 0.246 133 G C -0.247 174.699 174.900 0.077 0.000 0.984 133 G CA 0.149 45.269 45.100 0.033 0.000 0.633 133 G HN 0.681 nan 8.290 nan 0.000 0.525 134 Y N 1.184 121.460 120.300 -0.040 0.000 2.323 134 Y HA 0.636 5.188 4.550 0.004 0.000 0.331 134 Y C 1.170 177.043 175.900 -0.044 0.000 1.092 134 Y CA -0.419 57.656 58.100 -0.042 0.000 1.150 134 Y CB 1.160 39.591 38.460 -0.048 0.000 1.200 134 Y HN 0.093 nan 8.280 nan 0.000 0.472 135 Q N 2.279 121.728 119.800 -0.585 0.000 2.214 135 Q HA 0.127 4.469 4.340 0.004 0.000 0.229 135 Q C 0.533 176.193 176.000 -0.567 0.000 0.835 135 Q CA 0.113 55.648 55.803 -0.447 0.000 0.953 135 Q CB 0.966 29.551 28.738 -0.256 0.000 1.131 135 Q HN 0.634 nan 8.270 nan 0.000 0.501 136 S N 0.770 115.819 115.700 -1.086 0.000 2.622 136 S HA 0.004 4.476 4.470 0.004 0.000 0.236 136 S C 1.659 176.042 174.600 -0.363 0.000 0.956 136 S CA 0.138 57.974 58.200 -0.605 0.000 0.971 136 S CB 0.223 63.197 63.200 -0.375 0.000 0.782 136 S HN 0.384 nan 8.310 nan 0.000 0.468 137 S N 0.934 116.449 115.700 -0.308 0.000 2.382 137 S HA -0.142 4.331 4.470 0.004 0.000 0.228 137 S C 1.590 176.207 174.600 0.029 0.000 1.027 137 S CA 0.291 58.512 58.200 0.035 0.000 0.991 137 S CB -0.659 62.580 63.200 0.064 0.000 0.823 137 S HN 0.816 nan 8.310 nan 0.000 0.469 138 W N 2.403 123.613 121.300 -0.149 0.000 2.355 138 W HA -0.077 4.585 4.660 0.004 0.000 0.309 138 W C 2.585 179.000 176.519 -0.174 0.000 1.206 138 W CA 1.386 58.626 57.345 -0.175 0.000 1.284 138 W CB -0.491 28.893 29.460 -0.125 0.000 1.145 138 W HN 0.475 nan 8.180 nan 0.000 0.502 139 A N 0.427 123.225 122.820 -0.037 0.000 2.019 139 A HA -0.226 4.096 4.320 0.004 0.000 0.219 139 A C 1.975 179.485 177.584 -0.125 0.000 1.164 139 A CA 2.252 54.218 52.037 -0.118 0.000 0.644 139 A CB -1.130 17.843 19.000 -0.045 0.000 0.805 139 A HN 0.371 nan 8.150 nan 0.000 0.449 140 S N 0.158 115.830 115.700 -0.046 0.000 2.522 140 S HA -0.045 4.427 4.470 0.004 0.000 0.227 140 S C 1.118 175.715 174.600 -0.005 0.000 0.986 140 S CA 0.139 58.367 58.200 0.047 0.000 0.929 140 S CB -0.486 62.828 63.200 0.190 0.000 0.769 140 S HN 0.749 nan 8.310 nan 0.000 0.529 141 R N 1.505 121.867 120.500 -0.230 0.000 2.694 141 R HA 0.341 4.683 4.340 0.004 0.000 0.268 141 R C -2.964 173.108 176.300 -0.381 0.000 1.061 141 R CA -1.344 54.526 56.100 -0.383 0.000 1.133 141 R CB -0.780 28.861 30.300 -1.100 0.000 1.020 141 R HN 0.057 nan 8.270 nan 0.000 0.475 142 P HA -0.025 nan 4.420 nan 0.000 0.268 142 P C 0.016 177.139 177.300 -0.294 0.000 1.208 142 P CA -0.136 62.781 63.100 -0.305 0.000 0.777 142 P CB 0.449 32.068 31.700 -0.136 0.000 0.875 143 I N 1.161 121.570 120.570 -0.268 0.000 3.060 143 I HA 0.177 4.350 4.170 0.004 0.000 0.285 143 I C 0.275 176.435 176.117 0.071 0.000 1.190 143 I CA 0.789 61.985 61.300 -0.173 0.000 1.363 143 I CB 0.530 38.356 38.000 -0.289 0.000 1.396 143 I HN 0.487 nan 8.210 nan 0.000 0.607 144 S N 2.156 117.927 115.700 0.118 0.000 2.618 144 S HA 0.332 4.804 4.470 0.004 0.000 0.277 144 S C 0.363 175.187 174.600 0.372 0.000 1.138 144 S CA -0.401 57.995 58.200 0.325 0.000 0.844 144 S CB 1.518 64.916 63.200 0.330 0.000 1.127 144 S HN 0.632 nan 8.310 nan 0.000 0.474 145 T N 1.660 116.458 114.554 0.406 0.000 2.720 145 T HA -0.095 4.257 4.350 0.004 0.000 0.268 145 T C 2.148 177.044 174.700 0.326 0.000 1.037 145 T CA 2.070 64.407 62.100 0.395 0.000 1.144 145 T CB -0.926 68.107 68.868 0.276 0.000 0.864 145 T HN 0.886 nan 8.240 nan 0.000 0.444 146 A N 1.141 124.118 122.820 0.261 0.000 1.908 146 A HA -0.161 4.161 4.320 0.004 0.000 0.218 146 A C 2.197 179.931 177.584 0.251 0.000 1.181 146 A CA 2.015 54.186 52.037 0.224 0.000 0.627 146 A CB -0.621 18.500 19.000 0.202 0.000 0.818 146 A HN 0.618 nan 8.150 nan 0.000 0.445 147 E N -1.630 118.726 120.200 0.260 0.000 2.072 147 E HA -0.205 4.148 4.350 0.004 0.000 0.191 147 E C 1.747 178.510 176.600 0.271 0.000 0.985 147 E CA 1.204 57.772 56.400 0.280 0.000 0.801 147 E CB -0.245 29.547 29.700 0.153 0.000 0.750 147 E HN 0.698 nan 8.360 nan 0.000 0.452 148 Y N 0.347 120.811 120.300 0.273 0.000 2.181 148 Y HA -0.199 4.353 4.550 0.004 0.000 0.288 148 Y C 2.299 178.371 175.900 0.286 0.000 1.146 148 Y CA 1.284 59.559 58.100 0.292 0.000 1.164 148 Y CB -0.727 37.871 38.460 0.230 0.000 0.982 148 Y HN 0.162 nan 8.280 nan 0.000 0.515 149 A N 0.026 123.074 122.820 0.380 0.000 1.883 149 A HA -0.191 4.131 4.320 0.004 0.000 0.217 149 A C 2.278 180.013 177.584 0.251 0.000 1.186 149 A CA 1.868 54.064 52.037 0.265 0.000 0.624 149 A CB -1.179 17.934 19.000 0.187 0.000 0.822 149 A HN 0.473 nan 8.150 nan 0.000 0.444 150 L N -0.784 120.581 121.223 0.237 0.000 2.083 150 L HA -0.163 4.179 4.340 0.004 0.000 0.209 150 L C 2.565 179.642 176.870 0.345 0.000 1.083 150 L CA 0.850 55.795 54.840 0.175 0.000 0.752 150 L CB -0.499 41.563 42.059 0.005 0.000 0.899 150 L HN 0.374 nan 8.230 nan 0.000 0.433 151 L N -1.921 119.564 121.223 0.437 0.000 2.046 151 L HA -0.311 4.031 4.340 0.004 0.000 0.208 151 L C 2.820 179.774 176.870 0.140 0.000 1.077 151 L CA 1.415 56.418 54.840 0.271 0.000 0.747 151 L CB -0.719 41.410 42.059 0.117 0.000 0.896 151 L HN 0.198 nan 8.230 nan 0.000 0.432 152 Y N -1.158 119.317 120.300 0.292 0.000 2.224 152 Y HA -0.333 4.220 4.550 0.004 0.000 0.289 152 Y C 2.769 178.726 175.900 0.096 0.000 1.146 152 Y CA 1.539 59.779 58.100 0.234 0.000 1.182 152 Y CB -0.551 38.102 38.460 0.321 0.000 0.983 152 Y HN 0.484 nan 8.280 nan 0.000 0.524 153 H N -0.891 118.215 119.070 0.061 0.000 2.353 153 H HA -0.137 4.421 4.556 0.004 0.000 0.300 153 H C 2.159 177.481 175.328 -0.010 0.000 1.090 153 H CA 2.270 58.328 56.048 0.017 0.000 1.327 153 H CB -0.486 29.280 29.762 0.008 0.000 1.383 153 H HN 0.392 nan 8.280 nan 0.000 0.508 154 T N 1.042 115.682 114.554 0.142 0.000 2.720 154 T HA -0.151 4.202 4.350 0.004 0.000 0.268 154 T C 2.182 176.836 174.700 -0.077 0.000 1.037 154 T CA 1.492 63.643 62.100 0.085 0.000 1.144 154 T CB -0.292 68.714 68.868 0.230 0.000 0.864 154 T HN 0.256 nan 8.240 nan 0.000 0.444 155 L N 0.556 121.666 121.223 -0.189 0.000 2.056 155 L HA -0.120 4.222 4.340 0.004 0.000 0.207 155 L C 2.941 179.609 176.870 -0.336 0.000 1.078 155 L CA 1.359 55.980 54.840 -0.365 0.000 0.749 155 L CB -0.580 41.045 42.059 -0.724 0.000 0.901 155 L HN 0.334 nan 8.230 nan 0.000 0.433 156 Q N -0.436 119.193 119.800 -0.285 0.000 2.096 156 Q HA -0.211 4.131 4.340 0.004 0.000 0.204 156 Q C 2.168 178.110 176.000 -0.097 0.000 0.982 156 Q CA 1.376 57.098 55.803 -0.134 0.000 0.850 156 Q CB 0.035 28.709 28.738 -0.107 0.000 0.901 156 Q HN 0.460 nan 8.270 nan 0.000 0.422 157 E N 0.301 120.394 120.200 -0.177 0.000 2.028 157 E HA -0.114 4.238 4.350 0.004 0.000 0.190 157 E C 2.009 178.581 176.600 -0.047 0.000 0.984 157 E CA 1.081 57.406 56.400 -0.124 0.000 0.800 157 E CB -0.257 29.345 29.700 -0.163 0.000 0.758 157 E HN 0.315 nan 8.360 nan 0.000 0.448 158 A N 1.334 124.128 122.820 -0.043 0.000 1.972 158 A HA -0.134 4.188 4.320 0.004 0.000 0.219 158 A C 2.277 179.873 177.584 0.020 0.000 1.169 158 A CA 2.176 54.208 52.037 -0.008 0.000 0.635 158 A CB -0.721 18.274 19.000 -0.009 0.000 0.810 158 A HN 0.358 nan 8.150 nan 0.000 0.446 159 T N -3.361 111.227 114.554 0.057 0.000 3.144 159 T HA 0.191 4.543 4.350 0.004 0.000 0.249 159 T C 1.354 176.152 174.700 0.164 0.000 1.089 159 T CA 0.436 62.637 62.100 0.169 0.000 0.989 159 T CB -0.030 69.101 68.868 0.438 0.000 0.992 159 T HN 0.458 nan 8.240 nan 0.000 0.540 160 K N 1.702 122.162 120.400 0.100 0.000 2.074 160 K HA -0.075 4.247 4.320 0.004 0.000 0.209 160 K C -0.719 175.910 176.600 0.048 0.000 1.048 160 K CA 1.733 58.069 56.287 0.081 0.000 0.926 160 K CB -1.148 31.366 32.500 0.023 0.000 0.713 160 K HN 0.365 nan 8.250 nan 0.000 0.444 161 P HA -0.141 nan 4.420 nan 0.000 0.219 161 P C 0.865 178.108 177.300 -0.095 0.000 1.146 161 P CA 1.173 64.252 63.100 -0.035 0.000 0.808 161 P CB 0.055 31.722 31.700 -0.055 0.000 0.779 162 L N -2.716 118.384 121.223 -0.205 0.000 2.592 162 L HA 0.057 4.399 4.340 0.004 0.000 0.227 162 L C 2.280 178.806 176.870 -0.573 0.000 1.127 162 L CA 0.063 54.595 54.840 -0.514 0.000 0.884 162 L CB -0.775 40.747 42.059 -0.895 0.000 1.065 162 L HN 0.034 nan 8.230 nan 0.000 0.457 163 H N 0.770 119.713 119.070 -0.211 0.000 2.289 163 H HA -0.277 4.281 4.556 0.004 0.000 0.296 163 H C 2.310 177.666 175.328 0.046 0.000 1.091 163 H CA 2.293 58.369 56.048 0.046 0.000 1.274 163 H CB 0.272 30.103 29.762 0.114 0.000 1.364 163 H HN 0.165 nan 8.280 nan 0.000 0.490 164 Q N -0.489 119.320 119.800 0.014 0.000 2.119 164 Q HA -0.101 4.241 4.340 0.004 0.000 0.201 164 Q C 2.187 178.179 176.000 -0.013 0.000 0.972 164 Q CA 1.653 57.456 55.803 -0.001 0.000 0.847 164 Q CB -0.735 28.074 28.738 0.119 0.000 0.903 164 Q HN 0.578 nan 8.270 nan 0.000 0.433 165 F N -0.271 119.536 119.950 -0.238 0.000 2.091 165 F HA -0.255 4.274 4.527 0.004 0.000 0.299 165 F C 1.345 176.922 175.800 -0.372 0.000 1.103 165 F CA 1.450 59.125 58.000 -0.541 0.000 1.228 165 F CB -0.396 38.126 39.000 -0.798 0.000 0.984 165 F HN 0.106 nan 8.300 nan 0.000 0.477 166 F N 0.609 120.403 119.950 -0.260 0.000 2.095 166 F HA -0.200 4.329 4.527 0.004 0.000 0.298 166 F C 2.366 177.975 175.800 -0.317 0.000 1.104 166 F CA 1.352 59.159 58.000 -0.323 0.000 1.232 166 F CB -1.465 37.459 39.000 -0.127 0.000 0.987 166 F HN -0.000 nan 8.300 nan 0.000 0.475 167 L N -0.384 120.786 121.223 -0.088 0.000 2.017 167 L HA -0.250 4.092 4.340 0.004 0.000 0.208 167 L C 2.223 179.042 176.870 -0.085 0.000 1.073 167 L CA 1.332 56.115 54.840 -0.096 0.000 0.745 167 L CB -0.731 41.242 42.059 -0.143 0.000 0.894 167 L HN 0.119 nan 8.230 nan 0.000 0.432 168 N N -0.461 118.170 118.700 -0.115 0.000 2.142 168 N HA -0.146 4.596 4.740 0.004 0.000 0.186 168 N C 1.902 177.323 175.510 -0.148 0.000 1.023 168 N CA 1.992 54.996 53.050 -0.077 0.000 0.852 168 N CB -0.609 37.896 38.487 0.029 0.000 0.998 168 N HN 0.440 nan 8.380 nan 0.000 0.424 169 T N -3.453 110.891 114.554 -0.350 0.000 3.035 169 T HA 0.024 4.376 4.350 0.004 0.000 0.259 169 T C 1.730 176.307 174.700 -0.205 0.000 1.078 169 T CA 1.488 63.371 62.100 -0.361 0.000 1.132 169 T CB -0.243 68.169 68.868 -0.759 0.000 0.900 169 T HN 0.348 nan 8.240 nan 0.000 0.480 170 T N -3.542 110.920 114.554 -0.154 0.000 2.966 170 T HA 0.493 4.845 4.350 0.004 0.000 0.254 170 T C 1.948 176.710 174.700 0.103 0.000 0.961 170 T CA 0.776 62.832 62.100 -0.073 0.000 0.915 170 T CB -0.127 68.662 68.868 -0.132 0.000 1.186 170 T HN 0.859 nan 8.240 nan 0.000 0.505 171 G N 1.227 110.087 108.800 0.100 0.000 2.189 171 G HA2 -0.209 3.753 3.960 0.004 0.000 0.267 171 G HA3 -0.209 3.753 3.960 0.004 0.000 0.267 171 G C -0.146 174.884 174.900 0.217 0.000 0.975 171 G CA 0.524 45.719 45.100 0.157 0.000 0.644 171 G HN 0.550 nan 8.290 nan 0.000 0.537 172 F N 0.697 120.577 119.950 -0.117 0.000 2.594 172 F HA 0.832 5.361 4.527 0.004 0.000 0.335 172 F C 0.706 176.395 175.800 -0.186 0.000 1.058 172 F CA -0.793 57.120 58.000 -0.146 0.000 0.981 172 F CB 2.140 41.026 39.000 -0.191 0.000 1.289 172 F HN 0.486 nan 8.300 nan 0.000 0.490 173 S N -0.773 114.904 115.700 -0.039 0.000 2.625 173 S HA 0.545 5.017 4.470 0.004 0.000 0.271 173 S C -0.541 173.948 174.600 -0.185 0.000 1.161 173 S CA -0.576 57.580 58.200 -0.073 0.000 0.820 173 S CB 1.227 64.509 63.200 0.136 0.000 1.137 173 S HN 0.281 nan 8.310 nan 0.000 0.470 174 F N 1.298 121.282 119.950 0.057 0.000 2.505 174 F HA 0.289 4.818 4.527 0.004 0.000 0.289 174 F C 1.333 177.183 175.800 0.084 0.000 1.101 174 F CA 0.381 58.411 58.000 0.050 0.000 1.446 174 F CB 0.142 39.177 39.000 0.059 0.000 1.123 174 F HN 0.763 nan 8.300 nan 0.000 0.564 175 Q N 0.061 120.061 119.800 0.333 0.000 2.245 175 Q HA 0.262 4.604 4.340 0.004 0.000 0.256 175 Q C -0.750 175.326 176.000 0.126 0.000 0.942 175 Q CA -0.589 55.313 55.803 0.165 0.000 0.896 175 Q CB 1.341 30.115 28.738 0.061 0.000 1.272 175 Q HN 0.140 nan 8.270 nan 0.000 0.442 176 D N 0.401 120.823 120.400 0.037 0.000 2.708 176 D HA -0.173 4.469 4.640 0.004 0.000 0.236 176 D C -0.274 176.028 176.300 0.003 0.000 1.146 176 D CA 1.073 55.085 54.000 0.020 0.000 0.662 176 D CB -1.983 38.866 40.800 0.082 0.000 1.059 176 D HN 0.768 nan 8.370 nan 0.000 0.428 177 c N -2.131 116.404 118.600 -0.109 0.000 2.358 177 c HA 0.732 5.304 4.570 0.004 0.000 0.354 177 c C 1.507 175.379 174.090 -0.363 0.000 1.183 177 c CA -0.626 55.642 56.329 -0.100 0.000 2.150 177 c CB 2.370 44.846 42.510 -0.056 0.000 2.361 177 c HN 0.430 nan 8.230 nan 0.000 0.535 178 H N -0.070 118.973 119.070 -0.045 0.000 2.010 178 H HA 0.167 4.725 4.556 0.004 0.000 0.175 178 H C 0.226 175.524 175.328 -0.050 0.000 0.966 178 H CA 0.290 56.316 56.048 -0.036 0.000 1.080 178 H CB 0.106 29.846 29.762 -0.036 0.000 1.072 178 H HN 0.622 nan 8.280 nan 0.000 0.373 179 D N 0.880 121.302 120.400 0.037 0.000 2.433 179 D HA 0.144 4.786 4.640 0.004 0.000 0.211 179 D C 0.342 176.504 176.300 -0.229 0.000 1.114 179 D CA 0.193 54.156 54.000 -0.062 0.000 0.837 179 D CB 1.077 41.832 40.800 -0.074 0.000 0.984 179 D HN 0.171 nan 8.370 nan 0.000 0.505 180 R N 0.369 120.660 120.500 -0.348 0.000 2.835 180 R HA 0.344 4.686 4.340 0.004 0.000 0.290 180 R C -0.822 175.227 176.300 -0.419 0.000 1.410 180 R CA -0.282 55.267 56.100 -0.919 0.000 1.590 180 R CB 0.530 30.187 30.300 -1.071 0.000 1.288 180 R HN -0.066 nan 8.270 nan 0.000 0.637 181 c N 1.601 120.181 118.600 -0.033 0.000 2.365 181 c HA 0.434 5.006 4.570 0.004 0.000 0.351 181 c C 0.823 174.976 174.090 0.105 0.000 1.240 181 c CA -0.797 55.549 56.329 0.030 0.000 2.062 181 c CB 0.425 42.938 42.510 0.005 0.000 2.387 181 c HN 0.568 nan 8.230 nan 0.000 0.537 182 L N 2.776 123.841 121.223 -0.265 0.000 2.436 182 L HA 0.583 4.925 4.340 0.004 0.000 0.265 182 L C 0.600 177.253 176.870 -0.361 0.000 1.168 182 L CA 0.194 54.713 54.840 -0.535 0.000 0.815 182 L CB 0.409 41.643 42.059 -1.375 0.000 1.109 182 L HN 0.867 nan 8.230 nan 0.000 0.462 183 A N 1.815 124.551 122.820 -0.139 0.000 2.530 183 A HA 0.886 5.208 4.320 0.004 0.000 0.288 183 A C -1.218 176.535 177.584 0.281 0.000 1.172 183 A CA -0.461 51.589 52.037 0.023 0.000 0.733 183 A CB 1.677 20.533 19.000 -0.239 0.000 1.320 183 A HN 0.570 nan 8.150 nan 0.000 0.419 184 F N -1.753 118.330 119.950 0.223 0.000 2.603 184 F HA 0.845 5.374 4.527 0.004 0.000 0.317 184 F C -0.492 175.476 175.800 0.280 0.000 1.066 184 F CA -0.700 57.462 58.000 0.271 0.000 0.941 184 F CB 1.738 40.908 39.000 0.284 0.000 1.291 184 F HN 0.333 nan 8.300 nan 0.000 0.472 185 T N 2.090 116.920 114.554 0.461 0.000 2.809 185 T HA 0.286 4.638 4.350 0.004 0.000 0.284 185 T C -1.226 173.764 174.700 0.483 0.000 0.992 185 T CA -0.706 61.612 62.100 0.362 0.000 0.957 185 T CB 0.808 69.951 68.868 0.458 0.000 0.942 185 T HN 0.701 nan 8.240 nan 0.000 0.439 186 D N 2.276 122.977 120.400 0.502 0.000 2.264 186 D HA 0.380 5.022 4.640 0.004 0.000 0.249 186 D C 0.413 176.993 176.300 0.466 0.000 1.070 186 D CA -0.553 53.750 54.000 0.505 0.000 0.912 186 D CB 1.319 42.437 40.800 0.529 0.000 1.193 186 D HN 0.365 nan 8.370 nan 0.000 0.427 187 V N -2.109 118.041 119.914 0.394 0.000 2.881 187 V HA 0.933 5.055 4.120 0.004 0.000 0.316 187 V C -0.350 175.906 176.094 0.270 0.000 1.070 187 V CA -0.926 61.530 62.300 0.259 0.000 0.976 187 V CB 1.067 32.939 31.823 0.081 0.000 1.038 187 V HN 0.993 nan 8.190 nan 0.000 0.446 188 A N 3.612 126.535 122.820 0.171 0.000 2.469 188 A HA 1.016 5.338 4.320 0.004 0.000 0.299 188 A C -2.929 174.689 177.584 0.056 0.000 1.098 188 A CA -1.982 50.181 52.037 0.211 0.000 0.737 188 A CB 1.845 21.084 19.000 0.398 0.000 1.312 188 A HN 0.790 nan 8.150 nan 0.000 0.414 189 P HA 0.281 nan 4.420 nan 0.000 0.274 189 P C -0.920 176.488 177.300 0.179 0.000 1.260 189 P CA -0.168 62.965 63.100 0.056 0.000 0.793 189 P CB 0.493 32.082 31.700 -0.185 0.000 1.048 190 R N 0.344 120.977 120.500 0.222 0.000 2.860 190 R HA 0.635 4.977 4.340 0.004 0.000 0.282 190 R C 0.443 176.857 176.300 0.190 0.000 1.408 190 R CA -0.346 55.862 56.100 0.179 0.000 1.636 190 R CB 0.356 30.700 30.300 0.073 0.000 1.187 190 R HN 0.871 nan 8.270 nan 0.000 0.611 191 G N -0.348 108.608 108.800 0.260 0.000 2.293 191 G HA2 -0.128 3.834 3.960 0.004 0.000 0.282 191 G HA3 -0.128 3.834 3.960 0.004 0.000 0.282 191 G C -0.123 174.892 174.900 0.192 0.000 1.299 191 G CA -0.323 44.863 45.100 0.144 0.000 1.018 191 G HN 0.277 nan 8.290 nan 0.000 0.478 192 V N -3.208 116.619 119.914 -0.145 0.000 3.477 192 V HA 0.797 4.919 4.120 0.004 0.000 0.297 192 V C 0.646 176.170 176.094 -0.949 0.000 1.433 192 V CA 1.273 63.430 62.300 -0.238 0.000 1.052 192 V CB -0.032 31.721 31.823 -0.118 0.000 0.895 192 V HN 2.537 nan 8.190 nan 0.000 0.438 193 A N -0.329 121.585 122.820 -1.510 0.000 2.608 193 A HA 0.693 5.015 4.320 0.004 0.000 0.292 193 A C -0.267 176.610 177.584 -1.178 0.000 1.066 193 A CA 0.153 51.216 52.037 -1.624 0.000 0.676 193 A CB 0.949 19.507 19.000 -0.738 0.000 1.277 193 A HN 0.636 nan 8.150 nan 0.000 0.413 194 S N -0.243 115.106 115.700 -0.584 0.000 2.563 194 S HA 0.412 4.884 4.470 0.004 0.000 0.294 194 S C 1.476 176.016 174.600 -0.100 0.000 1.279 194 S CA 1.885 60.073 58.200 -0.020 0.000 1.069 194 S CB -0.040 63.228 63.200 0.113 0.000 0.828 194 S HN 2.683 nan 8.310 nan 0.000 0.497 195 G N 3.487 112.273 108.800 -0.024 0.000 2.213 195 G HA2 -0.193 3.769 3.960 0.004 0.000 0.236 195 G HA3 -0.193 3.769 3.960 0.004 0.000 0.236 195 G C -0.033 174.818 174.900 -0.082 0.000 0.991 195 G CA 0.195 45.252 45.100 -0.072 0.000 0.629 195 G HN 0.757 nan 8.290 nan 0.000 0.517 196 Q N -0.323 119.416 119.800 -0.103 0.000 2.259 196 Q HA 0.647 4.989 4.340 0.004 0.000 0.246 196 Q C 0.323 176.263 176.000 -0.101 0.000 0.920 196 Q CA -0.408 55.325 55.803 -0.117 0.000 0.895 196 Q CB 1.214 29.857 28.738 -0.159 0.000 1.220 196 Q HN 0.284 nan 8.270 nan 0.000 0.439 197 R N 1.721 122.106 120.500 -0.193 0.000 2.687 197 R HA 0.242 4.584 4.340 0.004 0.000 0.264 197 R C -1.191 174.853 176.300 -0.427 0.000 1.715 197 R CA -0.172 55.718 56.100 -0.350 0.000 1.633 197 R CB 0.424 30.418 30.300 -0.509 0.000 1.353 197 R HN 0.508 nan 8.270 nan 0.000 0.653 198 R N 0.923 121.303 120.500 -0.200 0.000 2.358 198 R HA 0.354 4.697 4.340 0.004 0.000 0.309 198 R C -0.958 175.307 176.300 -0.057 0.000 1.026 198 R CA -0.478 55.536 56.100 -0.143 0.000 0.909 198 R CB 2.213 32.432 30.300 -0.134 0.000 1.153 198 R HN 0.160 nan 8.270 nan 0.000 0.515 199 S N 1.949 117.657 115.700 0.013 0.000 2.462 199 S HA 0.313 4.785 4.470 0.004 0.000 0.294 199 S C -0.771 173.810 174.600 -0.032 0.000 1.144 199 S CA -0.758 57.495 58.200 0.089 0.000 1.088 199 S CB 0.745 64.077 63.200 0.219 0.000 1.009 199 S HN 0.368 nan 8.310 nan 0.000 0.484 200 W N 3.215 124.578 121.300 0.106 0.000 2.238 200 W HA 0.471 5.133 4.660 0.004 0.000 0.321 200 W C -0.440 176.154 176.519 0.125 0.000 1.293 200 W CA -0.471 56.932 57.345 0.096 0.000 1.204 200 W CB 0.453 29.953 29.460 0.067 0.000 1.167 200 W HN 0.336 nan 8.180 nan 0.000 0.553 201 L N 5.720 127.190 121.223 0.412 0.000 2.356 201 L HA 0.479 4.822 4.340 0.004 0.000 0.277 201 L C -0.422 176.686 176.870 0.396 0.000 0.996 201 L CA -1.063 53.990 54.840 0.354 0.000 0.822 201 L CB 1.185 43.329 42.059 0.141 0.000 1.256 201 L HN 0.250 nan 8.230 nan 0.000 0.413 202 I N 4.452 125.254 120.570 0.386 0.000 2.337 202 I HA 0.202 4.374 4.170 0.004 0.000 0.291 202 I C 0.025 176.362 176.117 0.366 0.000 1.046 202 I CA -0.441 61.052 61.300 0.321 0.000 1.324 202 I CB 0.947 39.096 38.000 0.248 0.000 1.409 202 I HN 0.334 nan 8.210 nan 0.000 0.494 203 I N 6.681 127.450 120.570 0.331 0.000 2.441 203 I HA 0.289 4.462 4.170 0.004 0.000 0.287 203 I C 0.139 176.371 176.117 0.191 0.000 1.049 203 I CA -0.153 61.326 61.300 0.299 0.000 1.381 203 I CB 0.686 38.849 38.000 0.271 0.000 1.409 203 I HN 0.661 nan 8.210 nan 0.000 0.523 204 Q N 4.949 124.834 119.800 0.142 0.000 2.495 204 Q HA 0.519 4.862 4.340 0.004 0.000 0.287 204 Q C -0.782 175.190 176.000 -0.048 0.000 1.078 204 Q CA -0.937 54.925 55.803 0.099 0.000 0.793 204 Q CB 2.694 31.557 28.738 0.207 0.000 1.459 204 Q HN 0.410 nan 8.270 nan 0.000 0.422 205 R N 0.994 121.414 120.500 -0.134 0.000 2.265 205 R HA 0.138 4.480 4.340 0.004 0.000 0.314 205 R C -0.867 175.341 176.300 -0.154 0.000 1.053 205 R CA -0.389 55.477 56.100 -0.390 0.000 0.931 205 R CB 0.497 30.260 30.300 -0.895 0.000 1.024 205 R HN 0.556 nan 8.270 nan 0.000 0.457 206 Y N 5.027 125.237 120.300 -0.149 0.000 2.570 206 Y HA 0.113 4.665 4.550 0.004 0.000 0.336 206 Y C -0.120 175.737 175.900 -0.072 0.000 1.284 206 Y CA -0.607 57.398 58.100 -0.159 0.000 1.761 206 Y CB -0.432 37.908 38.460 -0.200 0.000 1.724 206 Y HN 0.324 nan 8.280 nan 0.000 0.455 207 V N 0.760 120.470 119.914 -0.340 0.000 3.204 207 V HA 0.481 4.603 4.120 0.004 0.000 0.316 207 V C 0.036 175.887 176.094 -0.405 0.000 1.160 207 V CA -1.555 60.506 62.300 -0.398 0.000 1.044 207 V CB 1.464 33.013 31.823 -0.455 0.000 1.136 207 V HN 0.426 nan 8.190 nan 0.000 0.455 208 E N 0.822 120.831 120.200 -0.319 0.000 2.585 208 E HA 0.310 4.662 4.350 0.004 0.000 0.252 208 E C 0.934 177.410 176.600 -0.207 0.000 0.981 208 E CA 0.997 57.266 56.400 -0.218 0.000 0.943 208 E CB -0.180 29.437 29.700 -0.139 0.000 0.923 208 E HN 1.849 nan 8.360 nan 0.000 0.486 209 G N 4.568 113.219 108.800 -0.248 0.000 2.272 209 G HA2 -0.331 3.631 3.960 0.004 0.000 0.280 209 G HA3 -0.331 3.631 3.960 0.004 0.000 0.280 209 G C 0.214 174.808 174.900 -0.511 0.000 1.067 209 G CA 0.558 45.366 45.100 -0.486 0.000 0.902 209 G HN 0.851 nan 8.290 nan 0.000 0.500 210 Y N -2.312 117.647 120.300 -0.569 0.000 2.365 210 Y HA 0.015 4.568 4.550 0.004 0.000 0.287 210 Y C 2.270 178.009 175.900 -0.269 0.000 1.162 210 Y CA 1.368 59.241 58.100 -0.378 0.000 1.260 210 Y CB -0.756 37.477 38.460 -0.379 0.000 0.976 210 Y HN 0.291 nan 8.280 nan 0.000 0.548 211 F N 0.955 120.434 119.950 -0.785 0.000 2.184 211 F HA -0.206 4.323 4.527 0.004 0.000 0.301 211 F C 1.683 177.386 175.800 -0.163 0.000 1.076 211 F CA 1.112 58.820 58.000 -0.487 0.000 1.295 211 F CB -0.517 38.076 39.000 -0.678 0.000 1.026 211 F HN 0.104 nan 8.300 nan 0.000 0.494 212 L N -0.335 120.888 121.223 -0.000 0.000 2.685 212 L HA 0.088 4.430 4.340 0.004 0.000 0.233 212 L C 0.075 176.857 176.870 -0.146 0.000 1.173 212 L CA 0.168 55.005 54.840 -0.004 0.000 0.961 212 L CB -0.411 41.647 42.059 -0.001 0.000 1.217 212 L HN 0.244 nan 8.230 nan 0.000 0.478 213 H N 1.008 120.130 119.070 0.086 0.000 2.386 213 H HA 0.272 4.830 4.556 0.004 0.000 0.232 213 H C -2.344 173.049 175.328 0.110 0.000 1.416 213 H CA -1.577 54.529 56.048 0.097 0.000 1.285 213 H CB 0.618 30.357 29.762 -0.039 0.000 1.625 213 H HN 0.074 nan 8.280 nan 0.000 0.521 214 P HA 0.007 nan 4.420 nan 0.000 0.275 214 P C 1.155 178.606 177.300 0.252 0.000 1.228 214 P CA -0.015 63.240 63.100 0.259 0.000 0.786 214 P CB 1.513 33.405 31.700 0.321 0.000 0.927 215 T N -2.233 112.378 114.554 0.095 0.000 3.037 215 T HA 0.275 4.627 4.350 0.004 0.000 0.252 215 T C 1.312 175.725 174.700 -0.478 0.000 1.073 215 T CA 0.826 62.883 62.100 -0.072 0.000 1.091 215 T CB -0.577 68.262 68.868 -0.049 0.000 0.935 215 T HN 0.626 nan 8.240 nan 0.000 0.488 216 G N 0.740 109.217 108.800 -0.537 0.000 2.201 216 G HA2 -0.130 3.832 3.960 0.004 0.000 0.212 216 G HA3 -0.130 3.832 3.960 0.004 0.000 0.212 216 G C -0.294 174.620 174.900 0.023 0.000 0.994 216 G CA -0.080 44.432 45.100 -0.980 0.000 0.644 216 G HN 0.698 nan 8.290 nan 0.000 0.508 217 L N 1.621 123.028 121.223 0.308 0.000 2.307 217 L HA 0.839 5.181 4.340 0.004 0.000 0.282 217 L C -0.120 177.025 176.870 0.458 0.000 1.051 217 L CA -0.634 54.505 54.840 0.499 0.000 0.804 217 L CB 1.119 43.470 42.059 0.486 0.000 1.197 217 L HN 0.252 nan 8.230 nan 0.000 0.431 218 E N 5.271 125.805 120.200 0.555 0.000 2.317 218 E HA 0.591 4.943 4.350 0.004 0.000 0.270 218 E C -1.558 175.441 176.600 0.664 0.000 0.885 218 E CA -0.738 55.979 56.400 0.528 0.000 0.760 218 E CB 2.446 32.359 29.700 0.354 0.000 1.227 218 E HN 0.481 nan 8.360 nan 0.000 0.434 219 L N 2.386 123.936 121.223 0.545 0.000 2.386 219 L HA 0.464 4.806 4.340 0.004 0.000 0.271 219 L C -1.103 175.699 176.870 -0.114 0.000 0.993 219 L CA -1.093 53.905 54.840 0.264 0.000 0.819 219 L CB 1.566 43.706 42.059 0.136 0.000 1.294 219 L HN 0.297 nan 8.230 nan 0.000 0.414 220 L N 4.007 124.842 121.223 -0.646 0.000 2.264 220 L HA 0.584 4.926 4.340 0.004 0.000 0.289 220 L C -0.696 175.914 176.870 -0.432 0.000 1.044 220 L CA -0.090 54.170 54.840 -0.966 0.000 0.807 220 L CB 1.516 42.684 42.059 -1.485 0.000 1.192 220 L HN 0.307 nan 8.230 nan 0.000 0.425 221 V N 4.351 124.079 119.914 -0.310 0.000 2.448 221 V HA 0.335 4.457 4.120 0.004 0.000 0.295 221 V C -0.633 175.386 176.094 -0.125 0.000 1.025 221 V CA -0.780 61.408 62.300 -0.186 0.000 0.859 221 V CB 1.683 33.382 31.823 -0.206 0.000 0.988 221 V HN 0.681 nan 8.190 nan 0.000 0.431 222 D N 3.458 123.783 120.400 -0.124 0.000 2.365 222 D HA 0.195 4.837 4.640 0.004 0.000 0.237 222 D C 0.484 176.620 176.300 -0.274 0.000 1.190 222 D CA -0.148 53.759 54.000 -0.156 0.000 0.867 222 D CB 0.434 41.173 40.800 -0.103 0.000 1.050 222 D HN 0.838 nan 8.370 nan 0.000 0.491 223 H N 0.895 119.568 119.070 -0.662 0.000 2.481 223 H HA 0.456 5.014 4.556 0.004 0.000 0.273 223 H C 1.310 176.169 175.328 -0.782 0.000 1.145 223 H CA -0.746 54.414 56.048 -1.480 0.000 0.964 223 H CB 0.765 29.333 29.762 -1.990 0.000 1.722 223 H HN 0.319 nan 8.280 nan 0.000 0.573 224 G N 0.749 109.313 108.800 -0.392 0.000 2.394 224 G HA2 -0.202 3.761 3.960 0.004 0.000 0.215 224 G HA3 -0.202 3.761 3.960 0.004 0.000 0.215 224 G C 0.930 175.941 174.900 0.184 0.000 1.165 224 G CA 0.450 45.477 45.100 -0.122 0.000 0.784 224 G HN 0.538 nan 8.290 nan 0.000 0.535 225 S N 0.275 116.175 115.700 0.334 0.000 2.576 225 S HA 0.264 4.737 4.470 0.004 0.000 0.276 225 S C 1.622 176.532 174.600 0.517 0.000 1.339 225 S CA 0.677 59.118 58.200 0.401 0.000 1.039 225 S CB 1.381 64.839 63.200 0.430 0.000 0.902 225 S HN 0.403 nan 8.310 nan 0.000 0.516 226 T N -0.912 113.826 114.554 0.306 0.000 3.072 226 T HA 0.006 4.358 4.350 0.004 0.000 0.266 226 T C 0.288 175.032 174.700 0.073 0.000 1.127 226 T CA 0.691 62.937 62.100 0.243 0.000 1.107 226 T CB -0.469 68.444 68.868 0.076 0.000 0.910 226 T HN 0.666 nan 8.240 nan 0.000 0.513 227 D N 1.040 121.434 120.400 -0.010 0.000 2.396 227 D HA 0.567 5.209 4.640 0.004 0.000 0.225 227 D C 1.122 177.150 176.300 -0.454 0.000 1.121 227 D CA -0.366 53.477 54.000 -0.262 0.000 0.853 227 D CB 1.053 41.587 40.800 -0.444 0.000 1.043 227 D HN 0.148 nan 8.370 nan 0.000 0.500 228 A N 3.151 125.518 122.820 -0.755 0.000 2.125 228 A HA 0.007 4.329 4.320 0.004 0.000 0.219 228 A C 2.010 179.122 177.584 -0.787 0.000 1.156 228 A CA 1.372 52.493 52.037 -1.527 0.000 0.671 228 A CB -0.491 17.634 19.000 -1.457 0.000 0.794 228 A HN 0.620 nan 8.150 nan 0.000 0.459 229 G N -1.427 107.094 108.800 -0.465 0.000 2.471 229 G HA2 -0.178 3.784 3.960 0.004 0.000 0.219 229 G HA3 -0.178 3.784 3.960 0.004 0.000 0.219 229 G C 1.212 176.088 174.900 -0.040 0.000 1.125 229 G CA 1.014 45.977 45.100 -0.228 0.000 0.775 229 G HN 0.830 nan 8.290 nan 0.000 0.548 230 H N -2.136 116.933 119.070 -0.003 0.000 2.548 230 H HA 0.077 4.635 4.556 0.004 0.000 0.268 230 H C 0.406 175.898 175.328 0.273 0.000 0.975 230 H CA -0.777 55.344 56.048 0.122 0.000 1.195 230 H CB 0.276 30.120 29.762 0.138 0.000 1.397 230 H HN 0.245 nan 8.280 nan 0.000 0.572 231 W N 1.619 122.997 121.300 0.131 0.000 2.181 231 W HA 0.400 5.062 4.660 0.004 0.000 0.335 231 W C 0.123 176.673 176.519 0.050 0.000 1.310 231 W CA -0.856 56.541 57.345 0.088 0.000 1.226 231 W CB -0.054 29.453 29.460 0.078 0.000 1.155 231 W HN -0.017 nan 8.180 nan 0.000 0.565 232 A N 2.261 125.210 122.820 0.214 0.000 2.455 232 A HA 0.608 4.930 4.320 0.004 0.000 0.300 232 A C -1.353 176.245 177.584 0.024 0.000 1.040 232 A CA -0.832 51.267 52.037 0.103 0.000 0.697 232 A CB 1.141 20.186 19.000 0.075 0.000 1.265 232 A HN 0.259 nan 8.150 nan 0.000 0.407 233 V N 3.017 122.935 119.914 0.006 0.000 2.403 233 V HA 0.059 4.181 4.120 0.004 0.000 0.265 233 V C 1.303 177.380 176.094 -0.029 0.000 1.034 233 V CA 1.130 63.408 62.300 -0.035 0.000 1.036 233 V CB 0.000 31.815 31.823 -0.014 0.000 1.032 233 V HN 1.078 nan 8.190 nan 0.000 0.478 234 E N 3.460 123.617 120.200 -0.072 0.000 2.447 234 E HA 0.174 4.526 4.350 0.004 0.000 0.195 234 E C 0.583 177.172 176.600 -0.019 0.000 1.028 234 E CA -0.170 56.201 56.400 -0.048 0.000 0.876 234 E CB 0.656 30.312 29.700 -0.073 0.000 0.885 234 E HN 0.593 nan 8.360 nan 0.000 0.500 235 Q N 0.152 119.935 119.800 -0.028 0.000 2.527 235 Q HA 0.422 4.764 4.340 0.004 0.000 0.280 235 Q C -2.206 173.920 176.000 0.210 0.000 0.977 235 Q CA -0.767 55.108 55.803 0.119 0.000 0.837 235 Q CB 2.518 31.356 28.738 0.166 0.000 1.454 235 Q HN 0.055 nan 8.270 nan 0.000 0.387 236 V N 2.262 122.434 119.914 0.429 0.000 2.623 236 V HA 0.623 4.745 4.120 0.004 0.000 0.304 236 V C -1.493 174.991 176.094 0.650 0.000 1.054 236 V CA -0.636 61.954 62.300 0.484 0.000 0.882 236 V CB 1.781 33.791 31.823 0.313 0.000 1.002 236 V HN 0.840 nan 8.190 nan 0.000 0.424 237 W N 6.142 127.694 121.300 0.420 0.000 2.532 237 W HA 0.722 5.384 4.660 0.004 0.000 0.321 237 W C -1.760 174.890 176.519 0.218 0.000 1.037 237 W CA -0.721 56.691 57.345 0.113 0.000 1.220 237 W CB 1.532 30.847 29.460 -0.241 0.000 1.361 237 W HN 0.608 nan 8.180 nan 0.000 0.468 238 Y N 7.374 127.467 120.300 -0.345 0.000 2.354 238 Y HA 0.240 4.792 4.550 0.004 0.000 0.330 238 Y C 0.279 175.716 175.900 -0.770 0.000 1.011 238 Y CA -1.363 56.518 58.100 -0.364 0.000 1.099 238 Y CB 0.968 39.361 38.460 -0.112 0.000 1.179 238 Y HN 0.645 nan 8.280 nan 0.000 0.442 239 N N 4.153 121.904 118.700 -1.582 0.000 2.714 239 N HA -0.196 4.546 4.740 0.004 0.000 0.252 239 N C 0.659 175.664 175.510 -0.842 0.000 1.014 239 N CA 2.202 54.605 53.050 -1.077 0.000 0.735 239 N CB -1.122 36.703 38.487 -1.104 0.000 0.924 239 N HN 1.633 nan 8.380 nan 0.000 0.540 240 G N -1.716 106.247 108.800 -1.396 0.000 2.179 240 G HA2 -0.257 3.705 3.960 0.004 0.000 0.220 240 G HA3 -0.257 3.705 3.960 0.004 0.000 0.220 240 G C -0.115 174.414 174.900 -0.618 0.000 0.990 240 G CA 0.429 45.175 45.100 -0.589 0.000 0.646 240 G HN 0.623 nan 8.290 nan 0.000 0.517 241 K N -0.506 119.329 120.400 -0.941 0.000 2.426 241 K HA 0.681 5.003 4.320 0.004 0.000 0.251 241 K C -0.921 175.205 176.600 -0.790 0.000 0.941 241 K CA -0.913 54.973 56.287 -0.668 0.000 0.808 241 K CB 1.616 33.780 32.500 -0.561 0.000 1.265 241 K HN -0.007 nan 8.250 nan 0.000 0.432 242 F N 0.765 120.525 119.950 -0.317 0.000 2.377 242 F HA 0.252 4.782 4.527 0.004 0.000 0.328 242 F C 0.792 176.373 175.800 -0.365 0.000 1.094 242 F CA 0.122 58.069 58.000 -0.089 0.000 1.093 242 F CB 0.595 39.649 39.000 0.091 0.000 1.214 242 F HN 0.565 nan 8.300 nan 0.000 0.518 243 Y N -0.378 120.089 120.300 0.278 0.000 2.540 243 Y HA 0.276 4.828 4.550 0.004 0.000 0.257 243 Y C 1.517 177.493 175.900 0.126 0.000 1.090 243 Y CA 0.284 58.469 58.100 0.142 0.000 1.242 243 Y CB 0.996 39.489 38.460 0.056 0.000 1.325 243 Y HN 0.789 nan 8.280 nan 0.000 0.544 244 G N 0.934 109.905 108.800 0.285 0.000 2.900 244 G HA2 -0.331 3.631 3.960 0.004 0.000 0.223 244 G HA3 -0.331 3.631 3.960 0.004 0.000 0.223 244 G C 0.380 175.365 174.900 0.142 0.000 1.293 244 G CA 0.467 45.674 45.100 0.179 0.000 0.792 244 G HN 0.726 nan 8.290 nan 0.000 0.527 245 S N -0.151 115.629 115.700 0.133 0.000 2.607 245 S HA 0.755 5.228 4.470 0.004 0.000 0.273 245 S C -2.007 172.617 174.600 0.041 0.000 1.148 245 S CA -0.261 57.985 58.200 0.076 0.000 0.833 245 S CB 2.418 65.646 63.200 0.046 0.000 1.130 245 S HN 0.051 nan 8.310 nan 0.000 0.470 246 P HA 0.006 nan 4.420 nan 0.000 0.215 246 P C 1.836 179.072 177.300 -0.106 0.000 1.153 246 P CA 2.510 65.574 63.100 -0.060 0.000 0.853 246 P CB -0.297 31.386 31.700 -0.028 0.000 0.788 247 E N 0.613 120.781 120.200 -0.054 0.000 2.077 247 E HA -0.282 4.071 4.350 0.004 0.000 0.193 247 E C 2.019 178.584 176.600 -0.059 0.000 0.989 247 E CA 1.763 58.132 56.400 -0.052 0.000 0.800 247 E CB -1.547 28.141 29.700 -0.019 0.000 0.746 247 E HN 0.488 nan 8.360 nan 0.000 0.452 248 E N -0.601 119.583 120.200 -0.026 0.000 2.051 248 E HA -0.147 4.205 4.350 0.004 0.000 0.192 248 E C 2.197 178.750 176.600 -0.077 0.000 0.991 248 E CA 1.292 57.695 56.400 0.005 0.000 0.799 248 E CB -0.169 29.586 29.700 0.091 0.000 0.748 248 E HN 0.405 nan 8.360 nan 0.000 0.449 249 L N 0.978 122.067 121.223 -0.223 0.000 2.046 249 L HA -0.095 4.247 4.340 0.004 0.000 0.208 249 L C 2.275 178.856 176.870 -0.481 0.000 1.077 249 L CA 2.232 56.710 54.840 -0.604 0.000 0.747 249 L CB -0.901 40.661 42.059 -0.828 0.000 0.896 249 L HN 0.194 nan 8.230 nan 0.000 0.432 250 A N -0.189 122.420 122.820 -0.352 0.000 1.865 250 A HA -0.261 4.061 4.320 0.004 0.000 0.217 250 A C 2.663 180.200 177.584 -0.079 0.000 1.191 250 A CA 3.068 54.980 52.037 -0.208 0.000 0.623 250 A CB -1.085 17.826 19.000 -0.148 0.000 0.826 250 A HN 0.498 nan 8.150 nan 0.000 0.444 251 R N 0.055 120.509 120.500 -0.075 0.000 2.082 251 R HA -0.166 4.176 4.340 0.004 0.000 0.234 251 R C 2.237 178.517 176.300 -0.032 0.000 1.136 251 R CA 2.187 58.265 56.100 -0.038 0.000 0.935 251 R CB -1.342 28.945 30.300 -0.020 0.000 0.842 251 R HN 0.708 nan 8.270 nan 0.000 0.430 252 K N -1.104 119.277 120.400 -0.031 0.000 2.103 252 K HA -0.163 4.159 4.320 0.004 0.000 0.207 252 K C 2.167 178.773 176.600 0.010 0.000 1.048 252 K CA 1.644 57.934 56.287 0.005 0.000 0.930 252 K CB -0.354 32.181 32.500 0.059 0.000 0.716 252 K HN 0.573 nan 8.250 nan 0.000 0.444 253 Y N 1.485 121.686 120.300 -0.165 0.000 2.163 253 Y HA -0.195 4.357 4.550 0.004 0.000 0.288 253 Y C 2.216 178.091 175.900 -0.042 0.000 1.136 253 Y CA 1.171 59.204 58.100 -0.111 0.000 1.147 253 Y CB -0.561 37.790 38.460 -0.183 0.000 0.987 253 Y HN 0.024 nan 8.280 nan 0.000 0.509 254 A N 0.155 122.860 122.820 -0.193 0.000 1.908 254 A HA -0.200 4.122 4.320 0.004 0.000 0.218 254 A C 1.610 179.076 177.584 -0.196 0.000 1.181 254 A CA 2.021 53.912 52.037 -0.242 0.000 0.627 254 A CB -0.854 18.091 19.000 -0.092 0.000 0.818 254 A HN 0.529 nan 8.150 nan 0.000 0.445 255 D N -0.737 119.596 120.400 -0.112 0.000 2.338 255 D HA 0.279 4.921 4.640 0.004 0.000 0.239 255 D C 1.295 177.556 176.300 -0.065 0.000 1.095 255 D CA 0.970 54.928 54.000 -0.070 0.000 0.888 255 D CB -0.494 40.289 40.800 -0.029 0.000 0.899 255 D HN 0.611 nan 8.370 nan 0.000 0.525 256 G N 1.298 110.031 108.800 -0.112 0.000 2.203 256 G HA2 -0.356 3.606 3.960 0.004 0.000 0.263 256 G HA3 -0.356 3.606 3.960 0.004 0.000 0.263 256 G C 0.632 175.538 174.900 0.009 0.000 1.012 256 G CA 0.148 45.207 45.100 -0.069 0.000 0.749 256 G HN 0.452 nan 8.290 nan 0.000 0.512 257 E N -0.952 119.268 120.200 0.033 0.000 2.444 257 E HA 0.300 4.652 4.350 0.004 0.000 0.191 257 E C 0.190 176.867 176.600 0.128 0.000 1.041 257 E CA -0.037 56.407 56.400 0.073 0.000 0.883 257 E CB 1.006 30.748 29.700 0.071 0.000 1.024 257 E HN 0.332 nan 8.360 nan 0.000 0.470 258 V N 1.558 121.568 119.914 0.161 0.000 2.409 258 V HA 0.223 4.345 4.120 0.004 0.000 0.291 258 V C -0.061 176.183 176.094 0.250 0.000 1.020 258 V CA -0.594 61.844 62.300 0.230 0.000 0.848 258 V CB 1.127 33.086 31.823 0.227 0.000 0.990 258 V HN 0.217 nan 8.190 nan 0.000 0.430 259 D N 4.342 124.874 120.400 0.220 0.000 2.367 259 D HA 0.447 5.089 4.640 0.004 0.000 0.255 259 D C 0.144 176.609 176.300 0.275 0.000 1.300 259 D CA 0.173 54.292 54.000 0.199 0.000 0.959 259 D CB 1.016 41.896 40.800 0.133 0.000 1.064 259 D HN 0.731 nan 8.370 nan 0.000 0.509 260 V N -0.470 119.633 119.914 0.316 0.000 2.837 260 V HA 0.771 4.893 4.120 0.004 0.000 0.310 260 V C 0.227 176.487 176.094 0.276 0.000 1.059 260 V CA -0.741 61.798 62.300 0.398 0.000 1.004 260 V CB 1.861 33.878 31.823 0.324 0.000 1.045 260 V HN 0.398 nan 8.190 nan 0.000 0.465 261 V N 3.763 123.851 119.914 0.290 0.000 2.313 261 V HA 0.323 4.445 4.120 0.004 0.000 0.278 261 V C 0.087 176.252 176.094 0.117 0.000 1.017 261 V CA -0.495 61.944 62.300 0.233 0.000 0.823 261 V CB 1.211 33.258 31.823 0.373 0.000 1.010 261 V HN 0.766 nan 8.190 nan 0.000 0.443 262 V N 7.040 127.011 119.914 0.094 0.000 2.427 262 V HA 0.246 4.368 4.120 0.004 0.000 0.268 262 V C 0.331 176.449 176.094 0.040 0.000 1.046 262 V CA -0.151 62.169 62.300 0.034 0.000 0.970 262 V CB 0.757 32.614 31.823 0.055 0.000 1.001 262 V HN 0.612 nan 8.190 nan 0.000 0.476 263 L N 3.932 125.141 121.223 -0.023 0.000 2.371 263 L HA 0.491 4.833 4.340 0.004 0.000 0.272 263 L C 0.974 177.894 176.870 0.082 0.000 1.124 263 L CA -0.083 54.752 54.840 -0.007 0.000 0.816 263 L CB 0.296 42.312 42.059 -0.072 0.000 1.129 263 L HN 0.805 nan 8.230 nan 0.000 0.448 264 E N 1.771 122.066 120.200 0.158 0.000 2.410 264 E HA 0.011 4.363 4.350 0.004 0.000 0.255 264 E C -0.386 176.292 176.600 0.130 0.000 1.194 264 E CA -0.554 55.931 56.400 0.142 0.000 0.955 264 E CB 0.420 30.217 29.700 0.162 0.000 0.988 264 E HN 0.679 nan 8.360 nan 0.000 0.461 265 D N 0.602 121.074 120.400 0.120 0.000 2.383 265 D HA 0.124 4.767 4.640 0.004 0.000 0.252 265 D C -1.289 175.091 176.300 0.133 0.000 1.166 265 D CA -1.591 52.488 54.000 0.131 0.000 0.879 265 D CB 1.474 42.333 40.800 0.098 0.000 1.164 265 D HN 0.243 nan 8.370 nan 0.000 0.462 266 P HA 0.098 nan 4.420 nan 0.000 0.218 266 P C 0.651 177.998 177.300 0.079 0.000 1.151 266 P CA 0.301 63.463 63.100 0.103 0.000 0.850 266 P CB 0.634 32.349 31.700 0.024 0.000 0.801 279 P HA 0.525 nan 4.420 nan 0.000 0.269 279 P C -2.509 174.804 177.300 0.021 0.000 1.215 279 P CA -0.846 62.265 63.100 0.019 0.000 0.780 279 P CB 0.382 32.101 31.700 0.032 0.000 0.898 280 P HA 0.070 nan 4.420 nan 0.000 0.269 280 P C -0.503 176.815 177.300 0.031 0.000 1.215 280 P CA -0.442 62.665 63.100 0.012 0.000 0.780 280 P CB 0.265 31.968 31.700 0.004 0.000 0.898 281 L N 3.426 124.650 121.223 0.003 0.000 2.490 281 L HA 0.058 4.400 4.340 0.004 0.000 0.274 281 L C 1.301 178.148 176.870 -0.037 0.000 1.201 281 L CA 0.168 54.998 54.840 -0.017 0.000 0.869 281 L CB -0.498 41.502 42.059 -0.099 0.000 1.123 281 L HN 0.433 nan 8.230 nan 0.000 0.484 282 F N 0.928 120.878 119.950 -0.000 0.000 2.236 282 F HA -0.162 4.368 4.527 0.004 0.000 0.302 282 F C 1.872 177.647 175.800 -0.041 0.000 1.073 282 F CA 1.136 59.109 58.000 -0.045 0.000 1.336 282 F CB -1.136 37.763 39.000 -0.169 0.000 1.040 282 F HN 0.556 nan 8.300 nan 0.000 0.507 283 S N -0.319 114.952 115.700 -0.716 0.000 2.605 283 S HA 0.177 4.649 4.470 0.004 0.000 0.217 283 S C 0.672 175.245 174.600 -0.044 0.000 0.958 283 S CA -0.195 57.785 58.200 -0.366 0.000 0.919 283 S CB -1.145 61.760 63.200 -0.492 0.000 0.780 283 S HN 0.535 nan 8.310 nan 0.000 0.507 284 S N 0.433 116.093 115.700 -0.066 0.000 2.616 284 S HA 0.431 4.903 4.470 0.004 0.000 0.277 284 S C 0.189 174.785 174.600 -0.007 0.000 1.234 284 S CA -0.538 57.676 58.200 0.024 0.000 1.028 284 S CB 0.496 63.697 63.200 0.001 0.000 0.988 284 S HN 0.360 nan 8.310 nan 0.000 0.522 285 H N 0.374 119.434 119.070 -0.016 0.000 2.547 285 H HA 0.270 4.828 4.556 0.004 0.000 0.266 285 H C 0.154 175.452 175.328 -0.049 0.000 0.988 285 H CA 0.229 56.249 56.048 -0.046 0.000 1.147 285 H CB 0.012 29.737 29.762 -0.060 0.000 1.365 285 H HN 0.536 nan 8.280 nan 0.000 0.589 286 K N 2.052 122.485 120.400 0.055 0.000 2.489 286 K HA 0.032 4.354 4.320 0.004 0.000 0.278 286 K C -2.410 174.180 176.600 -0.017 0.000 1.000 286 K CA -1.423 54.870 56.287 0.010 0.000 1.012 286 K CB 0.208 32.707 32.500 -0.002 0.000 0.903 286 K HN 0.066 nan 8.250 nan 0.000 0.485 287 P HA -0.000 nan 4.420 nan 0.000 0.268 287 P C -0.826 176.433 177.300 -0.069 0.000 1.205 287 P CA 0.149 63.209 63.100 -0.066 0.000 0.771 287 P CB 0.644 32.295 31.700 -0.081 0.000 0.858 288 R N 1.163 121.610 120.500 -0.088 0.000 2.734 288 R HA 0.746 5.088 4.340 0.004 0.000 0.271 288 R C -0.314 175.914 176.300 -0.119 0.000 1.021 288 R CA -0.422 55.629 56.100 -0.081 0.000 0.893 288 R CB 0.545 30.821 30.300 -0.041 0.000 1.244 288 R HN 0.698 nan 8.270 nan 0.000 0.464 289 G N 0.790 109.527 108.800 -0.104 0.000 2.814 289 G HA2 -0.117 3.846 3.960 0.004 0.000 0.677 289 G HA3 -0.117 3.846 3.960 0.004 0.000 0.677 289 G C -1.589 173.197 174.900 -0.191 0.000 1.429 289 G CA -0.182 44.843 45.100 -0.125 0.000 0.868 289 G HN 0.754 nan 8.290 nan 0.000 0.553 290 D N -0.268 120.030 120.400 -0.169 0.000 2.780 290 D HA 0.511 5.153 4.640 0.004 0.000 0.242 290 D C -0.219 176.015 176.300 -0.111 0.000 1.135 290 D CA -0.417 53.476 54.000 -0.178 0.000 0.859 290 D CB 1.325 42.083 40.800 -0.071 0.000 1.530 290 D HN 0.156 nan 8.370 nan 0.000 0.493 291 F N 1.912 121.854 119.950 -0.013 0.000 2.459 291 F HA 0.158 4.687 4.527 0.004 0.000 0.346 291 F C -0.537 175.255 175.800 -0.012 0.000 1.128 291 F CA -1.748 56.244 58.000 -0.013 0.000 1.268 291 F CB -0.116 38.876 39.000 -0.015 0.000 1.161 291 F HN 0.211 nan 8.300 nan 0.000 0.583 292 P HA -0.058 nan 4.420 nan 0.000 0.218 292 P C 0.084 177.431 177.300 0.078 0.000 1.149 292 P CA 1.046 64.204 63.100 0.097 0.000 0.817 292 P CB -0.048 31.688 31.700 0.061 0.000 0.785 293 S N 1.588 117.338 115.700 0.083 0.000 2.488 293 S HA 0.522 4.995 4.470 0.004 0.000 0.310 293 S C -2.295 172.353 174.600 0.081 0.000 1.093 293 S CA -1.537 56.690 58.200 0.045 0.000 1.129 293 S CB -0.437 62.757 63.200 -0.009 0.000 0.989 293 S HN -0.067 nan 8.310 nan 0.000 0.479 294 P HA 0.240 nan 4.420 nan 0.000 0.265 294 P C -0.784 176.562 177.300 0.077 0.000 1.193 294 P CA 0.041 63.196 63.100 0.092 0.000 0.765 294 P CB 0.388 32.118 31.700 0.050 0.000 0.823 295 I N 1.750 122.383 120.570 0.105 0.000 2.405 295 I HA 0.249 4.421 4.170 0.004 0.000 0.280 295 I C 1.548 177.694 176.117 0.049 0.000 1.027 295 I CA -0.334 61.009 61.300 0.072 0.000 1.161 295 I CB 0.829 38.886 38.000 0.096 0.000 1.300 295 I HN 0.557 nan 8.210 nan 0.000 0.463 296 H N 5.322 124.407 119.070 0.025 0.000 2.575 296 H HA 0.488 5.046 4.556 0.004 0.000 0.267 296 H C 0.553 175.883 175.328 0.004 0.000 0.966 296 H CA 0.675 56.730 56.048 0.012 0.000 1.165 296 H CB 0.176 29.942 29.762 0.007 0.000 1.433 296 H HN 0.416 nan 8.280 nan 0.000 0.544 297 V N -1.423 118.493 119.914 0.004 0.000 3.046 297 V HA 0.676 4.798 4.120 0.004 0.000 0.316 297 V C 0.345 176.436 176.094 -0.004 0.000 1.104 297 V CA -0.623 61.676 62.300 -0.002 0.000 1.006 297 V CB 1.551 33.373 31.823 -0.003 0.000 1.058 297 V HN 0.566 nan 8.190 nan 0.000 0.440 298 S N 1.390 117.084 115.700 -0.010 0.000 2.572 298 S HA 0.545 5.018 4.470 0.004 0.000 0.279 298 S C 0.624 175.218 174.600 -0.010 0.000 1.341 298 S CA 0.030 58.222 58.200 -0.013 0.000 1.043 298 S CB 0.593 63.783 63.200 -0.017 0.000 0.887 298 S HN 1.714 nan 8.310 nan 0.000 0.516 299 G N 1.482 110.275 108.800 -0.011 0.000 2.653 299 G HA2 0.504 4.466 3.960 0.004 0.000 0.265 299 G HA3 0.504 4.466 3.960 0.004 0.000 0.265 299 G C -2.275 172.619 174.900 -0.009 0.000 1.237 299 G CA -1.336 43.758 45.100 -0.011 0.000 0.946 299 G HN 0.654 nan 8.290 nan 0.000 0.522 300 P HA 0.502 nan 4.420 nan 0.000 0.269 300 P C -0.078 177.221 177.300 -0.002 0.000 1.217 300 P CA -0.075 63.024 63.100 -0.002 0.000 0.783 300 P CB 0.342 32.042 31.700 -0.001 0.000 0.898 301 R N 0.695 121.198 120.500 0.004 0.000 2.771 301 R HA 0.529 4.871 4.340 0.004 0.000 0.274 301 R C -0.863 175.445 176.300 0.014 0.000 0.987 301 R CA -0.833 55.271 56.100 0.005 0.000 0.908 301 R CB 0.155 30.460 30.300 0.007 0.000 1.213 301 R HN 0.390 nan 8.270 nan 0.000 0.468 302 L N 1.698 122.930 121.223 0.015 0.000 2.410 302 L HA 0.500 4.843 4.340 0.004 0.000 0.273 302 L C 0.685 177.574 176.870 0.031 0.000 1.152 302 L CA -0.013 54.844 54.840 0.029 0.000 0.855 302 L CB 1.402 43.480 42.059 0.032 0.000 1.129 302 L HN 0.694 nan 8.230 nan 0.000 0.463 303 V N 1.443 121.377 119.914 0.034 0.000 2.815 303 V HA 0.621 4.743 4.120 0.004 0.000 0.314 303 V C -0.371 175.742 176.094 0.032 0.000 1.064 303 V CA -0.714 61.601 62.300 0.025 0.000 0.952 303 V CB 1.730 33.559 31.823 0.010 0.000 1.020 303 V HN 0.807 nan 8.190 nan 0.000 0.439 304 Q N 3.004 122.816 119.800 0.019 0.000 3.048 304 Q HA 0.370 4.712 4.340 0.004 0.000 0.337 304 Q C -1.921 174.059 176.000 -0.033 0.000 0.845 304 Q CA -1.511 54.307 55.803 0.025 0.000 0.942 304 Q CB 1.717 30.487 28.738 0.054 0.000 1.454 304 Q HN 0.786 nan 8.270 nan 0.000 0.392 305 P HA -0.191 nan 4.420 nan 0.000 0.218 305 P C 0.437 177.564 177.300 -0.287 0.000 1.148 305 P CA 1.257 64.209 63.100 -0.247 0.000 0.822 305 P CB 0.208 31.664 31.700 -0.408 0.000 0.784 306 H N -0.830 118.252 119.070 0.019 0.000 2.539 306 H HA 0.286 4.844 4.556 0.004 0.000 0.267 306 H C 1.513 176.837 175.328 -0.007 0.000 0.982 306 H CA 0.912 56.967 56.048 0.011 0.000 1.146 306 H CB -0.183 29.591 29.762 0.021 0.000 1.382 306 H HN 0.203 nan 8.280 nan 0.000 0.577 307 G N 1.502 110.334 108.800 0.053 0.000 2.760 307 G HA2 -0.211 3.751 3.960 0.004 0.000 0.246 307 G HA3 -0.211 3.751 3.960 0.004 0.000 0.246 307 G C -2.671 172.199 174.900 -0.049 0.000 1.359 307 G CA -1.029 44.070 45.100 -0.003 0.000 0.861 307 G HN 0.102 nan 8.290 nan 0.000 0.541 308 P HA 0.303 nan 4.420 nan 0.000 0.268 308 P C 0.675 177.775 177.300 -0.334 0.000 1.205 308 P CA -0.054 62.773 63.100 -0.455 0.000 0.771 308 P CB 0.481 31.598 31.700 -0.972 0.000 0.858 309 R N 1.624 122.002 120.500 -0.203 0.000 2.290 309 R HA 0.159 4.501 4.340 0.004 0.000 0.197 309 R C 0.608 176.990 176.300 0.137 0.000 0.913 309 R CA 0.209 56.325 56.100 0.026 0.000 1.040 309 R CB -0.187 30.225 30.300 0.187 0.000 0.992 309 R HN 0.513 nan 8.270 nan 0.000 0.500 310 F N 0.177 120.235 119.950 0.179 0.000 2.378 310 F HA 0.471 5.000 4.527 0.003 0.000 0.325 310 F C -0.005 175.830 175.800 0.060 0.000 1.097 310 F CA -1.388 56.705 58.000 0.156 0.000 1.079 310 F CB 0.570 39.590 39.000 0.034 0.000 1.240 310 F HN -0.397 nan 8.300 nan 0.000 0.519 311 R N 2.689 123.322 120.500 0.223 0.000 2.275 311 R HA 0.500 4.842 4.340 0.004 0.000 0.326 311 R C -1.565 174.830 176.300 0.159 0.000 0.973 311 R CA -0.857 55.307 56.100 0.107 0.000 0.854 311 R CB 1.424 31.752 30.300 0.047 0.000 1.156 311 R HN 0.674 nan 8.270 nan 0.000 0.487 312 L N 2.232 123.583 121.223 0.214 0.000 2.265 312 L HA 0.366 4.709 4.340 0.004 0.000 0.289 312 L C -0.652 176.287 176.870 0.116 0.000 1.033 312 L CA 0.045 55.002 54.840 0.195 0.000 0.814 312 L CB 1.238 43.486 42.059 0.315 0.000 1.203 312 L HN 0.614 nan 8.230 nan 0.000 0.423 313 E N 4.328 124.569 120.200 0.069 0.000 2.265 313 E HA 0.544 4.897 4.350 0.004 0.000 0.262 313 E C 0.432 177.044 176.600 0.020 0.000 0.889 313 E CA 0.065 56.492 56.400 0.045 0.000 0.789 313 E CB 0.995 30.708 29.700 0.022 0.000 1.221 313 E HN 0.970 nan 8.360 nan 0.000 0.414 314 G N 4.776 113.596 108.800 0.032 0.000 2.596 314 G HA2 -0.392 3.570 3.960 0.004 0.000 0.304 314 G HA3 -0.392 3.570 3.960 0.004 0.000 0.304 314 G C 0.418 175.271 174.900 -0.079 0.000 1.189 314 G CA 0.566 45.662 45.100 -0.006 0.000 0.986 314 G HN 0.765 nan 8.290 nan 0.000 0.548 315 N N 1.825 120.370 118.700 -0.259 0.000 2.273 315 N HA 0.551 5.294 4.740 0.004 0.000 0.231 315 N C 0.215 175.409 175.510 -0.527 0.000 1.134 315 N CA 0.975 53.559 53.050 -0.776 0.000 0.856 315 N CB 0.434 38.423 38.487 -0.830 0.000 1.068 315 N HN 1.305 nan 8.380 nan 0.000 0.510 316 A N 0.192 122.891 122.820 -0.203 0.000 2.317 316 A HA 0.688 5.010 4.320 0.004 0.000 0.327 316 A C -0.709 176.777 177.584 -0.164 0.000 1.178 316 A CA -0.577 51.367 52.037 -0.156 0.000 0.817 316 A CB 1.493 20.440 19.000 -0.089 0.000 1.189 316 A HN 0.058 nan 8.150 nan 0.000 0.489 317 V N 3.370 123.047 119.914 -0.395 0.000 2.588 317 V HA 0.479 4.601 4.120 0.004 0.000 0.304 317 V C -0.524 175.319 176.094 -0.417 0.000 1.042 317 V CA -0.312 61.681 62.300 -0.513 0.000 0.877 317 V CB 1.505 32.641 31.823 -1.145 0.000 0.996 317 V HN 0.786 nan 8.190 nan 0.000 0.425 318 L N 4.792 125.934 121.223 -0.135 0.000 2.346 318 L HA 0.633 4.975 4.340 0.004 0.000 0.276 318 L C -1.367 175.613 176.870 0.184 0.000 1.006 318 L CA -0.739 54.099 54.840 -0.004 0.000 0.817 318 L CB 1.854 43.913 42.059 -0.001 0.000 1.272 318 L HN 0.714 nan 8.230 nan 0.000 0.421 319 Y N 2.729 123.084 120.300 0.093 0.000 2.294 319 Y HA 0.506 5.059 4.550 0.004 0.000 0.329 319 Y C 0.479 176.515 175.900 0.226 0.000 1.135 319 Y CA -0.144 58.072 58.100 0.193 0.000 1.213 319 Y CB 1.063 39.651 38.460 0.213 0.000 1.141 319 Y HN 0.776 nan 8.280 nan 0.000 0.446 320 G N 3.597 112.288 108.800 -0.182 0.000 2.672 320 G HA2 -0.441 3.522 3.960 0.004 0.000 0.332 320 G HA3 -0.441 3.522 3.960 0.004 0.000 0.332 320 G C 1.304 176.007 174.900 -0.328 0.000 1.213 320 G CA 0.720 45.658 45.100 -0.270 0.000 0.980 320 G HN 1.589 nan 8.290 nan 0.000 0.548 321 G N -0.468 107.961 108.800 -0.618 0.000 2.484 321 G HA2 0.224 4.186 3.960 0.004 0.000 0.218 321 G HA3 0.224 4.186 3.960 0.004 0.000 0.218 321 G C 0.661 174.873 174.900 -1.147 0.000 1.130 321 G CA 0.673 44.931 45.100 -1.402 0.000 0.784 321 G HN 0.493 nan 8.290 nan 0.000 0.543 322 W N 0.048 121.118 121.300 -0.382 0.000 2.251 322 W HA 0.612 5.274 4.660 0.003 0.000 0.329 322 W C 0.383 176.896 176.519 -0.010 0.000 1.234 322 W CA -0.494 56.849 57.345 -0.003 0.000 1.228 322 W CB 1.325 30.940 29.460 0.258 0.000 1.135 322 W HN -0.061 nan 8.180 nan 0.000 0.576 323 S N 3.833 119.755 115.700 0.371 0.000 2.614 323 S HA 0.746 5.219 4.470 0.004 0.000 0.275 323 S C -1.249 173.523 174.600 0.288 0.000 1.161 323 S CA -0.729 57.565 58.200 0.156 0.000 0.969 323 S CB -0.029 63.178 63.200 0.012 0.000 1.059 323 S HN 0.423 nan 8.310 nan 0.000 0.482 324 F N 1.855 121.811 119.950 0.010 0.000 2.713 324 F HA 0.938 5.467 4.527 0.004 0.000 0.311 324 F C -0.721 175.052 175.800 -0.045 0.000 1.141 324 F CA -1.033 56.946 58.000 -0.035 0.000 0.939 324 F CB 0.770 39.695 39.000 -0.124 0.000 1.325 324 F HN 0.679 nan 8.300 nan 0.000 0.453 325 A N 1.298 124.189 122.820 0.118 0.000 2.350 325 A HA 0.948 5.271 4.320 0.004 0.000 0.318 325 A C -1.478 176.205 177.584 0.164 0.000 1.132 325 A CA -0.686 51.356 52.037 0.008 0.000 0.811 325 A CB 1.173 20.169 19.000 -0.007 0.000 1.313 325 A HN 1.238 nan 8.150 nan 0.000 0.454 326 F N -0.872 119.118 119.950 0.068 0.000 2.629 326 F HA 0.926 5.455 4.527 0.004 0.000 0.316 326 F C -0.340 175.494 175.800 0.056 0.000 1.081 326 F CA -1.046 56.988 58.000 0.057 0.000 0.954 326 F CB 1.531 40.609 39.000 0.131 0.000 1.337 326 F HN 0.895 nan 8.300 nan 0.000 0.474 327 R N 1.016 121.669 120.500 0.255 0.000 2.734 327 R HA 0.788 5.130 4.340 0.004 0.000 0.271 327 R C -2.521 173.912 176.300 0.221 0.000 1.021 327 R CA -1.145 55.069 56.100 0.189 0.000 0.893 327 R CB 1.884 32.244 30.300 0.100 0.000 1.244 327 R HN 0.896 nan 8.270 nan 0.000 0.464 328 L N 1.572 122.902 121.223 0.178 0.000 2.366 328 L HA 0.479 4.821 4.340 0.004 0.000 0.266 328 L C -0.564 176.374 176.870 0.114 0.000 1.010 328 L CA -0.498 54.423 54.840 0.136 0.000 0.879 328 L CB 1.248 43.397 42.059 0.149 0.000 1.228 328 L HN 0.713 nan 8.230 nan 0.000 0.439 329 R N 2.314 122.855 120.500 0.069 0.000 2.351 329 R HA 0.147 4.489 4.340 0.004 0.000 0.318 329 R C 1.025 177.346 176.300 0.035 0.000 1.055 329 R CA 0.433 56.571 56.100 0.063 0.000 0.968 329 R CB 0.835 31.158 30.300 0.039 0.000 0.974 329 R HN 0.830 nan 8.270 nan 0.000 0.439 330 S N 1.691 117.441 115.700 0.082 0.000 2.387 330 S HA -0.226 4.246 4.470 0.004 0.000 0.230 330 S C 1.763 176.308 174.600 -0.093 0.000 1.035 330 S CA 1.899 60.085 58.200 -0.023 0.000 1.014 330 S CB -0.080 63.190 63.200 0.117 0.000 0.836 330 S HN 0.865 nan 8.310 nan 0.000 0.466 331 S N 1.649 117.356 115.700 0.012 0.000 2.335 331 S HA -0.060 4.412 4.470 0.004 0.000 0.217 331 S C 2.004 176.573 174.600 -0.051 0.000 1.032 331 S CA 1.289 59.505 58.200 0.027 0.000 0.985 331 S CB -0.567 62.683 63.200 0.083 0.000 0.896 331 S HN 0.616 nan 8.310 nan 0.000 0.445 332 S N 0.336 115.994 115.700 -0.069 0.000 2.506 332 S HA 0.597 5.069 4.470 0.004 0.000 0.219 332 S C 1.177 175.631 174.600 -0.243 0.000 1.031 332 S CA 0.317 58.436 58.200 -0.135 0.000 0.911 332 S CB -0.044 63.096 63.200 -0.100 0.000 0.812 332 S HN 1.428 nan 8.310 nan 0.000 0.497 333 G N 1.250 109.930 108.800 -0.199 0.000 2.378 333 G HA2 0.031 3.993 3.960 0.004 0.000 0.198 333 G HA3 0.031 3.993 3.960 0.004 0.000 0.198 333 G C -1.091 173.715 174.900 -0.157 0.000 1.223 333 G CA -0.495 44.449 45.100 -0.260 0.000 1.088 333 G HN 0.606 nan 8.290 nan 0.000 0.530 334 L N 1.534 122.649 121.223 -0.180 0.000 2.416 334 L HA 0.565 4.907 4.340 0.004 0.000 0.272 334 L C 0.592 177.543 176.870 0.135 0.000 1.161 334 L CA 0.675 55.542 54.840 0.045 0.000 0.845 334 L CB 0.657 42.790 42.059 0.125 0.000 1.119 334 L HN 0.623 nan 8.230 nan 0.000 0.464 335 Q N 3.966 123.831 119.800 0.108 0.000 2.359 335 Q HA 0.627 4.969 4.340 0.004 0.000 0.274 335 Q C -1.325 174.604 176.000 -0.120 0.000 1.074 335 Q CA -1.000 54.782 55.803 -0.035 0.000 0.810 335 Q CB 2.641 31.352 28.738 -0.045 0.000 1.342 335 Q HN 0.532 nan 8.270 nan 0.000 0.427 336 V N -0.037 119.636 119.914 -0.401 0.000 2.459 336 V HA 0.746 4.868 4.120 0.004 0.000 0.295 336 V C -0.814 175.069 176.094 -0.351 0.000 1.029 336 V CA -0.713 61.392 62.300 -0.325 0.000 0.874 336 V CB 1.038 32.540 31.823 -0.535 0.000 0.985 336 V HN 0.634 nan 8.190 nan 0.000 0.438 337 L N 3.242 124.249 121.223 -0.359 0.000 2.354 337 L HA 0.644 4.986 4.340 0.004 0.000 0.264 337 L C 0.544 177.065 176.870 -0.582 0.000 1.008 337 L CA -0.685 53.738 54.840 -0.696 0.000 0.819 337 L CB 1.672 42.962 42.059 -1.281 0.000 1.339 337 L HN 0.900 nan 8.230 nan 0.000 0.420 338 N N 0.636 118.983 118.700 -0.588 0.000 2.740 338 N HA -0.165 4.578 4.740 0.004 0.000 0.248 338 N C -0.928 174.666 175.510 0.139 0.000 1.062 338 N CA 0.334 53.280 53.050 -0.174 0.000 0.704 338 N CB -0.637 37.808 38.487 -0.071 0.000 0.968 338 N HN 0.317 nan 8.380 nan 0.000 0.547 339 V N 1.939 121.888 119.914 0.058 0.000 2.439 339 V HA 0.158 4.280 4.120 0.004 0.000 0.271 339 V C 0.624 176.850 176.094 0.220 0.000 1.040 339 V CA 0.092 62.527 62.300 0.224 0.000 1.002 339 V CB 0.477 32.381 31.823 0.136 0.000 1.000 339 V HN 0.340 nan 8.190 nan 0.000 0.477 340 H N 3.871 123.093 119.070 0.254 0.000 2.621 340 H HA 0.677 5.235 4.556 0.004 0.000 0.360 340 H C -0.940 174.547 175.328 0.266 0.000 1.163 340 H CA -0.743 55.432 56.048 0.212 0.000 1.194 340 H CB 1.761 31.607 29.762 0.139 0.000 1.649 340 H HN 0.580 nan 8.280 nan 0.000 0.532 341 F N 0.110 120.136 119.950 0.125 0.000 2.556 341 F HA 0.454 4.983 4.527 0.004 0.000 0.314 341 F C 0.862 176.767 175.800 0.176 0.000 1.106 341 F CA 0.201 58.165 58.000 -0.059 0.000 0.911 341 F CB 1.615 40.377 39.000 -0.397 0.000 1.190 341 F HN 0.765 nan 8.300 nan 0.000 0.448 342 G N 2.844 111.543 108.800 -0.169 0.000 2.179 342 G HA2 -0.008 3.954 3.960 0.004 0.000 0.257 342 G HA3 -0.008 3.954 3.960 0.004 0.000 0.257 342 G C 1.013 176.000 174.900 0.145 0.000 1.010 342 G CA 0.584 45.733 45.100 0.081 0.000 0.736 342 G HN 2.225 nan 8.290 nan 0.000 0.513 343 G N -1.540 107.332 108.800 0.121 0.000 2.148 343 G HA2 -0.194 3.768 3.960 0.004 0.000 0.254 343 G HA3 -0.194 3.768 3.960 0.004 0.000 0.254 343 G C -0.050 175.039 174.900 0.315 0.000 0.981 343 G CA 0.994 46.188 45.100 0.157 0.000 0.670 343 G HN 1.159 nan 8.290 nan 0.000 0.528 344 E N -0.387 120.039 120.200 0.378 0.000 2.222 344 E HA 0.471 4.823 4.350 0.004 0.000 0.267 344 E C 0.202 176.872 176.600 0.117 0.000 0.884 344 E CA -1.052 55.539 56.400 0.317 0.000 0.764 344 E CB 1.842 31.748 29.700 0.343 0.000 1.169 344 E HN 0.301 nan 8.360 nan 0.000 0.413 345 R N 2.537 122.908 120.500 -0.216 0.000 2.590 345 R HA 0.153 4.495 4.340 0.004 0.000 0.274 345 R C 0.357 176.547 176.300 -0.185 0.000 1.061 345 R CA 0.429 56.205 56.100 -0.541 0.000 1.081 345 R CB 0.422 30.444 30.300 -0.463 0.000 0.984 345 R HN 0.650 nan 8.270 nan 0.000 0.448 346 I N 1.772 122.195 120.570 -0.246 0.000 3.812 346 I HA 0.260 4.433 4.170 0.004 0.000 0.292 346 I C -0.013 175.942 176.117 -0.269 0.000 1.206 346 I CA 0.057 61.145 61.300 -0.353 0.000 1.370 346 I CB 0.878 38.537 38.000 -0.568 0.000 1.328 346 I HN 0.596 nan 8.210 nan 0.000 0.453 347 A N -0.901 121.808 122.820 -0.186 0.000 2.408 347 A HA 0.350 4.673 4.320 0.004 0.000 0.295 347 A C -0.519 177.015 177.584 -0.082 0.000 1.040 347 A CA -0.464 51.488 52.037 -0.141 0.000 0.707 347 A CB 0.545 19.443 19.000 -0.170 0.000 1.235 347 A HN 0.275 nan 8.150 nan 0.000 0.418 348 Y N 1.549 121.756 120.300 -0.155 0.000 2.314 348 Y HA 0.151 4.703 4.550 0.004 0.000 0.293 348 Y C 0.756 176.559 175.900 -0.162 0.000 1.129 348 Y CA 2.304 60.327 58.100 -0.128 0.000 1.201 348 Y CB 0.379 38.778 38.460 -0.101 0.000 0.999 348 Y HN 0.706 nan 8.280 nan 0.000 0.541 349 E N -0.098 120.020 120.200 -0.136 0.000 2.354 349 E HA 0.471 4.824 4.350 0.004 0.000 0.283 349 E C -2.147 174.333 176.600 -0.200 0.000 0.938 349 E CA -0.622 55.650 56.400 -0.214 0.000 0.777 349 E CB 1.953 31.603 29.700 -0.083 0.000 1.222 349 E HN -0.169 nan 8.360 nan 0.000 0.423 350 V N 2.852 122.612 119.914 -0.258 0.000 2.525 350 V HA 0.573 4.695 4.120 0.004 0.000 0.299 350 V C -0.695 175.297 176.094 -0.170 0.000 1.034 350 V CA -0.589 61.585 62.300 -0.209 0.000 0.863 350 V CB 1.378 33.025 31.823 -0.293 0.000 0.999 350 V HN 0.703 nan 8.190 nan 0.000 0.423 351 S N 2.821 118.544 115.700 0.037 0.000 2.541 351 S HA 0.726 5.198 4.470 0.004 0.000 0.271 351 S C -0.863 173.789 174.600 0.087 0.000 1.133 351 S CA -0.873 57.374 58.200 0.078 0.000 0.876 351 S CB 1.715 64.895 63.200 -0.034 0.000 1.105 351 S HN 0.440 nan 8.310 nan 0.000 0.470 352 V N 3.363 123.228 119.914 -0.082 0.000 2.585 352 V HA 0.155 4.277 4.120 0.004 0.000 0.296 352 V C 0.784 176.663 176.094 -0.360 0.000 1.035 352 V CA 0.197 62.197 62.300 -0.500 0.000 1.084 352 V CB 0.634 31.930 31.823 -0.877 0.000 0.953 352 V HN 0.951 nan 8.190 nan 0.000 0.483 353 Q N 2.140 121.715 119.800 -0.374 0.000 2.442 353 Q HA 0.276 4.618 4.340 0.004 0.000 0.228 353 Q C 0.443 176.282 176.000 -0.268 0.000 0.902 353 Q CA 0.411 56.075 55.803 -0.231 0.000 0.933 353 Q CB 1.019 29.684 28.738 -0.121 0.000 1.071 353 Q HN 0.858 nan 8.270 nan 0.000 0.562 354 E N -1.026 118.960 120.200 -0.357 0.000 2.388 354 E HA 0.623 4.975 4.350 0.004 0.000 0.280 354 E C -2.084 174.429 176.600 -0.145 0.000 1.019 354 E CA -0.407 55.860 56.400 -0.221 0.000 0.806 354 E CB 1.714 31.310 29.700 -0.174 0.000 1.246 354 E HN 0.046 nan 8.360 nan 0.000 0.443 355 A N 1.791 124.637 122.820 0.044 0.000 2.402 355 A HA 0.709 5.031 4.320 0.004 0.000 0.291 355 A C -1.164 176.608 177.584 0.315 0.000 1.051 355 A CA -0.151 51.989 52.037 0.172 0.000 0.716 355 A CB 0.843 19.858 19.000 0.025 0.000 1.223 355 A HN 1.077 nan 8.150 nan 0.000 0.425 356 V N -0.820 119.326 119.914 0.387 0.000 2.962 356 V HA 1.011 5.133 4.120 0.004 0.000 0.313 356 V C -0.219 176.039 176.094 0.273 0.000 1.099 356 V CA -0.415 62.093 62.300 0.346 0.000 0.971 356 V CB 1.697 33.702 31.823 0.303 0.000 1.028 356 V HN 2.110 nan 8.190 nan 0.000 0.430 357 A N 4.578 127.531 122.820 0.223 0.000 2.411 357 A HA 0.825 5.147 4.320 0.004 0.000 0.285 357 A C -0.971 176.596 177.584 -0.028 0.000 1.129 357 A CA -0.527 51.517 52.037 0.011 0.000 0.736 357 A CB 0.869 19.932 19.000 0.105 0.000 1.186 357 A HN 1.019 nan 8.150 nan 0.000 0.445 358 L N 2.995 124.091 121.223 -0.212 0.000 2.280 358 L HA 0.493 4.836 4.340 0.004 0.000 0.287 358 L C -1.017 175.723 176.870 -0.217 0.000 1.023 358 L CA -0.513 54.262 54.840 -0.108 0.000 0.819 358 L CB 0.813 42.819 42.059 -0.087 0.000 1.212 358 L HN 0.710 nan 8.230 nan 0.000 0.420 359 Y N 1.004 121.302 120.300 -0.003 0.000 2.496 359 Y HA 0.700 5.252 4.550 0.004 0.000 0.331 359 Y C 0.872 176.783 175.900 0.020 0.000 1.140 359 Y CA -0.489 57.630 58.100 0.032 0.000 1.166 359 Y CB 2.071 40.544 38.460 0.021 0.000 1.249 359 Y HN 0.537 nan 8.280 nan 0.000 0.479 360 G N -0.620 108.299 108.800 0.198 0.000 2.511 360 G HA2 0.666 4.629 3.960 0.004 0.000 0.318 360 G HA3 0.666 4.629 3.960 0.004 0.000 0.318 360 G C -0.924 174.025 174.900 0.082 0.000 1.210 360 G CA -0.682 44.500 45.100 0.136 0.000 0.969 360 G HN 0.893 nan 8.290 nan 0.000 0.484 361 G N -1.001 107.677 108.800 -0.203 0.000 2.601 361 G HA2 0.468 4.430 3.960 0.004 0.000 0.291 361 G HA3 0.468 4.430 3.960 0.004 0.000 0.291 361 G C 0.192 174.714 174.900 -0.631 0.000 1.456 361 G CA -0.110 44.822 45.100 -0.280 0.000 0.804 361 G HN 0.865 nan 8.290 nan 0.000 0.499 362 H N -1.039 117.773 119.070 -0.430 0.000 2.448 362 H HA 0.082 4.640 4.556 0.004 0.000 0.292 362 H C 1.198 176.302 175.328 -0.373 0.000 1.035 362 H CA 1.221 57.099 56.048 -0.283 0.000 1.349 362 H CB -0.518 29.228 29.762 -0.027 0.000 1.425 362 H HN 0.608 nan 8.280 nan 0.000 0.539 363 T N -1.025 112.853 114.554 -1.126 0.000 2.899 363 T HA 0.213 4.565 4.350 0.004 0.000 0.284 363 T C -1.794 172.258 174.700 -1.080 0.000 1.004 363 T CA -1.777 59.453 62.100 -1.450 0.000 1.043 363 T CB 2.297 70.208 68.868 -1.596 0.000 1.013 363 T HN -0.115 nan 8.240 nan 0.000 0.518 364 P HA -0.022 nan 4.420 nan 0.000 0.215 364 P C 1.649 178.345 177.300 -1.006 0.000 1.153 364 P CA 1.504 63.912 63.100 -1.154 0.000 0.853 364 P CB -0.329 30.245 31.700 -1.875 0.000 0.788 365 A N -0.041 122.251 122.820 -0.880 0.000 1.902 365 A HA -0.092 4.230 4.320 0.004 0.000 0.217 365 A C 2.521 179.939 177.584 -0.277 0.000 1.181 365 A CA 2.151 53.973 52.037 -0.359 0.000 0.623 365 A CB -1.895 17.013 19.000 -0.153 0.000 0.818 365 A HN 0.285 nan 8.150 nan 0.000 0.443 366 G N 0.426 108.996 108.800 -0.384 0.000 2.404 366 G HA2 -0.217 3.745 3.960 0.004 0.000 0.215 366 G HA3 -0.217 3.745 3.960 0.004 0.000 0.215 366 G C 1.648 176.440 174.900 -0.181 0.000 1.174 366 G CA 1.297 46.235 45.100 -0.269 0.000 0.780 366 G HN 0.726 nan 8.290 nan 0.000 0.537 367 M N -0.463 118.980 119.600 -0.263 0.000 2.557 367 M HA 0.259 4.741 4.480 0.004 0.000 0.259 367 M C 2.125 178.379 176.300 -0.077 0.000 1.086 367 M CA 1.552 56.753 55.300 -0.166 0.000 1.096 367 M CB 0.087 32.562 32.600 -0.208 0.000 1.424 367 M HN 0.199 nan 8.290 nan 0.000 0.488 368 Q N 1.626 121.369 119.800 -0.095 0.000 2.302 368 Q HA 0.111 4.453 4.340 0.004 0.000 0.202 368 Q C -0.143 175.849 176.000 -0.014 0.000 0.936 368 Q CA 0.886 56.691 55.803 0.004 0.000 0.886 368 Q CB 0.123 28.905 28.738 0.073 0.000 0.986 368 Q HN 0.468 nan 8.270 nan 0.000 0.487 369 T N 2.113 116.622 114.554 -0.075 0.000 2.743 369 T HA 0.238 4.590 4.350 0.004 0.000 0.290 369 T C -0.629 174.030 174.700 -0.069 0.000 0.908 369 T CA 0.021 61.986 62.100 -0.224 0.000 1.092 369 T CB 0.203 68.797 68.868 -0.458 0.000 0.882 369 T HN 0.070 nan 8.240 nan 0.000 0.531 370 K N 3.608 123.943 120.400 -0.108 0.000 2.579 370 K HA 0.254 4.576 4.320 0.004 0.000 0.225 370 K C -1.173 175.464 176.600 0.061 0.000 0.992 370 K CA -0.674 55.617 56.287 0.008 0.000 1.018 370 K CB 0.911 33.409 32.500 -0.004 0.000 1.249 370 K HN 0.444 nan 8.250 nan 0.000 0.489 371 Y N 2.017 122.428 120.300 0.184 0.000 2.402 371 Y HA 0.158 4.710 4.550 0.004 0.000 0.333 371 Y C -0.007 176.042 175.900 0.249 0.000 1.076 371 Y CA -0.614 57.612 58.100 0.211 0.000 1.299 371 Y CB 0.544 39.070 38.460 0.110 0.000 1.197 371 Y HN 0.314 nan 8.280 nan 0.000 0.517 372 L N 4.562 126.085 121.223 0.499 0.000 2.295 372 L HA 0.310 4.652 4.340 0.004 0.000 0.281 372 L C 0.710 177.859 176.870 0.466 0.000 1.018 372 L CA -0.159 54.920 54.840 0.397 0.000 0.841 372 L CB 1.175 43.416 42.059 0.303 0.000 1.218 372 L HN 0.555 nan 8.230 nan 0.000 0.424 373 D N 1.524 122.155 120.400 0.384 0.000 2.269 373 D HA -0.083 4.559 4.640 0.004 0.000 0.208 373 D C 2.020 178.506 176.300 0.309 0.000 0.963 373 D CA 0.784 55.018 54.000 0.391 0.000 0.864 373 D CB 0.429 41.379 40.800 0.249 0.000 0.936 373 D HN 0.291 nan 8.370 nan 0.000 0.505 374 V N 0.892 120.911 119.914 0.175 0.000 2.720 374 V HA -0.138 3.984 4.120 0.004 0.000 0.256 374 V C 2.388 178.555 176.094 0.122 0.000 1.082 374 V CA 1.753 64.106 62.300 0.088 0.000 1.101 374 V CB -0.791 31.039 31.823 0.012 0.000 0.693 374 V HN 0.251 nan 8.190 nan 0.000 0.479 375 G N -1.706 107.188 108.800 0.158 0.000 2.625 375 G HA2 -0.201 3.761 3.960 0.004 0.000 0.214 375 G HA3 -0.201 3.761 3.960 0.004 0.000 0.214 375 G C 0.811 175.615 174.900 -0.160 0.000 1.132 375 G CA 0.122 45.216 45.100 -0.010 0.000 0.782 375 G HN 0.694 nan 8.290 nan 0.000 0.538 376 W N -0.685 120.702 121.300 0.146 0.000 2.684 376 W HA 0.463 5.125 4.660 0.004 0.000 0.381 376 W C 1.181 177.643 176.519 -0.096 0.000 0.975 376 W CA -0.512 56.914 57.345 0.135 0.000 1.789 376 W CB 0.227 29.740 29.460 0.088 0.000 1.161 376 W HN 0.233 nan 8.180 nan 0.000 0.564 377 G N 2.138 110.936 108.800 -0.003 0.000 2.353 377 G HA2 -0.335 3.627 3.960 0.004 0.000 0.294 377 G HA3 -0.335 3.627 3.960 0.004 0.000 0.294 377 G C 0.700 175.426 174.900 -0.290 0.000 1.077 377 G CA 0.137 44.987 45.100 -0.417 0.000 1.098 377 G HN 0.306 nan 8.290 nan 0.000 0.511 378 L N 0.620 121.779 121.223 -0.107 0.000 2.089 378 L HA 0.042 4.384 4.340 0.004 0.000 0.213 378 L C 2.542 179.300 176.870 -0.187 0.000 1.079 378 L CA 3.421 58.204 54.840 -0.095 0.000 0.758 378 L CB -0.478 41.514 42.059 -0.111 0.000 0.891 378 L HN 0.589 nan 8.230 nan 0.000 0.433 379 G N -2.540 106.109 108.800 -0.253 0.000 2.920 379 G HA2 -0.048 3.914 3.960 0.004 0.000 0.208 379 G HA3 -0.048 3.914 3.960 0.004 0.000 0.208 379 G C 1.092 175.694 174.900 -0.496 0.000 1.159 379 G CA 0.626 45.563 45.100 -0.271 0.000 0.784 379 G HN 0.553 nan 8.290 nan 0.000 0.535 380 S N -0.548 114.718 115.700 -0.723 0.000 2.650 380 S HA 0.187 4.660 4.470 0.004 0.000 0.240 380 S C 0.804 174.889 174.600 -0.858 0.000 1.007 380 S CA 0.269 57.663 58.200 -1.343 0.000 0.984 380 S CB 0.594 63.090 63.200 -1.173 0.000 0.910 380 S HN 0.464 nan 8.310 nan 0.000 0.509 381 V N 0.090 119.718 119.914 -0.478 0.000 2.933 381 V HA 0.413 4.535 4.120 0.004 0.000 0.374 381 V C 0.484 176.453 176.094 -0.208 0.000 1.321 381 V CA -0.109 62.029 62.300 -0.270 0.000 1.290 381 V CB -1.142 30.672 31.823 -0.015 0.000 1.346 381 V HN 0.482 nan 8.190 nan 0.000 0.560 382 T N -1.002 113.372 114.554 -0.300 0.000 4.104 382 T HA 0.320 4.672 4.350 0.004 0.000 0.285 382 T C 0.283 174.954 174.700 -0.048 0.000 1.346 382 T CA -0.180 61.867 62.100 -0.088 0.000 1.158 382 T CB -0.690 68.165 68.868 -0.022 0.000 1.290 382 T HN 0.570 nan 8.240 nan 0.000 0.975 383 H N 1.257 120.408 119.070 0.134 0.000 2.534 383 H HA 0.289 4.847 4.556 0.004 0.000 0.364 383 H C 0.475 175.875 175.328 0.120 0.000 1.328 383 H CA -0.645 55.467 56.048 0.107 0.000 1.415 383 H CB 0.782 30.564 29.762 0.034 0.000 1.573 383 H HN 0.652 nan 8.280 nan 0.000 0.601 384 E N 1.413 121.757 120.200 0.239 0.000 2.415 384 E HA 0.034 4.386 4.350 0.004 0.000 0.260 384 E C -0.488 176.266 176.600 0.257 0.000 1.016 384 E CA -0.279 56.185 56.400 0.107 0.000 0.924 384 E CB 0.205 29.772 29.700 -0.223 0.000 0.961 384 E HN 0.272 nan 8.360 nan 0.000 0.459 385 L N 3.916 125.270 121.223 0.218 0.000 2.360 385 L HA 0.222 4.564 4.340 0.004 0.000 0.276 385 L C 0.317 177.339 176.870 0.254 0.000 1.121 385 L CA -0.467 54.541 54.840 0.279 0.000 0.845 385 L CB 0.960 43.239 42.059 0.368 0.000 1.143 385 L HN 0.579 nan 8.230 nan 0.000 0.452 386 A N 6.480 129.476 122.820 0.293 0.000 2.347 386 A HA 0.506 4.828 4.320 0.004 0.000 0.287 386 A C -2.306 175.390 177.584 0.187 0.000 1.199 386 A CA -1.408 50.790 52.037 0.268 0.000 0.851 386 A CB -0.262 18.855 19.000 0.195 0.000 1.118 386 A HN 0.394 nan 8.150 nan 0.000 0.525 387 P HA 0.296 nan 4.420 nan 0.000 0.267 387 P C 1.114 178.563 177.300 0.248 0.000 1.205 387 P CA 1.627 64.743 63.100 0.027 0.000 0.765 387 P CB 0.956 32.455 31.700 -0.335 0.000 0.828 388 G N 2.373 111.296 108.800 0.204 0.000 2.217 388 G HA2 -0.273 3.689 3.960 0.004 0.000 0.246 388 G HA3 -0.273 3.689 3.960 0.004 0.000 0.246 388 G C 0.644 175.574 174.900 0.050 0.000 0.990 388 G CA 0.286 45.453 45.100 0.112 0.000 0.627 388 G HN 0.484 nan 8.290 nan 0.000 0.522 389 I N -0.503 120.111 120.570 0.074 0.000 3.632 389 I HA 0.202 4.375 4.170 0.004 0.000 0.246 389 I C 1.923 178.042 176.117 0.003 0.000 1.125 389 I CA 0.441 61.749 61.300 0.014 0.000 1.519 389 I CB -0.161 37.840 38.000 0.003 0.000 1.555 389 I HN -0.104 nan 8.210 nan 0.000 0.452 390 D N 0.782 121.217 120.400 0.057 0.000 2.149 390 D HA -0.006 4.636 4.640 0.004 0.000 0.201 390 D C 0.313 176.622 176.300 0.015 0.000 0.972 390 D CA 1.030 55.063 54.000 0.054 0.000 0.835 390 D CB 0.164 41.043 40.800 0.132 0.000 0.966 390 D HN 0.282 nan 8.370 nan 0.000 0.476 391 c N -0.151 118.461 118.600 0.019 0.000 3.080 391 c HA 0.456 5.029 4.570 0.004 0.000 0.307 391 c C -2.420 171.502 174.090 -0.280 0.000 1.311 391 c CA -1.784 54.359 56.329 -0.311 0.000 1.533 391 c CB 1.902 44.176 42.510 -0.393 0.000 1.970 391 c HN 0.025 nan 8.230 nan 0.000 0.467 392 P HA 0.146 nan 4.420 nan 0.000 0.268 392 P C 0.179 177.456 177.300 -0.039 0.000 1.208 392 P CA 0.398 63.328 63.100 -0.284 0.000 0.777 392 P CB 0.502 31.989 31.700 -0.354 0.000 0.875 393 E N 0.078 120.311 120.200 0.054 0.000 2.267 393 E HA -0.156 4.197 4.350 0.004 0.000 0.197 393 E C 1.428 178.123 176.600 0.157 0.000 0.998 393 E CA 1.829 58.317 56.400 0.146 0.000 0.830 393 E CB -0.780 28.979 29.700 0.100 0.000 0.751 393 E HN 0.593 nan 8.360 nan 0.000 0.491 394 T N -2.076 112.524 114.554 0.076 0.000 3.129 394 T HA 0.375 4.727 4.350 0.004 0.000 0.251 394 T C 0.835 175.582 174.700 0.080 0.000 1.117 394 T CA 0.072 62.221 62.100 0.081 0.000 1.034 394 T CB 0.060 68.968 68.868 0.066 0.000 0.968 394 T HN 0.129 nan 8.240 nan 0.000 0.526 395 A N 1.672 124.479 122.820 -0.021 0.000 2.386 395 A HA 0.512 4.834 4.320 0.004 0.000 0.248 395 A C 0.537 178.029 177.584 -0.154 0.000 1.082 395 A CA -0.414 51.519 52.037 -0.174 0.000 0.789 395 A CB -0.002 18.598 19.000 -0.667 0.000 1.025 395 A HN 0.376 nan 8.150 nan 0.000 0.490 396 T N 2.242 116.771 114.554 -0.042 0.000 2.749 396 T HA 0.471 4.823 4.350 0.004 0.000 0.295 396 T C -0.685 173.926 174.700 -0.148 0.000 0.936 396 T CA 0.526 62.651 62.100 0.042 0.000 1.060 396 T CB -0.378 68.613 68.868 0.206 0.000 0.904 396 T HN 0.315 nan 8.240 nan 0.000 0.500 397 F N 2.775 122.785 119.950 0.099 0.000 2.443 397 F HA 0.596 5.125 4.527 0.004 0.000 0.335 397 F C 0.164 176.007 175.800 0.072 0.000 1.104 397 F CA -1.099 56.944 58.000 0.071 0.000 1.013 397 F CB 1.116 40.140 39.000 0.041 0.000 1.136 397 F HN 0.218 nan 8.300 nan 0.000 0.470 398 L N 3.038 124.396 121.223 0.225 0.000 2.386 398 L HA 0.457 4.799 4.340 0.004 0.000 0.271 398 L C -0.951 175.992 176.870 0.123 0.000 0.993 398 L CA -1.059 53.882 54.840 0.168 0.000 0.819 398 L CB 1.885 44.038 42.059 0.157 0.000 1.294 398 L HN 0.472 nan 8.230 nan 0.000 0.414 399 D N 0.675 121.133 120.400 0.097 0.000 2.329 399 D HA 0.513 5.155 4.640 0.004 0.000 0.246 399 D C -0.039 176.248 176.300 -0.022 0.000 1.111 399 D CA 0.087 54.074 54.000 -0.022 0.000 0.941 399 D CB 1.908 42.724 40.800 0.027 0.000 1.169 399 D HN 0.384 nan 8.370 nan 0.000 0.441 400 T N -0.423 114.028 114.554 -0.171 0.000 2.778 400 T HA 0.621 4.973 4.350 0.004 0.000 0.293 400 T C -1.660 172.869 174.700 -0.285 0.000 1.144 400 T CA -0.554 61.466 62.100 -0.134 0.000 1.010 400 T CB 0.413 69.165 68.868 -0.193 0.000 1.325 400 T HN 0.137 nan 8.240 nan 0.000 0.515 401 F N 1.753 121.592 119.950 -0.185 0.000 2.520 401 F HA 0.584 5.113 4.527 0.004 0.000 0.322 401 F C 0.270 175.903 175.800 -0.278 0.000 1.103 401 F CA -0.703 57.249 58.000 -0.080 0.000 0.926 401 F CB 1.712 40.744 39.000 0.053 0.000 1.154 401 F HN 0.455 nan 8.300 nan 0.000 0.453 402 H N 2.130 121.347 119.070 0.245 0.000 2.572 402 H HA 0.237 4.795 4.556 0.004 0.000 0.359 402 H C -1.638 173.847 175.328 0.262 0.000 1.134 402 H CA -0.778 55.340 56.048 0.117 0.000 1.187 402 H CB 2.248 31.885 29.762 -0.208 0.000 1.597 402 H HN 0.659 nan 8.280 nan 0.000 0.524 403 Y N 3.623 124.058 120.300 0.225 0.000 2.555 403 Y HA 0.272 4.824 4.550 0.004 0.000 0.326 403 Y C -1.690 174.238 175.900 0.045 0.000 0.984 403 Y CA -0.720 57.446 58.100 0.109 0.000 1.298 403 Y CB 0.413 38.889 38.460 0.026 0.000 1.094 403 Y HN 0.565 nan 8.280 nan 0.000 0.500 404 Y N 5.994 126.108 120.300 -0.310 0.000 2.315 404 Y HA 0.301 4.853 4.550 0.004 0.000 0.324 404 Y C -0.217 175.329 175.900 -0.591 0.000 1.062 404 Y CA -1.124 56.695 58.100 -0.467 0.000 1.159 404 Y CB 0.800 39.074 38.460 -0.310 0.000 1.145 404 Y HN 0.667 nan 8.280 nan 0.000 0.442 405 D N 3.647 123.347 120.400 -1.166 0.000 2.697 405 D HA -0.175 4.467 4.640 0.004 0.000 0.238 405 D C -1.335 174.777 176.300 -0.314 0.000 1.152 405 D CA 1.593 55.197 54.000 -0.660 0.000 0.666 405 D CB -0.884 39.740 40.800 -0.293 0.000 1.037 405 D HN 0.838 nan 8.370 nan 0.000 0.423 406 A N 0.171 122.680 122.820 -0.518 0.000 2.556 406 A HA 0.592 4.914 4.320 0.004 0.000 0.294 406 A C 0.605 177.962 177.584 -0.379 0.000 1.091 406 A CA -0.384 51.425 52.037 -0.379 0.000 0.704 406 A CB 1.349 20.127 19.000 -0.370 0.000 1.300 406 A HN -0.005 nan 8.150 nan 0.000 0.406 407 D N 0.237 120.567 120.400 -0.116 0.000 2.249 407 D HA 0.100 4.743 4.640 0.004 0.000 0.205 407 D C -0.310 176.042 176.300 0.087 0.000 0.962 407 D CA 1.334 55.352 54.000 0.030 0.000 0.860 407 D CB 0.354 41.195 40.800 0.068 0.000 0.955 407 D HN 0.593 nan 8.370 nan 0.000 0.505 408 D N -0.578 119.861 120.400 0.065 0.000 2.570 408 D HA 0.268 4.910 4.640 0.004 0.000 0.244 408 D C -2.690 173.756 176.300 0.245 0.000 1.178 408 D CA -1.488 52.619 54.000 0.177 0.000 0.881 408 D CB 2.510 43.388 40.800 0.130 0.000 1.453 408 D HN -0.237 nan 8.370 nan 0.000 0.447 409 P HA 0.053 nan 4.420 nan 0.000 0.266 409 P C -0.597 176.979 177.300 0.461 0.000 1.195 409 P CA -0.113 63.243 63.100 0.427 0.000 0.768 409 P CB 0.620 32.501 31.700 0.302 0.000 0.838 410 V N 3.444 123.663 119.914 0.509 0.000 2.495 410 V HA 0.204 4.327 4.120 0.004 0.000 0.298 410 V C 0.207 176.446 176.094 0.242 0.000 1.031 410 V CA -0.661 61.870 62.300 0.384 0.000 0.871 410 V CB 1.284 33.331 31.823 0.373 0.000 0.988 410 V HN 0.630 nan 8.190 nan 0.000 0.432 411 H N 4.578 123.516 119.070 -0.220 0.000 2.690 411 H HA 0.285 4.843 4.556 0.004 0.000 0.314 411 H C -1.722 173.422 175.328 -0.307 0.000 1.069 411 H CA -0.059 55.544 56.048 -0.741 0.000 1.436 411 H CB 0.633 30.007 29.762 -0.648 0.000 1.462 411 H HN 0.587 nan 8.280 nan 0.000 0.511 412 Y N 6.643 126.457 120.300 -0.810 0.000 2.478 412 Y HA 0.235 4.787 4.550 0.004 0.000 0.329 412 Y C -2.038 173.486 175.900 -0.628 0.000 0.967 412 Y CA -2.700 55.115 58.100 -0.475 0.000 1.255 412 Y CB 1.345 39.627 38.460 -0.296 0.000 1.103 412 Y HN 0.615 nan 8.280 nan 0.000 0.497 413 P HA 0.165 nan 4.420 nan 0.000 0.276 413 P C -0.529 176.714 177.300 -0.096 0.000 1.230 413 P CA -0.308 62.650 63.100 -0.237 0.000 0.776 413 P CB 0.638 32.280 31.700 -0.097 0.000 0.888 414 R N 1.447 121.936 120.500 -0.019 0.000 3.251 414 R HA -0.233 4.109 4.340 0.004 0.000 0.249 414 R C 0.985 177.360 176.300 0.124 0.000 0.949 414 R CA 0.433 56.595 56.100 0.104 0.000 0.645 414 R CB -2.312 28.017 30.300 0.049 0.000 1.065 414 R HN 0.591 nan 8.270 nan 0.000 0.452 415 A N 0.006 122.873 122.820 0.078 0.000 1.968 415 A HA 0.070 4.392 4.320 0.004 0.000 0.217 415 A C 0.757 178.405 177.584 0.107 0.000 1.169 415 A CA 0.935 53.023 52.037 0.084 0.000 0.638 415 A CB 0.235 19.251 19.000 0.027 0.000 0.812 415 A HN 0.234 nan 8.150 nan 0.000 0.446 416 L N -1.898 119.388 121.223 0.105 0.000 2.309 416 L HA 0.600 4.942 4.340 0.004 0.000 0.261 416 L C -0.230 176.675 176.870 0.058 0.000 1.021 416 L CA -0.654 54.227 54.840 0.069 0.000 0.823 416 L CB 1.873 43.935 42.059 0.006 0.000 1.366 416 L HN 0.389 nan 8.230 nan 0.000 0.423 417 c N 0.559 119.147 118.600 -0.020 0.000 2.898 417 c HA 0.925 5.497 4.570 0.004 0.000 0.304 417 c C -1.124 172.888 174.090 -0.130 0.000 1.237 417 c CA -0.992 55.253 56.329 -0.139 0.000 1.529 417 c CB 1.379 43.696 42.510 -0.322 0.000 2.021 417 c HN 0.796 nan 8.230 nan 0.000 0.474 418 L N 3.128 124.255 121.223 -0.160 0.000 2.410 418 L HA 0.980 5.322 4.340 0.004 0.000 0.270 418 L C -0.845 175.931 176.870 -0.158 0.000 0.983 418 L CA -0.356 54.290 54.840 -0.323 0.000 0.822 418 L CB 1.554 43.332 42.059 -0.469 0.000 1.285 418 L HN 0.978 nan 8.230 nan 0.000 0.409 419 F N 1.371 121.092 119.950 -0.383 0.000 2.678 419 F HA 0.609 5.138 4.527 0.003 0.000 0.308 419 F C -1.017 174.701 175.800 -0.137 0.000 1.118 419 F CA -0.887 57.032 58.000 -0.135 0.000 0.959 419 F CB 1.209 40.140 39.000 -0.116 0.000 1.305 419 F HN 0.560 nan 8.300 nan 0.000 0.443 420 E N 3.747 124.088 120.200 0.235 0.000 2.216 420 E HA 0.654 5.006 4.350 0.004 0.000 0.279 420 E C -1.123 175.616 176.600 0.232 0.000 0.997 420 E CA -1.010 55.454 56.400 0.107 0.000 0.817 420 E CB 1.470 31.295 29.700 0.209 0.000 1.096 420 E HN 0.788 nan 8.360 nan 0.000 0.393 421 M N 2.204 121.895 119.600 0.152 0.000 2.484 421 M HA 0.593 5.076 4.480 0.004 0.000 0.289 421 M C -2.784 173.584 176.300 0.114 0.000 1.206 421 M CA -2.437 52.974 55.300 0.184 0.000 0.892 421 M CB 2.372 35.137 32.600 0.276 0.000 1.712 421 M HN 0.065 nan 8.290 nan 0.000 0.462 422 P HA 0.173 nan 4.420 nan 0.000 0.271 422 P C 0.608 177.954 177.300 0.076 0.000 1.220 422 P CA -0.168 62.989 63.100 0.095 0.000 0.768 422 P CB 0.827 32.581 31.700 0.089 0.000 0.848 423 T N -0.609 113.989 114.554 0.075 0.000 3.055 423 T HA 0.126 4.478 4.350 0.004 0.000 0.265 423 T C 1.499 176.237 174.700 0.064 0.000 1.111 423 T CA 0.800 62.940 62.100 0.066 0.000 1.118 423 T CB -0.955 67.969 68.868 0.093 0.000 0.909 423 T HN 0.618 nan 8.240 nan 0.000 0.501 424 G N 0.211 109.050 108.800 0.066 0.000 2.205 424 G HA2 -0.209 3.753 3.960 0.004 0.000 0.261 424 G HA3 -0.209 3.753 3.960 0.004 0.000 0.261 424 G C 0.119 175.054 174.900 0.058 0.000 0.980 424 G CA 0.141 45.274 45.100 0.055 0.000 0.632 424 G HN 1.090 nan 8.290 nan 0.000 0.533 425 V N 2.291 122.249 119.914 0.074 0.000 2.638 425 V HA 0.743 4.865 4.120 0.004 0.000 0.306 425 V C -2.106 174.045 176.094 0.096 0.000 1.052 425 V CA -1.838 60.508 62.300 0.076 0.000 0.885 425 V CB 2.334 34.197 31.823 0.067 0.000 0.999 425 V HN 0.120 nan 8.190 nan 0.000 0.424 426 P HA 0.112 nan 4.420 nan 0.000 0.269 426 P C 0.819 178.182 177.300 0.104 0.000 1.209 426 P CA -0.006 63.161 63.100 0.110 0.000 0.776 426 P CB 1.186 32.959 31.700 0.123 0.000 0.876 427 L N 1.785 123.074 121.223 0.111 0.000 2.056 427 L HA -0.076 4.266 4.340 0.004 0.000 0.207 427 L C 1.110 178.020 176.870 0.066 0.000 1.078 427 L CA 1.454 56.356 54.840 0.104 0.000 0.749 427 L CB -0.044 42.086 42.059 0.119 0.000 0.901 427 L HN 0.525 nan 8.230 nan 0.000 0.433 428 R N -0.704 119.831 120.500 0.060 0.000 2.643 428 R HA 0.633 4.975 4.340 0.004 0.000 0.269 428 R C -1.338 174.987 176.300 0.041 0.000 1.037 428 R CA -1.017 55.108 56.100 0.042 0.000 0.894 428 R CB 1.359 31.671 30.300 0.019 0.000 1.238 428 R HN 0.063 nan 8.270 nan 0.000 0.459 429 R N 0.285 120.813 120.500 0.047 0.000 2.663 429 R HA 0.569 4.911 4.340 0.004 0.000 0.267 429 R C -1.894 174.452 176.300 0.076 0.000 1.038 429 R CA -1.059 55.047 56.100 0.011 0.000 0.886 429 R CB 1.319 31.682 30.300 0.105 0.000 1.249 429 R HN 0.856 nan 8.270 nan 0.000 0.463 430 H N 1.203 120.177 119.070 -0.159 0.000 3.026 430 H HA 0.442 5.000 4.556 0.004 0.000 0.352 430 H C -2.142 173.140 175.328 -0.078 0.000 1.090 430 H CA -1.036 54.968 56.048 -0.072 0.000 1.268 430 H CB 1.212 30.937 29.762 -0.062 0.000 1.816 430 H HN 0.613 nan 8.280 nan 0.000 0.518 431 F N 5.566 125.120 119.950 -0.661 0.000 2.334 431 F HA 0.327 4.855 4.527 0.002 0.000 0.367 431 F C -0.203 175.023 175.800 -0.957 0.000 1.115 431 F CA -0.462 57.232 58.000 -0.510 0.000 1.116 431 F CB 0.456 39.339 39.000 -0.194 0.000 1.230 431 F HN 0.585 nan 8.300 nan 0.000 0.484 432 N N 5.164 123.081 118.700 -1.306 0.000 2.602 432 N HA 0.000 4.743 4.740 0.004 0.000 0.238 432 N C -0.378 174.594 175.510 -0.897 0.000 1.084 432 N CA -0.035 52.409 53.050 -1.011 0.000 0.952 432 N CB 0.616 38.306 38.487 -1.328 0.000 1.244 432 N HN 0.593 nan 8.380 nan 0.000 0.512 433 S N 1.941 117.207 115.700 -0.722 0.000 2.579 433 S HA 0.009 4.481 4.470 0.004 0.000 0.275 433 S C 1.318 175.346 174.600 -0.953 0.000 1.345 433 S CA -0.465 57.321 58.200 -0.690 0.000 1.031 433 S CB 0.455 63.400 63.200 -0.425 0.000 0.892 433 S HN 0.756 nan 8.310 nan 0.000 0.529 434 N N 2.633 120.976 118.700 -0.596 0.000 2.280 434 N HA 0.065 4.807 4.740 0.004 0.000 0.192 434 N C 0.195 175.536 175.510 -0.281 0.000 1.109 434 N CA 0.021 52.811 53.050 -0.433 0.000 0.855 434 N CB -0.946 37.457 38.487 -0.140 0.000 0.974 434 N HN 0.703 nan 8.380 nan 0.000 0.482 435 F N -1.889 118.101 119.950 0.066 0.000 3.069 435 F HA -0.268 4.260 4.527 0.002 0.000 0.285 435 F C 1.063 176.895 175.800 0.052 0.000 0.827 435 F CA 0.913 58.949 58.000 0.059 0.000 1.108 435 F CB -2.087 36.938 39.000 0.042 0.000 1.252 435 F HN 0.467 nan 8.300 nan 0.000 0.483 436 K N -0.364 120.114 120.400 0.130 0.000 2.860 436 K HA 0.612 4.934 4.320 0.004 0.000 0.204 436 K C 1.013 177.661 176.600 0.080 0.000 1.127 436 K CA 0.473 56.822 56.287 0.103 0.000 1.050 436 K CB 0.375 32.926 32.500 0.086 0.000 0.745 436 K HN 1.312 nan 8.250 nan 0.000 0.459 437 G N -1.208 107.643 108.800 0.085 0.000 2.159 437 G HA2 0.004 3.967 3.960 0.004 0.000 0.256 437 G HA3 0.004 3.967 3.960 0.004 0.000 0.256 437 G C 0.714 175.666 174.900 0.087 0.000 0.977 437 G CA 0.552 45.696 45.100 0.073 0.000 0.652 437 G HN 1.664 nan 8.290 nan 0.000 0.531 438 G N -0.826 108.038 108.800 0.106 0.000 2.976 438 G HA2 0.952 4.915 3.960 0.004 0.000 0.276 438 G HA3 0.952 4.915 3.960 0.004 0.000 0.276 438 G C -0.654 174.364 174.900 0.197 0.000 1.207 438 G CA -0.313 44.891 45.100 0.173 0.000 0.803 438 G HN 1.428 nan 8.290 nan 0.000 0.572 439 F N -1.627 118.225 119.950 -0.164 0.000 2.686 439 F HA 0.599 5.127 4.527 0.002 0.000 0.311 439 F C -0.012 175.629 175.800 -0.264 0.000 1.128 439 F CA -1.312 56.445 58.000 -0.406 0.000 0.946 439 F CB 1.509 40.060 39.000 -0.748 0.000 1.336 439 F HN 0.266 nan 8.300 nan 0.000 0.457 440 N N 0.873 119.260 118.700 -0.522 0.000 2.432 440 N HA 0.183 4.925 4.740 0.004 0.000 0.174 440 N C -0.700 174.550 175.510 -0.434 0.000 1.037 440 N CA 1.079 53.905 53.050 -0.373 0.000 0.892 440 N CB 0.600 39.008 38.487 -0.132 0.000 1.049 440 N HN 0.671 nan 8.380 nan 0.000 0.442 441 F N -2.005 117.479 119.950 -0.776 0.000 2.769 441 F HA 0.410 4.940 4.527 0.005 0.000 0.313 441 F C -1.791 173.846 175.800 -0.271 0.000 1.146 441 F CA -1.718 55.802 58.000 -0.801 0.000 0.934 441 F CB 0.693 39.081 39.000 -1.020 0.000 1.283 441 F HN -0.188 nan 8.300 nan 0.000 0.443 442 Y N 2.032 122.374 120.300 0.070 0.000 2.377 442 Y HA 0.867 5.419 4.550 0.003 0.000 0.339 442 Y C -1.147 174.848 175.900 0.158 0.000 1.011 442 Y CA -0.830 57.324 58.100 0.090 0.000 1.093 442 Y CB 1.729 40.301 38.460 0.187 0.000 1.201 442 Y HN 1.095 nan 8.280 nan 0.000 0.455 443 A N 3.764 126.202 122.820 -0.636 0.000 2.393 443 A HA 0.893 5.215 4.320 0.004 0.000 0.306 443 A C -0.769 176.388 177.584 -0.713 0.000 1.050 443 A CA -0.151 51.624 52.037 -0.437 0.000 0.724 443 A CB 1.214 20.180 19.000 -0.057 0.000 1.248 443 A HN 1.290 nan 8.150 nan 0.000 0.424 444 G N -0.141 108.473 108.800 -0.310 0.000 2.720 444 G HA2 0.625 4.587 3.960 0.004 0.000 0.295 444 G HA3 0.625 4.587 3.960 0.004 0.000 0.295 444 G C -2.166 172.773 174.900 0.065 0.000 1.437 444 G CA -0.487 44.562 45.100 -0.085 0.000 0.886 444 G HN 1.430 nan 8.290 nan 0.000 0.509 445 L N 0.877 122.146 121.223 0.077 0.000 2.372 445 L HA 0.629 4.971 4.340 0.004 0.000 0.274 445 L C 0.304 177.243 176.870 0.115 0.000 0.988 445 L CA -1.103 53.792 54.840 0.093 0.000 0.833 445 L CB 1.529 43.625 42.059 0.063 0.000 1.236 445 L HN 0.598 nan 8.230 nan 0.000 0.410 446 K N 3.374 123.850 120.400 0.126 0.000 2.489 446 K HA 0.330 4.652 4.320 0.004 0.000 0.278 446 K C 0.210 176.888 176.600 0.130 0.000 1.000 446 K CA 0.403 56.766 56.287 0.127 0.000 1.012 446 K CB 0.414 32.988 32.500 0.123 0.000 0.903 446 K HN 0.943 nan 8.250 nan 0.000 0.485 447 G N 4.049 112.926 108.800 0.129 0.000 2.358 447 G HA2 0.135 4.097 3.960 0.004 0.000 0.273 447 G HA3 0.135 4.097 3.960 0.004 0.000 0.273 447 G C -0.776 174.209 174.900 0.141 0.000 1.215 447 G CA -0.406 44.781 45.100 0.143 0.000 0.910 447 G HN 0.560 nan 8.290 nan 0.000 0.467 448 Q N 0.412 120.312 119.800 0.166 0.000 2.451 448 Q HA 0.678 5.020 4.340 0.004 0.000 0.281 448 Q C -1.198 174.882 176.000 0.133 0.000 1.099 448 Q CA -0.850 55.050 55.803 0.162 0.000 0.806 448 Q CB 2.976 31.849 28.738 0.224 0.000 1.419 448 Q HN 0.402 nan 8.270 nan 0.000 0.427 449 V N 1.523 121.452 119.914 0.024 0.000 3.012 449 V HA 0.447 4.570 4.120 0.004 0.000 0.307 449 V C -1.608 174.338 176.094 -0.248 0.000 1.166 449 V CA -0.798 61.415 62.300 -0.146 0.000 0.974 449 V CB 2.686 34.219 31.823 -0.482 0.000 1.040 449 V HN 0.677 nan 8.190 nan 0.000 0.428 450 L N 5.902 126.892 121.223 -0.389 0.000 2.289 450 L HA 0.775 5.117 4.340 0.004 0.000 0.285 450 L C -0.853 175.690 176.870 -0.546 0.000 1.049 450 L CA 0.259 54.715 54.840 -0.641 0.000 0.804 450 L CB 1.619 43.099 42.059 -0.965 0.000 1.195 450 L HN 0.453 nan 8.230 nan 0.000 0.428 451 V N 6.129 125.563 119.914 -0.801 0.000 2.483 451 V HA 0.420 4.542 4.120 0.004 0.000 0.297 451 V C -0.675 174.999 176.094 -0.699 0.000 1.027 451 V CA -0.616 61.193 62.300 -0.818 0.000 0.855 451 V CB 1.576 32.630 31.823 -1.282 0.000 0.995 451 V HN 0.663 nan 8.190 nan 0.000 0.424 452 L N 5.975 126.990 121.223 -0.346 0.000 2.287 452 L HA 0.740 5.082 4.340 0.004 0.000 0.287 452 L C -0.270 176.519 176.870 -0.135 0.000 1.022 452 L CA 0.072 54.773 54.840 -0.231 0.000 0.814 452 L CB 1.059 43.063 42.059 -0.092 0.000 1.217 452 L HN 0.775 nan 8.230 nan 0.000 0.420 453 R N 3.017 123.465 120.500 -0.086 0.000 2.673 453 R HA 0.724 5.066 4.340 0.004 0.000 0.281 453 R C -1.212 175.126 176.300 0.063 0.000 0.991 453 R CA -0.347 55.764 56.100 0.018 0.000 0.896 453 R CB 2.006 32.363 30.300 0.094 0.000 1.201 453 R HN 0.740 nan 8.270 nan 0.000 0.457 454 T N 0.372 115.006 114.554 0.134 0.000 2.716 454 T HA 0.617 4.969 4.350 0.004 0.000 0.286 454 T C -1.147 173.708 174.700 0.259 0.000 1.052 454 T CA -0.266 61.936 62.100 0.170 0.000 1.024 454 T CB 1.601 70.553 68.868 0.140 0.000 1.349 454 T HN 0.770 nan 8.240 nan 0.000 0.525 455 T N -0.677 114.036 114.554 0.264 0.000 2.865 455 T HA 0.770 5.122 4.350 0.004 0.000 0.294 455 T C -1.061 173.842 174.700 0.338 0.000 1.119 455 T CA -0.666 61.605 62.100 0.285 0.000 1.007 455 T CB 1.402 70.376 68.868 0.176 0.000 1.225 455 T HN 0.923 nan 8.240 nan 0.000 0.515 456 S N 0.043 115.969 115.700 0.377 0.000 2.733 456 S HA 0.583 5.056 4.470 0.004 0.000 0.294 456 S C -0.883 173.897 174.600 0.299 0.000 1.149 456 S CA -0.763 57.641 58.200 0.339 0.000 1.034 456 S CB 1.260 64.729 63.200 0.448 0.000 1.015 456 S HN 0.812 nan 8.310 nan 0.000 0.486 457 T N 3.412 118.097 114.554 0.219 0.000 3.155 457 T HA 0.508 4.860 4.350 0.004 0.000 0.384 457 T C 1.516 176.322 174.700 0.175 0.000 1.351 457 T CA -0.172 62.032 62.100 0.173 0.000 1.198 457 T CB 0.741 69.711 68.868 0.171 0.000 1.106 457 T HN 0.881 nan 8.240 nan 0.000 0.564 458 V N 1.861 121.854 119.914 0.132 0.000 2.453 458 V HA 0.063 4.185 4.120 0.004 0.000 0.247 458 V C 1.258 177.450 176.094 0.162 0.000 1.048 458 V CA 1.643 64.005 62.300 0.103 0.000 1.049 458 V CB -0.352 31.452 31.823 -0.031 0.000 0.672 458 V HN 0.797 nan 8.190 nan 0.000 0.457 459 Y N -0.450 119.791 120.300 -0.099 0.000 2.588 459 Y HA 0.188 4.741 4.550 0.004 0.000 0.100 459 Y C 0.640 176.387 175.900 -0.254 0.000 0.966 459 Y CA -0.022 58.038 58.100 -0.066 0.000 1.835 459 Y CB -0.021 38.343 38.460 -0.160 0.000 1.158 459 Y HN 0.396 nan 8.280 nan 0.000 0.196 463 Y N 1.327 121.551 120.300 -0.126 0.000 2.304 463 Y HA 0.519 5.071 4.550 0.004 0.000 0.328 463 Y C 0.613 176.261 175.900 -0.420 0.000 1.123 463 Y CA -0.422 57.453 58.100 -0.374 0.000 1.218 463 Y CB 0.937 39.065 38.460 -0.553 0.000 1.207 463 Y HN 0.262 nan 8.280 nan 0.000 0.495 464 I N 3.238 123.638 120.570 -0.285 0.000 2.362 464 I HA 0.210 4.382 4.170 0.004 0.000 0.289 464 I C -1.225 174.744 176.117 -0.246 0.000 0.994 464 I CA -0.670 60.540 61.300 -0.150 0.000 1.158 464 I CB 0.913 38.894 38.000 -0.032 0.000 1.315 464 I HN 0.539 nan 8.210 nan 0.000 0.451 465 W N 5.216 126.540 121.300 0.039 0.000 2.361 465 W HA 0.415 5.077 4.660 0.004 0.000 0.314 465 W C -0.600 175.794 176.519 -0.208 0.000 1.041 465 W CA -0.489 56.789 57.345 -0.111 0.000 1.241 465 W CB 1.237 30.606 29.460 -0.153 0.000 1.279 465 W HN 0.308 nan 8.180 nan 0.000 0.436 466 D N 2.415 122.740 120.400 -0.124 0.000 2.350 466 D HA 0.464 5.106 4.640 0.004 0.000 0.245 466 D C -1.135 174.809 176.300 -0.594 0.000 1.036 466 D CA -0.623 53.230 54.000 -0.246 0.000 0.848 466 D CB 1.678 42.395 40.800 -0.137 0.000 1.307 466 D HN 0.077 nan 8.370 nan 0.000 0.469 467 F N 1.090 120.886 119.950 -0.257 0.000 2.493 467 F HA 0.517 5.046 4.527 0.003 0.000 0.329 467 F C 0.129 175.515 175.800 -0.691 0.000 1.126 467 F CA -0.850 56.846 58.000 -0.507 0.000 0.937 467 F CB 1.493 40.226 39.000 -0.445 0.000 1.146 467 F HN -0.000 nan 8.300 nan 0.000 0.442 468 I N 3.683 123.801 120.570 -0.753 0.000 2.509 468 I HA 0.429 4.601 4.170 0.004 0.000 0.293 468 I C -1.268 174.244 176.117 -1.007 0.000 1.020 468 I CA -0.678 60.198 61.300 -0.706 0.000 1.088 468 I CB 1.889 39.597 38.000 -0.488 0.000 1.267 468 I HN 0.361 nan 8.210 nan 0.000 0.430 469 F N 5.050 124.690 119.950 -0.516 0.000 2.499 469 F HA 0.487 5.016 4.527 0.004 0.000 0.333 469 F C -0.585 175.184 175.800 -0.051 0.000 1.138 469 F CA -0.667 57.020 58.000 -0.520 0.000 0.945 469 F CB 1.073 39.420 39.000 -1.089 0.000 1.181 469 F HN 0.206 nan 8.300 nan 0.000 0.435 470 Y N 3.144 123.692 120.300 0.414 0.000 2.352 470 Y HA 0.350 4.902 4.550 0.004 0.000 0.326 470 Y C -1.614 174.706 175.900 0.700 0.000 1.166 470 Y CA -2.229 56.142 58.100 0.452 0.000 1.182 470 Y CB 0.871 39.489 38.460 0.263 0.000 1.216 470 Y HN 0.364 nan 8.280 nan 0.000 0.474 471 P HA -0.120 nan 4.420 nan 0.000 0.226 471 P C 0.366 177.851 177.300 0.307 0.000 1.153 471 P CA 1.272 64.636 63.100 0.440 0.000 0.777 471 P CB 0.186 32.028 31.700 0.236 0.000 0.794 472 N N -0.832 117.988 118.700 0.200 0.000 2.322 472 N HA 0.103 4.845 4.740 0.004 0.000 0.216 472 N C 1.085 176.364 175.510 -0.384 0.000 1.144 472 N CA 0.369 53.367 53.050 -0.088 0.000 0.830 472 N CB -0.945 37.517 38.487 -0.042 0.000 1.034 472 N HN 0.110 nan 8.380 nan 0.000 0.484 473 G N -0.859 107.644 108.800 -0.496 0.000 2.159 473 G HA2 -0.259 3.703 3.960 0.004 0.000 0.256 473 G HA3 -0.259 3.703 3.960 0.004 0.000 0.256 473 G C -0.334 174.665 174.900 0.165 0.000 0.977 473 G CA 0.253 44.808 45.100 -0.908 0.000 0.652 473 G HN 0.310 nan 8.290 nan 0.000 0.531 474 V N 1.785 121.916 119.914 0.362 0.000 2.530 474 V HA 0.652 4.774 4.120 0.004 0.000 0.282 474 V C 0.695 177.128 176.094 0.564 0.000 1.048 474 V CA 0.169 62.673 62.300 0.340 0.000 0.997 474 V CB 1.661 33.451 31.823 -0.056 0.000 0.987 474 V HN 0.483 nan 8.190 nan 0.000 0.477 475 M N 4.365 124.166 119.600 0.336 0.000 2.578 475 M HA 0.639 5.121 4.480 0.004 0.000 0.321 475 M C -0.696 175.521 176.300 -0.139 0.000 1.182 475 M CA -0.446 54.808 55.300 -0.078 0.000 0.965 475 M CB 2.033 34.505 32.600 -0.214 0.000 1.694 475 M HN 0.832 nan 8.290 nan 0.000 0.461 476 E N 2.345 122.343 120.200 -0.336 0.000 2.308 476 E HA 0.693 5.045 4.350 0.004 0.000 0.275 476 E C -2.143 174.138 176.600 -0.532 0.000 0.890 476 E CA -0.759 55.430 56.400 -0.352 0.000 0.754 476 E CB 2.179 31.808 29.700 -0.118 0.000 1.207 476 E HN 0.804 nan 8.360 nan 0.000 0.426 477 A N 4.186 126.512 122.820 -0.824 0.000 2.324 477 A HA 0.711 5.033 4.320 0.004 0.000 0.330 477 A C -0.897 176.304 177.584 -0.639 0.000 1.165 477 A CA -0.593 50.937 52.037 -0.845 0.000 0.813 477 A CB 1.272 19.464 19.000 -1.347 0.000 1.197 477 A HN 0.530 nan 8.150 nan 0.000 0.484 478 K N 1.767 121.898 120.400 -0.450 0.000 2.525 478 K HA 0.473 4.796 4.320 0.004 0.000 0.254 478 K C -1.650 174.806 176.600 -0.239 0.000 0.934 478 K CA -0.584 55.509 56.287 -0.323 0.000 0.802 478 K CB 1.750 34.028 32.500 -0.369 0.000 1.295 478 K HN 0.754 nan 8.250 nan 0.000 0.433 479 M N 4.541 124.005 119.600 -0.227 0.000 2.383 479 M HA 0.371 4.853 4.480 0.004 0.000 0.325 479 M C -1.543 174.499 176.300 -0.430 0.000 1.092 479 M CA -0.316 54.775 55.300 -0.348 0.000 0.961 479 M CB 1.207 33.616 32.600 -0.319 0.000 1.672 479 M HN 0.757 nan 8.290 nan 0.000 0.438 480 H N 2.514 121.438 119.070 -0.243 0.000 2.524 480 H HA 0.698 5.256 4.556 0.003 0.000 0.353 480 H C -0.854 174.343 175.328 -0.219 0.000 1.136 480 H CA -0.877 55.061 56.048 -0.183 0.000 1.193 480 H CB 1.730 31.398 29.762 -0.156 0.000 1.558 480 H HN 0.794 nan 8.280 nan 0.000 0.515 481 A N 2.124 124.901 122.820 -0.071 0.000 2.304 481 A HA 0.553 4.875 4.320 0.004 0.000 0.323 481 A C 0.205 177.711 177.584 -0.131 0.000 1.195 481 A CA -0.407 51.525 52.037 -0.174 0.000 0.826 481 A CB 1.519 20.399 19.000 -0.200 0.000 1.184 481 A HN 0.705 nan 8.150 nan 0.000 0.496 482 T N 0.552 115.013 114.554 -0.155 0.000 2.618 482 T HA 0.765 5.117 4.350 0.004 0.000 0.293 482 T C 0.336 174.948 174.700 -0.145 0.000 1.093 482 T CA 1.108 63.133 62.100 -0.125 0.000 1.061 482 T CB 0.720 69.525 68.868 -0.105 0.000 1.498 482 T HN 2.716 nan 8.240 nan 0.000 0.494 483 G N 0.096 108.801 108.800 -0.158 0.000 2.615 483 G HA2 -0.111 3.852 3.960 0.004 0.000 0.218 483 G HA3 -0.111 3.852 3.960 0.004 0.000 0.218 483 G C -1.381 173.344 174.900 -0.291 0.000 1.339 483 G CA -0.111 44.862 45.100 -0.211 0.000 0.884 483 G HN 0.844 nan 8.290 nan 0.000 0.559 484 Y N 0.116 120.275 120.300 -0.234 0.000 2.308 484 Y HA 0.468 5.020 4.550 0.004 0.000 0.329 484 Y C 1.368 177.165 175.900 -0.171 0.000 1.111 484 Y CA -0.002 57.962 58.100 -0.227 0.000 1.179 484 Y CB 1.491 39.699 38.460 -0.420 0.000 1.201 484 Y HN 0.804 nan 8.280 nan 0.000 0.483 485 V N 0.143 120.123 119.914 0.110 0.000 3.096 485 V HA 0.113 4.236 4.120 0.004 0.000 0.306 485 V C -0.122 176.045 176.094 0.122 0.000 1.088 485 V CA -0.717 61.657 62.300 0.124 0.000 1.129 485 V CB 0.578 32.479 31.823 0.129 0.000 1.014 485 V HN 0.813 nan 8.190 nan 0.000 0.486 486 H N 2.712 121.780 119.070 -0.004 0.000 2.800 486 H HA 0.692 5.250 4.556 0.004 0.000 0.291 486 H C 0.054 175.370 175.328 -0.020 0.000 1.076 486 H CA 0.701 56.720 56.048 -0.049 0.000 1.452 486 H CB 0.364 29.972 29.762 -0.258 0.000 1.461 486 H HN 1.255 nan 8.280 nan 0.000 0.488 487 A N 4.041 126.717 122.820 -0.240 0.000 2.498 487 A HA 0.672 4.995 4.320 0.004 0.000 0.298 487 A C -0.437 177.071 177.584 -0.128 0.000 1.075 487 A CA -0.206 51.766 52.037 -0.108 0.000 0.714 487 A CB 1.231 20.255 19.000 0.040 0.000 1.299 487 A HN 0.806 nan 8.150 nan 0.000 0.407 488 T N -1.816 112.729 114.554 -0.016 0.000 2.888 488 T HA 0.671 5.024 4.350 0.004 0.000 0.288 488 T C -0.440 174.403 174.700 0.238 0.000 1.063 488 T CA -0.571 61.556 62.100 0.046 0.000 1.010 488 T CB 0.827 69.634 68.868 -0.101 0.000 1.214 488 T HN 0.845 nan 8.240 nan 0.000 0.533 489 F N 2.185 122.221 119.950 0.143 0.000 2.538 489 F HA 0.359 4.888 4.527 0.004 0.000 0.371 489 F C 0.126 176.149 175.800 0.371 0.000 1.087 489 F CA -1.305 56.847 58.000 0.254 0.000 1.250 489 F CB 0.153 39.310 39.000 0.262 0.000 1.110 489 F HN 0.682 nan 8.300 nan 0.000 0.570 490 Y N 6.310 126.370 120.300 -0.400 0.000 2.544 490 Y HA 0.360 4.912 4.550 0.004 0.000 0.330 490 Y C 0.126 175.843 175.900 -0.304 0.000 1.136 490 Y CA 0.298 58.211 58.100 -0.310 0.000 1.417 490 Y CB 0.250 38.510 38.460 -0.332 0.000 1.229 490 Y HN 0.739 nan 8.280 nan 0.000 0.532 491 T N 3.356 117.361 114.554 -0.916 0.000 2.883 491 T HA 0.407 4.759 4.350 0.004 0.000 0.296 491 T C -2.384 171.621 174.700 -1.159 0.000 1.117 491 T CA -2.192 59.352 62.100 -0.926 0.000 1.006 491 T CB 2.007 70.773 68.868 -0.170 0.000 1.191 491 T HN 0.296 nan 8.240 nan 0.000 0.508 492 P HA -0.058 nan 4.420 nan 0.000 0.216 492 P C 1.065 178.232 177.300 -0.222 0.000 1.150 492 P CA 1.121 64.024 63.100 -0.328 0.000 0.843 492 P CB 0.049 31.673 31.700 -0.128 0.000 0.787 493 E N -0.901 119.191 120.200 -0.179 0.000 2.265 493 E HA -0.080 4.272 4.350 0.004 0.000 0.196 493 E C 2.175 178.701 176.600 -0.124 0.000 0.996 493 E CA 1.247 57.608 56.400 -0.065 0.000 0.832 493 E CB -1.274 28.465 29.700 0.064 0.000 0.756 493 E HN 0.241 nan 8.360 nan 0.000 0.491 494 G N 0.404 108.880 108.800 -0.541 0.000 2.470 494 G HA2 -0.215 3.747 3.960 0.004 0.000 0.220 494 G HA3 -0.215 3.747 3.960 0.004 0.000 0.220 494 G C 1.331 176.095 174.900 -0.228 0.000 1.121 494 G CA 0.338 44.918 45.100 -0.866 0.000 0.766 494 G HN 0.221 nan 8.290 nan 0.000 0.553 495 L N -0.339 120.800 121.223 -0.140 0.000 2.362 495 L HA 0.026 4.368 4.340 0.004 0.000 0.219 495 L C 2.804 179.631 176.870 -0.071 0.000 1.134 495 L CA 0.481 55.293 54.840 -0.047 0.000 0.807 495 L CB -0.222 41.831 42.059 -0.009 0.000 0.927 495 L HN 0.184 nan 8.230 nan 0.000 0.447 496 R N -0.942 119.484 120.500 -0.123 0.000 2.307 496 R HA 0.004 4.346 4.340 0.004 0.000 0.199 496 R C 0.577 176.569 176.300 -0.514 0.000 1.000 496 R CA 0.531 56.451 56.100 -0.301 0.000 1.023 496 R CB 0.065 30.136 30.300 -0.381 0.000 0.908 496 R HN 0.497 nan 8.270 nan 0.000 0.473 497 H N -1.188 117.889 119.070 0.011 0.000 2.865 497 H HA 0.343 4.901 4.556 0.004 0.000 0.247 497 H C 0.566 175.932 175.328 0.064 0.000 1.181 497 H CA 0.396 56.473 56.048 0.048 0.000 0.975 497 H CB 1.456 31.271 29.762 0.089 0.000 1.899 497 H HN 0.308 nan 8.280 nan 0.000 0.651 498 G N 0.174 109.037 108.800 0.105 0.000 2.351 498 G HA2 0.120 4.082 3.960 0.004 0.000 0.279 498 G HA3 0.120 4.082 3.960 0.004 0.000 0.279 498 G C -1.426 173.510 174.900 0.060 0.000 1.297 498 G CA -0.677 44.481 45.100 0.097 0.000 0.886 498 G HN 0.022 nan 8.290 nan 0.000 0.493 499 T N 0.352 114.946 114.554 0.066 0.000 2.886 499 T HA 0.575 4.928 4.350 0.004 0.000 0.292 499 T C 0.005 174.726 174.700 0.035 0.000 1.012 499 T CA -0.625 61.504 62.100 0.048 0.000 0.982 499 T CB 2.005 70.911 68.868 0.062 0.000 1.018 499 T HN 0.662 nan 8.240 nan 0.000 0.451 500 R N 2.916 123.414 120.500 -0.002 0.000 2.370 500 R HA 0.257 4.599 4.340 0.004 0.000 0.309 500 R C 0.346 176.585 176.300 -0.101 0.000 1.059 500 R CA 0.019 56.067 56.100 -0.088 0.000 0.981 500 R CB 0.031 30.177 30.300 -0.258 0.000 0.972 500 R HN 0.650 nan 8.270 nan 0.000 0.437 501 L N 2.883 124.055 121.223 -0.085 0.000 2.642 501 L HA 0.282 4.624 4.340 0.004 0.000 0.233 501 L C 0.975 177.784 176.870 -0.102 0.000 1.077 501 L CA -0.127 54.676 54.840 -0.061 0.000 0.879 501 L CB 0.111 42.171 42.059 0.002 0.000 1.151 501 L HN 0.651 nan 8.230 nan 0.000 0.495 502 H N -1.488 117.394 119.070 -0.313 0.000 2.905 502 H HA 0.153 4.711 4.556 0.004 0.000 0.280 502 H C 0.220 175.268 175.328 -0.466 0.000 1.445 502 H CA -0.030 55.736 56.048 -0.471 0.000 1.165 502 H CB 1.739 31.018 29.762 -0.806 0.000 1.857 502 H HN -0.273 nan 8.280 nan 0.000 0.567 503 T N -0.017 114.212 114.554 -0.541 0.000 2.635 503 T HA -0.147 4.205 4.350 0.004 0.000 0.267 503 T C 0.913 175.246 174.700 -0.611 0.000 1.040 503 T CA 1.481 63.217 62.100 -0.607 0.000 1.156 503 T CB -0.268 68.214 68.868 -0.643 0.000 0.863 503 T HN 0.459 nan 8.240 nan 0.000 0.430 504 H N -0.548 118.457 119.070 -0.109 0.000 2.486 504 H HA 0.487 5.046 4.556 0.004 0.000 0.284 504 H C -0.540 174.729 175.328 -0.097 0.000 1.103 504 H CA -0.427 55.538 56.048 -0.139 0.000 1.089 504 H CB 0.139 29.941 29.762 0.066 0.000 1.603 504 H HN 0.171 nan 8.280 nan 0.000 0.557 505 L N 1.718 122.946 121.223 0.007 0.000 2.356 505 L HA 0.420 4.762 4.340 0.004 0.000 0.277 505 L C -1.012 175.898 176.870 0.068 0.000 0.996 505 L CA -0.598 54.282 54.840 0.067 0.000 0.822 505 L CB 1.724 43.807 42.059 0.040 0.000 1.256 505 L HN -0.043 nan 8.230 nan 0.000 0.413 506 I N 3.955 124.603 120.570 0.130 0.000 2.378 506 I HA 0.395 4.568 4.170 0.004 0.000 0.291 506 I C 0.546 176.727 176.117 0.107 0.000 0.992 506 I CA -0.404 60.973 61.300 0.129 0.000 1.154 506 I CB 1.684 39.789 38.000 0.175 0.000 1.315 506 I HN 0.755 nan 8.210 nan 0.000 0.448 507 G N 5.650 114.502 108.800 0.087 0.000 2.391 507 G HA2 0.226 4.188 3.960 0.004 0.000 0.305 507 G HA3 0.226 4.188 3.960 0.004 0.000 0.305 507 G C -0.018 174.956 174.900 0.122 0.000 1.072 507 G CA -0.422 44.729 45.100 0.086 0.000 1.016 507 G HN 0.616 nan 8.290 nan 0.000 0.418 508 N N 1.165 119.963 118.700 0.164 0.000 2.492 508 N HA 0.059 4.801 4.740 0.004 0.000 0.262 508 N C 0.537 176.235 175.510 0.314 0.000 1.202 508 N CA -0.267 52.933 53.050 0.250 0.000 0.926 508 N CB 1.486 40.154 38.487 0.302 0.000 1.078 508 N HN 0.554 nan 8.380 nan 0.000 0.454 509 I N 3.335 124.039 120.570 0.223 0.000 2.752 509 I HA -0.008 4.164 4.170 0.004 0.000 0.287 509 I C 0.024 176.200 176.117 0.098 0.000 1.188 509 I CA 0.313 61.685 61.300 0.120 0.000 1.427 509 I CB 0.053 38.093 38.000 0.066 0.000 1.365 509 I HN 0.708 nan 8.210 nan 0.000 0.585 510 H N 2.969 121.884 119.070 -0.258 0.000 2.967 510 H HA 0.413 4.971 4.556 0.004 0.000 0.318 510 H C -1.671 173.418 175.328 -0.399 0.000 1.375 510 H CA -1.007 54.726 56.048 -0.525 0.000 1.132 510 H CB 1.117 30.114 29.762 -1.275 0.000 1.848 510 H HN 0.370 nan 8.280 nan 0.000 0.524 511 T N 2.020 116.333 114.554 -0.402 0.000 2.812 511 T HA 0.257 4.609 4.350 0.004 0.000 0.282 511 T C -0.473 174.005 174.700 -0.370 0.000 0.990 511 T CA -0.675 61.207 62.100 -0.364 0.000 0.960 511 T CB 0.733 69.469 68.868 -0.221 0.000 0.948 511 T HN 0.424 nan 8.240 nan 0.000 0.438 512 H N 3.248 122.103 119.070 -0.359 0.000 2.580 512 H HA 0.455 5.013 4.556 0.004 0.000 0.322 512 H C -0.441 174.819 175.328 -0.113 0.000 1.082 512 H CA -0.166 55.730 56.048 -0.253 0.000 1.383 512 H CB 0.971 30.387 29.762 -0.576 0.000 1.450 512 H HN 0.352 nan 8.280 nan 0.000 0.505 513 L N 3.460 124.806 121.223 0.204 0.000 2.410 513 L HA 0.377 4.719 4.340 0.004 0.000 0.270 513 L C -0.527 176.603 176.870 0.434 0.000 0.983 513 L CA -0.871 54.160 54.840 0.317 0.000 0.822 513 L CB 2.342 44.587 42.059 0.309 0.000 1.285 513 L HN 0.231 nan 8.230 nan 0.000 0.409 514 V N 1.427 121.573 119.914 0.388 0.000 2.555 514 V HA 0.400 4.523 4.120 0.004 0.000 0.302 514 V C -0.565 175.599 176.094 0.117 0.000 1.038 514 V CA -0.569 61.867 62.300 0.227 0.000 0.887 514 V CB 1.960 33.928 31.823 0.241 0.000 0.991 514 V HN 0.664 nan 8.190 nan 0.000 0.434 515 H N 3.425 122.205 119.070 -0.484 0.000 2.459 515 H HA 0.525 5.083 4.556 0.004 0.000 0.332 515 H C -1.717 173.363 175.328 -0.413 0.000 1.094 515 H CA -0.422 55.267 56.048 -0.598 0.000 1.224 515 H CB 1.361 30.204 29.762 -1.530 0.000 1.449 515 H HN 0.618 nan 8.280 nan 0.000 0.484 516 Y N 2.702 122.759 120.300 -0.406 0.000 2.429 516 Y HA 0.263 4.815 4.550 0.004 0.000 0.342 516 Y C 0.245 175.888 175.900 -0.428 0.000 1.004 516 Y CA -0.829 57.118 58.100 -0.255 0.000 1.075 516 Y CB 1.571 40.050 38.460 0.030 0.000 1.214 516 Y HN 0.472 nan 8.280 nan 0.000 0.455 517 R N 2.212 122.604 120.500 -0.179 0.000 2.294 517 R HA 0.659 5.002 4.340 0.004 0.000 0.319 517 R C -1.857 174.224 176.300 -0.365 0.000 0.984 517 R CA -0.435 55.365 56.100 -0.501 0.000 0.861 517 R CB 0.724 30.704 30.300 -0.534 0.000 1.104 517 R HN 0.571 nan 8.270 nan 0.000 0.451 518 V N 4.523 124.136 119.914 -0.502 0.000 2.315 518 V HA 0.085 4.207 4.120 0.004 0.000 0.265 518 V C -0.585 175.269 176.094 -0.400 0.000 1.019 518 V CA -0.780 61.295 62.300 -0.375 0.000 0.824 518 V CB 0.909 32.477 31.823 -0.426 0.000 1.072 518 V HN 0.728 nan 8.190 nan 0.000 0.448 519 D N 4.071 124.299 120.400 -0.287 0.000 2.508 519 D HA 0.225 4.867 4.640 0.004 0.000 0.224 519 D C 0.108 176.317 176.300 -0.152 0.000 1.171 519 D CA 0.063 53.955 54.000 -0.180 0.000 1.006 519 D CB 0.251 41.044 40.800 -0.011 0.000 1.073 519 D HN 0.422 nan 8.370 nan 0.000 0.513 520 L N 2.653 123.733 121.223 -0.239 0.000 2.410 520 L HA 0.207 4.549 4.340 0.004 0.000 0.273 520 L C 0.236 177.047 176.870 -0.098 0.000 1.152 520 L CA 0.028 54.743 54.840 -0.209 0.000 0.855 520 L CB 0.707 42.570 42.059 -0.328 0.000 1.129 520 L HN 0.139 nan 8.230 nan 0.000 0.463 521 D N 2.620 122.978 120.400 -0.070 0.000 2.434 521 D HA 0.204 4.846 4.640 0.004 0.000 0.275 521 D C -0.561 175.739 176.300 -0.000 0.000 1.172 521 D CA -0.198 53.786 54.000 -0.028 0.000 0.916 521 D CB 1.366 42.146 40.800 -0.033 0.000 1.041 521 D HN 0.016 nan 8.370 nan 0.000 0.501 522 V N 1.532 121.487 119.914 0.069 0.000 2.421 522 V HA 0.294 4.416 4.120 0.004 0.000 0.271 522 V C 1.358 177.583 176.094 0.218 0.000 1.031 522 V CA -0.132 62.273 62.300 0.175 0.000 1.032 522 V CB 0.297 32.291 31.823 0.284 0.000 1.009 522 V HN 0.734 nan 8.190 nan 0.000 0.477 523 A N 3.613 126.601 122.820 0.279 0.000 2.790 523 A HA 0.042 4.364 4.320 0.004 0.000 0.277 523 A C 1.102 178.724 177.584 0.063 0.000 1.435 523 A CA 1.346 53.482 52.037 0.166 0.000 0.877 523 A CB -1.479 17.544 19.000 0.038 0.000 1.007 523 A HN 2.586 nan 8.150 nan 0.000 0.613 524 G N -4.416 104.409 108.800 0.042 0.000 2.347 524 G HA2 0.465 4.427 3.960 0.004 0.000 0.321 524 G HA3 0.465 4.427 3.960 0.004 0.000 0.321 524 G C 0.487 175.387 174.900 0.000 0.000 1.412 524 G CA 0.629 45.737 45.100 0.012 0.000 0.990 524 G HN 1.627 nan 8.290 nan 0.000 0.637 525 T N -1.231 113.307 114.554 -0.028 0.000 2.777 525 T HA 0.067 4.419 4.350 0.004 0.000 0.266 525 T C 0.934 175.625 174.700 -0.015 0.000 1.040 525 T CA 1.158 63.225 62.100 -0.055 0.000 1.141 525 T CB -0.088 68.722 68.868 -0.098 0.000 0.868 525 T HN 0.401 nan 8.240 nan 0.000 0.444 526 K N 3.180 123.583 120.400 0.004 0.000 2.310 526 K HA 0.406 4.729 4.320 0.004 0.000 0.290 526 K C -0.672 175.961 176.600 0.054 0.000 1.077 526 K CA 0.100 56.402 56.287 0.024 0.000 0.922 526 K CB 0.460 32.969 32.500 0.014 0.000 1.057 526 K HN 0.542 nan 8.250 nan 0.000 0.479 527 N N -0.039 118.711 118.700 0.083 0.000 2.469 527 N HA 0.337 5.079 4.740 0.004 0.000 0.286 527 N C -0.882 174.706 175.510 0.130 0.000 1.275 527 N CA -0.702 52.425 53.050 0.129 0.000 0.790 527 N CB 1.720 40.326 38.487 0.199 0.000 1.446 527 N HN 0.499 nan 8.380 nan 0.000 0.501 528 S N -0.430 115.355 115.700 0.143 0.000 2.709 528 S HA 0.671 5.144 4.470 0.004 0.000 0.302 528 S C -1.396 173.297 174.600 0.155 0.000 1.127 528 S CA -0.726 57.551 58.200 0.129 0.000 0.905 528 S CB 1.497 64.741 63.200 0.074 0.000 1.151 528 S HN 0.465 nan 8.310 nan 0.000 0.510 529 F N 1.615 121.522 119.950 -0.073 0.000 2.529 529 F HA 0.659 5.188 4.527 0.004 0.000 0.320 529 F C -0.651 175.086 175.800 -0.104 0.000 1.118 529 F CA -0.406 57.421 58.000 -0.289 0.000 0.915 529 F CB 1.809 40.554 39.000 -0.426 0.000 1.161 529 F HN 0.974 nan 8.300 nan 0.000 0.445 530 Q N 2.739 121.980 119.800 -0.931 0.000 2.511 530 Q HA 0.751 5.094 4.340 0.004 0.000 0.289 530 Q C -1.752 173.800 176.000 -0.747 0.000 1.021 530 Q CA -1.094 54.391 55.803 -0.530 0.000 0.785 530 Q CB 2.448 31.086 28.738 -0.167 0.000 1.472 530 Q HN 0.670 nan 8.270 nan 0.000 0.411 531 T N -0.861 113.548 114.554 -0.242 0.000 2.916 531 T HA 0.774 5.126 4.350 0.004 0.000 0.292 531 T C -0.625 174.042 174.700 -0.056 0.000 1.055 531 T CA -0.862 61.135 62.100 -0.172 0.000 1.009 531 T CB 1.077 69.937 68.868 -0.013 0.000 1.118 531 T HN 0.547 nan 8.240 nan 0.000 0.497 532 L N 0.839 122.033 121.223 -0.048 0.000 2.381 532 L HA 0.860 5.202 4.340 0.004 0.000 0.268 532 L C 0.147 177.018 176.870 0.001 0.000 0.997 532 L CA -0.962 53.841 54.840 -0.063 0.000 0.818 532 L CB 1.611 43.540 42.059 -0.217 0.000 1.310 532 L HN 1.043 nan 8.230 nan 0.000 0.416 533 Q N 2.855 122.654 119.800 -0.002 0.000 2.456 533 Q HA 0.650 4.992 4.340 0.004 0.000 0.283 533 Q C -1.055 174.949 176.000 0.007 0.000 1.084 533 Q CA -0.785 55.037 55.803 0.030 0.000 0.801 533 Q CB 2.843 31.611 28.738 0.050 0.000 1.434 533 Q HN 0.656 nan 8.270 nan 0.000 0.419 534 M N 1.907 121.521 119.600 0.023 0.000 2.185 534 M HA 0.494 4.976 4.480 0.004 0.000 0.357 534 M C -0.963 175.351 176.300 0.023 0.000 1.260 534 M CA 0.093 55.403 55.300 0.017 0.000 1.124 534 M CB 0.416 33.032 32.600 0.026 0.000 1.600 534 M HN 0.820 nan 8.290 nan 0.000 0.467 535 K N 5.161 125.572 120.400 0.017 0.000 2.443 535 K HA 0.550 4.872 4.320 0.004 0.000 0.252 535 K C -1.451 175.160 176.600 0.018 0.000 0.933 535 K CA -0.651 55.648 56.287 0.020 0.000 0.792 535 K CB 1.791 34.303 32.500 0.018 0.000 1.185 535 K HN 0.767 nan 8.250 nan 0.000 0.425 536 L N 3.813 125.048 121.223 0.019 0.000 2.417 536 L HA 0.266 4.609 4.340 0.004 0.000 0.268 536 L C 0.439 177.318 176.870 0.015 0.000 1.158 536 L CA -0.075 54.776 54.840 0.017 0.000 0.819 536 L CB 0.821 42.891 42.059 0.018 0.000 1.112 536 L HN 0.742 nan 8.230 nan 0.000 0.458 537 E N 1.634 121.842 120.200 0.014 0.000 2.281 537 E HA 0.401 4.753 4.350 0.004 0.000 0.262 537 E C -1.100 175.505 176.600 0.009 0.000 0.933 537 E CA -1.008 55.399 56.400 0.011 0.000 0.809 537 E CB 2.002 31.709 29.700 0.011 0.000 1.242 537 E HN 0.379 nan 8.360 nan 0.000 0.418 538 N N 1.847 120.550 118.700 0.005 0.000 2.576 538 N HA 0.294 5.037 4.740 0.004 0.000 0.269 538 N C -1.278 174.229 175.510 -0.004 0.000 1.058 538 N CA -0.633 52.418 53.050 0.001 0.000 0.860 538 N CB 0.741 39.228 38.487 0.000 0.000 1.249 538 N HN 0.710 nan 8.380 nan 0.000 0.525 539 I N -1.154 119.412 120.570 -0.007 0.000 2.957 539 I HA 0.616 4.788 4.170 0.004 0.000 0.310 539 I C 0.090 176.191 176.117 -0.027 0.000 1.063 539 I CA -0.825 60.467 61.300 -0.012 0.000 1.033 539 I CB 1.687 39.684 38.000 -0.004 0.000 1.230 539 I HN 0.056 nan 8.210 nan 0.000 0.447 540 T N 2.857 117.392 114.554 -0.032 0.000 2.908 540 T HA -0.015 4.337 4.350 0.004 0.000 0.301 540 T C 0.369 175.023 174.700 -0.077 0.000 1.019 540 T CA 0.141 62.210 62.100 -0.053 0.000 1.152 540 T CB -0.404 68.437 68.868 -0.045 0.000 0.966 540 T HN 0.600 nan 8.240 nan 0.000 0.540 541 N N 4.711 123.332 118.700 -0.131 0.000 2.429 541 N HA 0.031 4.773 4.740 0.004 0.000 0.271 541 N C -1.676 173.679 175.510 -0.259 0.000 1.272 541 N CA -1.978 50.914 53.050 -0.263 0.000 0.921 541 N CB 1.179 39.407 38.487 -0.432 0.000 1.128 541 N HN 0.227 nan 8.380 nan 0.000 0.481 542 P HA -0.050 nan 4.420 nan 0.000 0.222 542 P C 0.763 178.106 177.300 0.072 0.000 1.147 542 P CA 1.138 64.240 63.100 0.004 0.000 0.790 542 P CB -0.083 31.683 31.700 0.110 0.000 0.780 543 W N -2.444 118.872 121.300 0.026 0.000 3.008 543 W HA 0.539 5.201 4.660 0.004 0.000 0.355 543 W C -0.353 176.190 176.519 0.040 0.000 1.095 543 W CA -0.153 57.206 57.345 0.024 0.000 1.738 543 W CB -0.281 29.186 29.460 0.012 0.000 1.091 543 W HN -0.087 nan 8.180 nan 0.000 0.574 544 S N 2.056 117.565 115.700 -0.319 0.000 2.356 544 S HA 0.328 4.800 4.470 0.004 0.000 0.171 544 S C -1.762 172.776 174.600 -0.105 0.000 1.399 544 S CA -0.789 57.299 58.200 -0.186 0.000 1.225 544 S CB 0.698 63.652 63.200 -0.410 0.000 1.271 544 S HN -0.331 nan 8.310 nan 0.000 0.427 545 P HA -0.125 nan 4.420 nan 0.000 0.217 545 P C 1.045 178.269 177.300 -0.126 0.000 1.148 545 P CA 1.117 64.170 63.100 -0.078 0.000 0.834 545 P CB 0.057 31.730 31.700 -0.046 0.000 0.783 546 R N -2.059 118.325 120.500 -0.194 0.000 2.339 546 R HA -0.003 4.339 4.340 0.004 0.000 0.199 546 R C 0.269 176.210 176.300 -0.598 0.000 1.018 546 R CA 0.494 56.358 56.100 -0.392 0.000 1.036 546 R CB -0.509 29.495 30.300 -0.493 0.000 0.899 546 R HN 0.481 nan 8.270 nan 0.000 0.473 547 H N -0.979 118.002 119.070 -0.148 0.000 2.855 547 H HA 0.430 4.989 4.556 0.004 0.000 0.363 547 H C -0.295 174.938 175.328 -0.158 0.000 1.185 547 H CA -0.998 54.954 56.048 -0.160 0.000 1.174 547 H CB 1.138 30.764 29.762 -0.226 0.000 1.857 547 H HN -0.274 nan 8.280 nan 0.000 0.565 548 R N 0.743 121.251 120.500 0.013 0.000 2.664 548 R HA 0.495 4.837 4.340 0.004 0.000 0.286 548 R C -1.126 175.149 176.300 -0.041 0.000 0.967 548 R CA -1.029 55.054 56.100 -0.028 0.000 0.933 548 R CB 1.938 32.228 30.300 -0.016 0.000 1.146 548 R HN 0.317 nan 8.270 nan 0.000 0.468 549 V N 2.706 122.595 119.914 -0.042 0.000 2.334 549 V HA 0.252 4.375 4.120 0.004 0.000 0.281 549 V C -0.217 175.876 176.094 -0.002 0.000 1.016 549 V CA -0.770 61.518 62.300 -0.020 0.000 0.832 549 V CB 1.834 33.651 31.823 -0.010 0.000 0.999 549 V HN 0.391 nan 8.190 nan 0.000 0.439 550 V N 7.036 126.954 119.914 0.005 0.000 2.333 550 V HA 0.559 4.681 4.120 0.004 0.000 0.274 550 V C -0.037 176.067 176.094 0.017 0.000 1.028 550 V CA -0.246 62.060 62.300 0.010 0.000 0.851 550 V CB 1.122 32.951 31.823 0.010 0.000 1.000 550 V HN 1.055 nan 8.190 nan 0.000 0.456 551 Q N 5.212 125.023 119.800 0.019 0.000 2.482 551 Q HA 0.632 4.975 4.340 0.004 0.000 0.286 551 Q C -3.158 172.854 176.000 0.021 0.000 1.007 551 Q CA -2.280 53.537 55.803 0.023 0.000 0.801 551 Q CB 2.532 31.287 28.738 0.029 0.000 1.455 551 Q HN 0.319 nan 8.270 nan 0.000 0.398 552 P HA 0.051 nan 4.420 nan 0.000 0.266 552 P C -0.792 176.517 177.300 0.015 0.000 1.195 552 P CA 0.407 63.517 63.100 0.018 0.000 0.768 552 P CB 0.722 32.432 31.700 0.017 0.000 0.838 553 T N 0.321 114.882 114.554 0.012 0.000 2.916 553 T HA 0.589 4.941 4.350 0.004 0.000 0.292 553 T C -0.856 173.845 174.700 0.001 0.000 1.064 553 T CA -0.982 61.123 62.100 0.008 0.000 1.011 553 T CB 0.907 69.782 68.868 0.011 0.000 1.152 553 T HN 0.148 nan 8.240 nan 0.000 0.510 554 L N 1.491 122.712 121.223 -0.003 0.000 2.257 554 L HA 0.568 4.910 4.340 0.004 0.000 0.290 554 L C -0.008 176.858 176.870 -0.008 0.000 1.044 554 L CA -0.272 54.558 54.840 -0.017 0.000 0.810 554 L CB 0.532 42.580 42.059 -0.019 0.000 1.193 554 L HN 0.909 nan 8.230 nan 0.000 0.425 555 E N 4.329 124.522 120.200 -0.011 0.000 2.151 555 E HA 0.310 4.663 4.350 0.004 0.000 0.275 555 E C -1.166 175.429 176.600 -0.010 0.000 0.936 555 E CA -0.575 55.824 56.400 -0.003 0.000 0.777 555 E CB 0.934 30.638 29.700 0.006 0.000 1.108 555 E HN 0.672 nan 8.360 nan 0.000 0.401 556 Q N 2.221 122.017 119.800 -0.006 0.000 2.241 556 Q HA 0.330 4.673 4.340 0.004 0.000 0.254 556 Q C -0.924 175.068 176.000 -0.014 0.000 0.917 556 Q CA -0.421 55.376 55.803 -0.010 0.000 0.919 556 Q CB 2.146 30.884 28.738 -0.001 0.000 1.237 556 Q HN 0.434 nan 8.270 nan 0.000 0.434 557 T N 3.069 117.618 114.554 -0.008 0.000 2.812 557 T HA 0.275 4.627 4.350 0.004 0.000 0.282 557 T C -0.532 174.133 174.700 -0.057 0.000 0.990 557 T CA -0.873 61.191 62.100 -0.060 0.000 0.960 557 T CB 1.307 70.133 68.868 -0.070 0.000 0.948 557 T HN 0.302 nan 8.240 nan 0.000 0.438 558 Q N 1.910 121.636 119.800 -0.123 0.000 2.227 558 Q HA 0.479 4.821 4.340 0.004 0.000 0.245 558 Q C -1.167 174.727 176.000 -0.177 0.000 0.926 558 Q CA -0.501 55.278 55.803 -0.040 0.000 0.895 558 Q CB 1.221 29.942 28.738 -0.028 0.000 1.230 558 Q HN 0.658 nan 8.270 nan 0.000 0.450 559 Y N -0.683 119.626 120.300 0.015 0.000 2.361 559 Y HA 0.264 4.816 4.550 0.003 0.000 0.337 559 Y C 0.700 176.609 175.900 0.015 0.000 0.965 559 Y CA -0.490 57.663 58.100 0.089 0.000 1.091 559 Y CB 2.226 40.837 38.460 0.251 0.000 1.182 559 Y HN 0.539 nan 8.280 nan 0.000 0.450 560 S N 1.309 117.039 115.700 0.049 0.000 2.524 560 S HA 0.145 4.617 4.470 0.004 0.000 0.222 560 S C -0.827 173.405 174.600 -0.613 0.000 1.040 560 S CA -0.068 57.929 58.200 -0.337 0.000 0.915 560 S CB 0.311 63.214 63.200 -0.495 0.000 0.831 560 S HN 0.618 nan 8.310 nan 0.000 0.492 561 W N 1.376 122.749 121.300 0.121 0.000 2.936 561 W HA 0.496 5.158 4.660 0.004 0.000 0.338 561 W C 0.730 177.303 176.519 0.089 0.000 1.121 561 W CA -0.834 56.563 57.345 0.088 0.000 1.209 561 W CB 0.681 30.175 29.460 0.056 0.000 1.420 561 W HN -0.110 nan 8.180 nan 0.000 0.516 562 E N 0.521 120.892 120.200 0.285 0.000 2.086 562 E HA -0.326 4.026 4.350 0.004 0.000 0.200 562 E C 2.013 178.674 176.600 0.102 0.000 1.012 562 E CA 1.629 58.120 56.400 0.152 0.000 0.812 562 E CB 0.045 29.812 29.700 0.113 0.000 0.743 562 E HN 0.222 nan 8.360 nan 0.000 0.453 563 R N 1.373 121.947 120.500 0.123 0.000 2.120 563 R HA -0.145 4.197 4.340 0.004 0.000 0.234 563 R C 1.884 178.209 176.300 0.042 0.000 1.123 563 R CA 1.572 57.706 56.100 0.056 0.000 0.975 563 R CB -0.245 30.092 30.300 0.061 0.000 0.866 563 R HN 0.266 nan 8.270 nan 0.000 0.446 564 Q N -1.153 118.728 119.800 0.136 0.000 2.224 564 Q HA 0.029 4.371 4.340 0.004 0.000 0.203 564 Q C 1.213 177.271 176.000 0.097 0.000 0.970 564 Q CA 1.424 57.322 55.803 0.158 0.000 0.865 564 Q CB 0.061 28.971 28.738 0.287 0.000 0.922 564 Q HN 0.396 nan 8.270 nan 0.000 0.445 565 A N 0.187 123.030 122.820 0.038 0.000 2.379 565 A HA 0.468 4.790 4.320 0.004 0.000 0.236 565 A C 0.502 177.908 177.584 -0.297 0.000 1.272 565 A CA -0.065 51.862 52.037 -0.183 0.000 0.886 565 A CB 0.294 19.217 19.000 -0.128 0.000 0.962 565 A HN 0.188 nan 8.150 nan 0.000 0.504 566 A N 0.387 123.020 122.820 -0.311 0.000 2.478 566 A HA 0.640 4.962 4.320 0.004 0.000 0.327 566 A C -0.799 176.703 177.584 -0.136 0.000 1.431 566 A CA -0.352 51.532 52.037 -0.254 0.000 1.014 566 A CB -0.665 18.128 19.000 -0.344 0.000 1.143 566 A HN 0.278 nan 8.150 nan 0.000 0.532 567 F N 2.309 122.349 119.950 0.149 0.000 2.404 567 F HA 0.379 4.909 4.527 0.004 0.000 0.358 567 F C 1.135 177.071 175.800 0.226 0.000 1.120 567 F CA -0.014 58.091 58.000 0.175 0.000 1.144 567 F CB 1.068 40.126 39.000 0.095 0.000 1.133 567 F HN 0.530 nan 8.300 nan 0.000 0.495 568 R N 2.174 122.866 120.500 0.321 0.000 2.583 568 R HA 0.268 4.610 4.340 0.004 0.000 0.268 568 R C 0.741 177.087 176.300 0.075 0.000 1.101 568 R CA -0.565 55.624 56.100 0.148 0.000 1.180 568 R CB 0.530 30.909 30.300 0.131 0.000 1.128 568 R HN 0.593 nan 8.270 nan 0.000 0.568 569 F N 1.161 121.174 119.950 0.104 0.000 2.293 569 F HA -0.163 4.366 4.527 0.003 0.000 0.300 569 F C 2.683 178.537 175.800 0.090 0.000 1.086 569 F CA 1.855 59.911 58.000 0.093 0.000 1.375 569 F CB -0.185 38.842 39.000 0.045 0.000 1.045 569 F HN 0.640 nan 8.300 nan 0.000 0.516 570 K N 0.848 121.393 120.400 0.240 0.000 2.097 570 K HA -0.056 4.266 4.320 0.004 0.000 0.205 570 K C 1.235 177.932 176.600 0.161 0.000 1.050 570 K CA 0.797 57.185 56.287 0.169 0.000 0.938 570 K CB -0.844 31.732 32.500 0.126 0.000 0.718 570 K HN 0.219 nan 8.250 nan 0.000 0.442 571 R N 0.835 121.443 120.500 0.179 0.000 2.679 571 R HA 0.310 4.652 4.340 0.004 0.000 0.268 571 R C 0.156 176.580 176.300 0.207 0.000 1.044 571 R CA 0.545 56.766 56.100 0.202 0.000 1.105 571 R CB 0.300 30.756 30.300 0.260 0.000 0.989 571 R HN 0.414 nan 8.270 nan 0.000 0.447 572 K N 4.118 124.633 120.400 0.193 0.000 2.383 572 K HA 0.086 4.408 4.320 0.004 0.000 0.286 572 K C -0.483 176.224 176.600 0.177 0.000 1.051 572 K CA -0.198 56.186 56.287 0.161 0.000 0.974 572 K CB 0.401 32.983 32.500 0.136 0.000 0.968 572 K HN 0.419 nan 8.250 nan 0.000 0.475 573 L N 5.133 126.408 121.223 0.087 0.000 2.260 573 L HA 0.373 4.715 4.340 0.004 0.000 0.289 573 L C -2.102 174.731 176.870 -0.061 0.000 1.057 573 L CA -1.971 52.834 54.840 -0.058 0.000 0.811 573 L CB 1.071 43.075 42.059 -0.092 0.000 1.184 573 L HN 0.596 nan 8.230 nan 0.000 0.429 574 P HA 0.094 nan 4.420 nan 0.000 0.268 574 P C 0.425 177.698 177.300 -0.044 0.000 1.208 574 P CA -0.188 62.901 63.100 -0.018 0.000 0.777 574 P CB 0.456 32.161 31.700 0.009 0.000 0.875 575 K N -0.314 120.101 120.400 0.025 0.000 2.228 575 K HA -0.008 4.315 4.320 0.004 0.000 0.202 575 K C 0.221 176.747 176.600 -0.123 0.000 1.051 575 K CA 1.098 57.384 56.287 -0.001 0.000 0.960 575 K CB -0.621 31.944 32.500 0.108 0.000 0.743 575 K HN 0.494 nan 8.250 nan 0.000 0.458 576 Y N 0.146 120.368 120.300 -0.131 0.000 2.388 576 Y HA 0.442 4.994 4.550 0.003 0.000 0.328 576 Y C -0.324 175.435 175.900 -0.234 0.000 0.963 576 Y CA -1.248 56.726 58.100 -0.211 0.000 1.240 576 Y CB 0.894 39.168 38.460 -0.310 0.000 1.118 576 Y HN -0.076 nan 8.280 nan 0.000 0.484 577 L N 5.957 127.110 121.223 -0.116 0.000 2.283 577 L HA 0.505 4.847 4.340 0.004 0.000 0.281 577 L C -0.815 176.035 176.870 -0.033 0.000 1.033 577 L CA -0.271 54.522 54.840 -0.078 0.000 0.848 577 L CB 0.549 42.651 42.059 0.072 0.000 1.226 577 L HN 0.443 nan 8.230 nan 0.000 0.429 578 L N 3.233 124.283 121.223 -0.289 0.000 2.329 578 L HA 0.550 4.893 4.340 0.004 0.000 0.279 578 L C -0.883 175.848 176.870 -0.231 0.000 1.014 578 L CA -0.454 54.298 54.840 -0.147 0.000 0.814 578 L CB 1.767 43.709 42.059 -0.195 0.000 1.257 578 L HN 0.335 nan 8.230 nan 0.000 0.424 579 F N 0.871 120.937 119.950 0.194 0.000 2.402 579 F HA 0.429 4.958 4.527 0.003 0.000 0.355 579 F C 0.698 176.616 175.800 0.197 0.000 1.123 579 F CA -0.649 57.489 58.000 0.231 0.000 1.021 579 F CB 1.922 41.049 39.000 0.212 0.000 1.160 579 F HN 0.362 nan 8.300 nan 0.000 0.451 580 T N -0.630 114.075 114.554 0.251 0.000 2.918 580 T HA 0.654 5.007 4.350 0.004 0.000 0.286 580 T C -0.333 174.472 174.700 0.174 0.000 1.026 580 T CA -0.820 61.401 62.100 0.201 0.000 1.031 580 T CB 1.864 70.805 68.868 0.122 0.000 1.046 580 T HN 0.462 nan 8.240 nan 0.000 0.479 581 S N 1.298 117.085 115.700 0.146 0.000 2.593 581 S HA 0.544 5.016 4.470 0.004 0.000 0.297 581 S C -1.845 172.782 174.600 0.045 0.000 1.112 581 S CA -1.933 56.320 58.200 0.088 0.000 1.043 581 S CB 0.998 64.236 63.200 0.063 0.000 1.054 581 S HN 0.615 nan 8.310 nan 0.000 0.516 582 P HA -0.007 nan 4.420 nan 0.000 0.226 582 P C -0.325 176.964 177.300 -0.019 0.000 1.153 582 P CA 0.718 63.821 63.100 0.005 0.000 0.777 582 P CB 0.018 31.718 31.700 -0.000 0.000 0.794 583 Q N 0.528 120.305 119.800 -0.038 0.000 2.364 583 Q HA 0.109 4.451 4.340 0.004 0.000 0.267 583 Q C 0.053 176.003 176.000 -0.084 0.000 0.999 583 Q CA 0.461 56.218 55.803 -0.076 0.000 0.886 583 Q CB 0.450 29.118 28.738 -0.116 0.000 1.243 583 Q HN 0.294 nan 8.270 nan 0.000 0.415 584 E N 1.713 121.857 120.200 -0.094 0.000 2.222 584 E HA 0.116 4.468 4.350 0.004 0.000 0.272 584 E C -0.412 176.102 176.600 -0.143 0.000 0.982 584 E CA -0.832 55.514 56.400 -0.090 0.000 0.842 584 E CB 0.973 30.622 29.700 -0.086 0.000 1.144 584 E HN 0.536 nan 8.360 nan 0.000 0.397 585 N N 1.684 120.305 118.700 -0.131 0.000 2.327 585 N HA 0.089 4.831 4.740 0.004 0.000 0.257 585 N C -2.149 173.158 175.510 -0.338 0.000 1.281 585 N CA -1.450 51.472 53.050 -0.213 0.000 0.942 585 N CB -0.254 38.157 38.487 -0.127 0.000 1.199 585 N HN 0.058 nan 8.380 nan 0.000 0.532 586 P HA -0.006 nan 4.420 nan 0.000 0.228 586 P C -0.083 176.717 177.300 -0.834 0.000 1.151 586 P CA 1.223 63.791 63.100 -0.887 0.000 0.770 586 P CB -0.132 30.755 31.700 -1.354 0.000 0.786 587 W N -1.793 119.508 121.300 0.002 0.000 3.239 587 W HA 0.465 5.128 4.660 0.005 0.000 0.368 587 W C 1.110 177.609 176.519 -0.033 0.000 1.154 587 W CA -0.053 57.306 57.345 0.023 0.000 1.860 587 W CB -0.222 29.290 29.460 0.087 0.000 1.094 587 W HN -0.063 nan 8.180 nan 0.000 0.643 588 G N 0.480 109.279 108.800 -0.000 0.000 2.141 588 G HA2 -0.247 3.715 3.960 0.004 0.000 0.242 588 G HA3 -0.247 3.715 3.960 0.004 0.000 0.242 588 G C -0.084 174.663 174.900 -0.256 0.000 0.982 588 G CA -0.345 44.674 45.100 -0.135 0.000 0.662 588 G HN 0.420 nan 8.290 nan 0.000 0.527 589 H N 0.508 119.595 119.070 0.030 0.000 2.472 589 H HA 0.432 4.990 4.556 0.004 0.000 0.338 589 H C 0.110 175.442 175.328 0.006 0.000 1.133 589 H CA -0.309 55.756 56.048 0.029 0.000 1.216 589 H CB 1.541 31.323 29.762 0.034 0.000 1.497 589 H HN 0.119 nan 8.280 nan 0.000 0.500 590 K N 2.247 122.732 120.400 0.142 0.000 2.382 590 K HA 0.133 4.456 4.320 0.004 0.000 0.275 590 K C 0.561 177.224 176.600 0.105 0.000 1.009 590 K CA -0.385 55.954 56.287 0.087 0.000 0.970 590 K CB 0.219 32.774 32.500 0.092 0.000 0.934 590 K HN 0.551 nan 8.250 nan 0.000 0.479 591 R N 1.403 121.921 120.500 0.030 0.000 2.316 591 R HA 0.229 4.571 4.340 0.004 0.000 0.314 591 R C 0.347 176.781 176.300 0.224 0.000 1.069 591 R CA -0.088 56.017 56.100 0.008 0.000 0.959 591 R CB 0.535 30.657 30.300 -0.297 0.000 0.987 591 R HN 0.823 nan 8.270 nan 0.000 0.446 592 S N 2.240 118.155 115.700 0.357 0.000 2.618 592 S HA 0.492 4.964 4.470 0.004 0.000 0.277 592 S C -1.389 173.451 174.600 0.400 0.000 1.138 592 S CA -0.884 57.564 58.200 0.413 0.000 0.844 592 S CB 1.369 64.778 63.200 0.349 0.000 1.127 592 S HN 0.481 nan 8.310 nan 0.000 0.474 593 Y N 0.450 120.906 120.300 0.259 0.000 2.409 593 Y HA 0.619 5.171 4.550 0.004 0.000 0.343 593 Y C 0.295 176.329 175.900 0.224 0.000 0.973 593 Y CA -0.651 57.551 58.100 0.170 0.000 1.064 593 Y CB 1.966 40.452 38.460 0.043 0.000 1.207 593 Y HN 0.850 nan 8.280 nan 0.000 0.452 594 R N 4.130 124.770 120.500 0.233 0.000 2.393 594 R HA 0.551 4.894 4.340 0.004 0.000 0.310 594 R C -1.794 174.612 176.300 0.176 0.000 0.968 594 R CA -0.903 55.286 56.100 0.148 0.000 0.867 594 R CB 0.955 31.249 30.300 -0.010 0.000 1.124 594 R HN 0.701 nan 8.270 nan 0.000 0.450 595 L N 3.644 124.986 121.223 0.198 0.000 2.275 595 L HA 0.333 4.675 4.340 0.004 0.000 0.288 595 L C -0.936 175.965 176.870 0.052 0.000 1.046 595 L CA 0.219 55.145 54.840 0.144 0.000 0.805 595 L CB 1.453 43.605 42.059 0.155 0.000 1.193 595 L HN 0.696 nan 8.230 nan 0.000 0.426 596 Q N 5.185 125.023 119.800 0.064 0.000 2.309 596 Q HA 0.514 4.857 4.340 0.004 0.000 0.270 596 Q C -1.503 174.558 176.000 0.101 0.000 1.023 596 Q CA -0.496 55.319 55.803 0.019 0.000 0.758 596 Q CB 1.345 30.065 28.738 -0.030 0.000 1.247 596 Q HN 0.772 nan 8.270 nan 0.000 0.455 597 I N 3.350 123.970 120.570 0.083 0.000 2.353 597 I HA 0.211 4.383 4.170 0.004 0.000 0.293 597 I C -0.195 176.026 176.117 0.172 0.000 0.992 597 I CA -0.586 60.800 61.300 0.143 0.000 1.268 597 I CB 1.123 39.176 38.000 0.088 0.000 1.387 597 I HN 0.584 nan 8.210 nan 0.000 0.478 598 H N 6.324 125.454 119.070 0.100 0.000 2.673 598 H HA 0.520 5.078 4.556 0.004 0.000 0.293 598 H C -1.329 174.064 175.328 0.108 0.000 1.065 598 H CA -0.094 55.995 56.048 0.069 0.000 1.236 598 H CB 1.264 31.039 29.762 0.022 0.000 1.389 598 H HN 0.607 nan 8.280 nan 0.000 0.481 599 S N 4.043 119.621 115.700 -0.202 0.000 2.565 599 S HA 0.315 4.787 4.470 0.004 0.000 0.269 599 S C -0.500 174.076 174.600 -0.041 0.000 1.153 599 S CA -0.643 57.509 58.200 -0.080 0.000 0.835 599 S CB 1.313 64.596 63.200 0.139 0.000 1.122 599 S HN 0.669 nan 8.310 nan 0.000 0.462 600 M N 2.443 122.062 119.600 0.031 0.000 2.416 600 M HA 0.480 4.962 4.480 0.004 0.000 0.337 600 M C 0.405 176.746 176.300 0.070 0.000 1.074 600 M CA -0.028 55.305 55.300 0.055 0.000 0.968 600 M CB 0.521 33.151 32.600 0.050 0.000 1.472 600 M HN 0.610 nan 8.290 nan 0.000 0.539 601 A N 0.432 123.315 122.820 0.105 0.000 2.386 601 A HA 0.513 4.835 4.320 0.004 0.000 0.246 601 A C -0.022 177.319 177.584 -0.405 0.000 1.089 601 A CA 0.185 52.198 52.037 -0.040 0.000 0.790 601 A CB 0.327 19.412 19.000 0.143 0.000 1.042 601 A HN 0.359 nan 8.150 nan 0.000 0.497 602 D N -1.864 117.984 120.400 -0.920 0.000 2.692 602 D HA 0.332 4.974 4.640 0.004 0.000 0.303 602 D C -1.134 174.456 176.300 -1.183 0.000 1.278 602 D CA -0.421 52.835 54.000 -1.240 0.000 0.852 602 D CB 1.075 41.610 40.800 -0.442 0.000 1.375 602 D HN 0.403 nan 8.370 nan 0.000 0.453 603 Q N 0.488 119.888 119.800 -0.667 0.000 2.297 603 Q HA 0.326 4.668 4.340 0.004 0.000 0.267 603 Q C -0.078 175.787 176.000 -0.226 0.000 1.006 603 Q CA 0.399 56.030 55.803 -0.287 0.000 0.896 603 Q CB 1.122 29.814 28.738 -0.076 0.000 1.186 603 Q HN 0.276 nan 8.270 nan 0.000 0.392 604 V N 4.093 123.892 119.914 -0.193 0.000 2.602 604 V HA 0.149 4.271 4.120 0.004 0.000 0.235 604 V C 0.690 176.726 176.094 -0.096 0.000 1.087 604 V CA 0.353 62.565 62.300 -0.147 0.000 1.117 604 V CB -0.232 31.500 31.823 -0.152 0.000 0.820 604 V HN 0.637 nan 8.190 nan 0.000 0.490 605 L N 2.107 123.278 121.223 -0.087 0.000 2.399 605 L HA 0.381 4.723 4.340 0.004 0.000 0.266 605 L C -2.367 174.490 176.870 -0.021 0.000 1.114 605 L CA -1.704 53.117 54.840 -0.032 0.000 0.804 605 L CB 0.628 42.681 42.059 -0.010 0.000 1.146 605 L HN 0.155 nan 8.230 nan 0.000 0.451 606 P HA 0.203 nan 4.420 nan 0.000 0.276 606 P C -2.581 174.759 177.300 0.068 0.000 1.235 606 P CA -1.700 61.414 63.100 0.023 0.000 0.772 606 P CB 0.055 31.754 31.700 -0.001 0.000 0.871 607 P HA 0.065 nan 4.420 nan 0.000 0.263 607 P C 1.124 178.473 177.300 0.082 0.000 1.195 607 P CA 1.284 64.401 63.100 0.028 0.000 0.762 607 P CB -0.083 31.620 31.700 0.006 0.000 0.799 608 G N 2.108 110.956 108.800 0.081 0.000 2.195 608 G HA2 -0.203 3.759 3.960 0.004 0.000 0.246 608 G HA3 -0.203 3.759 3.960 0.004 0.000 0.246 608 G C -0.324 174.669 174.900 0.156 0.000 0.984 608 G CA -0.519 44.640 45.100 0.100 0.000 0.633 608 G HN 0.596 nan 8.290 nan 0.000 0.525 609 W N 2.714 124.015 121.300 0.001 0.000 2.357 609 W HA 0.476 5.139 4.660 0.004 0.000 0.317 609 W C 0.882 177.424 176.519 0.039 0.000 1.101 609 W CA 0.212 57.570 57.345 0.021 0.000 1.380 609 W CB 0.267 29.734 29.460 0.012 0.000 1.266 609 W HN 0.423 nan 8.180 nan 0.000 0.419 610 Q N 2.617 122.056 119.800 -0.601 0.000 2.224 610 Q HA -0.381 3.961 4.340 0.004 0.000 0.415 610 Q C 1.308 177.190 176.000 -0.197 0.000 0.619 610 Q CA 2.838 58.366 55.803 -0.458 0.000 0.957 610 Q CB -1.124 27.124 28.738 -0.817 0.000 2.552 610 Q HN 0.663 nan 8.270 nan 0.000 0.903 611 E N 1.139 121.194 120.200 -0.241 0.000 2.338 611 E HA -0.086 4.266 4.350 0.004 0.000 0.197 611 E C 1.655 178.124 176.600 -0.219 0.000 1.007 611 E CA 0.888 57.061 56.400 -0.379 0.000 0.849 611 E CB -0.094 29.379 29.700 -0.379 0.000 0.774 611 E HN 0.357 nan 8.360 nan 0.000 0.506 612 E N 0.831 120.963 120.200 -0.114 0.000 2.267 612 E HA -0.268 4.085 4.350 0.004 0.000 0.197 612 E C 1.711 178.234 176.600 -0.128 0.000 0.998 612 E CA 0.820 57.160 56.400 -0.101 0.000 0.830 612 E CB 0.113 29.805 29.700 -0.013 0.000 0.751 612 E HN 0.224 nan 8.360 nan 0.000 0.491 613 Q N 0.192 119.926 119.800 -0.109 0.000 2.234 613 Q HA -0.092 4.250 4.340 0.004 0.000 0.206 613 Q C 1.779 177.724 176.000 -0.090 0.000 0.980 613 Q CA 1.663 57.413 55.803 -0.089 0.000 0.869 613 Q CB -0.358 28.340 28.738 -0.067 0.000 0.912 613 Q HN 0.312 nan 8.270 nan 0.000 0.436 614 A N 0.199 122.953 122.820 -0.111 0.000 2.014 614 A HA 0.043 4.365 4.320 0.004 0.000 0.218 614 A C 1.377 178.968 177.584 0.011 0.000 1.163 614 A CA 1.112 53.155 52.037 0.010 0.000 0.652 614 A CB -0.377 18.605 19.000 -0.030 0.000 0.808 614 A HN 0.556 nan 8.150 nan 0.000 0.449 615 I N -3.309 117.100 120.570 -0.268 0.000 2.979 615 I HA 0.248 4.420 4.170 0.004 0.000 0.337 615 I C 0.976 176.596 176.117 -0.827 0.000 1.453 615 I CA 0.328 61.155 61.300 -0.789 0.000 0.891 615 I CB 0.086 37.601 38.000 -0.809 0.000 1.887 615 I HN 0.046 nan 8.210 nan 0.000 0.546 616 T N -1.861 112.434 114.554 -0.431 0.000 2.962 616 T HA -0.144 4.208 4.350 0.004 0.000 0.270 616 T C 1.542 176.153 174.700 -0.147 0.000 1.088 616 T CA 1.094 63.063 62.100 -0.218 0.000 1.127 616 T CB -0.468 68.380 68.868 -0.032 0.000 0.883 616 T HN 0.784 nan 8.240 nan 0.000 0.493 617 W N 1.900 123.081 121.300 -0.199 0.000 2.364 617 W HA 0.173 4.835 4.660 0.003 0.000 0.281 617 W C 1.901 178.220 176.519 -0.333 0.000 1.219 617 W CA 0.394 57.377 57.345 -0.603 0.000 1.220 617 W CB -1.041 27.494 29.460 -1.541 0.000 1.127 617 W HN 0.377 nan 8.180 nan 0.000 0.556 618 A N 1.462 123.954 122.820 -0.547 0.000 2.235 618 A HA 0.017 4.340 4.320 0.004 0.000 0.208 618 A C 2.053 179.638 177.584 0.002 0.000 1.172 618 A CA 0.348 52.235 52.037 -0.249 0.000 0.786 618 A CB -0.719 17.870 19.000 -0.685 0.000 0.804 618 A HN 0.351 nan 8.150 nan 0.000 0.479 619 R N -1.563 118.813 120.500 -0.207 0.000 2.189 619 R HA -0.007 4.335 4.340 0.004 0.000 0.218 619 R C -0.678 175.344 176.300 -0.465 0.000 1.074 619 R CA 0.696 56.568 56.100 -0.380 0.000 0.991 619 R CB -0.037 29.736 30.300 -0.877 0.000 0.883 619 R HN 0.572 nan 8.270 nan 0.000 0.457 620 Y N 0.057 120.383 120.300 0.044 0.000 2.338 620 Y HA 0.260 4.812 4.550 0.004 0.000 0.328 620 Y C -1.734 174.056 175.900 -0.183 0.000 0.965 620 Y CA -3.218 54.836 58.100 -0.078 0.000 1.208 620 Y CB 1.536 40.063 38.460 0.111 0.000 1.132 620 Y HN -0.146 nan 8.280 nan 0.000 0.469 621 P HA -0.126 nan 4.420 nan 0.000 0.217 621 P C -0.143 177.186 177.300 0.048 0.000 1.150 621 P CA 1.128 64.096 63.100 -0.221 0.000 0.832 621 P CB 0.958 32.435 31.700 -0.372 0.000 0.787 622 L N -1.497 119.802 121.223 0.127 0.000 2.455 622 L HA 0.758 5.100 4.340 0.004 0.000 0.264 622 L C -1.743 175.301 176.870 0.290 0.000 0.968 622 L CA -1.078 53.872 54.840 0.183 0.000 0.827 622 L CB 2.105 44.217 42.059 0.087 0.000 1.317 622 L HN -0.084 nan 8.230 nan 0.000 0.407 623 A N 3.943 126.924 122.820 0.269 0.000 2.515 623 A HA 0.850 5.172 4.320 0.004 0.000 0.298 623 A C -1.787 175.981 177.584 0.306 0.000 1.059 623 A CA -0.570 51.591 52.037 0.207 0.000 0.698 623 A CB 1.989 21.084 19.000 0.158 0.000 1.289 623 A HN 0.555 nan 8.150 nan 0.000 0.404 624 V N 1.963 121.973 119.914 0.160 0.000 2.448 624 V HA 0.736 4.858 4.120 0.004 0.000 0.295 624 V C 0.330 176.562 176.094 0.230 0.000 1.025 624 V CA -0.031 62.378 62.300 0.181 0.000 0.859 624 V CB 1.594 33.380 31.823 -0.062 0.000 0.988 624 V HN 1.175 nan 8.190 nan 0.000 0.431 625 T N 1.088 115.852 114.554 0.349 0.000 2.924 625 T HA 0.577 4.930 4.350 0.004 0.000 0.291 625 T C -0.520 174.300 174.700 0.200 0.000 1.045 625 T CA -0.946 61.315 62.100 0.268 0.000 1.015 625 T CB 1.901 70.980 68.868 0.351 0.000 1.103 625 T HN 0.592 nan 8.240 nan 0.000 0.496 626 K N 1.421 121.901 120.400 0.133 0.000 2.339 626 K HA 0.173 4.495 4.320 0.004 0.000 0.286 626 K C -0.545 176.122 176.600 0.110 0.000 1.050 626 K CA -0.701 55.656 56.287 0.117 0.000 0.956 626 K CB 0.181 32.731 32.500 0.083 0.000 0.990 626 K HN 0.688 nan 8.250 nan 0.000 0.475 627 Y N 4.058 124.372 120.300 0.023 0.000 2.805 627 Y HA -0.080 4.472 4.550 0.004 0.000 0.337 627 Y C -0.178 175.708 175.900 -0.023 0.000 1.252 627 Y CA 0.933 59.032 58.100 -0.002 0.000 1.515 627 Y CB 0.498 38.940 38.460 -0.029 0.000 1.305 627 Y HN 0.694 nan 8.280 nan 0.000 0.600 628 R N 4.350 124.417 120.500 -0.722 0.000 2.563 628 R HA 0.119 4.461 4.340 0.004 0.000 0.262 628 R C 0.234 176.178 176.300 -0.594 0.000 1.128 628 R CA -0.608 55.221 56.100 -0.450 0.000 0.969 628 R CB 1.100 31.235 30.300 -0.276 0.000 1.251 628 R HN 0.738 nan 8.270 nan 0.000 0.442 629 E N 0.813 120.836 120.200 -0.295 0.000 2.204 629 E HA -0.112 4.240 4.350 0.004 0.000 0.195 629 E C 1.030 177.567 176.600 -0.105 0.000 0.990 629 E CA 1.802 58.118 56.400 -0.141 0.000 0.821 629 E CB 0.178 29.890 29.700 0.020 0.000 0.750 629 E HN 0.648 nan 8.360 nan 0.000 0.477 630 S N 0.013 115.638 115.700 -0.124 0.000 2.607 630 S HA 0.027 4.499 4.470 0.004 0.000 0.224 630 S C 0.856 175.364 174.600 -0.154 0.000 0.969 630 S CA 0.162 58.309 58.200 -0.088 0.000 0.927 630 S CB -0.039 63.120 63.200 -0.068 0.000 0.772 630 S HN 0.161 nan 8.310 nan 0.000 0.533 631 E N 0.473 120.505 120.200 -0.281 0.000 3.575 631 E HA 0.326 4.678 4.350 0.004 0.000 0.201 631 E C 0.295 176.841 176.600 -0.091 0.000 0.999 631 E CA -0.080 56.044 56.400 -0.461 0.000 1.315 631 E CB 0.378 29.433 29.700 -1.074 0.000 1.146 631 E HN 0.377 nan 8.360 nan 0.000 0.453 632 L N -0.250 120.990 121.223 0.028 0.000 2.291 632 L HA 0.062 4.405 4.340 0.004 0.000 0.214 632 L C 0.659 177.728 176.870 0.331 0.000 1.120 632 L CA 0.608 55.524 54.840 0.127 0.000 0.799 632 L CB 0.100 42.219 42.059 0.101 0.000 0.925 632 L HN 0.245 nan 8.230 nan 0.000 0.446 633 C N -1.412 118.128 119.300 0.400 0.000 2.626 633 C HA 0.301 4.763 4.460 0.004 0.000 0.310 633 C C 1.494 176.766 174.990 0.471 0.000 1.191 633 C CA -0.694 58.575 59.018 0.418 0.000 1.517 633 C CB 1.862 29.747 27.740 0.241 0.000 2.102 633 C HN 0.380 nan 8.230 nan 0.000 0.479 634 S N 0.137 116.057 115.700 0.366 0.000 2.517 634 S HA 0.143 4.615 4.470 0.004 0.000 0.214 634 S C 0.580 175.183 174.600 0.005 0.000 0.991 634 S CA 0.277 58.565 58.200 0.146 0.000 0.906 634 S CB 0.124 63.332 63.200 0.014 0.000 0.789 634 S HN 0.727 nan 8.310 nan 0.000 0.513 635 S N 0.307 115.962 115.700 -0.076 0.000 2.998 635 S HA 0.848 5.320 4.470 0.004 0.000 0.323 635 S C -1.151 173.310 174.600 -0.233 0.000 1.141 635 S CA 0.106 58.054 58.200 -0.420 0.000 0.873 635 S CB 1.517 64.519 63.200 -0.331 0.000 1.315 635 S HN 0.916 nan 8.310 nan 0.000 0.637 636 S N -0.440 115.115 115.700 -0.241 0.000 2.615 636 S HA 0.300 4.773 4.470 0.004 0.000 0.268 636 S C 0.681 175.322 174.600 0.067 0.000 1.146 636 S CA -0.243 58.007 58.200 0.083 0.000 0.818 636 S CB -0.176 63.246 63.200 0.370 0.000 1.111 636 S HN 1.108 nan 8.310 nan 0.000 0.465 637 I N -1.244 119.277 120.570 -0.082 0.000 2.916 637 I HA 0.040 4.212 4.170 0.004 0.000 0.267 637 I C 1.304 177.274 176.117 -0.246 0.000 1.263 637 I CA 0.937 62.126 61.300 -0.186 0.000 1.471 637 I CB -0.618 37.234 38.000 -0.246 0.000 1.089 637 I HN 0.673 nan 8.210 nan 0.000 0.468 638 Y N 0.020 120.430 120.300 0.183 0.000 2.500 638 Y HA 0.068 4.620 4.550 0.004 0.000 0.270 638 Y C 2.251 178.207 175.900 0.093 0.000 1.134 638 Y CA 0.318 58.480 58.100 0.103 0.000 1.293 638 Y CB -0.534 37.972 38.460 0.076 0.000 1.063 638 Y HN 0.148 nan 8.280 nan 0.000 0.534 639 H N -0.131 119.015 119.070 0.127 0.000 2.387 639 H HA -0.182 4.376 4.556 0.004 0.000 0.299 639 H C 2.166 177.508 175.328 0.024 0.000 1.090 639 H CA 1.787 57.881 56.048 0.077 0.000 1.332 639 H CB -0.076 29.744 29.762 0.096 0.000 1.386 639 H HN 0.254 nan 8.280 nan 0.000 0.516 640 Q N 0.620 120.514 119.800 0.155 0.000 2.061 640 Q HA -0.124 4.218 4.340 0.004 0.000 0.204 640 Q C 1.180 177.186 176.000 0.011 0.000 0.984 640 Q CA 1.832 57.694 55.803 0.098 0.000 0.846 640 Q CB -0.020 28.771 28.738 0.089 0.000 0.902 640 Q HN 0.323 nan 8.270 nan 0.000 0.421 641 N N -0.110 118.590 118.700 0.001 0.000 2.299 641 N HA 0.032 4.774 4.740 0.004 0.000 0.187 641 N C -0.737 174.813 175.510 0.067 0.000 1.099 641 N CA 0.469 53.521 53.050 0.003 0.000 0.867 641 N CB 0.615 39.073 38.487 -0.049 0.000 0.974 641 N HN 0.187 nan 8.380 nan 0.000 0.477 642 D N 0.092 120.523 120.400 0.052 0.000 2.552 642 D HA 0.191 4.833 4.640 0.004 0.000 0.285 642 D C -2.015 174.235 176.300 -0.083 0.000 1.206 642 D CA -1.721 52.350 54.000 0.118 0.000 0.826 642 D CB 1.223 42.163 40.800 0.233 0.000 1.179 642 D HN -0.014 nan 8.370 nan 0.000 0.508 643 P HA -0.027 nan 4.420 nan 0.000 0.229 643 P C 1.405 178.461 177.300 -0.408 0.000 1.160 643 P CA 0.407 63.236 63.100 -0.451 0.000 0.777 643 P CB 0.117 31.427 31.700 -0.650 0.000 0.814 644 W N 0.448 121.708 121.300 -0.065 0.000 2.476 644 W HA 0.035 4.698 4.660 0.004 0.000 0.281 644 W C 0.467 176.937 176.519 -0.081 0.000 1.230 644 W CA 0.745 58.037 57.345 -0.088 0.000 1.287 644 W CB -0.571 28.838 29.460 -0.086 0.000 1.108 644 W HN 0.089 nan 8.180 nan 0.000 0.567 645 D N -0.697 119.789 120.400 0.142 0.000 2.849 645 D HA 0.182 4.825 4.640 0.004 0.000 0.314 645 D C -2.596 173.631 176.300 -0.121 0.000 1.210 645 D CA -1.762 52.268 54.000 0.050 0.000 0.756 645 D CB 0.764 41.665 40.800 0.168 0.000 1.222 645 D HN -0.175 nan 8.370 nan 0.000 0.521 646 P HA 0.316 nan 4.420 nan 0.000 0.276 646 P C -2.021 175.048 177.300 -0.384 0.000 1.261 646 P CA -1.073 61.749 63.100 -0.464 0.000 0.800 646 P CB 0.990 32.140 31.700 -0.916 0.000 1.066 647 P HA 0.037 nan 4.420 nan 0.000 0.236 647 P C -0.064 177.253 177.300 0.028 0.000 1.177 647 P CA 0.703 63.712 63.100 -0.152 0.000 0.773 647 P CB 0.413 32.075 31.700 -0.064 0.000 0.878 648 V N 0.430 120.426 119.914 0.136 0.000 2.623 648 V HA 0.245 4.367 4.120 0.004 0.000 0.304 648 V C -0.422 175.759 176.094 0.145 0.000 1.054 648 V CA -0.768 61.651 62.300 0.199 0.000 0.882 648 V CB 2.927 34.938 31.823 0.313 0.000 1.002 648 V HN -0.342 nan 8.190 nan 0.000 0.424 649 V N 5.160 125.043 119.914 -0.052 0.000 2.349 649 V HA 0.268 4.390 4.120 0.004 0.000 0.284 649 V C 0.674 176.524 176.094 -0.407 0.000 1.014 649 V CA -0.270 61.956 62.300 -0.123 0.000 0.826 649 V CB 1.144 32.904 31.823 -0.104 0.000 1.009 649 V HN 0.870 nan 8.190 nan 0.000 0.431 650 F N 3.577 123.204 119.950 -0.539 0.000 2.154 650 F HA -0.194 4.335 4.527 0.004 0.000 0.301 650 F C 2.126 177.510 175.800 -0.693 0.000 1.087 650 F CA 2.389 59.828 58.000 -0.934 0.000 1.274 650 F CB 0.189 38.895 39.000 -0.489 0.000 1.009 650 F HN 0.668 nan 8.300 nan 0.000 0.485 651 E N 0.479 120.486 120.200 -0.322 0.000 2.171 651 E HA -0.282 4.071 4.350 0.004 0.000 0.197 651 E C 2.041 178.258 176.600 -0.638 0.000 0.997 651 E CA 1.885 58.118 56.400 -0.279 0.000 0.810 651 E CB -0.404 29.266 29.700 -0.049 0.000 0.738 651 E HN 0.643 nan 8.360 nan 0.000 0.467 652 Q N -1.111 118.247 119.800 -0.736 0.000 2.226 652 Q HA -0.125 4.217 4.340 0.004 0.000 0.204 652 Q C 1.563 177.358 176.000 -0.341 0.000 0.975 652 Q CA 0.955 56.265 55.803 -0.822 0.000 0.866 652 Q CB -0.149 28.376 28.738 -0.354 0.000 0.915 652 Q HN 0.362 nan 8.270 nan 0.000 0.440 653 F N 0.222 119.851 119.950 -0.534 0.000 2.333 653 F HA -0.096 4.434 4.527 0.004 0.000 0.300 653 F C 1.761 177.345 175.800 -0.360 0.000 1.083 653 F CA 0.715 58.441 58.000 -0.457 0.000 1.395 653 F CB -0.474 38.112 39.000 -0.690 0.000 1.056 653 F HN 0.070 nan 8.300 nan 0.000 0.529 654 L N -1.847 119.241 121.223 -0.225 0.000 2.477 654 L HA -0.001 4.341 4.340 0.004 0.000 0.220 654 L C 2.175 179.078 176.870 0.056 0.000 1.106 654 L CA 0.276 55.052 54.840 -0.107 0.000 0.851 654 L CB -0.795 41.168 42.059 -0.160 0.000 0.994 654 L HN 0.166 nan 8.230 nan 0.000 0.462 655 H N 1.323 120.380 119.070 -0.021 0.000 2.319 655 H HA -0.171 4.388 4.556 0.004 0.000 0.297 655 H C 1.768 177.100 175.328 0.007 0.000 1.097 655 H CA 1.561 57.608 56.048 -0.003 0.000 1.285 655 H CB 0.073 29.836 29.762 0.002 0.000 1.368 655 H HN 0.502 nan 8.280 nan 0.000 0.495 656 N N 0.763 119.554 118.700 0.152 0.000 2.521 656 N HA -0.136 4.606 4.740 0.004 0.000 0.188 656 N C 0.033 175.606 175.510 0.105 0.000 1.146 656 N CA 0.604 53.714 53.050 0.101 0.000 0.893 656 N CB -0.409 38.129 38.487 0.086 0.000 0.975 656 N HN 0.185 nan 8.380 nan 0.000 0.451 657 N N 0.986 119.754 118.700 0.113 0.000 2.686 657 N HA -0.216 4.526 4.740 0.004 0.000 0.261 657 N C -1.323 174.361 175.510 0.290 0.000 1.001 657 N CA 0.550 53.691 53.050 0.152 0.000 0.764 657 N CB -1.182 37.352 38.487 0.077 0.000 0.898 657 N HN 0.576 nan 8.380 nan 0.000 0.544 658 E N 0.235 120.587 120.200 0.252 0.000 2.374 658 E HA 0.080 4.432 4.350 0.004 0.000 0.260 658 E C 0.488 177.267 176.600 0.298 0.000 1.101 658 E CA -0.736 55.833 56.400 0.282 0.000 0.907 658 E CB 0.451 30.242 29.700 0.150 0.000 1.014 658 E HN 0.341 nan 8.360 nan 0.000 0.427 659 N N 2.352 121.140 118.700 0.146 0.000 2.483 659 N HA -0.010 4.732 4.740 0.004 0.000 0.264 659 N C 0.011 175.425 175.510 -0.160 0.000 1.197 659 N CA 0.263 53.105 53.050 -0.348 0.000 0.927 659 N CB 0.496 38.671 38.487 -0.520 0.000 1.065 659 N HN 0.493 nan 8.380 nan 0.000 0.461 660 I N -0.620 119.839 120.570 -0.186 0.000 3.707 660 I HA 0.359 4.531 4.170 0.004 0.000 0.330 660 I C -0.645 175.451 176.117 -0.035 0.000 1.572 660 I CA -0.607 60.670 61.300 -0.038 0.000 1.104 660 I CB 0.145 38.178 38.000 0.055 0.000 1.240 660 I HN 0.216 nan 8.210 nan 0.000 0.475 661 E N 2.242 122.371 120.200 -0.119 0.000 2.229 661 E HA 0.285 4.637 4.350 0.004 0.000 0.283 661 E C -0.381 176.197 176.600 -0.036 0.000 1.030 661 E CA -0.665 55.691 56.400 -0.074 0.000 0.836 661 E CB 0.372 29.995 29.700 -0.129 0.000 1.068 661 E HN 0.244 nan 8.360 nan 0.000 0.401 662 N N 2.687 121.389 118.700 0.003 0.000 2.667 662 N HA -0.203 4.540 4.740 0.004 0.000 0.263 662 N C -0.730 174.788 175.510 0.013 0.000 1.038 662 N CA 1.066 54.123 53.050 0.012 0.000 0.749 662 N CB -0.600 37.885 38.487 -0.003 0.000 0.892 662 N HN 0.544 nan 8.380 nan 0.000 0.546 663 E N 0.296 120.516 120.200 0.033 0.000 2.416 663 E HA 0.336 4.688 4.350 0.004 0.000 0.273 663 E C -1.390 175.243 176.600 0.055 0.000 0.935 663 E CA -0.752 55.671 56.400 0.038 0.000 0.784 663 E CB 1.044 30.767 29.700 0.039 0.000 1.301 663 E HN 0.093 nan 8.360 nan 0.000 0.454 664 D N 1.978 122.405 120.400 0.046 0.000 2.342 664 D HA 0.187 4.829 4.640 0.004 0.000 0.260 664 D C -0.650 175.712 176.300 0.104 0.000 1.278 664 D CA 0.140 54.161 54.000 0.035 0.000 0.910 664 D CB -0.117 40.664 40.800 -0.033 0.000 1.079 664 D HN 0.329 nan 8.370 nan 0.000 0.496 665 L N 2.819 124.106 121.223 0.107 0.000 2.334 665 L HA 0.535 4.877 4.340 0.004 0.000 0.275 665 L C -0.161 176.754 176.870 0.075 0.000 1.036 665 L CA -1.228 53.697 54.840 0.140 0.000 0.807 665 L CB 1.953 44.147 42.059 0.225 0.000 1.231 665 L HN 0.041 nan 8.230 nan 0.000 0.438 666 V N 1.486 121.438 119.914 0.063 0.000 2.444 666 V HA 0.562 4.684 4.120 0.004 0.000 0.294 666 V C 0.184 176.176 176.094 -0.170 0.000 1.022 666 V CA -0.649 61.567 62.300 -0.140 0.000 0.850 666 V CB 1.604 33.304 31.823 -0.205 0.000 0.992 666 V HN 0.870 nan 8.190 nan 0.000 0.426 667 A N 4.631 127.237 122.820 -0.357 0.000 2.331 667 A HA 0.752 5.075 4.320 0.004 0.000 0.283 667 A C -1.264 176.115 177.584 -0.341 0.000 1.142 667 A CA -0.263 51.617 52.037 -0.262 0.000 0.812 667 A CB 0.373 19.065 19.000 -0.513 0.000 1.074 667 A HN 0.813 nan 8.150 nan 0.000 0.497 668 W N 1.445 122.708 121.300 -0.063 0.000 2.656 668 W HA 0.553 5.215 4.660 0.004 0.000 0.327 668 W C -0.908 175.522 176.519 -0.149 0.000 1.041 668 W CA -0.534 56.722 57.345 -0.150 0.000 1.229 668 W CB 2.015 31.489 29.460 0.024 0.000 1.397 668 W HN 0.421 nan 8.180 nan 0.000 0.479 669 V N 2.792 122.657 119.914 -0.081 0.000 2.487 669 V HA 0.518 4.640 4.120 0.004 0.000 0.298 669 V C -0.220 176.002 176.094 0.214 0.000 1.028 669 V CA -0.816 61.478 62.300 -0.009 0.000 0.860 669 V CB 1.778 33.414 31.823 -0.312 0.000 0.991 669 V HN 0.497 nan 8.190 nan 0.000 0.427 670 T N 4.864 119.638 114.554 0.367 0.000 2.795 670 T HA 0.661 5.013 4.350 0.004 0.000 0.282 670 T C -0.218 174.744 174.700 0.436 0.000 0.980 670 T CA -0.336 62.073 62.100 0.516 0.000 1.012 670 T CB 1.393 70.631 68.868 0.616 0.000 0.936 670 T HN 0.757 nan 8.240 nan 0.000 0.457 671 V N 0.481 120.665 119.914 0.450 0.000 3.102 671 V HA 1.116 5.238 4.120 0.004 0.000 0.312 671 V C 0.066 176.379 176.094 0.364 0.000 1.135 671 V CA -0.492 62.041 62.300 0.389 0.000 1.022 671 V CB 1.615 33.666 31.823 0.381 0.000 1.056 671 V HN 1.133 nan 8.190 nan 0.000 0.436 672 G N 1.023 110.008 108.800 0.308 0.000 2.323 672 G HA2 0.656 4.618 3.960 0.004 0.000 0.291 672 G HA3 0.656 4.618 3.960 0.004 0.000 0.291 672 G C -1.550 173.544 174.900 0.324 0.000 1.278 672 G CA -0.025 45.239 45.100 0.273 0.000 0.860 672 G HN 2.237 nan 8.290 nan 0.000 0.504 673 F N -1.923 118.079 119.950 0.086 0.000 2.688 673 F HA 0.711 5.240 4.527 0.004 0.000 0.308 673 F C -1.111 174.704 175.800 0.025 0.000 1.117 673 F CA -1.389 56.627 58.000 0.027 0.000 0.976 673 F CB 1.281 40.281 39.000 -0.000 0.000 1.291 673 F HN 0.648 nan 8.300 nan 0.000 0.439 674 L N 3.594 124.873 121.223 0.094 0.000 2.455 674 L HA 0.290 4.633 4.340 0.004 0.000 0.272 674 L C -0.508 176.453 176.870 0.152 0.000 1.174 674 L CA 0.484 55.322 54.840 -0.004 0.000 0.869 674 L CB 0.094 42.148 42.059 -0.007 0.000 1.130 674 L HN 0.861 nan 8.230 nan 0.000 0.474 675 H N 5.903 124.839 119.070 -0.223 0.000 2.685 675 H HA 0.409 4.967 4.556 0.004 0.000 0.307 675 H C -0.841 174.367 175.328 -0.199 0.000 1.017 675 H CA -0.971 54.989 56.048 -0.147 0.000 1.237 675 H CB 0.771 30.374 29.762 -0.265 0.000 1.409 675 H HN 0.637 nan 8.280 nan 0.000 0.488 676 I N 8.367 129.057 120.570 0.200 0.000 2.291 676 I HA 0.194 4.366 4.170 0.004 0.000 0.290 676 I C -2.150 174.125 176.117 0.262 0.000 1.050 676 I CA -2.022 59.352 61.300 0.122 0.000 1.245 676 I CB 1.148 39.209 38.000 0.102 0.000 1.405 676 I HN 0.483 nan 8.210 nan 0.000 0.478 677 P HA 0.100 nan 4.420 nan 0.000 0.269 677 P C -1.220 176.221 177.300 0.236 0.000 1.215 677 P CA 0.217 63.388 63.100 0.118 0.000 0.780 677 P CB 0.374 32.064 31.700 -0.018 0.000 0.898 678 H N -3.080 116.070 119.070 0.133 0.000 2.977 678 H HA 0.454 5.012 4.556 0.004 0.000 0.350 678 H C 0.945 176.311 175.328 0.064 0.000 1.238 678 H CA -0.865 55.228 56.048 0.076 0.000 1.124 678 H CB 0.514 30.316 29.762 0.067 0.000 1.866 678 H HN 0.199 nan 8.280 nan 0.000 0.550 679 S N 0.014 115.773 115.700 0.099 0.000 2.400 679 S HA -0.229 4.243 4.470 0.004 0.000 0.232 679 S C 1.173 175.780 174.600 0.010 0.000 1.025 679 S CA 1.558 59.775 58.200 0.029 0.000 0.993 679 S CB -0.506 62.705 63.200 0.019 0.000 0.808 679 S HN 0.711 nan 8.310 nan 0.000 0.478 680 E N 1.628 121.857 120.200 0.047 0.000 2.333 680 E HA -0.049 4.304 4.350 0.004 0.000 0.198 680 E C 1.145 177.686 176.600 -0.097 0.000 1.007 680 E CA 0.936 57.349 56.400 0.021 0.000 0.845 680 E CB -0.310 29.481 29.700 0.152 0.000 0.766 680 E HN 0.545 nan 8.360 nan 0.000 0.507 681 D N -0.027 120.239 120.400 -0.222 0.000 2.378 681 D HA -0.060 4.582 4.640 0.004 0.000 0.227 681 D C 0.020 176.276 176.300 -0.073 0.000 1.012 681 D CA 0.528 54.435 54.000 -0.155 0.000 0.905 681 D CB 0.198 40.927 40.800 -0.119 0.000 0.895 681 D HN 0.139 nan 8.370 nan 0.000 0.532 682 I N 2.287 122.834 120.570 -0.038 0.000 2.336 682 I HA 0.096 4.268 4.170 0.004 0.000 0.292 682 I C -1.145 174.948 176.117 -0.041 0.000 0.991 682 I CA -1.995 59.312 61.300 0.013 0.000 1.227 682 I CB 1.384 39.448 38.000 0.106 0.000 1.366 682 I HN -0.223 nan 8.210 nan 0.000 0.466 683 P HA 0.023 nan 4.420 nan 0.000 0.224 683 P C 0.062 177.150 177.300 -0.352 0.000 1.157 683 P CA 0.750 63.748 63.100 -0.170 0.000 0.799 683 P CB 0.857 32.366 31.700 -0.317 0.000 0.809 684 N N -0.616 117.847 118.700 -0.394 0.000 2.240 684 N HA 0.226 4.968 4.740 0.004 0.000 0.302 684 N C -0.475 174.922 175.510 -0.189 0.000 1.106 684 N CA -0.458 52.362 53.050 -0.383 0.000 0.778 684 N CB 2.108 40.348 38.487 -0.412 0.000 1.431 684 N HN -0.110 nan 8.380 nan 0.000 0.479 685 T N -0.517 113.966 114.554 -0.120 0.000 2.930 685 T HA 0.448 4.800 4.350 0.004 0.000 0.306 685 T C 0.219 174.864 174.700 -0.092 0.000 1.045 685 T CA -0.683 61.376 62.100 -0.067 0.000 1.134 685 T CB 1.011 69.891 68.868 0.020 0.000 0.961 685 T HN 0.450 nan 8.240 nan 0.000 0.545 686 A N 2.517 125.288 122.820 -0.081 0.000 2.294 686 A HA 0.649 4.971 4.320 0.004 0.000 0.330 686 A C 1.537 179.075 177.584 -0.078 0.000 1.133 686 A CA -0.298 51.696 52.037 -0.071 0.000 0.836 686 A CB 0.850 19.821 19.000 -0.049 0.000 1.190 686 A HN 1.094 nan 8.150 nan 0.000 0.492 687 T N -1.861 112.650 114.554 -0.072 0.000 2.985 687 T HA 0.094 4.447 4.350 0.004 0.000 0.266 687 T C -1.593 173.079 174.700 -0.046 0.000 1.076 687 T CA 0.213 62.279 62.100 -0.058 0.000 1.135 687 T CB -1.385 67.438 68.868 -0.076 0.000 0.890 687 T HN 0.418 nan 8.240 nan 0.000 0.480 688 P HA 0.318 nan 4.420 nan 0.000 0.262 688 P C 1.084 178.339 177.300 -0.075 0.000 1.199 688 P CA 1.161 64.233 63.100 -0.046 0.000 0.763 688 P CB 0.093 31.770 31.700 -0.038 0.000 0.790 689 G N 3.328 112.079 108.800 -0.081 0.000 2.189 689 G HA2 -0.269 3.694 3.960 0.004 0.000 0.267 689 G HA3 -0.269 3.694 3.960 0.004 0.000 0.267 689 G C 0.517 175.259 174.900 -0.263 0.000 0.975 689 G CA -0.216 44.808 45.100 -0.127 0.000 0.644 689 G HN 0.551 nan 8.290 nan 0.000 0.537 690 N N 0.792 119.325 118.700 -0.279 0.000 2.761 690 N HA 0.416 5.158 4.740 0.004 0.000 0.317 690 N C 0.003 175.289 175.510 -0.372 0.000 1.546 690 N CA 0.675 53.418 53.050 -0.511 0.000 1.015 690 N CB 0.865 39.134 38.487 -0.364 0.000 1.343 690 N HN 0.747 nan 8.380 nan 0.000 0.504 691 S N -1.358 114.166 115.700 -0.293 0.000 2.569 691 S HA 0.846 5.318 4.470 0.004 0.000 0.280 691 S C -0.267 174.289 174.600 -0.072 0.000 1.111 691 S CA -0.675 57.401 58.200 -0.207 0.000 0.887 691 S CB 2.202 65.211 63.200 -0.318 0.000 1.095 691 S HN -0.050 nan 8.310 nan 0.000 0.476 692 V N -1.909 118.005 119.914 0.000 0.000 3.206 692 V HA 1.073 5.195 4.120 0.004 0.000 0.305 692 V C 0.343 176.511 176.094 0.124 0.000 1.257 692 V CA -0.007 62.365 62.300 0.119 0.000 1.057 692 V CB 0.970 32.893 31.823 0.166 0.000 1.075 692 V HN 1.895 nan 8.190 nan 0.000 0.443 693 G N 0.432 109.341 108.800 0.182 0.000 2.441 693 G HA2 0.605 4.567 3.960 0.004 0.000 0.222 693 G HA3 0.605 4.567 3.960 0.004 0.000 0.222 693 G C -1.470 173.544 174.900 0.189 0.000 1.254 693 G CA 0.173 45.330 45.100 0.094 0.000 0.959 693 G HN 2.264 nan 8.290 nan 0.000 0.474 694 F N -1.791 118.099 119.950 -0.100 0.000 2.713 694 F HA 0.871 5.400 4.527 0.003 0.000 0.311 694 F C -1.822 173.919 175.800 -0.097 0.000 1.141 694 F CA -1.422 56.532 58.000 -0.077 0.000 0.939 694 F CB 1.131 40.070 39.000 -0.102 0.000 1.325 694 F HN 0.511 nan 8.300 nan 0.000 0.453 695 L N 2.395 123.701 121.223 0.138 0.000 2.346 695 L HA 0.666 5.008 4.340 0.004 0.000 0.274 695 L C -0.925 176.057 176.870 0.186 0.000 1.007 695 L CA -0.595 54.272 54.840 0.046 0.000 0.818 695 L CB 2.012 44.061 42.059 -0.016 0.000 1.284 695 L HN 0.638 nan 8.230 nan 0.000 0.424 696 L N 3.527 124.854 121.223 0.172 0.000 2.305 696 L HA 0.685 5.027 4.340 0.004 0.000 0.284 696 L C -0.363 176.701 176.870 0.323 0.000 1.013 696 L CA -0.635 54.372 54.840 0.279 0.000 0.819 696 L CB 1.347 43.560 42.059 0.257 0.000 1.227 696 L HN 0.665 nan 8.230 nan 0.000 0.417 697 R N 3.518 124.148 120.500 0.217 0.000 2.621 697 R HA 0.650 4.992 4.340 0.004 0.000 0.292 697 R C -2.987 173.041 176.300 -0.453 0.000 0.969 697 R CA -1.917 54.168 56.100 -0.025 0.000 0.887 697 R CB 1.857 32.138 30.300 -0.032 0.000 1.180 697 R HN 0.158 nan 8.270 nan 0.000 0.450 698 P HA 0.049 nan 4.420 nan 0.000 0.271 698 P C -1.299 175.868 177.300 -0.221 0.000 1.216 698 P CA -0.022 62.450 63.100 -1.048 0.000 0.776 698 P CB 0.417 31.752 31.700 -0.607 0.000 0.881 699 F N 3.897 123.712 119.950 -0.225 0.000 2.902 699 F HA 0.297 4.826 4.527 0.004 0.000 0.368 699 F C 0.214 176.029 175.800 0.025 0.000 1.202 699 F CA -0.372 57.606 58.000 -0.037 0.000 1.109 699 F CB 0.388 39.406 39.000 0.031 0.000 1.418 699 F HN 0.288 nan 8.300 nan 0.000 0.527 700 N N 3.677 122.217 118.700 -0.265 0.000 2.741 700 N HA -0.315 4.427 4.740 0.004 0.000 0.251 700 N C 0.651 176.160 175.510 -0.001 0.000 1.112 700 N CA 1.469 54.440 53.050 -0.131 0.000 0.750 700 N CB -1.738 36.657 38.487 -0.154 0.000 1.119 700 N HN 0.698 nan 8.380 nan 0.000 0.561 701 F N 0.100 119.941 119.950 -0.182 0.000 2.149 701 F HA 0.200 4.729 4.527 0.003 0.000 0.294 701 F C 0.780 176.322 175.800 -0.430 0.000 1.095 701 F CA 0.936 58.727 58.000 -0.348 0.000 1.276 701 F CB 0.192 38.843 39.000 -0.583 0.000 1.023 701 F HN -0.027 nan 8.300 nan 0.000 0.480 702 F N 0.153 120.219 119.950 0.193 0.000 2.440 702 F HA 0.350 4.879 4.527 0.004 0.000 0.328 702 F C -1.251 174.590 175.800 0.068 0.000 1.070 702 F CA -2.151 55.917 58.000 0.114 0.000 1.011 702 F CB 0.041 39.126 39.000 0.142 0.000 1.226 702 F HN -0.284 nan 8.300 nan 0.000 0.491 703 P HA -0.075 nan 4.420 nan 0.000 0.220 703 P C -0.804 176.718 177.300 0.371 0.000 1.148 703 P CA 1.235 64.475 63.100 0.233 0.000 0.803 703 P CB 0.127 31.895 31.700 0.113 0.000 0.782 704 E N -2.694 117.653 120.200 0.245 0.000 2.415 704 E HA 0.210 4.562 4.350 0.004 0.000 0.271 704 E C -1.309 175.339 176.600 0.079 0.000 1.094 704 E CA -0.997 55.491 56.400 0.147 0.000 0.881 704 E CB -0.219 29.548 29.700 0.113 0.000 1.581 704 E HN -0.328 nan 8.360 nan 0.000 0.460 705 D N 1.890 122.297 120.400 0.011 0.000 2.554 705 D HA -0.016 4.626 4.640 0.004 0.000 0.251 705 D C -1.171 175.067 176.300 -0.104 0.000 1.213 705 D CA -1.393 52.580 54.000 -0.045 0.000 0.900 705 D CB 0.856 41.627 40.800 -0.048 0.000 1.135 705 D HN 0.185 nan 8.370 nan 0.000 0.522 706 P HA -0.124 nan 4.420 nan 0.000 0.230 706 P C 0.983 178.193 177.300 -0.149 0.000 1.158 706 P CA 0.632 63.514 63.100 -0.363 0.000 0.769 706 P CB -0.008 31.069 31.700 -1.037 0.000 0.807 707 S N -0.880 114.756 115.700 -0.106 0.000 2.607 707 S HA 0.012 4.484 4.470 0.004 0.000 0.224 707 S C 1.847 176.413 174.600 -0.058 0.000 0.969 707 S CA 0.073 58.253 58.200 -0.034 0.000 0.927 707 S CB -1.432 61.767 63.200 -0.002 0.000 0.772 707 S HN 0.062 nan 8.310 nan 0.000 0.533 708 L N 0.750 121.925 121.223 -0.080 0.000 2.261 708 L HA -0.034 4.308 4.340 0.004 0.000 0.216 708 L C 2.900 179.691 176.870 -0.132 0.000 1.114 708 L CA 1.087 55.864 54.840 -0.105 0.000 0.777 708 L CB -0.609 41.395 42.059 -0.092 0.000 0.910 708 L HN 0.526 nan 8.230 nan 0.000 0.440 709 A N -1.144 121.612 122.820 -0.106 0.000 2.168 709 A HA -0.059 4.263 4.320 0.004 0.000 0.215 709 A C 1.465 178.980 177.584 -0.115 0.000 1.152 709 A CA 0.375 52.343 52.037 -0.114 0.000 0.716 709 A CB -0.260 18.682 19.000 -0.097 0.000 0.794 709 A HN 0.289 nan 8.150 nan 0.000 0.465 710 S N 0.054 115.697 115.700 -0.095 0.000 2.537 710 S HA 0.155 4.627 4.470 0.004 0.000 0.286 710 S C 0.927 175.473 174.600 -0.090 0.000 1.299 710 S CA -0.462 57.698 58.200 -0.067 0.000 1.067 710 S CB 0.208 63.393 63.200 -0.025 0.000 0.864 710 S HN 0.389 nan 8.310 nan 0.000 0.494 711 R N 2.983 123.459 120.500 -0.039 0.000 2.334 711 R HA 0.154 4.496 4.340 0.004 0.000 0.220 711 R C 0.454 176.830 176.300 0.128 0.000 0.917 711 R CA 0.079 56.189 56.100 0.015 0.000 1.073 711 R CB -0.485 29.861 30.300 0.077 0.000 1.056 711 R HN 0.639 nan 8.270 nan 0.000 0.506 712 D N 0.363 120.817 120.400 0.090 0.000 2.347 712 D HA -0.024 4.618 4.640 0.004 0.000 0.215 712 D C 0.032 176.426 176.300 0.156 0.000 0.976 712 D CA 0.550 54.625 54.000 0.125 0.000 0.884 712 D CB 0.137 40.998 40.800 0.102 0.000 0.915 712 D HN -0.002 nan 8.370 nan 0.000 0.526 713 T N 1.001 115.631 114.554 0.126 0.000 2.934 713 T HA 0.159 4.511 4.350 0.004 0.000 0.306 713 T C 0.342 175.233 174.700 0.319 0.000 1.042 713 T CA 0.062 62.246 62.100 0.140 0.000 1.145 713 T CB 1.539 70.403 68.868 -0.007 0.000 0.982 713 T HN -0.242 nan 8.240 nan 0.000 0.544 714 V N 4.756 124.822 119.914 0.252 0.000 2.604 714 V HA 0.534 4.656 4.120 0.004 0.000 0.305 714 V C -0.136 176.074 176.094 0.194 0.000 1.043 714 V CA -0.816 61.637 62.300 0.255 0.000 0.888 714 V CB 1.761 33.700 31.823 0.195 0.000 0.995 714 V HN 0.740 nan 8.190 nan 0.000 0.429 715 I N 4.518 125.175 120.570 0.145 0.000 2.447 715 I HA 0.498 4.670 4.170 0.004 0.000 0.287 715 I C -0.728 175.276 176.117 -0.188 0.000 1.023 715 I CA -0.903 60.355 61.300 -0.071 0.000 1.083 715 I CB 2.110 40.016 38.000 -0.156 0.000 1.245 715 I HN 0.238 nan 8.210 nan 0.000 0.434 716 V N 5.181 125.030 119.914 -0.108 0.000 2.394 716 V HA 0.349 4.471 4.120 0.004 0.000 0.282 716 V C -0.964 175.048 176.094 -0.137 0.000 1.031 716 V CA -0.397 61.916 62.300 0.021 0.000 0.881 716 V CB 1.028 33.019 31.823 0.281 0.000 0.982 716 V HN 0.587 nan 8.190 nan 0.000 0.451 717 W N 6.033 127.383 121.300 0.083 0.000 2.632 717 W HA 0.573 5.234 4.660 0.003 0.000 0.328 717 W C -2.305 174.199 176.519 -0.025 0.000 1.044 717 W CA -2.298 55.020 57.345 -0.046 0.000 1.225 717 W CB 1.443 30.939 29.460 0.059 0.000 1.396 717 W HN 0.301 nan 8.180 nan 0.000 0.499 718 P HA 0.333 nan 4.420 nan 0.000 0.274 718 P C -0.793 176.594 177.300 0.146 0.000 1.237 718 P CA -0.271 62.897 63.100 0.113 0.000 0.793 718 P CB 1.293 32.980 31.700 -0.021 0.000 0.977 719 R N 0.775 121.361 120.500 0.143 0.000 2.628 719 R HA 0.335 4.677 4.340 0.004 0.000 0.288 719 R C -0.799 175.546 176.300 0.075 0.000 0.980 719 R CA -0.744 55.413 56.100 0.095 0.000 0.891 719 R CB 1.097 31.453 30.300 0.093 0.000 1.188 719 R HN 0.361 nan 8.270 nan 0.000 0.450 720 D N 3.237 123.666 120.400 0.048 0.000 2.434 720 D HA 0.013 4.655 4.640 0.004 0.000 0.252 720 D C 0.078 176.401 176.300 0.038 0.000 1.185 720 D CA 0.758 54.783 54.000 0.041 0.000 0.886 720 D CB 0.313 41.129 40.800 0.026 0.000 1.148 720 D HN 0.481 nan 8.370 nan 0.000 0.483 721 N N 1.151 119.877 118.700 0.043 0.000 2.747 721 N HA -0.152 4.590 4.740 0.004 0.000 0.249 721 N C 0.268 175.801 175.510 0.039 0.000 1.107 721 N CA 1.267 54.339 53.050 0.036 0.000 0.707 721 N CB -1.191 37.311 38.487 0.025 0.000 1.054 721 N HN 0.580 nan 8.380 nan 0.000 0.555 722 G N -0.659 108.172 108.800 0.053 0.000 2.682 722 G HA2 0.683 4.646 3.960 0.004 0.000 0.290 722 G HA3 0.683 4.646 3.960 0.004 0.000 0.290 722 G C -2.940 172.007 174.900 0.079 0.000 1.425 722 G CA -0.774 44.359 45.100 0.056 0.000 0.807 722 G HN -0.059 nan 8.290 nan 0.000 0.482 723 P HA 0.224 nan 4.420 nan 0.000 0.272 723 P C -0.356 177.031 177.300 0.144 0.000 1.240 723 P CA -0.676 62.484 63.100 0.100 0.000 0.791 723 P CB 0.516 32.265 31.700 0.082 0.000 0.978 724 N N 0.207 119.014 118.700 0.179 0.000 2.453 724 N HA -0.003 4.739 4.740 0.004 0.000 0.253 724 N C -0.508 175.166 175.510 0.273 0.000 1.252 724 N CA 0.042 53.243 53.050 0.252 0.000 0.917 724 N CB -0.070 38.601 38.487 0.308 0.000 1.117 724 N HN 0.439 nan 8.380 nan 0.000 0.442 725 Y N 1.368 121.778 120.300 0.184 0.000 2.425 725 Y HA 0.247 4.799 4.550 0.003 0.000 0.347 725 Y C -0.535 175.499 175.900 0.223 0.000 0.976 725 Y CA -0.835 57.362 58.100 0.162 0.000 1.190 725 Y CB 0.312 38.849 38.460 0.128 0.000 1.136 725 Y HN 0.149 nan 8.280 nan 0.000 0.517 726 V N 8.044 127.871 119.914 -0.145 0.000 2.356 726 V HA 0.125 4.247 4.120 0.004 0.000 0.258 726 V C 0.118 175.857 176.094 -0.592 0.000 1.065 726 V CA -0.452 61.706 62.300 -0.236 0.000 0.935 726 V CB 0.474 32.259 31.823 -0.063 0.000 1.061 726 V HN 0.741 nan 8.190 nan 0.000 0.484 727 Q N 5.558 124.937 119.800 -0.702 0.000 2.295 727 Q HA 0.409 4.751 4.340 0.004 0.000 0.259 727 Q C -0.228 175.437 176.000 -0.558 0.000 0.976 727 Q CA -0.126 55.212 55.803 -0.775 0.000 0.923 727 Q CB 0.673 29.157 28.738 -0.424 0.000 1.185 727 Q HN 0.666 nan 8.270 nan 0.000 0.410 728 R N 2.714 122.839 120.500 -0.625 0.000 2.854 728 R HA 0.370 4.713 4.340 0.004 0.000 0.271 728 R C -0.157 175.788 176.300 -0.591 0.000 0.994 728 R CA -0.541 55.341 56.100 -0.363 0.000 0.945 728 R CB 1.292 31.513 30.300 -0.132 0.000 1.194 728 R HN 0.768 nan 8.270 nan 0.000 0.476 729 W N 1.070 122.388 121.300 0.029 0.000 2.714 729 W HA 0.369 5.030 4.660 0.003 0.000 0.353 729 W C -0.217 176.311 176.519 0.015 0.000 0.999 729 W CA 0.035 57.396 57.345 0.027 0.000 1.629 729 W CB 0.829 30.303 29.460 0.024 0.000 1.106 729 W HN 0.284 nan 8.180 nan 0.000 0.545 730 I N 2.031 122.707 120.570 0.176 0.000 2.619 730 I HA 0.241 4.414 4.170 0.004 0.000 0.292 730 I C -1.990 174.154 176.117 0.046 0.000 1.100 730 I CA -1.951 59.403 61.300 0.090 0.000 1.043 730 I CB 2.653 40.700 38.000 0.079 0.000 1.239 730 I HN -0.456 nan 8.210 nan 0.000 0.420 731 P HA 0.034 nan 4.420 nan 0.000 0.269 731 P C -0.503 176.814 177.300 0.028 0.000 1.215 731 P CA -0.157 62.952 63.100 0.016 0.000 0.780 731 P CB 0.625 32.334 31.700 0.013 0.000 0.898 732 E N 1.093 121.314 120.200 0.035 0.000 2.452 732 E HA -0.052 4.300 4.350 0.004 0.000 0.261 732 E C -0.509 176.132 176.600 0.069 0.000 0.987 732 E CA -0.003 56.427 56.400 0.050 0.000 0.926 732 E CB 0.209 29.934 29.700 0.043 0.000 0.934 732 E HN 0.360 nan 8.360 nan 0.000 0.452 733 D N 3.074 123.530 120.400 0.094 0.000 2.256 733 D HA 0.212 4.854 4.640 0.004 0.000 0.240 733 D C -0.268 176.098 176.300 0.111 0.000 1.062 733 D CA -0.449 53.640 54.000 0.149 0.000 0.832 733 D CB 0.815 41.764 40.800 0.248 0.000 1.135 733 D HN 0.416 nan 8.370 nan 0.000 0.484 734 R N 2.301 122.856 120.500 0.092 0.000 2.566 734 R HA 0.209 4.551 4.340 0.004 0.000 0.388 734 R C -0.491 175.831 176.300 0.035 0.000 0.989 734 R CA -0.594 55.540 56.100 0.057 0.000 1.164 734 R CB 0.445 30.770 30.300 0.042 0.000 1.459 734 R HN 0.412 nan 8.270 nan 0.000 0.553 735 D N 0.470 120.889 120.400 0.031 0.000 2.406 735 D HA -0.010 4.632 4.640 0.004 0.000 0.234 735 D C -0.182 176.088 176.300 -0.050 0.000 1.196 735 D CA 0.482 54.464 54.000 -0.030 0.000 0.881 735 D CB 0.665 41.392 40.800 -0.122 0.000 1.205 735 D HN 0.054 nan 8.370 nan 0.000 0.453 736 C N 0.632 119.901 119.300 -0.052 0.000 2.707 736 C HA 0.790 5.252 4.460 0.004 0.000 0.313 736 C C -0.177 174.783 174.990 -0.049 0.000 1.209 736 C CA -0.330 58.664 59.018 -0.040 0.000 1.635 736 C CB 0.825 28.555 27.740 -0.017 0.000 2.206 736 C HN 0.761 nan 8.230 nan 0.000 0.485 737 S N 2.229 117.907 115.700 -0.037 0.000 2.656 737 S HA 0.817 5.289 4.470 0.004 0.000 0.273 737 S C -1.361 173.234 174.600 -0.009 0.000 1.168 737 S CA -0.807 57.376 58.200 -0.028 0.000 0.817 737 S CB 1.223 64.398 63.200 -0.041 0.000 1.146 737 S HN 0.669 nan 8.310 nan 0.000 0.475 738 M N 1.757 121.357 119.600 0.001 0.000 2.457 738 M HA 0.544 5.026 4.480 0.004 0.000 0.300 738 M C -2.638 173.674 176.300 0.021 0.000 1.141 738 M CA -1.613 53.694 55.300 0.012 0.000 0.901 738 M CB 2.090 34.697 32.600 0.012 0.000 1.687 738 M HN 0.673 nan 8.290 nan 0.000 0.449 739 P HA 0.484 nan 4.420 nan 0.000 0.276 739 P C -2.770 174.555 177.300 0.042 0.000 1.252 739 P CA -1.001 62.126 63.100 0.046 0.000 0.802 739 P CB -0.596 31.140 31.700 0.061 0.000 1.035 740 P HA 0.275 nan 4.420 nan 0.000 0.272 740 P C -2.361 174.962 177.300 0.038 0.000 1.230 740 P CA -1.028 62.090 63.100 0.029 0.000 0.788 740 P CB -1.343 30.366 31.700 0.014 0.000 0.949 741 P HA 0.045 nan 4.420 nan 0.000 0.267 741 P C -0.359 176.990 177.300 0.081 0.000 1.200 741 P CA -0.079 63.062 63.100 0.069 0.000 0.772 741 P CB 0.128 31.860 31.700 0.053 0.000 0.855 742 F N 2.514 122.456 119.950 -0.013 0.000 2.578 742 F HA 0.219 4.748 4.527 0.004 0.000 0.376 742 F C 0.455 176.250 175.800 -0.009 0.000 1.085 742 F CA 0.778 58.767 58.000 -0.018 0.000 1.260 742 F CB 0.295 39.285 39.000 -0.017 0.000 1.095 742 F HN 0.361 nan 8.300 nan 0.000 0.573 743 S N 5.365 120.638 115.700 -0.712 0.000 2.627 743 S HA 0.662 5.134 4.470 0.004 0.000 0.283 743 S C -1.634 172.521 174.600 -0.743 0.000 1.127 743 S CA -0.764 57.132 58.200 -0.507 0.000 0.863 743 S CB 2.087 65.141 63.200 -0.245 0.000 1.121 743 S HN 0.764 nan 8.310 nan 0.000 0.479 744 Y N 0.999 121.039 120.300 -0.432 0.000 2.436 744 Y HA 0.442 4.995 4.550 0.004 0.000 0.327 744 Y C 0.321 176.158 175.900 -0.105 0.000 1.138 744 Y CA -0.706 57.229 58.100 -0.276 0.000 1.042 744 Y CB 1.808 40.202 38.460 -0.110 0.000 1.302 744 Y HN 0.866 nan 8.280 nan 0.000 0.439 745 N N 2.380 120.794 118.700 -0.475 0.000 2.414 745 N HA 0.085 4.827 4.740 0.004 0.000 0.189 745 N C 1.315 176.739 175.510 -0.145 0.000 1.039 745 N CA 1.573 54.479 53.050 -0.239 0.000 0.889 745 N CB 0.423 38.776 38.487 -0.223 0.000 1.085 745 N HN 1.127 nan 8.380 nan 0.000 0.442 746 G N 0.382 109.023 108.800 -0.265 0.000 2.199 746 G HA2 -0.257 3.705 3.960 0.004 0.000 0.254 746 G HA3 -0.257 3.705 3.960 0.004 0.000 0.254 746 G C 0.299 175.249 174.900 0.084 0.000 0.982 746 G CA 1.122 46.237 45.100 0.025 0.000 0.632 746 G HN 0.740 nan 8.290 nan 0.000 0.529 747 T N -1.223 113.335 114.554 0.006 0.000 2.945 747 T HA 0.738 5.090 4.350 0.004 0.000 0.286 747 T C -0.503 174.206 174.700 0.015 0.000 1.025 747 T CA -0.233 61.831 62.100 -0.060 0.000 1.039 747 T CB 2.002 70.795 68.868 -0.125 0.000 1.068 747 T HN 1.354 nan 8.240 nan 0.000 0.497 748 Y N -0.144 120.066 120.300 -0.151 0.000 2.307 748 Y HA 0.815 5.367 4.550 0.004 0.000 0.323 748 Y C -0.552 175.240 175.900 -0.181 0.000 1.100 748 Y CA -1.353 56.578 58.100 -0.283 0.000 1.140 748 Y CB 1.258 39.335 38.460 -0.639 0.000 1.159 748 Y HN 0.579 nan 8.280 nan 0.000 0.436 749 R N 1.952 122.413 120.500 -0.065 0.000 2.764 749 R HA 0.530 4.872 4.340 0.004 0.000 0.270 749 R C -3.262 173.086 176.300 0.080 0.000 1.014 749 R CA -2.339 53.741 56.100 -0.033 0.000 0.904 749 R CB 1.856 32.120 30.300 -0.060 0.000 1.236 749 R HN 0.408 nan 8.270 nan 0.000 0.466 750 P HA 0.150 nan 4.420 nan 0.000 0.269 750 P C -0.378 177.031 177.300 0.180 0.000 1.215 750 P CA -0.212 63.007 63.100 0.198 0.000 0.780 750 P CB 0.622 32.406 31.700 0.139 0.000 0.898 751 V N 0.000 120.079 119.914 0.275 0.000 2.409 751 V HA 0.000 4.122 4.120 0.004 0.000 0.244 751 V CA 0.000 62.407 62.300 0.179 0.000 1.235 751 V CB 0.000 31.965 31.823 0.237 0.000 1.184 751 V HN 0.000 nan 8.190 nan 0.000 0.556