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 3k4k_1_A DATA FIRST_RESID 44 DATA SEQUENCE DIKYDVVIVG SGPIGCTYAR ELVGAGYKVA MFDIGEIDSG LKIGAHKKNT DATA SEQUENCE VEYQKNIDKF VNVIQGQLMS VSVPVNTLVV DTLSPTSWQA STFFVRNGSN DATA SEQUENCE PEQDPLRNLS GQAVTRVVGG MSTHWTCATP RFDREQRPLL VKDDADADDA DATA SEQUENCE EWDRLYTKAE SYFQTGTDQF KESIRHNLVL NKLTEEYKGQ RDFQQIPLAA DATA SEQUENCE TRRSPTFVEW SSANTVFDLQ NRPNTDAPEE RFNLFPAVAC ERVVRNALNS DATA SEQUENCE EIESLHIHDL ISGDRFEIKA DVYVLTAGAV HNTQLLVNSG FGQLGRPNPA DATA SEQUENCE NPPELLPSLG SYITEQSLVF CQTVMSTELI DSVKSDMTIR GTPGELTYSV DATA SEQUENCE TYTPGASTNK HPDWWNEKVK NHMMQHQEDP LPIPFEDPEP QVTTLFQPSH DATA SEQUENCE PWHTQIHRDA NSYGAVQQSI DSRLIVDWRF FGRTEPKEEN KLWFSDKITD DATA SEQUENCE AYNMPQPTFD FRFPAGRTSK EAEDMMTDMC VMSAKIGGFL PGSLPQFMEP DATA SEQUENCE GLVLHLGGTH RMGFDEKEDN CCVNTDSRVF GFKNLFLGGC GNIPTAYGAN DATA SEQUENCE PTLTAMSLAI KSCEYIKQNF TPSPF 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 44 D HA 0.000 nan 4.640 nan 0.000 0.175 44 D C 0.000 176.237 176.300 -0.104 0.000 2.045 44 D CA 0.000 53.898 54.000 -0.171 0.000 0.868 44 D CB 0.000 40.546 40.800 -0.424 0.000 0.688 45 I N -2.524 117.964 120.570 -0.137 0.000 3.976 45 I HA 0.384 4.555 4.170 0.001 0.000 0.337 45 I C 0.131 176.226 176.117 -0.037 0.000 1.359 45 I CA 0.136 61.412 61.300 -0.040 0.000 1.098 45 I CB 0.047 38.023 38.000 -0.039 0.000 1.027 45 I HN 0.125 nan 8.210 nan 0.000 0.394 46 K N 0.685 120.946 120.400 -0.231 0.000 2.541 46 K HA 0.598 4.918 4.320 0.001 0.000 0.250 46 K C -1.968 174.348 176.600 -0.473 0.000 0.950 46 K CA -0.481 55.686 56.287 -0.200 0.000 0.805 46 K CB 1.103 33.518 32.500 -0.142 0.000 1.166 46 K HN 0.124 nan 8.250 nan 0.000 0.430 47 Y N 1.163 121.452 120.300 -0.019 0.000 2.634 47 Y HA 0.281 4.831 4.550 0.001 0.000 0.340 47 Y C 0.625 176.507 175.900 -0.030 0.000 1.058 47 Y CA -0.764 57.325 58.100 -0.019 0.000 1.081 47 Y CB 1.922 40.372 38.460 -0.017 0.000 1.295 47 Y HN 0.610 nan 8.280 nan 0.000 0.487 48 D N 0.063 120.566 120.400 0.171 0.000 2.091 48 D HA 0.021 4.661 4.640 0.001 0.000 0.199 48 D C -0.283 176.029 176.300 0.020 0.000 0.980 48 D CA 1.528 55.609 54.000 0.135 0.000 0.831 48 D CB 0.226 41.187 40.800 0.268 0.000 0.987 48 D HN 0.106 nan 8.370 nan 0.000 0.460 49 V N 0.935 120.856 119.914 0.012 0.000 2.709 49 V HA 0.415 4.535 4.120 0.001 0.000 0.308 49 V C -0.334 175.684 176.094 -0.127 0.000 1.062 49 V CA -1.020 61.194 62.300 -0.144 0.000 0.901 49 V CB 2.510 34.221 31.823 -0.187 0.000 1.003 49 V HN 0.006 nan 8.190 nan 0.000 0.425 50 V N 2.728 122.525 119.914 -0.194 0.000 2.604 50 V HA 0.752 4.873 4.120 0.001 0.000 0.305 50 V C -0.727 175.321 176.094 -0.077 0.000 1.043 50 V CA -0.613 61.625 62.300 -0.103 0.000 0.888 50 V CB 1.773 33.610 31.823 0.023 0.000 0.995 50 V HN 0.691 nan 8.190 nan 0.000 0.429 51 I N 4.108 124.652 120.570 -0.043 0.000 2.436 51 I HA 0.511 4.682 4.170 0.001 0.000 0.289 51 I C -0.667 175.472 176.117 0.036 0.000 1.010 51 I CA -0.986 60.275 61.300 -0.065 0.000 1.098 51 I CB 2.312 40.259 38.000 -0.087 0.000 1.266 51 I HN 0.437 nan 8.210 nan 0.000 0.434 52 V N 5.251 125.173 119.914 0.013 0.000 2.333 52 V HA 0.784 4.904 4.120 0.001 0.000 0.274 52 V C 0.436 176.538 176.094 0.013 0.000 1.028 52 V CA -0.311 62.022 62.300 0.055 0.000 0.851 52 V CB 0.623 32.453 31.823 0.011 0.000 1.000 52 V HN 1.069 nan 8.190 nan 0.000 0.456 53 G N 3.920 112.745 108.800 0.041 0.000 3.067 53 G HA2 -0.034 3.927 3.960 0.001 0.000 0.686 53 G HA3 -0.034 3.927 3.960 0.001 0.000 0.686 53 G C -0.027 174.891 174.900 0.029 0.000 1.119 53 G CA -0.230 44.885 45.100 0.026 0.000 0.790 53 G HN 1.318 nan 8.290 nan 0.000 0.605 54 S N 1.370 117.092 115.700 0.037 0.000 2.588 54 S HA 0.599 5.069 4.470 0.001 0.000 0.245 54 S C 1.344 175.959 174.600 0.024 0.000 1.021 54 S CA 0.718 58.947 58.200 0.048 0.000 1.006 54 S CB 0.514 63.755 63.200 0.069 0.000 0.830 54 S HN 1.970 nan 8.310 nan 0.000 0.468 55 G N 2.722 111.524 108.800 0.005 0.000 2.631 55 G HA2 0.346 4.307 3.960 0.001 0.000 0.271 55 G HA3 0.346 4.307 3.960 0.001 0.000 0.271 55 G C -1.097 173.780 174.900 -0.039 0.000 1.302 55 G CA -1.114 43.968 45.100 -0.029 0.000 1.002 55 G HN 0.285 nan 8.290 nan 0.000 0.519 56 P HA -0.045 nan 4.420 nan 0.000 0.223 56 P C 1.687 178.932 177.300 -0.093 0.000 1.151 56 P CA 0.682 63.729 63.100 -0.089 0.000 0.787 56 P CB 0.197 31.852 31.700 -0.075 0.000 0.788 57 I N 0.106 120.655 120.570 -0.035 0.000 2.277 57 I HA -0.021 4.149 4.170 0.001 0.000 0.243 57 I C 2.706 178.884 176.117 0.101 0.000 1.094 57 I CA 1.530 62.844 61.300 0.023 0.000 1.393 57 I CB -2.286 35.750 38.000 0.060 0.000 1.078 57 I HN -0.005 nan 8.210 nan 0.000 0.417 58 G N 0.509 109.343 108.800 0.057 0.000 2.440 58 G HA2 -0.249 3.711 3.960 0.001 0.000 0.218 58 G HA3 -0.249 3.711 3.960 0.001 0.000 0.218 58 G C 1.765 176.670 174.900 0.008 0.000 1.154 58 G CA 1.088 46.211 45.100 0.039 0.000 0.767 58 G HN 0.408 nan 8.290 nan 0.000 0.552 59 C N 0.572 119.854 119.300 -0.029 0.000 2.432 59 C HA 0.031 4.492 4.460 0.001 0.000 0.280 59 C C 3.183 178.062 174.990 -0.185 0.000 1.353 59 C CA 1.330 60.293 59.018 -0.092 0.000 1.766 59 C CB -0.996 26.732 27.740 -0.019 0.000 1.924 59 C HN 0.455 nan 8.230 nan 0.000 0.509 60 T N 0.163 114.632 114.554 -0.141 0.000 2.708 60 T HA -0.180 4.170 4.350 0.001 0.000 0.266 60 T C 1.457 176.021 174.700 -0.227 0.000 1.037 60 T CA 1.719 63.707 62.100 -0.187 0.000 1.146 60 T CB -0.447 68.327 68.868 -0.157 0.000 0.865 60 T HN 0.572 nan 8.240 nan 0.000 0.435 61 Y N 1.477 121.646 120.300 -0.219 0.000 2.128 61 Y HA -0.110 4.441 4.550 0.001 0.000 0.284 61 Y C 2.775 178.468 175.900 -0.345 0.000 1.154 61 Y CA 1.047 58.998 58.100 -0.250 0.000 1.149 61 Y CB -0.658 37.674 38.460 -0.213 0.000 0.976 61 Y HN 0.204 nan 8.280 nan 0.000 0.505 62 A N 0.146 122.784 122.820 -0.304 0.000 1.877 62 A HA -0.228 4.092 4.320 0.001 0.000 0.216 62 A C 2.251 179.247 177.584 -0.979 0.000 1.186 62 A CA 1.783 53.390 52.037 -0.716 0.000 0.620 62 A CB -0.801 17.565 19.000 -1.056 0.000 0.822 62 A HN 0.441 nan 8.150 nan 0.000 0.443 63 R N -0.264 119.724 120.500 -0.854 0.000 2.094 63 R HA -0.194 4.146 4.340 0.001 0.000 0.239 63 R C 2.067 178.160 176.300 -0.345 0.000 1.137 63 R CA 1.999 57.764 56.100 -0.559 0.000 0.943 63 R CB -0.282 29.721 30.300 -0.494 0.000 0.850 63 R HN 0.609 nan 8.270 nan 0.000 0.433 64 E N 0.221 120.255 120.200 -0.277 0.000 2.046 64 E HA -0.155 4.196 4.350 0.001 0.000 0.190 64 E C 2.157 178.692 176.600 -0.107 0.000 0.982 64 E CA 1.199 57.511 56.400 -0.147 0.000 0.800 64 E CB -0.026 29.586 29.700 -0.147 0.000 0.756 64 E HN 0.435 nan 8.360 nan 0.000 0.449 65 L N 0.447 121.578 121.223 -0.153 0.000 2.162 65 L HA -0.065 4.276 4.340 0.001 0.000 0.205 65 L C 2.520 179.436 176.870 0.077 0.000 1.086 65 L CA 0.296 55.097 54.840 -0.065 0.000 0.778 65 L CB -0.244 41.668 42.059 -0.245 0.000 0.928 65 L HN -0.047 nan 8.230 nan 0.000 0.446 66 V N 0.505 120.372 119.914 -0.078 0.000 2.407 66 V HA -0.194 3.927 4.120 0.001 0.000 0.248 66 V C 2.567 178.690 176.094 0.049 0.000 1.055 66 V CA 2.036 64.334 62.300 -0.002 0.000 1.049 66 V CB -1.103 30.635 31.823 -0.141 0.000 0.662 66 V HN 0.566 nan 8.190 nan 0.000 0.455 67 G N -0.711 108.089 108.800 0.000 0.000 2.448 67 G HA2 -0.043 3.918 3.960 0.001 0.000 0.218 67 G HA3 -0.043 3.918 3.960 0.001 0.000 0.218 67 G C 1.435 176.359 174.900 0.041 0.000 1.135 67 G CA 0.755 45.867 45.100 0.021 0.000 0.784 67 G HN 0.617 nan 8.290 nan 0.000 0.543 68 A N -0.530 122.342 122.820 0.087 0.000 2.275 68 A HA 0.507 4.827 4.320 0.001 0.000 0.212 68 A C 1.813 179.411 177.584 0.022 0.000 1.201 68 A CA 1.165 53.260 52.037 0.097 0.000 0.843 68 A CB -0.267 18.858 19.000 0.208 0.000 0.873 68 A HN 1.477 nan 8.150 nan 0.000 0.492 69 G N -2.198 106.632 108.800 0.050 0.000 2.148 69 G HA2 -0.239 3.721 3.960 0.001 0.000 0.203 69 G HA3 -0.239 3.721 3.960 0.001 0.000 0.203 69 G C -0.108 174.768 174.900 -0.040 0.000 0.993 69 G CA -0.037 45.055 45.100 -0.014 0.000 0.661 69 G HN 0.366 nan 8.290 nan 0.000 0.518 70 Y N 0.552 120.886 120.300 0.056 0.000 2.336 70 Y HA 0.447 4.997 4.550 0.001 0.000 0.331 70 Y C 1.100 177.055 175.900 0.092 0.000 1.211 70 Y CA -0.042 58.094 58.100 0.060 0.000 1.346 70 Y CB 0.816 39.292 38.460 0.026 0.000 1.271 70 Y HN 0.073 nan 8.280 nan 0.000 0.538 71 K N 3.002 123.547 120.400 0.243 0.000 2.315 71 K HA 0.366 4.686 4.320 0.001 0.000 0.291 71 K C -1.535 175.226 176.600 0.269 0.000 1.074 71 K CA -0.094 56.326 56.287 0.222 0.000 0.936 71 K CB -0.076 32.509 32.500 0.142 0.000 1.049 71 K HN 0.487 nan 8.250 nan 0.000 0.471 72 V N 3.378 123.430 119.914 0.229 0.000 2.459 72 V HA 0.564 4.684 4.120 0.001 0.000 0.295 72 V C -0.277 175.733 176.094 -0.140 0.000 1.029 72 V CA -0.915 61.449 62.300 0.107 0.000 0.874 72 V CB 1.435 33.367 31.823 0.181 0.000 0.985 72 V HN 0.871 nan 8.190 nan 0.000 0.438 73 A N 5.823 128.374 122.820 -0.448 0.000 2.337 73 A HA 0.942 5.263 4.320 0.001 0.000 0.329 73 A C -0.638 176.601 177.584 -0.575 0.000 1.146 73 A CA -0.623 50.922 52.037 -0.820 0.000 0.800 73 A CB 1.541 19.686 19.000 -1.425 0.000 1.220 73 A HN 0.906 nan 8.150 nan 0.000 0.472 74 M N 2.257 121.443 119.600 -0.690 0.000 2.395 74 M HA 0.734 5.214 4.480 0.001 0.000 0.307 74 M C -2.183 173.786 176.300 -0.553 0.000 1.091 74 M CA -0.421 54.652 55.300 -0.379 0.000 0.919 74 M CB 1.231 33.817 32.600 -0.025 0.000 1.662 74 M HN 0.594 nan 8.290 nan 0.000 0.440 75 F N 2.315 122.272 119.950 0.011 0.000 2.495 75 F HA 0.561 5.088 4.527 0.001 0.000 0.327 75 F C -0.139 175.670 175.800 0.014 0.000 1.103 75 F CA -0.510 57.515 58.000 0.042 0.000 0.949 75 F CB 1.489 40.495 39.000 0.010 0.000 1.142 75 F HN 0.461 nan 8.300 nan 0.000 0.457 76 D N 2.668 123.168 120.400 0.166 0.000 2.738 76 D HA 0.256 4.896 4.640 0.001 0.000 0.237 76 D C 0.476 176.809 176.300 0.055 0.000 1.123 76 D CA -0.349 53.701 54.000 0.083 0.000 0.856 76 D CB 2.571 43.403 40.800 0.053 0.000 1.552 76 D HN 0.645 nan 8.370 nan 0.000 0.480 77 I N 1.715 122.269 120.570 -0.027 0.000 2.546 77 I HA 0.070 4.240 4.170 0.001 0.000 0.255 77 I C 1.129 177.214 176.117 -0.053 0.000 1.163 77 I CA 0.655 61.895 61.300 -0.101 0.000 1.457 77 I CB 0.167 37.984 38.000 -0.305 0.000 1.092 77 I HN 0.327 nan 8.210 nan 0.000 0.434 78 G N 0.042 108.831 108.800 -0.019 0.000 2.537 78 G HA2 0.403 4.363 3.960 0.001 0.000 0.297 78 G HA3 0.403 4.363 3.960 0.001 0.000 0.297 78 G C -0.883 174.043 174.900 0.043 0.000 1.310 78 G CA -0.403 44.711 45.100 0.023 0.000 1.027 78 G HN 0.297 nan 8.290 nan 0.000 0.505 79 E N -1.354 118.877 120.200 0.052 0.000 2.320 79 E HA 0.356 4.706 4.350 0.001 0.000 0.264 79 E C -0.494 176.137 176.600 0.052 0.000 0.923 79 E CA -0.777 55.655 56.400 0.053 0.000 0.796 79 E CB 2.586 32.319 29.700 0.056 0.000 1.262 79 E HN 0.272 nan 8.360 nan 0.000 0.428 80 I N 2.590 123.188 120.570 0.047 0.000 2.587 80 I HA -0.008 4.163 4.170 0.001 0.000 0.284 80 I C -0.149 176.002 176.117 0.057 0.000 1.134 80 I CA 0.738 62.067 61.300 0.049 0.000 1.410 80 I CB 0.072 38.095 38.000 0.038 0.000 1.392 80 I HN 0.551 nan 8.210 nan 0.000 0.545 81 D N 2.711 123.152 120.400 0.067 0.000 3.484 81 D HA 0.009 4.649 4.640 0.001 0.000 0.315 81 D C -0.192 176.169 176.300 0.103 0.000 1.516 81 D CA -0.355 53.693 54.000 0.080 0.000 0.755 81 D CB -0.316 40.530 40.800 0.077 0.000 1.306 81 D HN 0.256 nan 8.370 nan 0.000 0.615 82 S N -0.115 115.648 115.700 0.105 0.000 2.664 82 S HA 0.652 5.122 4.470 0.001 0.000 0.245 82 S C 1.004 175.682 174.600 0.129 0.000 1.019 82 S CA -0.070 58.211 58.200 0.135 0.000 0.996 82 S CB 0.850 64.136 63.200 0.142 0.000 0.878 82 S HN 0.919 nan 8.310 nan 0.000 0.493 83 G N 1.620 110.483 108.800 0.104 0.000 2.587 83 G HA2 -0.204 3.756 3.960 0.001 0.000 0.212 83 G HA3 -0.204 3.756 3.960 0.001 0.000 0.212 83 G C 0.227 175.165 174.900 0.065 0.000 1.327 83 G CA -0.387 44.765 45.100 0.087 0.000 0.898 83 G HN 0.273 nan 8.290 nan 0.000 0.551 84 L N 0.262 121.516 121.223 0.052 0.000 2.291 84 L HA 0.093 4.434 4.340 0.001 0.000 0.214 84 L C 1.463 178.350 176.870 0.027 0.000 1.120 84 L CA 0.999 55.859 54.840 0.033 0.000 0.799 84 L CB -0.389 41.684 42.059 0.023 0.000 0.925 84 L HN 0.339 nan 8.230 nan 0.000 0.446 85 K N 1.847 122.273 120.400 0.043 0.000 2.292 85 K HA 0.307 4.628 4.320 0.001 0.000 0.290 85 K C -0.269 176.358 176.600 0.045 0.000 1.083 85 K CA -0.135 56.174 56.287 0.037 0.000 0.918 85 K CB 0.833 33.367 32.500 0.057 0.000 1.089 85 K HN 0.097 nan 8.250 nan 0.000 0.473 86 I N 2.084 122.665 120.570 0.018 0.000 2.533 86 I HA -0.037 4.134 4.170 0.001 0.000 0.284 86 I C 1.338 177.476 176.117 0.036 0.000 1.109 86 I CA 0.628 61.943 61.300 0.025 0.000 1.412 86 I CB 0.507 38.511 38.000 0.007 0.000 1.396 86 I HN 0.969 nan 8.210 nan 0.000 0.543 87 G N 4.442 113.275 108.800 0.056 0.000 2.168 87 G HA2 -0.232 3.728 3.960 0.001 0.000 0.257 87 G HA3 -0.232 3.728 3.960 0.001 0.000 0.257 87 G C 0.376 175.330 174.900 0.090 0.000 0.997 87 G CA 0.187 45.325 45.100 0.063 0.000 0.708 87 G HN 0.947 nan 8.290 nan 0.000 0.520 88 A N -0.531 122.359 122.820 0.116 0.000 2.280 88 A HA 0.607 4.927 4.320 0.001 0.000 0.268 88 A C 0.617 178.335 177.584 0.223 0.000 1.111 88 A CA -0.279 51.864 52.037 0.176 0.000 0.814 88 A CB 0.258 19.363 19.000 0.174 0.000 1.093 88 A HN 0.606 nan 8.150 nan 0.000 0.498 89 H N 0.257 119.465 119.070 0.230 0.000 2.848 89 H HA 0.128 4.685 4.556 0.001 0.000 0.317 89 H C 0.650 176.111 175.328 0.222 0.000 1.046 89 H CA 0.623 56.822 56.048 0.251 0.000 1.470 89 H CB 0.863 30.790 29.762 0.275 0.000 1.483 89 H HN 0.650 nan 8.280 nan 0.000 0.548 90 K N 3.410 124.044 120.400 0.391 0.000 2.439 90 K HA -0.078 4.242 4.320 0.001 0.000 0.197 90 K C 1.573 178.412 176.600 0.397 0.000 1.041 90 K CA 0.506 57.057 56.287 0.440 0.000 0.970 90 K CB 0.415 33.201 32.500 0.476 0.000 0.773 90 K HN 0.400 nan 8.250 nan 0.000 0.479 91 K N 0.944 121.439 120.400 0.158 0.000 2.487 91 K HA 0.022 4.343 4.320 0.001 0.000 0.192 91 K C 0.215 176.819 176.600 0.008 0.000 1.027 91 K CA 0.256 56.289 56.287 -0.424 0.000 1.054 91 K CB 0.299 32.110 32.500 -1.148 0.000 0.824 91 K HN -0.006 nan 8.250 nan 0.000 0.510 92 N N 1.882 120.707 118.700 0.209 0.000 2.623 92 N HA -0.017 4.723 4.740 0.001 0.000 0.263 92 N C -0.696 175.075 175.510 0.436 0.000 1.218 92 N CA 0.244 53.473 53.050 0.298 0.000 0.949 92 N CB 0.647 39.338 38.487 0.340 0.000 1.270 92 N HN 0.245 nan 8.380 nan 0.000 0.507 93 T N -4.301 110.492 114.554 0.399 0.000 2.925 93 T HA 0.347 4.697 4.350 0.001 0.000 0.285 93 T C 1.504 176.440 174.700 0.394 0.000 1.021 93 T CA -0.763 61.546 62.100 0.350 0.000 1.042 93 T CB 1.612 70.630 68.868 0.249 0.000 1.037 93 T HN -0.178 nan 8.240 nan 0.000 0.481 94 V N 1.248 121.328 119.914 0.276 0.000 2.407 94 V HA -0.088 4.032 4.120 0.001 0.000 0.248 94 V C 2.810 178.994 176.094 0.151 0.000 1.055 94 V CA 2.317 64.759 62.300 0.236 0.000 1.049 94 V CB -0.972 30.895 31.823 0.074 0.000 0.662 94 V HN 1.049 nan 8.190 nan 0.000 0.455 95 E N -0.322 119.907 120.200 0.049 0.000 2.077 95 E HA -0.213 4.137 4.350 0.001 0.000 0.193 95 E C 2.007 178.563 176.600 -0.073 0.000 0.989 95 E CA 1.616 57.981 56.400 -0.058 0.000 0.800 95 E CB -0.347 29.250 29.700 -0.172 0.000 0.746 95 E HN 0.659 nan 8.360 nan 0.000 0.452 96 Y N 0.811 121.196 120.300 0.140 0.000 2.242 96 Y HA -0.063 4.487 4.550 0.001 0.000 0.291 96 Y C 2.167 178.115 175.900 0.079 0.000 1.137 96 Y CA 1.426 59.598 58.100 0.120 0.000 1.181 96 Y CB -0.244 38.280 38.460 0.107 0.000 0.989 96 Y HN 0.172 nan 8.280 nan 0.000 0.527 97 Q N -0.296 119.635 119.800 0.219 0.000 2.435 97 Q HA -0.090 4.250 4.340 0.001 0.000 0.207 97 Q C 1.454 177.537 176.000 0.138 0.000 0.956 97 Q CA 0.722 56.612 55.803 0.145 0.000 0.917 97 Q CB 0.021 28.810 28.738 0.084 0.000 0.997 97 Q HN 0.442 nan 8.270 nan 0.000 0.497 98 K N 0.059 120.538 120.400 0.130 0.000 2.367 98 K HA 0.109 4.429 4.320 0.001 0.000 0.194 98 K C 0.154 176.808 176.600 0.089 0.000 1.027 98 K CA 0.173 56.517 56.287 0.094 0.000 1.075 98 K CB 0.668 33.209 32.500 0.069 0.000 0.845 98 K HN 0.056 nan 8.250 nan 0.000 0.529 99 N N 0.881 119.656 118.700 0.124 0.000 2.651 99 N HA 0.033 4.773 4.740 0.001 0.000 0.277 99 N C 0.043 175.689 175.510 0.226 0.000 1.787 99 N CA 0.076 53.212 53.050 0.142 0.000 0.818 99 N CB 0.923 39.477 38.487 0.111 0.000 1.316 99 N HN -0.013 nan 8.380 nan 0.000 0.503 100 I N 1.111 121.796 120.570 0.192 0.000 2.361 100 I HA -0.164 4.007 4.170 0.001 0.000 0.251 100 I C 1.472 177.709 176.117 0.201 0.000 1.133 100 I CA 1.686 63.103 61.300 0.196 0.000 1.413 100 I CB 0.167 38.239 38.000 0.120 0.000 1.073 100 I HN 0.116 nan 8.210 nan 0.000 0.424 101 D N 0.505 121.012 120.400 0.179 0.000 2.310 101 D HA -0.139 4.501 4.640 0.001 0.000 0.212 101 D C 1.916 178.307 176.300 0.151 0.000 0.965 101 D CA 0.592 54.686 54.000 0.156 0.000 0.879 101 D CB -0.087 40.825 40.800 0.187 0.000 0.921 101 D HN 0.345 nan 8.370 nan 0.000 0.510 102 K N 0.079 120.611 120.400 0.221 0.000 2.283 102 K HA -0.081 4.239 4.320 0.001 0.000 0.202 102 K C 1.760 178.473 176.600 0.187 0.000 1.048 102 K CA 0.019 56.448 56.287 0.238 0.000 0.948 102 K CB -0.356 32.351 32.500 0.345 0.000 0.742 102 K HN 0.198 nan 8.250 nan 0.000 0.458 103 F N 1.328 121.260 119.950 -0.030 0.000 2.293 103 F HA -0.158 4.369 4.527 0.001 0.000 0.300 103 F C 2.119 177.805 175.800 -0.191 0.000 1.086 103 F CA 0.430 58.251 58.000 -0.300 0.000 1.375 103 F CB -0.268 38.530 39.000 -0.338 0.000 1.045 103 F HN -0.249 nan 8.300 nan 0.000 0.516 104 V N 0.797 120.639 119.914 -0.121 0.000 2.380 104 V HA -0.402 3.718 4.120 0.001 0.000 0.251 104 V C 1.798 177.735 176.094 -0.262 0.000 1.063 104 V CA 2.811 64.998 62.300 -0.188 0.000 1.055 104 V CB -0.617 31.136 31.823 -0.117 0.000 0.657 104 V HN 0.474 nan 8.190 nan 0.000 0.455 105 N N -0.600 117.976 118.700 -0.207 0.000 2.120 105 N HA -0.138 4.602 4.740 0.001 0.000 0.188 105 N C 1.643 176.987 175.510 -0.277 0.000 1.024 105 N CA 1.561 54.503 53.050 -0.180 0.000 0.852 105 N CB -0.294 38.151 38.487 -0.070 0.000 1.003 105 N HN 0.415 nan 8.380 nan 0.000 0.424 106 V N 1.254 120.888 119.914 -0.468 0.000 2.343 106 V HA -0.200 3.920 4.120 0.001 0.000 0.247 106 V C 2.028 177.789 176.094 -0.555 0.000 1.051 106 V CA 1.392 63.364 62.300 -0.546 0.000 1.036 106 V CB -0.528 30.736 31.823 -0.931 0.000 0.654 106 V HN 0.307 nan 8.190 nan 0.000 0.451 107 I N -0.295 119.850 120.570 -0.707 0.000 2.179 107 I HA -0.317 3.854 4.170 0.001 0.000 0.242 107 I C 2.713 178.574 176.117 -0.427 0.000 1.088 107 I CA 1.725 62.652 61.300 -0.623 0.000 1.357 107 I CB -0.431 37.252 38.000 -0.527 0.000 1.051 107 I HN 0.355 nan 8.210 nan 0.000 0.409 108 Q N 0.376 119.991 119.800 -0.309 0.000 2.124 108 Q HA -0.135 4.205 4.340 0.001 0.000 0.202 108 Q C 2.309 178.216 176.000 -0.155 0.000 0.977 108 Q CA 1.461 57.143 55.803 -0.201 0.000 0.850 108 Q CB -0.444 28.200 28.738 -0.157 0.000 0.901 108 Q HN 0.650 nan 8.270 nan 0.000 0.429 109 G N 1.391 110.095 108.800 -0.159 0.000 2.535 109 G HA2 -0.236 3.724 3.960 0.001 0.000 0.218 109 G HA3 -0.236 3.724 3.960 0.001 0.000 0.218 109 G C 0.974 175.830 174.900 -0.074 0.000 1.122 109 G CA 0.747 45.788 45.100 -0.100 0.000 0.769 109 G HN 0.488 nan 8.290 nan 0.000 0.549 110 Q N -0.797 118.940 119.800 -0.104 0.000 2.089 110 Q HA 0.430 4.771 4.340 0.001 0.000 0.248 110 Q C -0.369 175.613 176.000 -0.030 0.000 0.828 110 Q CA -0.299 55.481 55.803 -0.038 0.000 1.102 110 Q CB 0.137 28.876 28.738 0.001 0.000 1.221 110 Q HN 0.237 nan 8.270 nan 0.000 0.455 111 L N 2.030 123.213 121.223 -0.066 0.000 2.295 111 L HA 0.525 4.865 4.340 0.001 0.000 0.281 111 L C -0.997 175.874 176.870 0.001 0.000 1.018 111 L CA -0.800 54.022 54.840 -0.030 0.000 0.841 111 L CB 1.254 43.264 42.059 -0.083 0.000 1.218 111 L HN 0.225 nan 8.230 nan 0.000 0.424 112 M N 2.171 121.797 119.600 0.044 0.000 2.101 112 M HA 0.276 4.756 4.480 0.001 0.000 0.340 112 M C 0.229 176.565 176.300 0.060 0.000 1.057 112 M CA -0.196 55.137 55.300 0.056 0.000 0.984 112 M CB 1.521 34.177 32.600 0.094 0.000 1.560 112 M HN 0.291 nan 8.290 nan 0.000 0.435 113 S N 1.788 117.511 115.700 0.039 0.000 2.558 113 S HA 0.073 4.543 4.470 0.001 0.000 0.293 113 S C 1.546 176.180 174.600 0.056 0.000 1.292 113 S CA -0.544 57.678 58.200 0.037 0.000 1.063 113 S CB 0.498 63.708 63.200 0.017 0.000 0.831 113 S HN 0.584 nan 8.310 nan 0.000 0.499 114 V N 2.397 122.355 119.914 0.073 0.000 2.323 114 V HA -0.009 4.111 4.120 0.001 0.000 0.244 114 V C 1.220 177.321 176.094 0.013 0.000 1.041 114 V CA 1.546 63.883 62.300 0.061 0.000 1.025 114 V CB 0.020 31.918 31.823 0.125 0.000 0.656 114 V HN 0.815 nan 8.190 nan 0.000 0.451 115 S N -0.605 115.121 115.700 0.043 0.000 2.750 115 S HA 0.502 4.972 4.470 0.001 0.000 0.276 115 S C -1.154 173.450 174.600 0.007 0.000 1.165 115 S CA -0.478 57.714 58.200 -0.014 0.000 1.047 115 S CB 1.467 64.634 63.200 -0.054 0.000 1.056 115 S HN -0.005 nan 8.310 nan 0.000 0.481 116 V N 7.818 127.724 119.914 -0.014 0.000 2.357 116 V HA 0.541 4.661 4.120 0.001 0.000 0.284 116 V C -1.922 174.157 176.094 -0.025 0.000 1.018 116 V CA -1.793 60.498 62.300 -0.015 0.000 0.841 116 V CB 1.372 33.187 31.823 -0.014 0.000 0.991 116 V HN 0.705 nan 8.190 nan 0.000 0.437 117 P HA 0.125 nan 4.420 nan 0.000 0.272 117 P C -0.096 177.185 177.300 -0.031 0.000 1.240 117 P CA -0.080 63.003 63.100 -0.028 0.000 0.791 117 P CB 0.886 32.570 31.700 -0.028 0.000 0.978 118 V N 2.375 122.275 119.914 -0.025 0.000 2.617 118 V HA -0.051 4.069 4.120 0.001 0.000 0.304 118 V C 1.347 177.410 176.094 -0.052 0.000 1.040 118 V CA 0.219 62.504 62.300 -0.026 0.000 1.149 118 V CB -0.748 31.079 31.823 0.007 0.000 0.914 118 V HN 0.627 nan 8.190 nan 0.000 0.487 119 N N 3.647 122.313 118.700 -0.057 0.000 2.520 119 N HA 0.084 4.825 4.740 0.001 0.000 0.273 119 N C 0.606 176.042 175.510 -0.123 0.000 1.155 119 N CA 0.501 53.508 53.050 -0.073 0.000 0.967 119 N CB 1.517 39.974 38.487 -0.049 0.000 1.092 119 N HN 0.870 nan 8.380 nan 0.000 0.457 120 T N 0.587 114.987 114.554 -0.255 0.000 3.231 120 T HA 0.260 4.610 4.350 0.001 0.000 0.292 120 T C 0.823 175.260 174.700 -0.439 0.000 1.001 120 T CA -0.450 61.252 62.100 -0.663 0.000 0.920 120 T CB -0.360 68.036 68.868 -0.787 0.000 1.140 120 T HN 0.280 nan 8.240 nan 0.000 0.525 121 L N 1.965 123.106 121.223 -0.137 0.000 2.490 121 L HA 0.313 4.654 4.340 0.001 0.000 0.274 121 L C 0.076 177.009 176.870 0.104 0.000 1.201 121 L CA -0.562 54.263 54.840 -0.026 0.000 0.869 121 L CB 0.714 42.772 42.059 -0.003 0.000 1.123 121 L HN 0.077 nan 8.230 nan 0.000 0.484 122 V N 4.821 124.798 119.914 0.105 0.000 2.348 122 V HA 0.153 4.273 4.120 0.001 0.000 0.270 122 V C 0.190 176.343 176.094 0.097 0.000 1.037 122 V CA -0.421 61.978 62.300 0.165 0.000 0.872 122 V CB 1.559 33.465 31.823 0.137 0.000 1.002 122 V HN 0.414 nan 8.190 nan 0.000 0.464 123 V N 5.719 125.690 119.914 0.095 0.000 2.277 123 V HA 0.289 4.409 4.120 0.001 0.000 0.269 123 V C 0.439 176.559 176.094 0.044 0.000 1.036 123 V CA -0.385 61.952 62.300 0.060 0.000 0.821 123 V CB 1.179 33.040 31.823 0.063 0.000 1.052 123 V HN 1.058 nan 8.190 nan 0.000 0.462 124 D N 1.984 122.404 120.400 0.033 0.000 2.440 124 D HA -0.025 4.615 4.640 0.001 0.000 0.216 124 D C 1.309 177.616 176.300 0.012 0.000 1.150 124 D CA 0.382 54.392 54.000 0.017 0.000 0.832 124 D CB 0.339 41.149 40.800 0.016 0.000 0.992 124 D HN 0.538 nan 8.370 nan 0.000 0.502 125 T N -1.628 112.936 114.554 0.017 0.000 3.186 125 T HA 0.299 4.649 4.350 0.001 0.000 0.257 125 T C 0.802 175.513 174.700 0.018 0.000 1.029 125 T CA -0.577 61.532 62.100 0.015 0.000 0.916 125 T CB -0.416 68.461 68.868 0.016 0.000 1.041 125 T HN 0.032 nan 8.240 nan 0.000 0.562 126 L N 2.180 123.415 121.223 0.020 0.000 2.483 126 L HA 0.228 4.568 4.340 0.001 0.000 0.276 126 L C 1.150 178.029 176.870 0.016 0.000 1.213 126 L CA -0.448 54.407 54.840 0.025 0.000 0.843 126 L CB 0.302 42.379 42.059 0.031 0.000 1.107 126 L HN 0.262 nan 8.230 nan 0.000 0.487 127 S N 2.502 118.215 115.700 0.022 0.000 2.560 127 S HA 0.089 4.559 4.470 0.001 0.000 0.284 127 S C -1.366 173.240 174.600 0.009 0.000 1.327 127 S CA -1.033 57.177 58.200 0.016 0.000 1.055 127 S CB 0.831 64.044 63.200 0.022 0.000 0.868 127 S HN 0.409 nan 8.310 nan 0.000 0.506 128 P HA -0.113 nan 4.420 nan 0.000 0.218 128 P C 1.418 178.716 177.300 -0.004 0.000 1.146 128 P CA 1.611 64.706 63.100 -0.009 0.000 0.820 128 P CB -0.254 31.441 31.700 -0.009 0.000 0.778 129 T N -5.595 108.966 114.554 0.012 0.000 3.055 129 T HA 0.076 4.426 4.350 0.001 0.000 0.265 129 T C 1.035 175.763 174.700 0.047 0.000 1.111 129 T CA 0.147 62.261 62.100 0.024 0.000 1.118 129 T CB -0.598 68.287 68.868 0.028 0.000 0.909 129 T HN -0.095 nan 8.240 nan 0.000 0.501 130 S N 1.259 116.991 115.700 0.052 0.000 2.565 130 S HA 0.299 4.770 4.470 0.001 0.000 0.276 130 S C -0.573 174.105 174.600 0.130 0.000 1.326 130 S CA -1.002 57.259 58.200 0.101 0.000 1.045 130 S CB 0.159 63.414 63.200 0.093 0.000 0.918 130 S HN 0.601 nan 8.310 nan 0.000 0.505 131 W N 3.142 124.448 121.300 0.011 0.000 2.322 131 W HA 0.166 4.826 4.660 0.001 0.000 0.328 131 W C 0.278 176.810 176.519 0.021 0.000 1.395 131 W CA 0.264 57.615 57.345 0.010 0.000 1.267 131 W CB 0.203 29.669 29.460 0.010 0.000 1.259 131 W HN 0.533 nan 8.180 nan 0.000 0.560 132 Q N 5.305 124.762 119.800 -0.571 0.000 2.321 132 Q HA 0.576 4.916 4.340 0.001 0.000 0.270 132 Q C -0.468 174.973 176.000 -0.932 0.000 1.032 132 Q CA -0.848 54.678 55.803 -0.461 0.000 0.784 132 Q CB 1.625 30.193 28.738 -0.283 0.000 1.264 132 Q HN 0.619 nan 8.270 nan 0.000 0.448 133 A N 2.487 125.007 122.820 -0.499 0.000 2.498 133 A HA 0.170 4.490 4.320 0.001 0.000 0.239 133 A C 0.491 177.885 177.584 -0.316 0.000 1.068 133 A CA 0.163 52.017 52.037 -0.304 0.000 0.766 133 A CB 0.507 19.607 19.000 0.167 0.000 1.003 133 A HN 0.896 nan 8.150 nan 0.000 0.497 134 S N -0.407 115.141 115.700 -0.254 0.000 2.517 134 S HA 0.147 4.617 4.470 0.001 0.000 0.214 134 S C 0.823 175.307 174.600 -0.193 0.000 0.991 134 S CA 0.763 58.839 58.200 -0.208 0.000 0.906 134 S CB -0.079 63.023 63.200 -0.164 0.000 0.789 134 S HN 1.165 nan 8.310 nan 0.000 0.513 135 T N -1.355 113.106 114.554 -0.155 0.000 2.816 135 T HA 0.632 4.983 4.350 0.001 0.000 0.299 135 T C -1.184 173.387 174.700 -0.215 0.000 1.230 135 T CA -0.761 61.230 62.100 -0.180 0.000 1.007 135 T CB 0.651 69.536 68.868 0.028 0.000 1.289 135 T HN -0.090 nan 8.240 nan 0.000 0.508 136 F N 2.960 122.997 119.950 0.144 0.000 2.541 136 F HA 0.427 4.954 4.527 0.001 0.000 0.351 136 F C 0.364 176.222 175.800 0.096 0.000 1.209 136 F CA -1.720 56.324 58.000 0.073 0.000 1.277 136 F CB -0.792 38.222 39.000 0.022 0.000 1.632 136 F HN 0.573 nan 8.300 nan 0.000 0.619 137 F N -0.689 119.352 119.950 0.152 0.000 2.368 137 F HA 0.641 5.168 4.527 0.001 0.000 0.308 137 F C -0.145 175.722 175.800 0.112 0.000 1.198 137 F CA -1.623 56.447 58.000 0.117 0.000 1.130 137 F CB -0.063 38.996 39.000 0.099 0.000 1.300 137 F HN -0.167 nan 8.300 nan 0.000 0.537 138 V N 2.756 122.814 119.914 0.240 0.000 2.415 138 V HA 0.323 4.444 4.120 0.001 0.000 0.267 138 V C 0.056 176.168 176.094 0.030 0.000 1.042 138 V CA -0.184 62.167 62.300 0.085 0.000 1.000 138 V CB -0.344 31.547 31.823 0.112 0.000 1.015 138 V HN 0.705 nan 8.190 nan 0.000 0.478 139 R N 3.841 124.262 120.500 -0.132 0.000 2.803 139 R HA 0.499 4.839 4.340 0.001 0.000 0.276 139 R C 0.230 176.494 176.300 -0.059 0.000 0.978 139 R CA -0.921 55.094 56.100 -0.141 0.000 0.939 139 R CB 1.086 31.192 30.300 -0.323 0.000 1.179 139 R HN 0.681 nan 8.270 nan 0.000 0.472 140 N N 0.764 119.449 118.700 -0.026 0.000 2.721 140 N HA -0.196 4.544 4.740 0.001 0.000 0.249 140 N C 0.428 175.930 175.510 -0.014 0.000 1.072 140 N CA 1.515 54.553 53.050 -0.019 0.000 0.710 140 N CB -1.180 37.290 38.487 -0.028 0.000 0.993 140 N HN 1.081 nan 8.380 nan 0.000 0.547 141 G N -1.698 107.099 108.800 -0.005 0.000 2.155 141 G HA2 -0.336 3.624 3.960 0.001 0.000 0.257 141 G HA3 -0.336 3.624 3.960 0.001 0.000 0.257 141 G C 0.347 175.244 174.900 -0.005 0.000 0.983 141 G CA 0.896 45.995 45.100 -0.002 0.000 0.676 141 G HN 1.274 nan 8.290 nan 0.000 0.528 142 S N -0.692 115.000 115.700 -0.012 0.000 2.584 142 S HA 0.452 4.923 4.470 0.001 0.000 0.270 142 S C 0.158 174.751 174.600 -0.012 0.000 1.346 142 S CA 0.075 58.265 58.200 -0.017 0.000 1.018 142 S CB 1.715 64.900 63.200 -0.026 0.000 0.899 142 S HN 0.720 nan 8.310 nan 0.000 0.542 143 N N 1.726 120.412 118.700 -0.024 0.000 2.501 143 N HA 0.381 5.122 4.740 0.001 0.000 0.245 143 N C -1.850 173.646 175.510 -0.024 0.000 0.974 143 N CA -2.554 50.474 53.050 -0.037 0.000 0.941 143 N CB 1.322 39.759 38.487 -0.083 0.000 1.122 143 N HN 0.317 nan 8.380 nan 0.000 0.507 144 P HA -0.032 nan 4.420 nan 0.000 0.233 144 P C 0.348 177.668 177.300 0.034 0.000 1.167 144 P CA 0.797 63.914 63.100 0.028 0.000 0.770 144 P CB 0.553 32.284 31.700 0.053 0.000 0.837 145 E N -0.168 120.037 120.200 0.009 0.000 2.274 145 E HA -0.101 4.250 4.350 0.001 0.000 0.194 145 E C 0.915 177.522 176.600 0.012 0.000 0.996 145 E CA 0.608 57.032 56.400 0.041 0.000 0.840 145 E CB -0.124 29.545 29.700 -0.052 0.000 0.772 145 E HN 0.312 nan 8.360 nan 0.000 0.491 146 Q N 2.166 121.937 119.800 -0.048 0.000 2.294 146 Q HA 0.032 4.373 4.340 0.001 0.000 0.257 146 Q C -0.827 175.177 176.000 0.007 0.000 0.955 146 Q CA -0.220 55.551 55.803 -0.053 0.000 0.936 146 Q CB 0.844 29.538 28.738 -0.074 0.000 1.188 146 Q HN -0.209 nan 8.270 nan 0.000 0.420 147 D N 6.118 126.540 120.400 0.038 0.000 2.358 147 D HA 0.050 4.690 4.640 0.001 0.000 0.258 147 D C -1.656 174.654 176.300 0.018 0.000 1.223 147 D CA -1.834 52.188 54.000 0.037 0.000 0.886 147 D CB 1.259 42.094 40.800 0.058 0.000 1.120 147 D HN 0.450 nan 8.370 nan 0.000 0.482 148 P HA -0.103 nan 4.420 nan 0.000 0.222 148 P C 1.266 178.561 177.300 -0.009 0.000 1.147 148 P CA 0.721 63.814 63.100 -0.012 0.000 0.790 148 P CB 0.342 32.024 31.700 -0.030 0.000 0.780 149 L N -1.253 119.968 121.223 -0.003 0.000 2.592 149 L HA 0.179 4.520 4.340 0.001 0.000 0.227 149 L C 1.475 178.348 176.870 0.005 0.000 1.127 149 L CA 0.228 55.066 54.840 -0.003 0.000 0.884 149 L CB -0.158 41.896 42.059 -0.008 0.000 1.065 149 L HN -0.168 nan 8.230 nan 0.000 0.457 150 R N -0.226 120.287 120.500 0.021 0.000 2.688 150 R HA 0.218 4.559 4.340 0.001 0.000 0.396 150 R C -0.487 175.855 176.300 0.069 0.000 1.081 150 R CA -0.269 55.854 56.100 0.038 0.000 1.093 150 R CB 0.335 30.662 30.300 0.045 0.000 1.338 150 R HN 0.031 nan 8.270 nan 0.000 0.613 151 N N 0.570 119.287 118.700 0.029 0.000 2.432 151 N HA 0.377 5.118 4.740 0.001 0.000 0.292 151 N C -0.699 174.712 175.510 -0.165 0.000 1.193 151 N CA -0.666 52.381 53.050 -0.005 0.000 0.878 151 N CB 1.294 39.780 38.487 -0.002 0.000 1.252 151 N HN 0.092 nan 8.380 nan 0.000 0.520 152 L N 2.126 123.081 121.223 -0.447 0.000 2.475 152 L HA 0.207 4.548 4.340 0.001 0.000 0.253 152 L C 1.462 178.132 176.870 -0.333 0.000 1.137 152 L CA -0.274 54.189 54.840 -0.629 0.000 1.058 152 L CB 0.267 41.544 42.059 -1.303 0.000 1.382 152 L HN 0.644 nan 8.230 nan 0.000 0.416 153 S N -0.245 115.359 115.700 -0.159 0.000 2.419 153 S HA -0.133 4.338 4.470 0.001 0.000 0.233 153 S C 1.862 176.420 174.600 -0.069 0.000 1.016 153 S CA 1.059 59.215 58.200 -0.074 0.000 0.974 153 S CB -0.239 62.931 63.200 -0.049 0.000 0.786 153 S HN 0.630 nan 8.310 nan 0.000 0.492 154 G N 0.664 109.407 108.800 -0.095 0.000 2.572 154 G HA2 0.038 3.998 3.960 0.001 0.000 0.216 154 G HA3 0.038 3.998 3.960 0.001 0.000 0.216 154 G C 0.643 175.502 174.900 -0.069 0.000 1.133 154 G CA -0.184 44.871 45.100 -0.075 0.000 0.791 154 G HN 0.401 nan 8.290 nan 0.000 0.538 155 Q N 0.592 120.330 119.800 -0.103 0.000 2.315 155 Q HA 0.454 4.794 4.340 0.001 0.000 0.289 155 Q C -0.035 175.984 176.000 0.031 0.000 1.044 155 Q CA 0.405 56.180 55.803 -0.046 0.000 0.920 155 Q CB 1.250 29.943 28.738 -0.075 0.000 1.214 155 Q HN 0.308 nan 8.270 nan 0.000 0.392 156 A N 2.021 124.869 122.820 0.046 0.000 2.593 156 A HA 0.759 5.079 4.320 0.001 0.000 0.290 156 A C -1.020 176.610 177.584 0.078 0.000 1.126 156 A CA -0.502 51.569 52.037 0.057 0.000 0.695 156 A CB 1.364 20.384 19.000 0.033 0.000 1.290 156 A HN 0.487 nan 8.150 nan 0.000 0.414 157 V N -2.434 117.537 119.914 0.096 0.000 3.040 157 V HA 0.953 5.074 4.120 0.001 0.000 0.312 157 V C -0.566 175.615 176.094 0.144 0.000 1.115 157 V CA -0.531 61.846 62.300 0.128 0.000 0.998 157 V CB 1.662 33.583 31.823 0.164 0.000 1.042 157 V HN 0.914 nan 8.190 nan 0.000 0.433 158 T N 2.665 117.312 114.554 0.155 0.000 2.847 158 T HA 0.550 4.900 4.350 0.001 0.000 0.291 158 T C -0.360 174.407 174.700 0.111 0.000 0.998 158 T CA -0.423 61.763 62.100 0.143 0.000 0.967 158 T CB 0.985 69.969 68.868 0.194 0.000 0.954 158 T HN 0.762 nan 8.240 nan 0.000 0.441 159 R N 2.688 123.242 120.500 0.090 0.000 2.423 159 R HA 0.595 4.936 4.340 0.001 0.000 0.293 159 R C -0.582 175.749 176.300 0.051 0.000 1.196 159 R CA -0.577 55.550 56.100 0.045 0.000 1.262 159 R CB 0.727 31.032 30.300 0.007 0.000 1.116 159 R HN 0.528 nan 8.270 nan 0.000 0.566 160 V N -1.808 118.136 119.914 0.050 0.000 3.120 160 V HA 0.422 4.542 4.120 0.001 0.000 0.303 160 V C -0.099 176.022 176.094 0.045 0.000 1.238 160 V CA -1.147 61.185 62.300 0.054 0.000 1.008 160 V CB 1.959 33.824 31.823 0.069 0.000 1.064 160 V HN 0.115 nan 8.190 nan 0.000 0.434 161 V N 3.464 123.406 119.914 0.047 0.000 2.540 161 V HA 0.489 4.610 4.120 0.001 0.000 0.297 161 V C 1.752 177.872 176.094 0.042 0.000 1.024 161 V CA 1.900 64.228 62.300 0.046 0.000 1.105 161 V CB 0.038 31.890 31.823 0.049 0.000 0.938 161 V HN 2.164 nan 8.190 nan 0.000 0.482 162 G N 3.300 112.119 108.800 0.032 0.000 2.175 162 G HA2 -0.017 3.943 3.960 0.001 0.000 0.244 162 G HA3 -0.017 3.943 3.960 0.001 0.000 0.244 162 G C 1.004 175.885 174.900 -0.031 0.000 0.982 162 G CA 0.321 45.427 45.100 0.010 0.000 0.641 162 G HN 2.104 nan 8.290 nan 0.000 0.527 163 G N 0.090 108.884 108.800 -0.011 0.000 2.614 163 G HA2 -0.290 3.670 3.960 0.001 0.000 0.303 163 G HA3 -0.290 3.670 3.960 0.001 0.000 0.303 163 G C 1.184 176.040 174.900 -0.074 0.000 1.270 163 G CA 1.328 46.415 45.100 -0.021 0.000 0.988 163 G HN 1.111 nan 8.290 nan 0.000 0.551 164 M N 1.658 121.173 119.600 -0.141 0.000 2.557 164 M HA 0.035 4.515 4.480 0.001 0.000 0.259 164 M C 2.633 178.597 176.300 -0.560 0.000 1.086 164 M CA 1.589 56.675 55.300 -0.357 0.000 1.096 164 M CB -0.104 32.368 32.600 -0.213 0.000 1.424 164 M HN 0.670 nan 8.290 nan 0.000 0.488 165 S N -0.687 114.742 115.700 -0.452 0.000 2.561 165 S HA -0.056 4.415 4.470 0.001 0.000 0.225 165 S C 1.717 176.182 174.600 -0.226 0.000 0.977 165 S CA 1.038 58.870 58.200 -0.613 0.000 0.926 165 S CB -0.899 61.956 63.200 -0.575 0.000 0.769 165 S HN 0.564 nan 8.310 nan 0.000 0.533 166 T N -0.520 113.914 114.554 -0.201 0.000 3.085 166 T HA -0.002 4.349 4.350 0.001 0.000 0.263 166 T C 1.449 175.999 174.700 -0.251 0.000 1.127 166 T CA 0.938 62.952 62.100 -0.144 0.000 1.103 166 T CB -0.680 68.197 68.868 0.014 0.000 0.921 166 T HN 0.894 nan 8.240 nan 0.000 0.510 167 H N -1.933 117.061 119.070 -0.127 0.000 3.622 167 H HA 0.191 4.747 4.556 0.001 0.000 0.259 167 H C 0.693 176.224 175.328 0.339 0.000 1.145 167 H CA -0.928 55.191 56.048 0.117 0.000 1.178 167 H CB -0.497 29.332 29.762 0.111 0.000 1.542 167 H HN 0.488 nan 8.280 nan 0.000 0.586 168 W N 3.011 124.218 121.300 -0.155 0.000 2.124 168 W HA 0.203 4.864 4.660 0.001 0.000 0.356 168 W C 0.006 176.624 176.519 0.164 0.000 1.302 168 W CA 0.064 57.443 57.345 0.056 0.000 1.293 168 W CB -0.293 29.138 29.460 -0.048 0.000 1.199 168 W HN -0.165 nan 8.180 nan 0.000 0.606 169 T N 1.116 115.662 114.554 -0.013 0.000 3.113 169 T HA -0.004 4.347 4.350 0.001 0.000 0.256 169 T C 1.079 175.378 174.700 -0.668 0.000 1.131 169 T CA 1.065 62.981 62.100 -0.306 0.000 1.074 169 T CB -0.578 68.267 68.868 -0.038 0.000 0.944 169 T HN 0.663 nan 8.240 nan 0.000 0.516 170 C N 1.004 119.511 119.300 -1.323 0.000 4.497 170 C HA -0.127 4.333 4.460 0.001 0.000 0.268 170 C C 1.197 175.700 174.990 -0.811 0.000 1.343 170 C CA -0.740 57.215 59.018 -1.771 0.000 1.742 170 C CB -2.748 24.459 27.740 -0.888 0.000 1.450 170 C HN 0.776 nan 8.230 nan 0.000 0.733 171 A N 1.129 123.681 122.820 -0.446 0.000 2.451 171 A HA 0.521 4.841 4.320 0.001 0.000 0.266 171 A C 0.829 178.326 177.584 -0.145 0.000 1.119 171 A CA 1.241 53.161 52.037 -0.195 0.000 0.786 171 A CB 0.162 19.112 19.000 -0.084 0.000 1.061 171 A HN 1.447 nan 8.150 nan 0.000 0.503 172 T N 1.498 115.983 114.554 -0.114 0.000 3.504 172 T HA 0.495 4.846 4.350 0.001 0.000 0.286 172 T C -2.696 171.955 174.700 -0.082 0.000 1.530 172 T CA -1.397 60.670 62.100 -0.055 0.000 1.652 172 T CB 0.559 69.422 68.868 -0.009 0.000 0.895 172 T HN 0.458 nan 8.240 nan 0.000 0.674 173 P HA 0.358 nan 4.420 nan 0.000 0.277 173 P C -0.149 177.005 177.300 -0.244 0.000 1.240 173 P CA -0.565 62.429 63.100 -0.177 0.000 0.798 173 P CB 1.098 32.655 31.700 -0.238 0.000 0.979 174 R N 0.959 121.230 120.500 -0.381 0.000 2.582 174 R HA 0.367 4.707 4.340 0.001 0.000 0.271 174 R C 0.056 176.212 176.300 -0.240 0.000 1.078 174 R CA -0.375 55.296 56.100 -0.714 0.000 1.127 174 R CB 0.164 29.925 30.300 -0.899 0.000 1.038 174 R HN 0.380 nan 8.270 nan 0.000 0.500 175 F N 1.990 121.694 119.950 -0.410 0.000 2.396 175 F HA 0.060 4.588 4.527 0.001 0.000 0.343 175 F C 0.915 176.529 175.800 -0.311 0.000 1.104 175 F CA -1.647 56.153 58.000 -0.333 0.000 1.161 175 F CB 0.302 39.106 39.000 -0.328 0.000 1.146 175 F HN 0.530 nan 8.300 nan 0.000 0.522 176 D N 2.526 122.851 120.400 -0.125 0.000 2.371 176 D HA 0.092 4.732 4.640 0.001 0.000 0.242 176 D C 1.007 177.225 176.300 -0.137 0.000 1.218 176 D CA -0.410 53.521 54.000 -0.115 0.000 0.945 176 D CB 0.646 41.402 40.800 -0.074 0.000 1.137 176 D HN 0.501 nan 8.370 nan 0.000 0.464 177 R N -0.127 120.322 120.500 -0.085 0.000 2.117 177 R HA -0.207 4.134 4.340 0.001 0.000 0.243 177 R C 2.054 178.306 176.300 -0.080 0.000 1.143 177 R CA 1.783 57.836 56.100 -0.078 0.000 0.968 177 R CB -0.306 29.984 30.300 -0.016 0.000 0.863 177 R HN 0.713 nan 8.270 nan 0.000 0.444 178 E N 0.918 121.076 120.200 -0.070 0.000 2.160 178 E HA -0.251 4.100 4.350 0.001 0.000 0.195 178 E C 1.551 178.059 176.600 -0.152 0.000 0.991 178 E CA 1.408 57.780 56.400 -0.047 0.000 0.810 178 E CB 0.161 29.913 29.700 0.087 0.000 0.742 178 E HN 0.436 nan 8.360 nan 0.000 0.466 179 Q N -0.510 119.088 119.800 -0.336 0.000 2.384 179 Q HA 0.115 4.455 4.340 0.001 0.000 0.207 179 Q C 0.432 176.334 176.000 -0.164 0.000 0.904 179 Q CA -0.165 55.378 55.803 -0.432 0.000 0.933 179 Q CB 0.527 28.688 28.738 -0.963 0.000 1.077 179 Q HN -0.015 nan 8.270 nan 0.000 0.522 180 R N 2.024 122.460 120.500 -0.106 0.000 2.297 180 R HA 0.242 4.582 4.340 0.001 0.000 0.308 180 R C -2.532 173.726 176.300 -0.069 0.000 1.029 180 R CA -2.002 54.017 56.100 -0.135 0.000 0.929 180 R CB 0.704 30.744 30.300 -0.433 0.000 1.046 180 R HN -0.149 nan 8.270 nan 0.000 0.461 181 P HA -0.001 nan 4.420 nan 0.000 0.268 181 P C -0.721 176.741 177.300 0.269 0.000 1.205 181 P CA 0.043 63.229 63.100 0.143 0.000 0.771 181 P CB 0.505 32.328 31.700 0.205 0.000 0.858 182 L N 3.238 124.588 121.223 0.212 0.000 2.380 182 L HA 0.154 4.494 4.340 0.001 0.000 0.273 182 L C 1.511 178.528 176.870 0.245 0.000 1.138 182 L CA -0.037 54.999 54.840 0.325 0.000 0.832 182 L CB 0.240 42.553 42.059 0.422 0.000 1.124 182 L HN 0.411 nan 8.230 nan 0.000 0.454 183 L N 3.298 124.720 121.223 0.332 0.000 2.537 183 L HA 0.220 4.561 4.340 0.001 0.000 0.224 183 L C -0.147 176.919 176.870 0.327 0.000 1.065 183 L CA 0.211 55.133 54.840 0.138 0.000 0.860 183 L CB 0.759 42.707 42.059 -0.185 0.000 1.086 183 L HN 0.327 nan 8.230 nan 0.000 0.482 184 V N 1.024 121.142 119.914 0.340 0.000 2.588 184 V HA 0.266 4.386 4.120 0.001 0.000 0.304 184 V C -0.463 175.755 176.094 0.208 0.000 1.042 184 V CA -0.979 61.462 62.300 0.236 0.000 0.877 184 V CB 1.854 33.749 31.823 0.120 0.000 0.996 184 V HN 0.160 nan 8.190 nan 0.000 0.425 185 K N 2.148 122.520 120.400 -0.046 0.000 2.098 185 K HA 0.537 4.857 4.320 0.001 0.000 0.261 185 K C -0.442 176.124 176.600 -0.058 0.000 0.987 185 K CA -0.658 55.564 56.287 -0.109 0.000 0.916 185 K CB 0.879 33.133 32.500 -0.410 0.000 1.039 185 K HN 0.597 nan 8.250 nan 0.000 0.455 186 D N 0.713 121.104 120.400 -0.015 0.000 2.870 186 D HA -0.152 4.488 4.640 0.001 0.000 0.228 186 D C -0.852 175.454 176.300 0.011 0.000 1.147 186 D CA 1.439 55.435 54.000 -0.006 0.000 0.757 186 D CB -0.702 40.078 40.800 -0.032 0.000 1.091 186 D HN 0.763 nan 8.370 nan 0.000 0.429 187 D N -1.363 119.057 120.400 0.034 0.000 2.668 187 D HA 0.366 5.006 4.640 0.001 0.000 0.234 187 D C 0.907 177.247 176.300 0.066 0.000 1.349 187 D CA 0.246 54.271 54.000 0.041 0.000 0.889 187 D CB 0.308 41.127 40.800 0.031 0.000 1.520 187 D HN -0.010 nan 8.370 nan 0.000 0.521 188 A N 2.185 125.045 122.820 0.067 0.000 1.940 188 A HA -0.173 4.147 4.320 0.001 0.000 0.219 188 A C 1.603 179.239 177.584 0.086 0.000 1.176 188 A CA 1.574 53.662 52.037 0.084 0.000 0.631 188 A CB -0.033 19.008 19.000 0.069 0.000 0.814 188 A HN 0.419 nan 8.150 nan 0.000 0.446 189 D N 0.092 120.531 120.400 0.065 0.000 2.117 189 D HA -0.014 4.626 4.640 0.001 0.000 0.197 189 D C 2.212 178.552 176.300 0.067 0.000 0.987 189 D CA 1.594 55.631 54.000 0.061 0.000 0.829 189 D CB -0.400 40.426 40.800 0.044 0.000 0.961 189 D HN 0.427 nan 8.370 nan 0.000 0.460 190 A N 0.490 123.346 122.820 0.061 0.000 1.930 190 A HA -0.186 4.134 4.320 0.001 0.000 0.217 190 A C 1.924 179.555 177.584 0.078 0.000 1.175 190 A CA 1.905 53.974 52.037 0.054 0.000 0.627 190 A CB -0.647 18.378 19.000 0.042 0.000 0.815 190 A HN 0.191 nan 8.150 nan 0.000 0.443 191 D N -0.177 120.294 120.400 0.119 0.000 2.097 191 D HA -0.158 4.483 4.640 0.001 0.000 0.195 191 D C 1.292 177.752 176.300 0.268 0.000 0.989 191 D CA 1.548 55.666 54.000 0.197 0.000 0.827 191 D CB -0.118 40.829 40.800 0.245 0.000 0.966 191 D HN 0.335 nan 8.370 nan 0.000 0.456 192 D N -0.275 120.250 120.400 0.208 0.000 2.123 192 D HA -0.127 4.513 4.640 0.001 0.000 0.196 192 D C 1.968 178.378 176.300 0.183 0.000 0.992 192 D CA 1.443 55.566 54.000 0.207 0.000 0.833 192 D CB -0.520 40.358 40.800 0.129 0.000 0.954 192 D HN 0.324 nan 8.370 nan 0.000 0.455 193 A N 0.582 123.471 122.820 0.115 0.000 1.930 193 A HA -0.179 4.141 4.320 0.001 0.000 0.217 193 A C 2.136 179.747 177.584 0.046 0.000 1.175 193 A CA 1.849 53.930 52.037 0.072 0.000 0.627 193 A CB -0.480 18.546 19.000 0.043 0.000 0.815 193 A HN 0.217 nan 8.150 nan 0.000 0.443 194 E N -0.983 119.225 120.200 0.012 0.000 2.047 194 E HA -0.198 4.153 4.350 0.001 0.000 0.191 194 E C 1.695 178.202 176.600 -0.155 0.000 0.987 194 E CA 1.474 57.806 56.400 -0.113 0.000 0.799 194 E CB -0.411 29.166 29.700 -0.204 0.000 0.752 194 E HN 0.716 nan 8.360 nan 0.000 0.449 195 W N 0.856 122.124 121.300 -0.053 0.000 2.358 195 W HA -0.124 4.537 4.660 0.001 0.000 0.303 195 W C 2.180 178.702 176.519 0.006 0.000 1.208 195 W CA 1.159 58.441 57.345 -0.104 0.000 1.274 195 W CB -0.357 29.088 29.460 -0.025 0.000 1.138 195 W HN 0.244 nan 8.180 nan 0.000 0.515 196 D N 0.019 120.596 120.400 0.295 0.000 2.144 196 D HA -0.203 4.437 4.640 0.001 0.000 0.199 196 D C 2.115 178.490 176.300 0.124 0.000 0.984 196 D CA 1.381 55.516 54.000 0.226 0.000 0.834 196 D CB -0.205 40.683 40.800 0.146 0.000 0.955 196 D HN 0.012 nan 8.370 nan 0.000 0.465 197 R N -0.372 120.151 120.500 0.039 0.000 2.066 197 R HA -0.049 4.291 4.340 0.001 0.000 0.232 197 R C 2.532 178.790 176.300 -0.069 0.000 1.131 197 R CA 1.012 57.098 56.100 -0.024 0.000 0.955 197 R CB -0.276 29.988 30.300 -0.060 0.000 0.851 197 R HN 0.230 nan 8.270 nan 0.000 0.432 198 L N -0.452 120.689 121.223 -0.135 0.000 2.017 198 L HA -0.202 4.139 4.340 0.001 0.000 0.208 198 L C 2.397 179.192 176.870 -0.124 0.000 1.073 198 L CA 1.286 55.992 54.840 -0.223 0.000 0.745 198 L CB -0.699 41.116 42.059 -0.407 0.000 0.894 198 L HN 0.212 nan 8.230 nan 0.000 0.432 199 Y N 0.468 120.769 120.300 0.002 0.000 2.165 199 Y HA -0.253 4.297 4.550 0.001 0.000 0.286 199 Y C 2.900 178.783 175.900 -0.029 0.000 1.155 199 Y CA 1.637 59.748 58.100 0.017 0.000 1.164 199 Y CB -1.207 37.295 38.460 0.070 0.000 0.978 199 Y HN 0.151 nan 8.280 nan 0.000 0.513 200 T N -0.411 114.220 114.554 0.128 0.000 2.746 200 T HA -0.206 4.144 4.350 0.001 0.000 0.267 200 T C 1.972 176.646 174.700 -0.044 0.000 1.039 200 T CA 1.658 63.783 62.100 0.042 0.000 1.142 200 T CB -0.170 68.713 68.868 0.026 0.000 0.866 200 T HN 0.232 nan 8.240 nan 0.000 0.444 201 K N 0.857 121.175 120.400 -0.137 0.000 2.057 201 K HA 0.015 4.335 4.320 0.001 0.000 0.206 201 K C 2.488 178.793 176.600 -0.491 0.000 1.050 201 K CA 1.122 57.205 56.287 -0.339 0.000 0.935 201 K CB -0.269 31.972 32.500 -0.431 0.000 0.715 201 K HN 0.271 nan 8.250 nan 0.000 0.439 202 A N 1.123 123.759 122.820 -0.306 0.000 1.930 202 A HA -0.175 4.145 4.320 0.001 0.000 0.217 202 A C 1.793 179.403 177.584 0.044 0.000 1.175 202 A CA 1.614 53.533 52.037 -0.198 0.000 0.627 202 A CB -0.432 18.558 19.000 -0.017 0.000 0.815 202 A HN 0.436 nan 8.150 nan 0.000 0.443 203 E N -0.522 119.737 120.200 0.097 0.000 2.153 203 E HA -0.141 4.209 4.350 0.001 0.000 0.194 203 E C 2.221 178.909 176.600 0.146 0.000 0.988 203 E CA 1.116 57.613 56.400 0.161 0.000 0.811 203 E CB -0.134 29.629 29.700 0.105 0.000 0.746 203 E HN 0.603 nan 8.360 nan 0.000 0.466 204 S N -0.412 115.328 115.700 0.066 0.000 2.355 204 S HA -0.160 4.311 4.470 0.001 0.000 0.222 204 S C 1.803 176.548 174.600 0.242 0.000 1.031 204 S CA 0.886 59.151 58.200 0.108 0.000 0.993 204 S CB -0.195 63.032 63.200 0.046 0.000 0.859 204 S HN 0.267 nan 8.310 nan 0.000 0.453 205 Y N 0.372 120.685 120.300 0.022 0.000 2.128 205 Y HA 0.003 4.554 4.550 0.001 0.000 0.284 205 Y C 2.085 178.016 175.900 0.053 0.000 1.154 205 Y CA 0.464 58.547 58.100 -0.030 0.000 1.149 205 Y CB -1.176 37.185 38.460 -0.166 0.000 0.976 205 Y HN 0.329 nan 8.280 nan 0.000 0.505 206 F N 0.327 120.437 119.950 0.267 0.000 2.780 206 F HA 0.008 4.535 4.527 0.001 0.000 0.299 206 F C 0.816 176.727 175.800 0.186 0.000 1.146 206 F CA 0.242 58.386 58.000 0.241 0.000 1.428 206 F CB -0.378 38.786 39.000 0.274 0.000 1.115 206 F HN 0.026 nan 8.300 nan 0.000 0.583 207 Q N 0.334 120.322 119.800 0.314 0.000 2.463 207 Q HA -0.192 4.148 4.340 0.001 0.000 0.299 207 Q C 0.083 176.169 176.000 0.145 0.000 1.353 207 Q CA 0.777 56.692 55.803 0.186 0.000 0.828 207 Q CB -2.703 26.121 28.738 0.143 0.000 1.157 207 Q HN 0.222 nan 8.270 nan 0.000 0.436 208 T N 0.008 114.661 114.554 0.164 0.000 2.916 208 T HA 0.465 4.816 4.350 0.001 0.000 0.303 208 T C 0.782 175.514 174.700 0.052 0.000 1.025 208 T CA 0.563 62.723 62.100 0.100 0.000 1.142 208 T CB 1.348 70.282 68.868 0.111 0.000 0.947 208 T HN 0.491 nan 8.240 nan 0.000 0.544 209 G N 0.518 109.333 108.800 0.025 0.000 2.692 209 G HA2 0.536 4.497 3.960 0.001 0.000 0.291 209 G HA3 0.536 4.497 3.960 0.001 0.000 0.291 209 G C 0.109 175.018 174.900 0.015 0.000 1.423 209 G CA -0.552 44.555 45.100 0.011 0.000 0.843 209 G HN 0.638 nan 8.290 nan 0.000 0.486 210 T N -2.461 112.102 114.554 0.015 0.000 3.231 210 T HA 0.254 4.604 4.350 0.001 0.000 0.292 210 T C 0.266 174.983 174.700 0.028 0.000 1.001 210 T CA 0.597 62.714 62.100 0.029 0.000 0.920 210 T CB 0.330 69.216 68.868 0.030 0.000 1.140 210 T HN 0.522 nan 8.240 nan 0.000 0.525 211 D N 0.454 120.856 120.400 0.004 0.000 2.500 211 D HA 0.033 4.673 4.640 0.001 0.000 0.217 211 D C 1.250 177.504 176.300 -0.078 0.000 1.159 211 D CA -0.053 53.930 54.000 -0.029 0.000 0.828 211 D CB 0.005 40.780 40.800 -0.042 0.000 1.039 211 D HN 0.275 nan 8.370 nan 0.000 0.512 212 Q N -0.362 119.401 119.800 -0.061 0.000 2.436 212 Q HA 0.127 4.467 4.340 0.001 0.000 0.209 212 Q C 0.318 175.995 176.000 -0.539 0.000 0.965 212 Q CA 0.892 56.543 55.803 -0.254 0.000 0.910 212 Q CB -0.221 28.354 28.738 -0.271 0.000 0.980 212 Q HN 0.277 nan 8.270 nan 0.000 0.491 213 F N -0.216 119.594 119.950 -0.233 0.000 2.724 213 F HA 0.226 4.753 4.527 0.001 0.000 0.310 213 F C 1.290 176.897 175.800 -0.322 0.000 1.107 213 F CA -0.556 57.276 58.000 -0.280 0.000 1.218 213 F CB 0.355 39.154 39.000 -0.334 0.000 1.042 213 F HN -0.010 nan 8.300 nan 0.000 0.540 214 K N 0.456 120.766 120.400 -0.150 0.000 2.211 214 K HA -0.184 4.136 4.320 0.001 0.000 0.204 214 K C 1.050 177.603 176.600 -0.078 0.000 1.047 214 K CA 1.806 58.047 56.287 -0.078 0.000 0.935 214 K CB -0.224 32.233 32.500 -0.071 0.000 0.728 214 K HN 0.296 nan 8.250 nan 0.000 0.452 215 E N 1.586 121.653 120.200 -0.221 0.000 2.394 215 E HA 0.064 4.414 4.350 0.001 0.000 0.191 215 E C -0.830 175.720 176.600 -0.083 0.000 1.044 215 E CA -0.356 55.790 56.400 -0.422 0.000 0.939 215 E CB 0.633 29.924 29.700 -0.682 0.000 1.089 215 E HN 0.228 nan 8.360 nan 0.000 0.456 216 S N 0.334 116.089 115.700 0.092 0.000 2.474 216 S HA 0.166 4.637 4.470 0.001 0.000 0.276 216 S C 1.273 176.021 174.600 0.247 0.000 1.227 216 S CA -0.444 57.860 58.200 0.172 0.000 1.050 216 S CB 0.386 63.726 63.200 0.233 0.000 0.939 216 S HN 0.297 nan 8.310 nan 0.000 0.490 217 I N 5.133 125.716 120.570 0.023 0.000 2.163 217 I HA -0.212 3.959 4.170 0.001 0.000 0.243 217 I C 2.660 178.769 176.117 -0.014 0.000 1.085 217 I CA 1.352 62.473 61.300 -0.299 0.000 1.347 217 I CB -0.187 37.356 38.000 -0.762 0.000 1.044 217 I HN 0.689 nan 8.210 nan 0.000 0.408 218 R N -0.649 119.870 120.500 0.030 0.000 2.075 218 R HA -0.200 4.140 4.340 0.001 0.000 0.232 218 R C 2.355 178.736 176.300 0.135 0.000 1.126 218 R CA 1.548 57.693 56.100 0.074 0.000 0.963 218 R CB -0.639 29.697 30.300 0.059 0.000 0.858 218 R HN 0.428 nan 8.270 nan 0.000 0.435 219 H N 1.261 120.397 119.070 0.109 0.000 2.319 219 H HA -0.082 4.475 4.556 0.001 0.000 0.299 219 H C 1.878 177.300 175.328 0.158 0.000 1.092 219 H CA 1.957 58.079 56.048 0.123 0.000 1.302 219 H CB -0.116 29.745 29.762 0.165 0.000 1.373 219 H HN 0.132 nan 8.280 nan 0.000 0.497 220 N N -0.044 118.821 118.700 0.275 0.000 2.069 220 N HA -0.157 4.583 4.740 0.001 0.000 0.191 220 N C 2.015 177.640 175.510 0.192 0.000 1.031 220 N CA 1.276 54.496 53.050 0.283 0.000 0.852 220 N CB -0.320 38.534 38.487 0.611 0.000 1.018 220 N HN 0.275 nan 8.380 nan 0.000 0.423 221 L N 1.585 122.962 121.223 0.257 0.000 2.013 221 L HA -0.163 4.177 4.340 0.001 0.000 0.212 221 L C 2.264 179.181 176.870 0.079 0.000 1.073 221 L CA 1.383 56.346 54.840 0.205 0.000 0.753 221 L CB -0.730 41.441 42.059 0.187 0.000 0.890 221 L HN -0.069 nan 8.230 nan 0.000 0.432 222 V N -0.804 119.124 119.914 0.023 0.000 2.244 222 V HA -0.303 3.817 4.120 0.001 0.000 0.244 222 V C 2.451 178.477 176.094 -0.113 0.000 1.042 222 V CA 1.978 64.258 62.300 -0.034 0.000 1.006 222 V CB -0.629 31.149 31.823 -0.075 0.000 0.641 222 V HN 0.496 nan 8.190 nan 0.000 0.446 223 L N 0.447 121.559 121.223 -0.185 0.000 2.012 223 L HA -0.221 4.120 4.340 0.001 0.000 0.210 223 L C 2.447 179.220 176.870 -0.162 0.000 1.073 223 L CA 1.944 56.658 54.840 -0.210 0.000 0.748 223 L CB -0.479 41.438 42.059 -0.238 0.000 0.891 223 L HN 0.402 nan 8.230 nan 0.000 0.431 224 N N -0.122 118.535 118.700 -0.073 0.000 2.309 224 N HA -0.204 4.536 4.740 0.001 0.000 0.182 224 N C 1.727 177.194 175.510 -0.072 0.000 1.018 224 N CA 1.027 54.049 53.050 -0.048 0.000 0.876 224 N CB -0.218 38.263 38.487 -0.011 0.000 0.972 224 N HN 0.239 nan 8.380 nan 0.000 0.434 225 K N 1.412 121.769 120.400 -0.071 0.000 2.031 225 K HA 0.117 4.437 4.320 0.001 0.000 0.205 225 K C 1.955 178.492 176.600 -0.106 0.000 1.049 225 K CA 0.762 57.012 56.287 -0.062 0.000 0.939 225 K CB -0.454 32.033 32.500 -0.022 0.000 0.717 225 K HN 0.081 nan 8.250 nan 0.000 0.438 226 L N 0.101 121.200 121.223 -0.208 0.000 2.046 226 L HA -0.145 4.195 4.340 0.001 0.000 0.208 226 L C 2.494 179.168 176.870 -0.328 0.000 1.077 226 L CA 1.844 56.484 54.840 -0.333 0.000 0.747 226 L CB -0.867 40.709 42.059 -0.805 0.000 0.896 226 L HN 0.336 nan 8.230 nan 0.000 0.432 227 T N -0.725 113.604 114.554 -0.374 0.000 2.881 227 T HA -0.186 4.164 4.350 0.001 0.000 0.270 227 T C 1.647 176.384 174.700 0.061 0.000 1.068 227 T CA 1.334 63.414 62.100 -0.034 0.000 1.131 227 T CB -0.110 68.798 68.868 0.067 0.000 0.871 227 T HN 0.356 nan 8.240 nan 0.000 0.479 228 E N 0.100 120.294 120.200 -0.010 0.000 2.268 228 E HA -0.068 4.282 4.350 0.001 0.000 0.195 228 E C 1.973 178.562 176.600 -0.018 0.000 0.995 228 E CA 0.762 57.157 56.400 -0.009 0.000 0.836 228 E CB 0.107 29.784 29.700 -0.040 0.000 0.763 228 E HN 0.588 nan 8.360 nan 0.000 0.491 229 E N -0.632 119.544 120.200 -0.039 0.000 2.472 229 E HA -0.013 4.337 4.350 0.001 0.000 0.196 229 E C 0.312 176.700 176.600 -0.353 0.000 1.033 229 E CA 0.210 56.492 56.400 -0.197 0.000 0.886 229 E CB 0.425 29.954 29.700 -0.285 0.000 0.944 229 E HN 0.378 nan 8.360 nan 0.000 0.492 230 Y N 0.768 121.110 120.300 0.069 0.000 2.607 230 Y HA 0.184 4.734 4.550 0.001 0.000 0.266 230 Y C 0.304 176.250 175.900 0.078 0.000 1.178 230 Y CA -0.154 58.007 58.100 0.101 0.000 1.226 230 Y CB 0.350 38.930 38.460 0.199 0.000 1.144 230 Y HN -0.135 nan 8.280 nan 0.000 0.528 231 K N -0.657 119.811 120.400 0.113 0.000 3.209 231 K HA -0.259 4.061 4.320 0.001 0.000 0.289 231 K C 1.208 177.869 176.600 0.101 0.000 1.191 231 K CA 0.600 56.937 56.287 0.083 0.000 0.851 231 K CB -1.909 30.634 32.500 0.072 0.000 1.242 231 K HN 0.690 nan 8.250 nan 0.000 0.480 232 G N 0.201 109.080 108.800 0.132 0.000 2.168 232 G HA2 -0.343 3.617 3.960 0.001 0.000 0.263 232 G HA3 -0.343 3.617 3.960 0.001 0.000 0.263 232 G C 0.584 175.550 174.900 0.109 0.000 0.977 232 G CA 0.774 45.943 45.100 0.115 0.000 0.659 232 G HN 0.347 nan 8.290 nan 0.000 0.533 233 Q N -0.730 119.152 119.800 0.135 0.000 2.356 233 Q HA 0.184 4.525 4.340 0.001 0.000 0.205 233 Q C 1.181 177.214 176.000 0.054 0.000 0.901 233 Q CA 0.487 56.349 55.803 0.098 0.000 0.938 233 Q CB 0.645 29.454 28.738 0.118 0.000 1.081 233 Q HN 0.664 nan 8.270 nan 0.000 0.517 234 R N 1.164 121.698 120.500 0.057 0.000 2.473 234 R HA 0.295 4.635 4.340 0.001 0.000 0.303 234 R C -1.166 175.046 176.300 -0.146 0.000 1.002 234 R CA -0.522 55.489 56.100 -0.148 0.000 0.884 234 R CB 1.329 31.399 30.300 -0.382 0.000 1.173 234 R HN -0.077 nan 8.270 nan 0.000 0.464 235 D N 2.398 122.677 120.400 -0.202 0.000 2.302 235 D HA 0.206 4.846 4.640 0.001 0.000 0.248 235 D C -0.536 175.577 176.300 -0.313 0.000 1.094 235 D CA 0.390 54.333 54.000 -0.095 0.000 0.897 235 D CB 0.741 41.510 40.800 -0.052 0.000 1.200 235 D HN 0.172 nan 8.370 nan 0.000 0.429 236 F N 1.090 121.032 119.950 -0.015 0.000 2.469 236 F HA 0.335 4.862 4.527 0.001 0.000 0.332 236 F C 0.742 176.548 175.800 0.009 0.000 1.103 236 F CA -0.670 57.318 58.000 -0.019 0.000 0.979 236 F CB 1.497 40.488 39.000 -0.016 0.000 1.137 236 F HN 0.197 nan 8.300 nan 0.000 0.463 237 Q N 0.703 120.592 119.800 0.149 0.000 2.687 237 Q HA 0.411 4.751 4.340 0.001 0.000 0.305 237 Q C -1.342 174.759 176.000 0.169 0.000 1.006 237 Q CA -1.305 54.581 55.803 0.138 0.000 0.763 237 Q CB 1.739 30.522 28.738 0.075 0.000 1.506 237 Q HN 0.612 nan 8.270 nan 0.000 0.459 238 Q N 0.842 120.758 119.800 0.193 0.000 2.352 238 Q HA 0.233 4.574 4.340 0.001 0.000 0.260 238 Q C -0.558 175.500 176.000 0.097 0.000 0.976 238 Q CA -0.273 55.652 55.803 0.204 0.000 0.881 238 Q CB 0.552 29.370 28.738 0.135 0.000 1.235 238 Q HN 0.584 nan 8.270 nan 0.000 0.419 239 I N 6.537 127.146 120.570 0.065 0.000 2.821 239 I HA -0.072 4.098 4.170 0.001 0.000 0.294 239 I C -1.970 174.153 176.117 0.010 0.000 1.210 239 I CA -1.284 60.027 61.300 0.019 0.000 1.430 239 I CB 0.107 38.090 38.000 -0.028 0.000 1.356 239 I HN 0.456 nan 8.210 nan 0.000 0.563 240 P HA 0.208 nan 4.420 nan 0.000 0.271 240 P C -0.900 176.383 177.300 -0.028 0.000 1.233 240 P CA 0.153 63.247 63.100 -0.011 0.000 0.764 240 P CB 0.420 32.101 31.700 -0.031 0.000 0.825 241 L N 2.549 123.766 121.223 -0.010 0.000 2.362 241 L HA 0.608 4.949 4.340 0.001 0.000 0.275 241 L C 0.382 177.236 176.870 -0.027 0.000 0.998 241 L CA -1.136 53.694 54.840 -0.016 0.000 0.820 241 L CB 2.026 44.139 42.059 0.090 0.000 1.270 241 L HN 0.258 nan 8.230 nan 0.000 0.415 242 A N 3.377 126.138 122.820 -0.099 0.000 2.671 242 A HA 0.740 5.061 4.320 0.001 0.000 0.306 242 A C 0.084 177.683 177.584 0.026 0.000 1.473 242 A CA 0.152 52.177 52.037 -0.019 0.000 1.155 242 A CB -0.369 18.563 19.000 -0.113 0.000 1.123 242 A HN 0.804 nan 8.150 nan 0.000 0.545 243 A N 1.799 124.606 122.820 -0.022 0.000 2.583 243 A HA 0.765 5.085 4.320 0.001 0.000 0.292 243 A C -0.534 176.933 177.584 -0.195 0.000 1.045 243 A CA -0.475 51.445 52.037 -0.195 0.000 0.672 243 A CB 0.782 19.474 19.000 -0.513 0.000 1.283 243 A HN 0.689 nan 8.150 nan 0.000 0.419 244 T N 1.188 115.591 114.554 -0.251 0.000 2.928 244 T HA 0.486 4.836 4.350 0.001 0.000 0.296 244 T C -0.222 174.322 174.700 -0.261 0.000 1.000 244 T CA -0.461 61.526 62.100 -0.187 0.000 0.989 244 T CB 1.342 70.158 68.868 -0.087 0.000 1.005 244 T HN 0.755 nan 8.240 nan 0.000 0.442 245 R N 2.212 122.548 120.500 -0.273 0.000 2.389 245 R HA 0.276 4.616 4.340 0.001 0.000 0.295 245 R C 0.739 176.956 176.300 -0.137 0.000 1.075 245 R CA -0.403 55.532 56.100 -0.276 0.000 1.005 245 R CB 0.400 30.506 30.300 -0.323 0.000 0.987 245 R HN 0.398 nan 8.270 nan 0.000 0.452 246 R N 1.107 121.581 120.500 -0.044 0.000 2.254 246 R HA 0.131 4.471 4.340 0.001 0.000 0.193 246 R C 0.188 176.482 176.300 -0.010 0.000 0.929 246 R CA 0.614 56.722 56.100 0.013 0.000 1.038 246 R CB 0.322 30.690 30.300 0.114 0.000 1.009 246 R HN 0.762 nan 8.270 nan 0.000 0.512 247 S N -1.434 114.261 115.700 -0.008 0.000 2.636 247 S HA 0.372 4.842 4.470 0.001 0.000 0.268 247 S C -2.645 171.919 174.600 -0.060 0.000 1.159 247 S CA -1.078 57.107 58.200 -0.026 0.000 0.815 247 S CB 2.194 65.400 63.200 0.010 0.000 1.130 247 S HN -0.263 nan 8.310 nan 0.000 0.471 248 P HA 0.027 nan 4.420 nan 0.000 0.223 248 P C 0.979 178.241 177.300 -0.063 0.000 1.144 248 P CA 1.693 64.742 63.100 -0.085 0.000 0.783 248 P CB -0.213 31.454 31.700 -0.055 0.000 0.771 249 T N -7.146 107.403 114.554 -0.008 0.000 3.111 249 T HA 0.280 4.630 4.350 0.001 0.000 0.284 249 T C -0.220 174.539 174.700 0.097 0.000 0.983 249 T CA -0.336 61.784 62.100 0.033 0.000 0.900 249 T CB -0.534 68.373 68.868 0.064 0.000 1.132 249 T HN -0.106 nan 8.240 nan 0.000 0.531 250 F N 1.689 121.583 119.950 -0.095 0.000 2.547 250 F HA 0.689 5.217 4.527 0.001 0.000 0.316 250 F C -1.524 174.158 175.800 -0.197 0.000 1.121 250 F CA -1.043 56.899 58.000 -0.097 0.000 0.911 250 F CB 2.009 40.966 39.000 -0.072 0.000 1.179 250 F HN -0.117 nan 8.300 nan 0.000 0.443 251 V N 5.075 124.483 119.914 -0.843 0.000 2.487 251 V HA 0.262 4.382 4.120 0.001 0.000 0.298 251 V C -0.502 174.957 176.094 -1.059 0.000 1.028 251 V CA -0.886 60.890 62.300 -0.874 0.000 0.860 251 V CB 1.689 32.845 31.823 -1.112 0.000 0.991 251 V HN 0.736 nan 8.190 nan 0.000 0.427 252 E N 4.468 124.349 120.200 -0.533 0.000 1.941 252 E HA 0.159 4.510 4.350 0.001 0.000 0.275 252 E C -1.041 175.353 176.600 -0.345 0.000 1.113 252 E CA -0.540 55.722 56.400 -0.229 0.000 0.878 252 E CB 0.397 30.128 29.700 0.052 0.000 1.070 252 E HN 0.623 nan 8.360 nan 0.000 0.399 253 W N 2.853 124.038 121.300 -0.193 0.000 2.190 253 W HA 0.119 4.779 4.660 0.001 0.000 0.330 253 W C 0.628 177.166 176.519 0.033 0.000 1.299 253 W CA -0.537 56.683 57.345 -0.207 0.000 1.215 253 W CB 0.796 29.905 29.460 -0.586 0.000 1.147 253 W HN 0.301 nan 8.180 nan 0.000 0.563 254 S N 1.542 117.447 115.700 0.343 0.000 2.645 254 S HA 0.668 5.139 4.470 0.001 0.000 0.266 254 S C 0.119 175.166 174.600 0.746 0.000 1.258 254 S CA -0.583 57.894 58.200 0.461 0.000 0.990 254 S CB 1.298 64.777 63.200 0.465 0.000 0.967 254 S HN 0.527 nan 8.310 nan 0.000 0.556 255 S N -0.581 115.508 115.700 0.648 0.000 2.683 255 S HA 0.661 5.131 4.470 0.001 0.000 0.269 255 S C 0.776 175.579 174.600 0.338 0.000 1.165 255 S CA -0.303 58.215 58.200 0.530 0.000 0.840 255 S CB 0.391 63.827 63.200 0.394 0.000 1.169 255 S HN 0.774 nan 8.310 nan 0.000 0.490 256 A N 1.763 124.675 122.820 0.154 0.000 1.903 256 A HA -0.228 4.093 4.320 0.001 0.000 0.219 256 A C 2.027 179.657 177.584 0.077 0.000 1.191 256 A CA 2.342 54.423 52.037 0.074 0.000 0.638 256 A CB -1.698 17.318 19.000 0.027 0.000 0.823 256 A HN 0.886 nan 8.150 nan 0.000 0.451 257 N N -0.741 118.015 118.700 0.092 0.000 2.205 257 N HA -0.159 4.581 4.740 0.001 0.000 0.186 257 N C 1.529 177.066 175.510 0.044 0.000 1.015 257 N CA 2.027 55.107 53.050 0.049 0.000 0.862 257 N CB -0.215 38.316 38.487 0.074 0.000 0.986 257 N HN 0.507 nan 8.380 nan 0.000 0.429 258 T N 0.350 114.977 114.554 0.121 0.000 2.777 258 T HA -0.049 4.301 4.350 0.001 0.000 0.266 258 T C 2.082 176.810 174.700 0.046 0.000 1.040 258 T CA 1.082 63.255 62.100 0.122 0.000 1.141 258 T CB -0.182 68.836 68.868 0.249 0.000 0.868 258 T HN 0.052 nan 8.240 nan 0.000 0.444 259 V N -0.386 119.538 119.914 0.017 0.000 2.323 259 V HA 0.153 4.274 4.120 0.001 0.000 0.244 259 V C 0.511 176.555 176.094 -0.084 0.000 1.041 259 V CA 0.970 63.196 62.300 -0.123 0.000 1.025 259 V CB -0.358 31.347 31.823 -0.196 0.000 0.656 259 V HN 0.472 nan 8.190 nan 0.000 0.451 260 F N 0.961 120.783 119.950 -0.213 0.000 2.604 260 F HA 0.396 4.923 4.527 0.001 0.000 0.316 260 F C 0.235 175.922 175.800 -0.189 0.000 1.136 260 F CA -1.714 56.134 58.000 -0.253 0.000 0.989 260 F CB 1.475 40.275 39.000 -0.333 0.000 1.258 260 F HN 0.149 nan 8.300 nan 0.000 0.451 261 D N 4.757 124.683 120.400 -0.789 0.000 2.371 261 D HA -0.055 4.585 4.640 0.001 0.000 0.221 261 D C 1.201 177.233 176.300 -0.447 0.000 0.986 261 D CA 1.099 54.810 54.000 -0.482 0.000 0.899 261 D CB -0.038 40.540 40.800 -0.369 0.000 0.902 261 D HN 0.699 nan 8.370 nan 0.000 0.530 262 L N -1.840 118.948 121.223 -0.725 0.000 4.696 262 L HA -0.235 4.105 4.340 0.001 0.000 0.425 262 L C -0.181 176.662 176.870 -0.044 0.000 1.115 262 L CA 0.446 55.143 54.840 -0.238 0.000 0.996 262 L CB -1.356 40.709 42.059 0.009 0.000 2.077 262 L HN 0.215 nan 8.230 nan 0.000 0.792 263 Q N 0.916 120.591 119.800 -0.207 0.000 2.327 263 Q HA 0.248 4.588 4.340 0.001 0.000 0.254 263 Q C 0.363 176.436 176.000 0.122 0.000 0.952 263 Q CA -0.130 55.642 55.803 -0.051 0.000 0.884 263 Q CB 0.674 29.346 28.738 -0.109 0.000 1.224 263 Q HN 0.134 nan 8.270 nan 0.000 0.422 264 N N 1.957 120.724 118.700 0.111 0.000 2.492 264 N HA 0.120 4.861 4.740 0.001 0.000 0.260 264 N C -0.290 175.297 175.510 0.128 0.000 1.215 264 N CA 0.314 53.438 53.050 0.124 0.000 0.923 264 N CB 0.642 39.106 38.487 -0.038 0.000 1.092 264 N HN 0.243 nan 8.380 nan 0.000 0.448 265 R N 1.337 121.952 120.500 0.191 0.000 2.750 265 R HA 0.475 4.816 4.340 0.001 0.000 0.281 265 R C -2.410 173.990 176.300 0.166 0.000 0.972 265 R CA -1.632 54.572 56.100 0.174 0.000 0.912 265 R CB 1.949 32.389 30.300 0.233 0.000 1.187 265 R HN 0.391 nan 8.270 nan 0.000 0.464 266 P HA 0.049 nan 4.420 nan 0.000 0.271 266 P C -1.342 176.016 177.300 0.096 0.000 1.218 266 P CA -0.138 63.060 63.100 0.165 0.000 0.780 266 P CB 0.675 32.517 31.700 0.237 0.000 0.901 267 N N -0.586 118.154 118.700 0.066 0.000 2.902 267 N HA 0.233 4.973 4.740 0.001 0.000 0.268 267 N C 0.615 176.135 175.510 0.016 0.000 1.450 267 N CA -0.757 52.313 53.050 0.033 0.000 0.819 267 N CB -0.511 37.986 38.487 0.017 0.000 1.540 267 N HN 0.046 nan 8.380 nan 0.000 0.545 268 T N -0.532 114.025 114.554 0.004 0.000 2.759 268 T HA -0.118 4.232 4.350 0.001 0.000 0.269 268 T C 0.132 174.824 174.700 -0.013 0.000 1.042 268 T CA 2.110 64.207 62.100 -0.004 0.000 1.140 268 T CB -0.545 68.318 68.868 -0.007 0.000 0.864 268 T HN 0.623 nan 8.240 nan 0.000 0.455 269 D N 0.841 121.231 120.400 -0.017 0.000 2.305 269 D HA 0.305 4.946 4.640 0.001 0.000 0.206 269 D C 0.822 177.109 176.300 -0.023 0.000 0.974 269 D CA 0.525 54.510 54.000 -0.025 0.000 0.871 269 D CB 0.212 40.991 40.800 -0.035 0.000 0.947 269 D HN 0.371 nan 8.370 nan 0.000 0.516 270 A N 0.853 123.666 122.820 -0.012 0.000 3.370 270 A HA 0.285 4.605 4.320 0.001 0.000 0.295 270 A C -1.984 175.601 177.584 0.002 0.000 1.030 270 A CA -0.875 51.159 52.037 -0.004 0.000 0.883 270 A CB 0.592 19.602 19.000 0.016 0.000 1.191 270 A HN -0.120 nan 8.150 nan 0.000 0.507 271 P HA -0.067 nan 4.420 nan 0.000 0.230 271 P C 0.306 177.522 177.300 -0.139 0.000 1.158 271 P CA 1.099 64.176 63.100 -0.039 0.000 0.769 271 P CB 0.498 32.163 31.700 -0.059 0.000 0.807 272 E N -0.269 119.809 120.200 -0.203 0.000 2.501 272 E HA 0.161 4.511 4.350 0.001 0.000 0.201 272 E C 0.352 176.866 176.600 -0.143 0.000 1.016 272 E CA 0.069 56.193 56.400 -0.460 0.000 0.920 272 E CB 0.576 30.044 29.700 -0.387 0.000 1.023 272 E HN 0.499 nan 8.360 nan 0.000 0.474 273 E N 0.883 121.123 120.200 0.067 0.000 2.227 273 E HA 0.502 4.852 4.350 0.001 0.000 0.268 273 E C -0.182 176.596 176.600 0.297 0.000 0.990 273 E CA -0.592 55.916 56.400 0.180 0.000 0.856 273 E CB 1.589 31.376 29.700 0.144 0.000 1.159 273 E HN -0.182 nan 8.360 nan 0.000 0.401 274 R N 1.770 122.446 120.500 0.292 0.000 2.507 274 R HA 0.368 4.708 4.340 0.001 0.000 0.298 274 R C -1.641 174.839 176.300 0.300 0.000 1.087 274 R CA -0.484 55.776 56.100 0.267 0.000 0.917 274 R CB 0.900 31.327 30.300 0.213 0.000 1.173 274 R HN 0.391 nan 8.270 nan 0.000 0.472 275 F N 2.315 122.326 119.950 0.101 0.000 2.588 275 F HA 0.458 4.985 4.527 0.001 0.000 0.314 275 F C -1.596 174.186 175.800 -0.031 0.000 1.134 275 F CA -0.706 57.328 58.000 0.057 0.000 0.961 275 F CB 1.939 41.030 39.000 0.152 0.000 1.239 275 F HN 0.349 nan 8.300 nan 0.000 0.448 276 N N 4.964 123.024 118.700 -1.067 0.000 2.346 276 N HA 0.575 5.315 4.740 0.001 0.000 0.289 276 N C -1.979 172.546 175.510 -1.643 0.000 1.027 276 N CA -0.625 51.740 53.050 -1.141 0.000 0.864 276 N CB 2.322 40.354 38.487 -0.757 0.000 1.370 276 N HN 0.582 nan 8.380 nan 0.000 0.481 277 L N 2.523 122.979 121.223 -1.279 0.000 2.295 277 L HA 0.649 4.989 4.340 0.001 0.000 0.285 277 L C -1.644 174.685 176.870 -0.902 0.000 1.035 277 L CA -0.276 54.069 54.840 -0.825 0.000 0.806 277 L CB 0.199 42.120 42.059 -0.231 0.000 1.214 277 L HN 0.455 nan 8.230 nan 0.000 0.426 278 F N 6.360 126.087 119.950 -0.371 0.000 2.443 278 F HA 0.546 5.073 4.527 0.001 0.000 0.369 278 F C -2.147 173.626 175.800 -0.045 0.000 1.090 278 F CA -1.996 55.887 58.000 -0.195 0.000 1.129 278 F CB 0.775 39.651 39.000 -0.207 0.000 1.367 278 F HN 0.422 nan 8.300 nan 0.000 0.465 279 P HA 0.312 nan 4.420 nan 0.000 0.276 279 P C -0.005 177.365 177.300 0.116 0.000 1.261 279 P CA -0.217 62.938 63.100 0.091 0.000 0.800 279 P CB 0.986 32.717 31.700 0.051 0.000 1.066 280 A N -1.108 121.762 122.820 0.083 0.000 2.783 280 A HA -0.110 4.210 4.320 0.001 0.000 0.292 280 A C -0.022 177.601 177.584 0.065 0.000 1.495 280 A CA 0.801 52.877 52.037 0.066 0.000 0.787 280 A CB -2.438 16.599 19.000 0.061 0.000 1.017 280 A HN 0.251 nan 8.150 nan 0.000 0.516 281 V N -0.293 119.678 119.914 0.095 0.000 2.376 281 V HA 0.655 4.776 4.120 0.001 0.000 0.287 281 V C 0.629 176.740 176.094 0.028 0.000 1.015 281 V CA -0.361 61.994 62.300 0.092 0.000 0.834 281 V CB 1.397 33.367 31.823 0.245 0.000 1.001 281 V HN 1.438 nan 8.190 nan 0.000 0.428 282 A N 4.193 127.000 122.820 -0.020 0.000 2.396 282 A HA 0.416 4.737 4.320 0.001 0.000 0.279 282 A C 0.211 177.772 177.584 -0.038 0.000 1.165 282 A CA -0.133 51.875 52.037 -0.049 0.000 0.824 282 A CB -0.178 18.836 19.000 0.022 0.000 1.100 282 A HN 0.872 nan 8.150 nan 0.000 0.516 283 C N 2.886 122.138 119.300 -0.079 0.000 2.415 283 C HA 0.340 4.800 4.460 0.001 0.000 0.369 283 C C 1.359 176.306 174.990 -0.072 0.000 1.279 283 C CA -0.234 58.727 59.018 -0.095 0.000 1.886 283 C CB -0.399 27.280 27.740 -0.101 0.000 2.468 283 C HN 1.010 nan 8.230 nan 0.000 0.553 284 E N 0.742 120.916 120.200 -0.044 0.000 2.364 284 E HA 0.127 4.478 4.350 0.001 0.000 0.203 284 E C 0.589 177.147 176.600 -0.069 0.000 0.888 284 E CA 0.158 56.531 56.400 -0.046 0.000 0.989 284 E CB 0.672 30.358 29.700 -0.023 0.000 0.985 284 E HN 0.636 nan 8.360 nan 0.000 0.499 285 R N 0.894 121.365 120.500 -0.049 0.000 2.561 285 R HA 0.226 4.566 4.340 0.001 0.000 0.266 285 R C -1.551 174.737 176.300 -0.019 0.000 1.091 285 R CA -0.489 55.571 56.100 -0.067 0.000 0.927 285 R CB 1.648 31.851 30.300 -0.162 0.000 1.240 285 R HN -0.030 nan 8.270 nan 0.000 0.449 286 V N 1.209 121.095 119.914 -0.048 0.000 2.539 286 V HA 0.667 4.788 4.120 0.001 0.000 0.292 286 V C -0.300 175.771 176.094 -0.037 0.000 1.045 286 V CA -0.686 61.563 62.300 -0.085 0.000 0.945 286 V CB 1.683 33.400 31.823 -0.177 0.000 0.993 286 V HN 0.414 nan 8.190 nan 0.000 0.464 287 V N 5.107 124.993 119.914 -0.046 0.000 2.370 287 V HA 0.473 4.594 4.120 0.001 0.000 0.279 287 V C 0.559 176.651 176.094 -0.004 0.000 1.029 287 V CA -0.505 61.795 62.300 0.001 0.000 0.870 287 V CB 0.865 32.726 31.823 0.064 0.000 0.984 287 V HN 0.929 nan 8.190 nan 0.000 0.451 288 R N 3.621 124.137 120.500 0.027 0.000 2.441 288 R HA 0.296 4.637 4.340 0.001 0.000 0.284 288 R C 0.429 176.768 176.300 0.064 0.000 1.070 288 R CA -0.550 55.614 56.100 0.107 0.000 1.047 288 R CB 0.743 31.081 30.300 0.062 0.000 1.016 288 R HN 0.886 nan 8.270 nan 0.000 0.477 289 N N 1.489 120.234 118.700 0.076 0.000 2.285 289 N HA -0.011 4.729 4.740 0.001 0.000 0.262 289 N C 0.508 176.010 175.510 -0.013 0.000 1.299 289 N CA 0.185 53.247 53.050 0.021 0.000 0.930 289 N CB 0.215 38.710 38.487 0.013 0.000 1.157 289 N HN 0.533 nan 8.380 nan 0.000 0.532 290 A N -1.108 121.697 122.820 -0.026 0.000 2.014 290 A HA 0.005 4.325 4.320 0.001 0.000 0.218 290 A C 1.867 179.414 177.584 -0.061 0.000 1.163 290 A CA 0.699 52.713 52.037 -0.037 0.000 0.652 290 A CB -0.608 18.376 19.000 -0.028 0.000 0.808 290 A HN 0.514 nan 8.150 nan 0.000 0.449 291 L N -0.617 120.556 121.223 -0.083 0.000 2.509 291 L HA 0.175 4.516 4.340 0.001 0.000 0.222 291 L C -0.023 176.726 176.870 -0.202 0.000 1.123 291 L CA 0.510 55.281 54.840 -0.115 0.000 0.856 291 L CB -0.731 41.263 42.059 -0.108 0.000 0.985 291 L HN 0.460 nan 8.230 nan 0.000 0.456 292 N N -0.300 118.252 118.700 -0.247 0.000 2.727 292 N HA -0.206 4.535 4.740 0.001 0.000 0.249 292 N C 0.991 175.785 175.510 -1.193 0.000 1.048 292 N CA 0.988 53.725 53.050 -0.522 0.000 0.714 292 N CB -1.505 36.829 38.487 -0.254 0.000 0.959 292 N HN 0.613 nan 8.380 nan 0.000 0.544 293 S N -2.250 112.998 115.700 -0.754 0.000 2.526 293 S HA 0.193 4.664 4.470 0.001 0.000 0.220 293 S C 0.293 174.718 174.600 -0.292 0.000 1.017 293 S CA -0.108 57.750 58.200 -0.569 0.000 0.930 293 S CB 1.373 64.436 63.200 -0.227 0.000 0.856 293 S HN 0.195 nan 8.310 nan 0.000 0.497 294 E N 0.766 120.905 120.200 -0.101 0.000 2.372 294 E HA 0.410 4.760 4.350 0.001 0.000 0.279 294 E C -1.425 175.376 176.600 0.335 0.000 0.946 294 E CA -0.668 55.860 56.400 0.214 0.000 0.769 294 E CB 1.750 31.531 29.700 0.135 0.000 1.230 294 E HN 0.097 nan 8.360 nan 0.000 0.442 295 I N 2.178 122.903 120.570 0.258 0.000 2.396 295 I HA 0.121 4.292 4.170 0.001 0.000 0.292 295 I C 1.207 177.275 176.117 -0.082 0.000 0.999 295 I CA -0.000 61.263 61.300 -0.062 0.000 1.310 295 I CB 0.908 38.630 38.000 -0.464 0.000 1.404 295 I HN 0.506 nan 8.210 nan 0.000 0.496 296 E N 3.094 123.245 120.200 -0.082 0.000 2.434 296 E HA 0.120 4.471 4.350 0.001 0.000 0.207 296 E C 0.009 176.651 176.600 0.069 0.000 0.929 296 E CA 0.319 56.747 56.400 0.047 0.000 1.001 296 E CB 0.797 30.528 29.700 0.052 0.000 1.016 296 E HN 0.718 nan 8.360 nan 0.000 0.502 297 S N -0.192 115.482 115.700 -0.043 0.000 2.615 297 S HA 0.524 4.995 4.470 0.001 0.000 0.268 297 S C -1.445 173.143 174.600 -0.019 0.000 1.146 297 S CA -1.052 57.182 58.200 0.056 0.000 0.818 297 S CB 1.513 64.722 63.200 0.015 0.000 1.111 297 S HN 0.025 nan 8.310 nan 0.000 0.465 298 L N 1.518 122.788 121.223 0.078 0.000 2.325 298 L HA 0.683 5.024 4.340 0.001 0.000 0.281 298 L C -1.320 175.524 176.870 -0.043 0.000 1.004 298 L CA -0.162 54.696 54.840 0.030 0.000 0.823 298 L CB 1.003 43.112 42.059 0.082 0.000 1.236 298 L HN 0.892 nan 8.230 nan 0.000 0.415 299 H N 5.387 124.410 119.070 -0.079 0.000 2.690 299 H HA 0.554 5.111 4.556 0.001 0.000 0.314 299 H C -0.139 175.122 175.328 -0.112 0.000 1.069 299 H CA 0.415 56.417 56.048 -0.077 0.000 1.436 299 H CB 0.720 30.441 29.762 -0.069 0.000 1.462 299 H HN 0.680 nan 8.280 nan 0.000 0.511 300 I N -0.200 120.351 120.570 -0.032 0.000 2.740 300 I HA 0.466 4.636 4.170 0.001 0.000 0.303 300 I C -0.757 175.401 176.117 0.069 0.000 1.044 300 I CA -0.885 60.374 61.300 -0.069 0.000 1.064 300 I CB 2.627 40.454 38.000 -0.288 0.000 1.249 300 I HN 0.574 nan 8.210 nan 0.000 0.433 301 H N 3.694 122.742 119.070 -0.036 0.000 2.800 301 H HA 0.229 4.786 4.556 0.001 0.000 0.322 301 H C -1.459 173.891 175.328 0.037 0.000 0.979 301 H CA -0.693 55.344 56.048 -0.017 0.000 1.277 301 H CB 1.451 31.208 29.762 -0.009 0.000 1.484 301 H HN 0.778 nan 8.280 nan 0.000 0.512 302 D N 5.570 125.980 120.400 0.017 0.000 2.358 302 D HA 0.000 4.640 4.640 0.001 0.000 0.258 302 D C 1.014 177.167 176.300 -0.244 0.000 1.223 302 D CA -0.056 53.937 54.000 -0.011 0.000 0.886 302 D CB 0.972 41.882 40.800 0.184 0.000 1.120 302 D HN 0.679 nan 8.370 nan 0.000 0.482 303 L N 4.305 125.392 121.223 -0.227 0.000 2.492 303 L HA -0.040 4.300 4.340 0.001 0.000 0.223 303 L C 1.889 178.706 176.870 -0.087 0.000 1.132 303 L CA -0.008 54.680 54.840 -0.253 0.000 0.850 303 L CB 0.018 42.016 42.059 -0.102 0.000 0.966 303 L HN 0.501 nan 8.230 nan 0.000 0.454 304 I N -0.478 120.077 120.570 -0.025 0.000 2.296 304 I HA -0.134 4.037 4.170 0.001 0.000 0.242 304 I C 2.698 178.829 176.117 0.024 0.000 1.087 304 I CA 1.598 62.908 61.300 0.016 0.000 1.393 304 I CB -1.070 36.955 38.000 0.041 0.000 1.093 304 I HN 0.278 nan 8.210 nan 0.000 0.421 305 S N 0.352 116.077 115.700 0.042 0.000 2.446 305 S HA 0.120 4.590 4.470 0.001 0.000 0.225 305 S C 1.832 176.463 174.600 0.051 0.000 1.016 305 S CA 0.860 59.096 58.200 0.060 0.000 0.943 305 S CB 0.204 63.466 63.200 0.104 0.000 0.786 305 S HN 0.605 nan 8.310 nan 0.000 0.508 306 G N 0.925 109.749 108.800 0.039 0.000 2.225 306 G HA2 -0.200 3.760 3.960 0.001 0.000 0.254 306 G HA3 -0.200 3.760 3.960 0.001 0.000 0.254 306 G C -0.354 174.646 174.900 0.168 0.000 0.988 306 G CA 0.168 45.348 45.100 0.132 0.000 0.625 306 G HN 0.562 nan 8.290 nan 0.000 0.527 307 D N 0.676 121.096 120.400 0.033 0.000 2.341 307 D HA 0.518 5.158 4.640 0.001 0.000 0.245 307 D C 0.921 177.027 176.300 -0.322 0.000 1.106 307 D CA 0.153 54.037 54.000 -0.193 0.000 0.905 307 D CB 0.590 41.224 40.800 -0.275 0.000 1.202 307 D HN 0.379 nan 8.370 nan 0.000 0.426 308 R N 1.190 121.366 120.500 -0.540 0.000 2.514 308 R HA 0.553 4.893 4.340 0.001 0.000 0.301 308 R C -0.721 175.072 176.300 -0.845 0.000 0.962 308 R CA -0.648 55.175 56.100 -0.462 0.000 0.882 308 R CB 1.126 31.301 30.300 -0.208 0.000 1.143 308 R HN 0.264 nan 8.270 nan 0.000 0.452 309 F N 0.050 119.973 119.950 -0.046 0.000 2.640 309 F HA 0.407 4.934 4.527 0.001 0.000 0.324 309 F C 0.126 175.810 175.800 -0.193 0.000 1.077 309 F CA -0.983 56.956 58.000 -0.103 0.000 0.965 309 F CB 1.690 40.628 39.000 -0.102 0.000 1.351 309 F HN 0.273 nan 8.300 nan 0.000 0.487 310 E N 1.928 122.125 120.200 -0.005 0.000 2.199 310 E HA 0.550 4.900 4.350 0.001 0.000 0.269 310 E C -1.284 175.290 176.600 -0.043 0.000 0.899 310 E CA -0.727 55.576 56.400 -0.163 0.000 0.772 310 E CB 2.559 32.081 29.700 -0.297 0.000 1.155 310 E HN 0.230 nan 8.360 nan 0.000 0.408 311 I N 2.536 123.087 120.570 -0.033 0.000 2.433 311 I HA 0.299 4.469 4.170 0.001 0.000 0.292 311 I C -0.124 176.082 176.117 0.148 0.000 1.001 311 I CA -0.988 60.350 61.300 0.063 0.000 1.119 311 I CB 1.379 39.416 38.000 0.060 0.000 1.289 311 I HN 0.380 nan 8.210 nan 0.000 0.438 312 K N 5.020 125.509 120.400 0.148 0.000 2.159 312 K HA 0.823 5.143 4.320 0.001 0.000 0.266 312 K C -1.004 175.660 176.600 0.106 0.000 0.975 312 K CA -0.260 56.128 56.287 0.168 0.000 0.865 312 K CB 1.625 34.186 32.500 0.101 0.000 1.087 312 K HN 0.803 nan 8.250 nan 0.000 0.446 313 A N 2.824 125.628 122.820 -0.026 0.000 2.569 313 A HA 0.432 4.753 4.320 0.001 0.000 0.290 313 A C -0.477 176.981 177.584 -0.209 0.000 1.136 313 A CA -0.649 51.234 52.037 -0.256 0.000 0.710 313 A CB 1.073 19.667 19.000 -0.677 0.000 1.303 313 A HN 0.755 nan 8.150 nan 0.000 0.413 314 D N -0.620 119.697 120.400 -0.138 0.000 2.183 314 D HA 0.146 4.787 4.640 0.001 0.000 0.205 314 D C 0.308 176.514 176.300 -0.156 0.000 0.962 314 D CA 1.599 55.587 54.000 -0.020 0.000 0.849 314 D CB 0.297 41.141 40.800 0.074 0.000 0.978 314 D HN 0.225 nan 8.370 nan 0.000 0.488 315 V N 0.627 120.318 119.914 -0.371 0.000 2.656 315 V HA 0.315 4.435 4.120 0.001 0.000 0.307 315 V C -1.273 174.579 176.094 -0.404 0.000 1.051 315 V CA -0.871 61.212 62.300 -0.362 0.000 0.893 315 V CB 1.887 33.393 31.823 -0.530 0.000 0.999 315 V HN -0.059 nan 8.190 nan 0.000 0.426 316 Y N 2.486 122.773 120.300 -0.022 0.000 2.331 316 Y HA 0.687 5.237 4.550 0.001 0.000 0.334 316 Y C -0.173 175.694 175.900 -0.056 0.000 0.960 316 Y CA -0.951 57.123 58.100 -0.043 0.000 1.130 316 Y CB 2.049 40.480 38.460 -0.049 0.000 1.164 316 Y HN 0.341 nan 8.280 nan 0.000 0.458 317 V N 5.401 125.285 119.914 -0.050 0.000 2.448 317 V HA 0.438 4.558 4.120 0.001 0.000 0.295 317 V C -0.407 175.555 176.094 -0.220 0.000 1.025 317 V CA -0.920 61.239 62.300 -0.236 0.000 0.859 317 V CB 1.704 33.164 31.823 -0.606 0.000 0.988 317 V HN 0.590 nan 8.190 nan 0.000 0.431 318 L N 5.022 126.107 121.223 -0.230 0.000 2.294 318 L HA 0.582 4.923 4.340 0.001 0.000 0.283 318 L C 0.300 177.060 176.870 -0.183 0.000 1.015 318 L CA -0.234 54.492 54.840 -0.190 0.000 0.831 318 L CB 1.646 43.573 42.059 -0.221 0.000 1.217 318 L HN 0.810 nan 8.230 nan 0.000 0.420 319 T N -1.703 112.780 114.554 -0.119 0.000 3.584 319 T HA 0.346 4.697 4.350 0.001 0.000 0.259 319 T C 0.665 175.367 174.700 0.003 0.000 1.009 319 T CA -0.103 61.968 62.100 -0.049 0.000 1.103 319 T CB 0.984 69.821 68.868 -0.051 0.000 1.099 319 T HN 0.538 nan 8.240 nan 0.000 0.539 320 A N 0.840 123.670 122.820 0.017 0.000 2.337 320 A HA 0.750 5.070 4.320 0.001 0.000 0.227 320 A C 1.398 179.057 177.584 0.125 0.000 1.259 320 A CA 0.100 52.173 52.037 0.060 0.000 0.870 320 A CB -0.869 18.160 19.000 0.047 0.000 0.927 320 A HN 1.719 nan 8.150 nan 0.000 0.497 321 G N -2.610 106.259 108.800 0.114 0.000 2.662 321 G HA2 0.257 4.217 3.960 0.001 0.000 0.686 321 G HA3 0.257 4.217 3.960 0.001 0.000 0.686 321 G C 0.737 175.732 174.900 0.158 0.000 1.271 321 G CA -0.319 44.857 45.100 0.127 0.000 0.816 321 G HN 1.275 nan 8.290 nan 0.000 0.608 322 A N -0.280 122.618 122.820 0.129 0.000 1.933 322 A HA 0.215 4.535 4.320 0.001 0.000 0.218 322 A C 2.648 180.311 177.584 0.130 0.000 1.175 322 A CA 3.213 55.320 52.037 0.116 0.000 0.628 322 A CB -0.372 18.672 19.000 0.073 0.000 0.814 322 A HN 1.600 nan 8.150 nan 0.000 0.444 323 V N -0.824 119.128 119.914 0.063 0.000 2.302 323 V HA -0.211 3.909 4.120 0.001 0.000 0.243 323 V C 2.233 178.350 176.094 0.038 0.000 1.036 323 V CA 2.157 64.463 62.300 0.010 0.000 1.020 323 V CB -1.148 30.562 31.823 -0.188 0.000 0.657 323 V HN 0.734 nan 8.190 nan 0.000 0.453 324 H N -0.067 119.072 119.070 0.116 0.000 2.462 324 H HA -0.055 4.502 4.556 0.001 0.000 0.292 324 H C 2.302 177.623 175.328 -0.011 0.000 1.049 324 H CA 1.040 57.112 56.048 0.041 0.000 1.334 324 H CB 0.052 29.819 29.762 0.008 0.000 1.404 324 H HN 0.331 nan 8.280 nan 0.000 0.544 325 N N -0.048 118.727 118.700 0.125 0.000 2.069 325 N HA -0.125 4.616 4.740 0.001 0.000 0.191 325 N C 1.792 177.279 175.510 -0.038 0.000 1.031 325 N CA 1.830 54.880 53.050 0.001 0.000 0.852 325 N CB -0.499 37.976 38.487 -0.020 0.000 1.018 325 N HN 0.342 nan 8.380 nan 0.000 0.423 326 T N 0.743 115.354 114.554 0.095 0.000 2.777 326 T HA -0.153 4.197 4.350 0.001 0.000 0.266 326 T C 1.843 176.388 174.700 -0.258 0.000 1.040 326 T CA 1.031 63.178 62.100 0.078 0.000 1.141 326 T CB -0.193 68.879 68.868 0.340 0.000 0.868 326 T HN 0.344 nan 8.240 nan 0.000 0.444 327 Q N 0.205 119.766 119.800 -0.398 0.000 2.050 327 Q HA -0.121 4.219 4.340 0.001 0.000 0.202 327 Q C 2.322 178.028 176.000 -0.491 0.000 0.980 327 Q CA 1.161 56.398 55.803 -0.944 0.000 0.840 327 Q CB -0.250 28.297 28.738 -0.319 0.000 0.898 327 Q HN 0.364 nan 8.270 nan 0.000 0.424 328 L N 0.711 121.785 121.223 -0.249 0.000 2.046 328 L HA -0.162 4.179 4.340 0.001 0.000 0.208 328 L C 2.034 178.792 176.870 -0.186 0.000 1.077 328 L CA 1.600 56.329 54.840 -0.184 0.000 0.747 328 L CB -0.652 41.320 42.059 -0.144 0.000 0.896 328 L HN 0.302 nan 8.230 nan 0.000 0.432 329 L N -1.856 119.229 121.223 -0.229 0.000 2.017 329 L HA -0.194 4.146 4.340 0.001 0.000 0.208 329 L C 2.430 179.306 176.870 0.010 0.000 1.073 329 L CA 1.106 55.820 54.840 -0.210 0.000 0.745 329 L CB -0.716 41.098 42.059 -0.408 0.000 0.894 329 L HN 0.071 nan 8.230 nan 0.000 0.432 330 V N 0.015 119.869 119.914 -0.099 0.000 2.392 330 V HA -0.284 3.837 4.120 0.001 0.000 0.249 330 V C 2.059 178.121 176.094 -0.053 0.000 1.059 330 V CA 2.022 64.295 62.300 -0.045 0.000 1.051 330 V CB -0.783 30.976 31.823 -0.107 0.000 0.658 330 V HN 0.492 nan 8.190 nan 0.000 0.455 331 N N -0.008 118.614 118.700 -0.130 0.000 2.550 331 N HA -0.083 4.657 4.740 0.001 0.000 0.186 331 N C 1.400 176.879 175.510 -0.051 0.000 1.110 331 N CA 0.966 53.964 53.050 -0.088 0.000 0.912 331 N CB -0.026 38.390 38.487 -0.118 0.000 0.968 331 N HN 0.429 nan 8.380 nan 0.000 0.448 332 S N -1.572 114.132 115.700 0.006 0.000 2.554 332 S HA 0.351 4.821 4.470 0.001 0.000 0.226 332 S C 1.094 175.711 174.600 0.029 0.000 0.980 332 S CA 0.131 58.356 58.200 0.042 0.000 0.939 332 S CB 0.665 63.937 63.200 0.120 0.000 0.832 332 S HN 0.489 nan 8.310 nan 0.000 0.486 333 G N 1.179 109.990 108.800 0.018 0.000 2.175 333 G HA2 -0.239 3.722 3.960 0.001 0.000 0.244 333 G HA3 -0.239 3.722 3.960 0.001 0.000 0.244 333 G C -0.045 174.788 174.900 -0.111 0.000 0.982 333 G CA -0.561 44.501 45.100 -0.063 0.000 0.641 333 G HN 0.419 nan 8.290 nan 0.000 0.527 334 F N 1.149 121.082 119.950 -0.028 0.000 2.410 334 F HA 0.487 5.014 4.527 0.001 0.000 0.334 334 F C 1.745 177.562 175.800 0.029 0.000 1.134 334 F CA 1.342 59.341 58.000 -0.003 0.000 1.227 334 F CB 0.647 39.621 39.000 -0.044 0.000 1.194 334 F HN 0.779 nan 8.300 nan 0.000 0.571 335 G N 1.880 110.818 108.800 0.230 0.000 2.594 335 G HA2 -0.307 3.653 3.960 0.001 0.000 0.297 335 G HA3 -0.307 3.653 3.960 0.001 0.000 0.297 335 G C -0.635 174.339 174.900 0.123 0.000 1.273 335 G CA 0.283 45.489 45.100 0.176 0.000 0.974 335 G HN 0.876 nan 8.290 nan 0.000 0.552 336 Q N -0.979 118.901 119.800 0.133 0.000 2.274 336 Q HA 0.598 4.938 4.340 0.001 0.000 0.268 336 Q C -0.949 175.134 176.000 0.138 0.000 1.015 336 Q CA -0.996 54.865 55.803 0.096 0.000 0.775 336 Q CB 1.622 30.393 28.738 0.055 0.000 1.256 336 Q HN 0.878 nan 8.270 nan 0.000 0.442 337 L N 3.845 125.141 121.223 0.122 0.000 2.397 337 L HA 0.728 5.068 4.340 0.001 0.000 0.271 337 L C 0.372 177.320 176.870 0.130 0.000 1.148 337 L CA 2.053 56.991 54.840 0.163 0.000 0.825 337 L CB 0.896 43.024 42.059 0.115 0.000 1.117 337 L HN 0.876 nan 8.230 nan 0.000 0.456 338 G N 3.634 112.561 108.800 0.212 0.000 2.710 338 G HA2 -0.204 3.757 3.960 0.001 0.000 0.668 338 G HA3 -0.204 3.757 3.960 0.001 0.000 0.668 338 G C -0.552 174.222 174.900 -0.210 0.000 1.320 338 G CA -0.266 44.906 45.100 0.121 0.000 0.860 338 G HN 0.927 nan 8.290 nan 0.000 0.538 339 R N 0.816 120.981 120.500 -0.558 0.000 2.502 339 R HA 0.336 4.676 4.340 0.001 0.000 0.292 339 R C -1.838 173.996 176.300 -0.777 0.000 0.998 339 R CA -0.546 54.788 56.100 -1.277 0.000 1.056 339 R CB -0.048 29.839 30.300 -0.688 0.000 0.939 339 R HN 0.349 nan 8.270 nan 0.000 0.411 340 P HA -0.037 nan 4.420 nan 0.000 0.265 340 P C -1.379 175.757 177.300 -0.274 0.000 1.187 340 P CA 0.261 63.107 63.100 -0.425 0.000 0.766 340 P CB 0.463 31.943 31.700 -0.367 0.000 0.820 341 N N 2.764 121.363 118.700 -0.168 0.000 2.558 341 N HA 0.186 4.927 4.740 0.001 0.000 0.285 341 N C -2.517 172.947 175.510 -0.076 0.000 1.112 341 N CA -2.217 50.762 53.050 -0.117 0.000 0.857 341 N CB 1.241 39.666 38.487 -0.104 0.000 1.376 341 N HN 0.053 nan 8.380 nan 0.000 0.526 342 P HA -0.102 nan 4.420 nan 0.000 0.218 342 P C 0.965 178.247 177.300 -0.031 0.000 1.149 342 P CA 1.112 64.186 63.100 -0.043 0.000 0.817 342 P CB 0.131 31.806 31.700 -0.041 0.000 0.785 343 A N -0.819 121.981 122.820 -0.034 0.000 2.264 343 A HA -0.064 4.256 4.320 0.001 0.000 0.207 343 A C 1.019 178.589 177.584 -0.023 0.000 1.196 343 A CA 0.457 52.478 52.037 -0.026 0.000 0.778 343 A CB -1.167 17.818 19.000 -0.026 0.000 0.779 343 A HN 0.277 nan 8.150 nan 0.000 0.483 344 N N -0.028 118.657 118.700 -0.026 0.000 2.824 344 N HA 0.172 4.912 4.740 0.001 0.000 0.224 344 N C -3.451 172.050 175.510 -0.015 0.000 1.418 344 N CA -0.820 52.218 53.050 -0.019 0.000 0.743 344 N CB 1.221 39.694 38.487 -0.023 0.000 1.395 344 N HN -0.067 nan 8.380 nan 0.000 0.548 345 P HA 0.248 nan 4.420 nan 0.000 0.275 345 P C -2.529 174.781 177.300 0.016 0.000 1.227 345 P CA -0.812 62.292 63.100 0.006 0.000 0.781 345 P CB 0.089 31.797 31.700 0.013 0.000 0.906 346 P HA -0.014 nan 4.420 nan 0.000 0.265 346 P C 0.748 178.072 177.300 0.040 0.000 1.193 346 P CA 0.386 63.510 63.100 0.040 0.000 0.765 346 P CB 0.675 32.417 31.700 0.069 0.000 0.823 347 E N 1.467 121.683 120.200 0.026 0.000 2.072 347 E HA -0.099 4.251 4.350 0.001 0.000 0.190 347 E C 0.616 177.242 176.600 0.042 0.000 0.982 347 E CA 0.871 57.285 56.400 0.024 0.000 0.803 347 E CB -0.106 29.597 29.700 0.005 0.000 0.755 347 E HN 0.269 nan 8.360 nan 0.000 0.453 348 L N 1.597 122.846 121.223 0.044 0.000 2.257 348 L HA 0.174 4.515 4.340 0.001 0.000 0.290 348 L C -0.006 176.960 176.870 0.160 0.000 1.044 348 L CA -0.072 54.812 54.840 0.075 0.000 0.810 348 L CB 0.357 42.398 42.059 -0.030 0.000 1.193 348 L HN 0.118 nan 8.230 nan 0.000 0.425 349 L N 7.295 128.645 121.223 0.213 0.000 3.746 349 L HA -0.181 4.160 4.340 0.001 0.000 0.542 349 L C -1.351 175.635 176.870 0.194 0.000 1.268 349 L CA -0.284 54.704 54.840 0.246 0.000 0.818 349 L CB -0.745 41.517 42.059 0.339 0.000 1.472 349 L HN 0.593 nan 8.230 nan 0.000 0.843 350 P HA -0.133 nan 4.420 nan 0.000 0.219 350 P C 1.261 178.662 177.300 0.168 0.000 1.146 350 P CA 1.229 64.409 63.100 0.133 0.000 0.808 350 P CB 0.250 32.010 31.700 0.100 0.000 0.779 351 S N -0.764 115.059 115.700 0.205 0.000 2.593 351 S HA 0.057 4.527 4.470 0.001 0.000 0.217 351 S C 0.803 175.569 174.600 0.277 0.000 0.966 351 S CA -0.384 57.986 58.200 0.283 0.000 0.914 351 S CB -0.704 62.666 63.200 0.283 0.000 0.776 351 S HN 0.063 nan 8.310 nan 0.000 0.523 352 L N 2.417 123.781 121.223 0.236 0.000 2.513 352 L HA 0.439 4.780 4.340 0.001 0.000 0.272 352 L C 1.135 178.151 176.870 0.243 0.000 1.187 352 L CA 1.086 56.067 54.840 0.236 0.000 0.895 352 L CB -0.403 41.786 42.059 0.217 0.000 1.147 352 L HN 0.331 nan 8.230 nan 0.000 0.483 353 G N 2.455 111.407 108.800 0.253 0.000 2.162 353 G HA2 -0.257 3.703 3.960 0.001 0.000 0.260 353 G HA3 -0.257 3.703 3.960 0.001 0.000 0.260 353 G C 0.400 175.426 174.900 0.210 0.000 0.976 353 G CA 0.311 45.558 45.100 0.246 0.000 0.655 353 G HN 0.841 nan 8.290 nan 0.000 0.533 354 S N -1.531 114.300 115.700 0.217 0.000 2.664 354 S HA 0.662 5.132 4.470 0.001 0.000 0.304 354 S C 0.304 175.069 174.600 0.275 0.000 1.099 354 S CA 0.064 58.340 58.200 0.127 0.000 1.003 354 S CB 1.016 64.218 63.200 0.002 0.000 1.092 354 S HN 0.933 nan 8.310 nan 0.000 0.525 355 Y N -0.875 119.501 120.300 0.126 0.000 4.272 355 Y HA -0.201 4.349 4.550 0.001 0.000 0.232 355 Y C 0.507 176.498 175.900 0.151 0.000 1.149 355 Y CA 0.196 58.370 58.100 0.122 0.000 1.961 355 Y CB -2.196 36.331 38.460 0.111 0.000 1.611 355 Y HN 0.645 nan 8.280 nan 0.000 0.682 356 I N 0.071 120.806 120.570 0.275 0.000 2.754 356 I HA 0.441 4.612 4.170 0.001 0.000 0.285 356 I C 0.663 176.962 176.117 0.304 0.000 1.166 356 I CA 0.533 61.994 61.300 0.268 0.000 1.417 356 I CB 1.203 39.357 38.000 0.258 0.000 1.382 356 I HN 0.211 nan 8.210 nan 0.000 0.588 357 T N 1.932 116.628 114.554 0.236 0.000 2.876 357 T HA 0.678 5.028 4.350 0.001 0.000 0.289 357 T C -0.673 174.079 174.700 0.086 0.000 1.014 357 T CA -0.704 61.527 62.100 0.218 0.000 0.986 357 T CB 2.061 71.010 68.868 0.135 0.000 1.021 357 T HN 0.837 nan 8.240 nan 0.000 0.458 358 E N 1.257 121.492 120.200 0.058 0.000 2.340 358 E HA 0.367 4.717 4.350 0.001 0.000 0.273 358 E C -1.106 175.634 176.600 0.233 0.000 0.891 358 E CA -0.597 55.800 56.400 -0.005 0.000 0.757 358 E CB 2.007 31.508 29.700 -0.331 0.000 1.231 358 E HN 0.700 nan 8.360 nan 0.000 0.439 359 Q N 1.178 121.105 119.800 0.213 0.000 2.293 359 Q HA 0.428 4.768 4.340 0.001 0.000 0.251 359 Q C -0.463 175.697 176.000 0.267 0.000 0.930 359 Q CA -0.462 55.496 55.803 0.258 0.000 0.893 359 Q CB 1.310 30.228 28.738 0.300 0.000 1.215 359 Q HN 0.475 nan 8.270 nan 0.000 0.425 360 S N 1.781 117.535 115.700 0.090 0.000 2.549 360 S HA 0.231 4.702 4.470 0.001 0.000 0.283 360 S C -0.580 174.041 174.600 0.034 0.000 1.320 360 S CA -0.386 57.745 58.200 -0.116 0.000 1.058 360 S CB 0.288 63.324 63.200 -0.273 0.000 0.882 360 S HN 0.366 nan 8.310 nan 0.000 0.498 361 L N 5.071 126.300 121.223 0.009 0.000 2.381 361 L HA 0.706 5.046 4.340 0.001 0.000 0.274 361 L C -0.714 176.029 176.870 -0.210 0.000 0.988 361 L CA -0.703 54.051 54.840 -0.144 0.000 0.824 361 L CB 1.603 43.557 42.059 -0.175 0.000 1.263 361 L HN 0.468 nan 8.230 nan 0.000 0.410 362 V N 2.270 121.976 119.914 -0.347 0.000 2.667 362 V HA 0.741 4.862 4.120 0.001 0.000 0.308 362 V C -0.896 175.069 176.094 -0.215 0.000 1.048 362 V CA -0.635 61.389 62.300 -0.461 0.000 0.928 362 V CB 1.551 32.908 31.823 -0.776 0.000 1.004 362 V HN 0.814 nan 8.190 nan 0.000 0.444 363 F N 4.908 124.653 119.950 -0.342 0.000 2.591 363 F HA 0.870 5.397 4.527 0.001 0.000 0.309 363 F C -0.374 175.300 175.800 -0.210 0.000 1.098 363 F CA -0.239 57.639 58.000 -0.205 0.000 0.937 363 F CB 1.547 40.457 39.000 -0.151 0.000 1.250 363 F HN 1.188 nan 8.300 nan 0.000 0.447 364 C N 2.767 121.464 119.300 -1.005 0.000 3.332 364 C HA 0.787 5.248 4.460 0.001 0.000 0.329 364 C C -1.608 172.874 174.990 -0.847 0.000 1.434 364 C CA -0.696 57.660 59.018 -1.103 0.000 1.314 364 C CB 1.672 29.033 27.740 -0.631 0.000 1.664 364 C HN 0.977 nan 8.230 nan 0.000 0.457 365 Q N 0.558 120.091 119.800 -0.444 0.000 2.351 365 Q HA 0.775 5.116 4.340 0.001 0.000 0.273 365 Q C -0.407 175.674 176.000 0.135 0.000 1.077 365 Q CA -0.245 55.563 55.803 0.008 0.000 0.843 365 Q CB 2.653 31.434 28.738 0.072 0.000 1.367 365 Q HN 0.940 nan 8.270 nan 0.000 0.449 366 T N -2.690 112.021 114.554 0.261 0.000 2.930 366 T HA 0.698 5.049 4.350 0.001 0.000 0.290 366 T C -0.586 174.201 174.700 0.145 0.000 1.052 366 T CA -0.732 61.471 62.100 0.172 0.000 1.017 366 T CB 1.225 70.208 68.868 0.192 0.000 1.137 366 T HN 0.259 nan 8.240 nan 0.000 0.511 367 V N 2.409 122.367 119.914 0.074 0.000 2.357 367 V HA 0.397 4.517 4.120 0.001 0.000 0.284 367 V C 0.274 176.391 176.094 0.038 0.000 1.018 367 V CA -0.897 61.435 62.300 0.052 0.000 0.841 367 V CB 1.116 32.955 31.823 0.027 0.000 0.991 367 V HN 1.021 nan 8.190 nan 0.000 0.437 368 M N 4.877 124.509 119.600 0.052 0.000 2.248 368 M HA 0.066 4.546 4.480 0.001 0.000 0.343 368 M C 0.903 177.216 176.300 0.022 0.000 1.243 368 M CA 0.763 56.093 55.300 0.049 0.000 1.025 368 M CB 0.561 33.190 32.600 0.048 0.000 1.759 368 M HN 0.933 nan 8.290 nan 0.000 0.452 369 S N 2.488 118.198 115.700 0.016 0.000 2.579 369 S HA 0.090 4.561 4.470 0.001 0.000 0.275 369 S C 1.003 175.607 174.600 0.006 0.000 1.345 369 S CA -0.153 58.045 58.200 -0.003 0.000 1.031 369 S CB 0.642 63.834 63.200 -0.013 0.000 0.892 369 S HN 0.795 nan 8.310 nan 0.000 0.529 370 T N 1.070 115.623 114.554 -0.001 0.000 2.759 370 T HA -0.141 4.210 4.350 0.001 0.000 0.269 370 T C 1.636 176.343 174.700 0.011 0.000 1.042 370 T CA 1.723 63.826 62.100 0.005 0.000 1.140 370 T CB -0.477 68.390 68.868 -0.001 0.000 0.864 370 T HN 0.857 nan 8.240 nan 0.000 0.455 371 E N 0.606 120.809 120.200 0.006 0.000 2.072 371 E HA -0.080 4.271 4.350 0.001 0.000 0.191 371 E C 2.149 178.764 176.600 0.026 0.000 0.985 371 E CA 0.747 57.153 56.400 0.010 0.000 0.801 371 E CB -0.165 29.534 29.700 -0.003 0.000 0.750 371 E HN 0.443 nan 8.360 nan 0.000 0.452 372 L N 0.773 122.014 121.223 0.030 0.000 2.093 372 L HA -0.174 4.166 4.340 0.001 0.000 0.208 372 L C 2.488 179.399 176.870 0.069 0.000 1.085 372 L CA 0.460 55.333 54.840 0.055 0.000 0.755 372 L CB -0.258 41.835 42.059 0.057 0.000 0.904 372 L HN 0.285 nan 8.230 nan 0.000 0.435 373 I N -0.148 120.450 120.570 0.047 0.000 2.252 373 I HA -0.253 3.918 4.170 0.001 0.000 0.245 373 I C 2.081 178.228 176.117 0.049 0.000 1.102 373 I CA 1.405 62.729 61.300 0.040 0.000 1.385 373 I CB -1.053 36.960 38.000 0.022 0.000 1.064 373 I HN 0.266 nan 8.210 nan 0.000 0.414 374 D N 0.784 121.211 120.400 0.046 0.000 2.178 374 D HA -0.140 4.501 4.640 0.001 0.000 0.201 374 D C 2.367 178.710 176.300 0.072 0.000 0.980 374 D CA 1.624 55.654 54.000 0.050 0.000 0.842 374 D CB -0.096 40.726 40.800 0.036 0.000 0.948 374 D HN 0.364 nan 8.370 nan 0.000 0.472 375 S N -0.014 115.738 115.700 0.088 0.000 2.402 375 S HA -0.115 4.355 4.470 0.001 0.000 0.229 375 S C 2.191 176.927 174.600 0.228 0.000 1.021 375 S CA 0.765 59.044 58.200 0.132 0.000 0.974 375 S CB -0.558 62.710 63.200 0.113 0.000 0.800 375 S HN 0.085 nan 8.310 nan 0.000 0.484 376 V N 3.215 123.250 119.914 0.203 0.000 2.324 376 V HA -0.208 3.913 4.120 0.001 0.000 0.250 376 V C 2.257 178.427 176.094 0.127 0.000 1.060 376 V CA 2.289 64.728 62.300 0.231 0.000 1.042 376 V CB -0.867 31.007 31.823 0.085 0.000 0.650 376 V HN 0.840 nan 8.190 nan 0.000 0.450 377 K N 0.315 120.769 120.400 0.090 0.000 2.498 377 K HA 0.187 4.507 4.320 0.001 0.000 0.207 377 K C 1.636 178.279 176.600 0.072 0.000 1.033 377 K CA 0.685 57.007 56.287 0.058 0.000 1.138 377 K CB 0.231 32.760 32.500 0.048 0.000 0.860 377 K HN 0.427 nan 8.250 nan 0.000 0.490 378 S N 0.985 116.754 115.700 0.115 0.000 2.400 378 S HA -0.179 4.292 4.470 0.001 0.000 0.232 378 S C 1.067 175.710 174.600 0.071 0.000 1.025 378 S CA 1.357 59.613 58.200 0.094 0.000 0.993 378 S CB -0.263 62.996 63.200 0.098 0.000 0.808 378 S HN 0.312 nan 8.310 nan 0.000 0.478 379 D N 0.879 121.333 120.400 0.091 0.000 2.355 379 D HA 0.191 4.832 4.640 0.001 0.000 0.218 379 D C 0.226 176.580 176.300 0.090 0.000 1.004 379 D CA 0.368 54.413 54.000 0.076 0.000 0.880 379 D CB -0.055 40.789 40.800 0.074 0.000 0.911 379 D HN 0.392 nan 8.370 nan 0.000 0.528 380 M N 0.481 120.125 119.600 0.073 0.000 2.249 380 M HA 0.199 4.679 4.480 0.001 0.000 0.351 380 M C 0.305 176.632 176.300 0.044 0.000 1.180 380 M CA -0.038 55.308 55.300 0.076 0.000 1.127 380 M CB 1.023 33.656 32.600 0.054 0.000 1.546 380 M HN -0.333 nan 8.290 nan 0.000 0.461 381 T N 4.570 119.142 114.554 0.030 0.000 2.771 381 T HA 0.652 5.002 4.350 0.001 0.000 0.291 381 T C 0.160 174.833 174.700 -0.044 0.000 0.954 381 T CA -0.288 61.809 62.100 -0.005 0.000 1.045 381 T CB 0.407 69.268 68.868 -0.011 0.000 0.917 381 T HN 0.432 nan 8.240 nan 0.000 0.484 382 I N 3.924 124.464 120.570 -0.049 0.000 2.418 382 I HA 0.495 4.665 4.170 0.001 0.000 0.287 382 I C 0.131 176.200 176.117 -0.081 0.000 1.008 382 I CA -0.810 60.429 61.300 -0.101 0.000 1.104 382 I CB 1.692 39.673 38.000 -0.031 0.000 1.264 382 I HN 0.330 nan 8.210 nan 0.000 0.438 383 R N 3.808 124.222 120.500 -0.143 0.000 2.628 383 R HA 0.760 5.100 4.340 0.001 0.000 0.288 383 R C -0.076 176.221 176.300 -0.005 0.000 0.980 383 R CA -0.596 55.470 56.100 -0.057 0.000 0.891 383 R CB 2.315 32.579 30.300 -0.060 0.000 1.188 383 R HN 0.897 nan 8.270 nan 0.000 0.450 384 G N 0.822 109.673 108.800 0.085 0.000 2.725 384 G HA2 -0.244 3.716 3.960 0.001 0.000 0.220 384 G HA3 -0.244 3.716 3.960 0.001 0.000 0.220 384 G C -0.609 174.470 174.900 0.297 0.000 1.357 384 G CA -0.299 44.906 45.100 0.175 0.000 0.866 384 G HN 0.732 nan 8.290 nan 0.000 0.548 385 T N -0.736 113.957 114.554 0.232 0.000 2.829 385 T HA 0.732 5.083 4.350 0.001 0.000 0.280 385 T C -2.648 171.922 174.700 -0.216 0.000 0.999 385 T CA -1.363 60.783 62.100 0.076 0.000 0.983 385 T CB 2.373 71.249 68.868 0.014 0.000 0.968 385 T HN 0.521 nan 8.240 nan 0.000 0.446 386 P HA 0.271 nan 4.420 nan 0.000 0.265 386 P C 1.194 178.228 177.300 -0.444 0.000 1.187 386 P CA 1.332 63.823 63.100 -1.014 0.000 0.766 386 P CB 0.215 31.518 31.700 -0.661 0.000 0.820 387 G N 1.244 109.831 108.800 -0.355 0.000 2.217 387 G HA2 -0.214 3.746 3.960 0.001 0.000 0.246 387 G HA3 -0.214 3.746 3.960 0.001 0.000 0.246 387 G C 0.024 174.880 174.900 -0.073 0.000 0.990 387 G CA -0.211 44.799 45.100 -0.150 0.000 0.627 387 G HN 0.561 nan 8.290 nan 0.000 0.522 388 E N -0.170 119.999 120.200 -0.053 0.000 2.250 388 E HA 0.608 4.958 4.350 0.001 0.000 0.269 388 E C 1.489 178.124 176.600 0.058 0.000 1.018 388 E CA -0.694 55.713 56.400 0.011 0.000 0.873 388 E CB 1.131 30.845 29.700 0.023 0.000 1.134 388 E HN 0.110 nan 8.360 nan 0.000 0.403 389 L N 0.663 121.912 121.223 0.044 0.000 2.081 389 L HA -0.235 4.106 4.340 0.001 0.000 0.212 389 L C 2.327 179.235 176.870 0.062 0.000 1.080 389 L CA 1.873 56.740 54.840 0.045 0.000 0.754 389 L CB -0.830 41.246 42.059 0.028 0.000 0.893 389 L HN 0.677 nan 8.230 nan 0.000 0.433 390 T N -4.800 109.799 114.554 0.075 0.000 3.081 390 T HA -0.063 4.288 4.350 0.001 0.000 0.250 390 T C 0.495 175.253 174.700 0.096 0.000 1.100 390 T CA -0.301 61.839 62.100 0.067 0.000 1.038 390 T CB -0.365 68.535 68.868 0.052 0.000 0.962 390 T HN 0.132 nan 8.240 nan 0.000 0.516 391 Y N 3.287 123.586 120.300 -0.002 0.000 2.511 391 Y HA 0.426 4.976 4.550 0.001 0.000 0.332 391 Y C 0.234 176.134 175.900 -0.000 0.000 1.177 391 Y CA -0.420 57.679 58.100 -0.000 0.000 1.422 391 Y CB 0.492 38.951 38.460 -0.002 0.000 1.271 391 Y HN 0.275 nan 8.280 nan 0.000 0.550 392 S N 5.083 120.436 115.700 -0.579 0.000 2.536 392 S HA 0.770 5.240 4.470 0.001 0.000 0.271 392 S C -2.199 172.064 174.600 -0.561 0.000 1.134 392 S CA -0.749 57.181 58.200 -0.449 0.000 0.897 392 S CB 1.220 64.306 63.200 -0.189 0.000 1.094 392 S HN 0.547 nan 8.310 nan 0.000 0.473 393 V N 3.541 123.242 119.914 -0.355 0.000 2.525 393 V HA 0.773 4.894 4.120 0.001 0.000 0.299 393 V C -0.082 175.976 176.094 -0.060 0.000 1.034 393 V CA -0.240 61.937 62.300 -0.206 0.000 0.863 393 V CB 1.320 33.062 31.823 -0.135 0.000 0.999 393 V HN 1.156 nan 8.190 nan 0.000 0.423 394 T N 1.586 116.131 114.554 -0.016 0.000 2.883 394 T HA 0.887 5.238 4.350 0.001 0.000 0.296 394 T C -1.034 173.737 174.700 0.120 0.000 1.117 394 T CA -0.786 61.328 62.100 0.025 0.000 1.006 394 T CB 2.416 71.256 68.868 -0.047 0.000 1.191 394 T HN 0.912 nan 8.240 nan 0.000 0.508 395 Y N -1.713 118.576 120.300 -0.017 0.000 2.644 395 Y HA 0.773 5.323 4.550 0.001 0.000 0.338 395 Y C -0.978 174.918 175.900 -0.007 0.000 1.119 395 Y CA -1.271 56.824 58.100 -0.008 0.000 1.060 395 Y CB 0.928 39.391 38.460 0.004 0.000 1.294 395 Y HN 0.647 nan 8.280 nan 0.000 0.472 396 T N 4.289 118.805 114.554 -0.062 0.000 2.781 396 T HA 0.384 4.734 4.350 0.001 0.000 0.305 396 T C -2.778 171.877 174.700 -0.076 0.000 1.001 396 T CA -1.298 60.711 62.100 -0.153 0.000 0.950 396 T CB 0.613 69.456 68.868 -0.041 0.000 0.955 396 T HN 0.368 nan 8.240 nan 0.000 0.471 397 P HA 0.139 nan 4.420 nan 0.000 0.261 397 P C 1.141 178.480 177.300 0.066 0.000 1.173 397 P CA 0.921 64.037 63.100 0.028 0.000 0.760 397 P CB 0.257 31.929 31.700 -0.047 0.000 0.783 398 G N 1.818 110.688 108.800 0.116 0.000 2.168 398 G HA2 -0.232 3.729 3.960 0.001 0.000 0.263 398 G HA3 -0.232 3.729 3.960 0.001 0.000 0.263 398 G C 0.498 175.425 174.900 0.045 0.000 0.977 398 G CA 0.105 45.247 45.100 0.069 0.000 0.659 398 G HN 0.866 nan 8.290 nan 0.000 0.533 399 A N 0.203 123.054 122.820 0.051 0.000 2.407 399 A HA 0.704 5.025 4.320 0.001 0.000 0.248 399 A C 1.623 179.215 177.584 0.012 0.000 1.082 399 A CA 1.161 53.214 52.037 0.027 0.000 0.785 399 A CB 0.517 19.536 19.000 0.031 0.000 1.020 399 A HN 1.626 nan 8.150 nan 0.000 0.489 400 S N 0.436 116.135 115.700 -0.002 0.000 2.503 400 S HA -0.060 4.410 4.470 0.001 0.000 0.217 400 S C 1.194 175.776 174.600 -0.031 0.000 0.999 400 S CA 1.074 59.264 58.200 -0.017 0.000 0.914 400 S CB -0.395 62.797 63.200 -0.014 0.000 0.782 400 S HN 0.698 nan 8.310 nan 0.000 0.520 401 T N 2.603 117.143 114.554 -0.024 0.000 3.072 401 T HA 0.125 4.475 4.350 0.001 0.000 0.266 401 T C 0.333 175.002 174.700 -0.052 0.000 1.127 401 T CA 0.207 62.286 62.100 -0.034 0.000 1.107 401 T CB -0.444 68.410 68.868 -0.022 0.000 0.910 401 T HN 0.364 nan 8.240 nan 0.000 0.513 402 N N 2.096 120.768 118.700 -0.047 0.000 2.497 402 N HA 0.136 4.876 4.740 0.001 0.000 0.268 402 N C 1.041 176.451 175.510 -0.167 0.000 1.171 402 N CA -0.141 52.867 53.050 -0.070 0.000 0.948 402 N CB 0.910 39.380 38.487 -0.028 0.000 1.069 402 N HN 0.062 nan 8.380 nan 0.000 0.460 403 K N 1.179 121.413 120.400 -0.276 0.000 2.217 403 K HA -0.016 4.304 4.320 0.001 0.000 0.202 403 K C 0.091 176.213 176.600 -0.798 0.000 1.051 403 K CA 1.026 56.983 56.287 -0.549 0.000 0.952 403 K CB 0.070 32.118 32.500 -0.754 0.000 0.736 403 K HN 0.612 nan 8.250 nan 0.000 0.453 404 H N 0.107 118.895 119.070 -0.471 0.000 2.621 404 H HA 0.292 4.849 4.556 0.001 0.000 0.360 404 H C -2.263 172.799 175.328 -0.444 0.000 1.163 404 H CA -2.212 53.423 56.048 -0.687 0.000 1.194 404 H CB 1.618 30.609 29.762 -1.286 0.000 1.649 404 H HN -0.076 nan 8.280 nan 0.000 0.532 405 P HA 0.026 nan 4.420 nan 0.000 0.275 405 P C 0.121 177.287 177.300 -0.222 0.000 1.266 405 P CA -0.298 62.688 63.100 -0.190 0.000 0.793 405 P CB 1.357 32.986 31.700 -0.119 0.000 1.074 406 D N -0.604 119.781 120.400 -0.026 0.000 2.178 406 D HA -0.103 4.537 4.640 0.001 0.000 0.202 406 D C 1.921 178.252 176.300 0.052 0.000 0.974 406 D CA 1.117 55.147 54.000 0.049 0.000 0.841 406 D CB -0.545 40.370 40.800 0.192 0.000 0.953 406 D HN 0.590 nan 8.370 nan 0.000 0.478 407 W N 0.286 121.653 121.300 0.112 0.000 2.342 407 W HA -0.169 4.491 4.660 0.001 0.000 0.297 407 W C 1.915 178.499 176.519 0.109 0.000 1.213 407 W CA 0.285 57.691 57.345 0.100 0.000 1.251 407 W CB -1.308 28.209 29.460 0.096 0.000 1.136 407 W HN 0.060 nan 8.180 nan 0.000 0.526 408 W N 3.252 124.016 121.300 -0.893 0.000 2.408 408 W HA -0.144 4.517 4.660 0.001 0.000 0.311 408 W C 1.954 178.141 176.519 -0.554 0.000 1.190 408 W CA 1.657 58.430 57.345 -0.953 0.000 1.321 408 W CB -1.002 27.685 29.460 -1.288 0.000 1.143 408 W HN -0.111 nan 8.180 nan 0.000 0.501 409 N N 0.776 119.345 118.700 -0.218 0.000 2.166 409 N HA -0.171 4.570 4.740 0.001 0.000 0.186 409 N C 1.508 176.716 175.510 -0.503 0.000 1.019 409 N CA 1.504 54.231 53.050 -0.537 0.000 0.856 409 N CB -0.577 37.195 38.487 -1.191 0.000 0.993 409 N HN 0.232 nan 8.380 nan 0.000 0.426 410 E N 1.142 121.198 120.200 -0.239 0.000 2.077 410 E HA -0.107 4.243 4.350 0.001 0.000 0.193 410 E C 1.776 178.399 176.600 0.038 0.000 0.989 410 E CA 0.749 57.180 56.400 0.052 0.000 0.800 410 E CB 0.012 29.806 29.700 0.157 0.000 0.746 410 E HN 0.283 nan 8.360 nan 0.000 0.452 411 K N 0.539 120.940 120.400 0.002 0.000 2.026 411 K HA -0.085 4.235 4.320 0.001 0.000 0.208 411 K C 2.287 178.857 176.600 -0.050 0.000 1.048 411 K CA 0.726 57.007 56.287 -0.010 0.000 0.929 411 K CB -0.502 31.977 32.500 -0.035 0.000 0.713 411 K HN 0.036 nan 8.250 nan 0.000 0.439 412 V N 1.787 121.621 119.914 -0.134 0.000 2.323 412 V HA -0.203 3.918 4.120 0.001 0.000 0.244 412 V C 2.581 178.683 176.094 0.013 0.000 1.041 412 V CA 1.612 63.847 62.300 -0.108 0.000 1.025 412 V CB -0.399 31.326 31.823 -0.163 0.000 0.656 412 V HN 0.366 nan 8.190 nan 0.000 0.451 413 K N 0.326 120.736 120.400 0.017 0.000 2.009 413 K HA -0.240 4.081 4.320 0.001 0.000 0.210 413 K C 2.052 178.703 176.600 0.085 0.000 1.049 413 K CA 2.001 58.338 56.287 0.083 0.000 0.929 413 K CB -0.233 32.376 32.500 0.181 0.000 0.714 413 K HN 0.416 nan 8.250 nan 0.000 0.440 414 N N 0.308 119.061 118.700 0.088 0.000 2.120 414 N HA -0.189 4.552 4.740 0.001 0.000 0.188 414 N C 1.804 177.361 175.510 0.079 0.000 1.024 414 N CA 1.435 54.531 53.050 0.077 0.000 0.852 414 N CB -0.622 37.916 38.487 0.085 0.000 1.003 414 N HN 0.429 nan 8.380 nan 0.000 0.424 415 H N 0.699 119.784 119.070 0.025 0.000 2.321 415 H HA 0.074 4.630 4.556 0.001 0.000 0.300 415 H C 2.097 177.455 175.328 0.050 0.000 1.087 415 H CA 1.783 57.857 56.048 0.044 0.000 1.319 415 H CB -0.056 29.648 29.762 -0.096 0.000 1.379 415 H HN 0.108 nan 8.280 nan 0.000 0.501 416 M N -0.858 118.780 119.600 0.063 0.000 2.229 416 M HA -0.142 4.338 4.480 0.001 0.000 0.264 416 M C 1.729 178.079 176.300 0.084 0.000 1.063 416 M CA 1.146 56.486 55.300 0.067 0.000 1.114 416 M CB 0.065 32.753 32.600 0.146 0.000 1.387 416 M HN 0.354 nan 8.290 nan 0.000 0.420 417 M N -0.515 119.119 119.600 0.057 0.000 2.394 417 M HA -0.048 4.432 4.480 0.001 0.000 0.266 417 M C 1.800 178.080 176.300 -0.033 0.000 1.098 417 M CA 1.446 56.789 55.300 0.072 0.000 1.149 417 M CB -0.728 31.900 32.600 0.046 0.000 1.369 417 M HN 0.325 nan 8.290 nan 0.000 0.450 418 Q N -0.861 118.850 119.800 -0.148 0.000 2.398 418 Q HA -0.018 4.322 4.340 0.001 0.000 0.204 418 Q C 0.026 175.651 176.000 -0.626 0.000 0.932 418 Q CA 0.661 56.255 55.803 -0.348 0.000 0.916 418 Q CB 0.459 28.960 28.738 -0.395 0.000 1.024 418 Q HN 0.538 nan 8.270 nan 0.000 0.504 419 H N 0.340 119.313 119.070 -0.162 0.000 2.386 419 H HA 0.201 4.757 4.556 0.001 0.000 0.232 419 H C 0.146 175.376 175.328 -0.163 0.000 1.416 419 H CA -0.085 55.858 56.048 -0.175 0.000 1.285 419 H CB 0.498 30.056 29.762 -0.340 0.000 1.625 419 H HN 0.245 nan 8.280 nan 0.000 0.521 420 Q N 0.578 120.344 119.800 -0.057 0.000 2.436 420 Q HA -0.104 4.236 4.340 0.001 0.000 0.209 420 Q C 1.860 177.809 176.000 -0.084 0.000 0.965 420 Q CA 0.740 56.479 55.803 -0.107 0.000 0.910 420 Q CB 0.421 29.046 28.738 -0.188 0.000 0.980 420 Q HN 0.508 nan 8.270 nan 0.000 0.491 421 E N 1.055 121.251 120.200 -0.005 0.000 2.358 421 E HA -0.118 4.232 4.350 0.001 0.000 0.195 421 E C -0.344 176.288 176.600 0.053 0.000 1.010 421 E CA 0.615 57.027 56.400 0.020 0.000 0.856 421 E CB 0.054 29.785 29.700 0.053 0.000 0.795 421 E HN 0.153 nan 8.360 nan 0.000 0.504 422 D N 1.928 122.374 120.400 0.077 0.000 2.274 422 D HA 0.148 4.788 4.640 0.001 0.000 0.239 422 D C -1.682 174.664 176.300 0.077 0.000 1.104 422 D CA -2.244 51.829 54.000 0.122 0.000 0.840 422 D CB 1.689 42.597 40.800 0.182 0.000 1.100 422 D HN -0.157 nan 8.370 nan 0.000 0.477 423 P HA 0.108 nan 4.420 nan 0.000 0.255 423 P C -0.289 177.046 177.300 0.058 0.000 1.248 423 P CA 0.132 63.263 63.100 0.051 0.000 0.807 423 P CB 0.386 32.107 31.700 0.036 0.000 1.150 424 L N 1.588 122.855 121.223 0.073 0.000 2.330 424 L HA 0.399 4.740 4.340 0.001 0.000 0.271 424 L C -1.448 175.436 176.870 0.025 0.000 1.013 424 L CA -2.332 52.522 54.840 0.024 0.000 0.816 424 L CB 2.376 44.421 42.059 -0.023 0.000 1.287 424 L HN -0.322 nan 8.230 nan 0.000 0.435 425 P HA 0.107 nan 4.420 nan 0.000 0.255 425 P C 0.201 177.320 177.300 -0.300 0.000 1.248 425 P CA 0.467 63.535 63.100 -0.053 0.000 0.807 425 P CB 0.413 32.093 31.700 -0.032 0.000 1.150 426 I N 2.366 122.680 120.570 -0.425 0.000 2.371 426 I HA 0.212 4.383 4.170 0.001 0.000 0.290 426 I C -2.110 173.483 176.117 -0.873 0.000 1.028 426 I CA -2.745 58.250 61.300 -0.508 0.000 1.345 426 I CB 0.621 38.437 38.000 -0.307 0.000 1.407 426 I HN -0.240 nan 8.210 nan 0.000 0.501 427 P HA -0.020 nan 4.420 nan 0.000 0.267 427 P C 0.293 177.360 177.300 -0.390 0.000 1.200 427 P CA 0.085 62.814 63.100 -0.619 0.000 0.772 427 P CB 0.340 31.893 31.700 -0.244 0.000 0.855 428 F N 0.816 120.668 119.950 -0.163 0.000 2.161 428 F HA -0.130 4.397 4.527 0.001 0.000 0.300 428 F C 1.767 177.532 175.800 -0.058 0.000 1.089 428 F CA 1.597 59.541 58.000 -0.094 0.000 1.282 428 F CB -0.839 38.123 39.000 -0.063 0.000 1.010 428 F HN 0.394 nan 8.300 nan 0.000 0.485 429 E N 0.055 120.342 120.200 0.145 0.000 2.368 429 E HA -0.009 4.342 4.350 0.001 0.000 0.188 429 E C -0.308 176.315 176.600 0.038 0.000 1.061 429 E CA -0.211 56.240 56.400 0.085 0.000 0.933 429 E CB -0.362 29.386 29.700 0.081 0.000 1.091 429 E HN 0.232 nan 8.360 nan 0.000 0.458 430 D N 2.257 122.661 120.400 0.007 0.000 2.425 430 D HA 0.039 4.680 4.640 0.001 0.000 0.247 430 D C -2.315 174.009 176.300 0.041 0.000 1.147 430 D CA -1.545 52.448 54.000 -0.012 0.000 0.879 430 D CB 0.867 41.625 40.800 -0.071 0.000 1.179 430 D HN -0.118 nan 8.370 nan 0.000 0.456 431 P HA 0.108 nan 4.420 nan 0.000 0.272 431 P C -0.555 176.878 177.300 0.222 0.000 1.240 431 P CA -0.424 62.764 63.100 0.146 0.000 0.791 431 P CB 0.396 32.154 31.700 0.097 0.000 0.978 432 E N 1.833 122.211 120.200 0.297 0.000 2.349 432 E HA 0.246 4.596 4.350 0.001 0.000 0.262 432 E C -2.480 174.219 176.600 0.165 0.000 1.088 432 E CA -2.187 54.320 56.400 0.178 0.000 0.899 432 E CB -0.613 29.152 29.700 0.109 0.000 1.044 432 E HN 0.237 nan 8.360 nan 0.000 0.420 433 P HA 0.052 nan 4.420 nan 0.000 0.271 433 P C -0.507 176.844 177.300 0.085 0.000 1.218 433 P CA 0.012 63.219 63.100 0.177 0.000 0.780 433 P CB 0.461 32.202 31.700 0.067 0.000 0.901 434 Q N 1.326 121.278 119.800 0.254 0.000 3.484 434 Q HA 0.318 4.658 4.340 0.001 0.000 0.255 434 Q C -0.914 175.185 176.000 0.164 0.000 0.909 434 Q CA -0.362 55.452 55.803 0.019 0.000 0.774 434 Q CB 1.268 29.771 28.738 -0.392 0.000 1.431 434 Q HN 0.203 nan 8.270 nan 0.000 0.423 435 V N 0.485 120.436 119.914 0.063 0.000 2.667 435 V HA 0.779 4.900 4.120 0.001 0.000 0.308 435 V C 0.105 176.196 176.094 -0.005 0.000 1.048 435 V CA -0.521 61.804 62.300 0.042 0.000 0.928 435 V CB 2.126 33.914 31.823 -0.060 0.000 1.004 435 V HN 0.458 nan 8.190 nan 0.000 0.444 436 T N 1.450 116.027 114.554 0.038 0.000 2.982 436 T HA 0.452 4.803 4.350 0.001 0.000 0.321 436 T C -1.042 173.575 174.700 -0.138 0.000 1.229 436 T CA -0.291 61.771 62.100 -0.063 0.000 1.044 436 T CB 1.824 70.658 68.868 -0.056 0.000 1.184 436 T HN 0.858 nan 8.240 nan 0.000 0.477 437 T N 5.018 119.353 114.554 -0.365 0.000 2.772 437 T HA 0.611 4.961 4.350 0.001 0.000 0.288 437 T C 0.045 174.541 174.700 -0.340 0.000 0.994 437 T CA -0.618 61.120 62.100 -0.602 0.000 0.951 437 T CB -0.078 68.030 68.868 -1.266 0.000 0.933 437 T HN 0.537 nan 8.240 nan 0.000 0.447 438 L N 4.339 125.448 121.223 -0.190 0.000 2.473 438 L HA 0.370 4.710 4.340 0.001 0.000 0.268 438 L C 0.797 177.645 176.870 -0.037 0.000 1.215 438 L CA -0.894 53.935 54.840 -0.019 0.000 0.823 438 L CB 0.174 42.233 42.059 -0.001 0.000 1.099 438 L HN 0.633 nan 8.230 nan 0.000 0.483 439 F N 2.744 122.627 119.950 -0.112 0.000 2.604 439 F HA -0.072 4.455 4.527 0.001 0.000 0.390 439 F C 0.227 175.908 175.800 -0.199 0.000 1.053 439 F CA 0.532 58.424 58.000 -0.181 0.000 1.256 439 F CB 0.094 39.016 39.000 -0.129 0.000 0.996 439 F HN 0.382 nan 8.300 nan 0.000 0.564 440 Q N 6.632 126.229 119.800 -0.338 0.000 2.501 440 Q HA 0.273 4.613 4.340 0.001 0.000 0.288 440 Q C -2.004 173.737 176.000 -0.432 0.000 1.051 440 Q CA -1.784 53.903 55.803 -0.193 0.000 0.788 440 Q CB 1.404 30.046 28.738 -0.160 0.000 1.469 440 Q HN 0.243 nan 8.270 nan 0.000 0.416 441 P HA -0.200 nan 4.420 nan 0.000 0.216 441 P C 1.214 178.291 177.300 -0.373 0.000 1.150 441 P CA 2.098 65.065 63.100 -0.221 0.000 0.843 441 P CB 0.255 31.900 31.700 -0.092 0.000 0.787 442 S N -2.902 112.557 115.700 -0.401 0.000 2.489 442 S HA -0.079 4.391 4.470 0.001 0.000 0.228 442 S C 0.736 174.617 174.600 -1.198 0.000 0.995 442 S CA 0.636 58.489 58.200 -0.578 0.000 0.934 442 S CB -0.742 62.225 63.200 -0.388 0.000 0.771 442 S HN 0.224 nan 8.310 nan 0.000 0.522 443 H N 1.641 120.258 119.070 -0.755 0.000 2.490 443 H HA 0.312 4.869 4.556 0.001 0.000 0.230 443 H C -3.033 171.147 175.328 -1.913 0.000 1.417 443 H CA -1.472 53.713 56.048 -1.439 0.000 1.449 443 H CB 1.046 30.224 29.762 -0.974 0.000 1.649 443 H HN 0.329 nan 8.280 nan 0.000 0.519 444 P HA 0.063 nan 4.420 nan 0.000 0.220 444 P C -0.779 175.985 177.300 -0.894 0.000 1.806 444 P CA -0.101 61.939 63.100 -1.766 0.000 0.976 444 P CB -0.926 30.246 31.700 -0.880 0.000 1.952 445 W N 0.172 121.209 121.300 -0.438 0.000 3.167 445 W HA 0.542 5.203 4.660 0.001 0.000 0.324 445 W C -0.971 175.636 176.519 0.146 0.000 1.230 445 W CA -1.334 56.044 57.345 0.054 0.000 1.184 445 W CB 0.075 29.582 29.460 0.078 0.000 1.414 445 W HN 0.008 nan 8.180 nan 0.000 0.551 446 H N 1.139 120.452 119.070 0.404 0.000 2.505 446 H HA 0.673 5.229 4.556 0.001 0.000 0.351 446 H C -0.154 175.297 175.328 0.205 0.000 1.151 446 H CA 0.431 56.614 56.048 0.225 0.000 1.339 446 H CB 1.456 31.312 29.762 0.156 0.000 1.483 446 H HN 0.582 nan 8.280 nan 0.000 0.558 447 T N 2.111 116.262 114.554 -0.673 0.000 2.876 447 T HA 0.504 4.854 4.350 0.001 0.000 0.289 447 T C -0.753 173.605 174.700 -0.570 0.000 1.014 447 T CA -1.106 60.602 62.100 -0.653 0.000 0.986 447 T CB 1.581 69.945 68.868 -0.840 0.000 1.021 447 T HN 0.658 nan 8.240 nan 0.000 0.458 448 Q N 1.974 121.669 119.800 -0.176 0.000 2.304 448 Q HA 0.550 4.890 4.340 0.001 0.000 0.270 448 Q C -1.191 174.703 176.000 -0.177 0.000 1.035 448 Q CA -0.640 54.989 55.803 -0.290 0.000 0.781 448 Q CB 2.591 31.059 28.738 -0.449 0.000 1.261 448 Q HN 0.722 nan 8.270 nan 0.000 0.444 449 I N 3.843 124.279 120.570 -0.224 0.000 2.537 449 I HA 0.357 4.527 4.170 0.001 0.000 0.276 449 I C -0.371 175.669 176.117 -0.129 0.000 1.063 449 I CA -0.254 60.833 61.300 -0.355 0.000 1.144 449 I CB 0.386 38.030 38.000 -0.595 0.000 1.252 449 I HN 0.762 nan 8.210 nan 0.000 0.480 450 H N 3.592 122.511 119.070 -0.251 0.000 3.150 450 H HA 0.638 5.195 4.556 0.001 0.000 0.270 450 H C -1.110 174.173 175.328 -0.074 0.000 1.573 450 H CA -1.348 54.618 56.048 -0.136 0.000 1.195 450 H CB 1.352 31.051 29.762 -0.105 0.000 1.874 450 H HN 0.083 nan 8.280 nan 0.000 0.691 451 R N 1.135 121.474 120.500 -0.269 0.000 2.483 451 R HA 0.289 4.629 4.340 0.001 0.000 0.303 451 R C -1.533 174.515 176.300 -0.420 0.000 0.987 451 R CA -0.801 55.114 56.100 -0.309 0.000 0.881 451 R CB 1.594 31.847 30.300 -0.077 0.000 1.177 451 R HN 0.631 nan 8.270 nan 0.000 0.451 452 D N 1.114 121.233 120.400 -0.468 0.000 2.329 452 D HA 0.303 4.944 4.640 0.001 0.000 0.246 452 D C 0.032 176.258 176.300 -0.124 0.000 1.111 452 D CA -0.125 53.723 54.000 -0.253 0.000 0.941 452 D CB 1.160 41.852 40.800 -0.179 0.000 1.169 452 D HN 0.520 nan 8.370 nan 0.000 0.441 453 A N 2.398 125.177 122.820 -0.068 0.000 2.545 453 A HA 0.135 4.455 4.320 0.001 0.000 0.253 453 A C 0.295 177.845 177.584 -0.057 0.000 1.074 453 A CA 0.208 52.243 52.037 -0.003 0.000 0.760 453 A CB -0.175 18.879 19.000 0.090 0.000 1.005 453 A HN 0.438 nan 8.150 nan 0.000 0.506 454 N N 1.112 119.765 118.700 -0.078 0.000 2.269 454 N HA 0.394 5.134 4.740 0.001 0.000 0.304 454 N C -0.819 174.519 175.510 -0.287 0.000 1.072 454 N CA -0.256 52.631 53.050 -0.271 0.000 0.802 454 N CB 2.076 40.246 38.487 -0.528 0.000 1.348 454 N HN 0.586 nan 8.380 nan 0.000 0.484 455 S N 2.333 117.864 115.700 -0.282 0.000 2.409 455 S HA 0.373 4.843 4.470 0.001 0.000 0.308 455 S C -0.525 173.944 174.600 -0.219 0.000 1.080 455 S CA -0.607 57.497 58.200 -0.159 0.000 1.081 455 S CB -0.375 62.764 63.200 -0.100 0.000 1.009 455 S HN 0.357 nan 8.310 nan 0.000 0.502 456 Y N 2.013 122.331 120.300 0.029 0.000 2.304 456 Y HA 0.528 5.078 4.550 0.001 0.000 0.328 456 Y C 1.462 177.378 175.900 0.027 0.000 1.123 456 Y CA -0.148 57.973 58.100 0.036 0.000 1.218 456 Y CB 0.610 39.094 38.460 0.040 0.000 1.207 456 Y HN 0.860 nan 8.280 nan 0.000 0.495 457 G N 0.832 109.737 108.800 0.176 0.000 2.630 457 G HA2 0.232 4.192 3.960 0.001 0.000 0.236 457 G HA3 0.232 4.192 3.960 0.001 0.000 0.236 457 G C 0.903 175.876 174.900 0.122 0.000 1.248 457 G CA -0.005 45.164 45.100 0.115 0.000 0.844 457 G HN 0.935 nan 8.290 nan 0.000 0.588 458 A N 0.564 123.430 122.820 0.078 0.000 2.024 458 A HA -0.031 4.289 4.320 0.001 0.000 0.220 458 A C 2.396 180.008 177.584 0.047 0.000 1.164 458 A CA 1.972 54.044 52.037 0.058 0.000 0.643 458 A CB -0.299 18.725 19.000 0.040 0.000 0.806 458 A HN 0.638 nan 8.150 nan 0.000 0.451 459 V N -0.400 119.545 119.914 0.052 0.000 2.788 459 V HA -0.204 3.916 4.120 0.001 0.000 0.251 459 V C 2.320 178.440 176.094 0.043 0.000 1.068 459 V CA 1.676 64.000 62.300 0.040 0.000 1.090 459 V CB -0.840 31.006 31.823 0.038 0.000 0.710 459 V HN 0.633 nan 8.190 nan 0.000 0.467 460 Q N -0.049 119.799 119.800 0.080 0.000 2.311 460 Q HA -0.125 4.215 4.340 0.001 0.000 0.203 460 Q C 2.074 178.031 176.000 -0.071 0.000 0.954 460 Q CA 0.828 56.680 55.803 0.081 0.000 0.885 460 Q CB -0.138 28.770 28.738 0.283 0.000 0.963 460 Q HN 0.676 nan 8.270 nan 0.000 0.471 461 Q N 0.105 119.885 119.800 -0.034 0.000 2.500 461 Q HA -0.057 4.283 4.340 0.001 0.000 0.213 461 Q C 1.958 177.913 176.000 -0.074 0.000 0.974 461 Q CA 0.602 56.348 55.803 -0.095 0.000 0.918 461 Q CB 0.040 28.778 28.738 -0.001 0.000 0.980 461 Q HN 0.153 nan 8.270 nan 0.000 0.505 462 S N -0.017 115.657 115.700 -0.043 0.000 2.402 462 S HA -0.051 4.419 4.470 0.001 0.000 0.229 462 S C 0.841 175.416 174.600 -0.043 0.000 1.021 462 S CA 0.418 58.601 58.200 -0.029 0.000 0.974 462 S CB 0.226 63.422 63.200 -0.007 0.000 0.800 462 S HN 0.157 nan 8.310 nan 0.000 0.484 463 I N 2.725 123.252 120.570 -0.072 0.000 2.396 463 I HA 0.277 4.447 4.170 0.001 0.000 0.292 463 I C 0.289 176.348 176.117 -0.097 0.000 0.999 463 I CA -0.947 60.314 61.300 -0.066 0.000 1.310 463 I CB 0.910 38.880 38.000 -0.050 0.000 1.404 463 I HN 0.189 nan 8.210 nan 0.000 0.496 464 D N 3.950 124.320 120.400 -0.050 0.000 2.493 464 D HA -0.064 4.576 4.640 0.001 0.000 0.240 464 D C 1.253 177.519 176.300 -0.057 0.000 1.142 464 D CA 0.217 54.196 54.000 -0.036 0.000 0.872 464 D CB 1.167 41.972 40.800 0.008 0.000 1.173 464 D HN 0.660 nan 8.370 nan 0.000 0.467 465 S N 4.356 120.014 115.700 -0.070 0.000 2.419 465 S HA -0.195 4.276 4.470 0.001 0.000 0.233 465 S C 1.679 176.279 174.600 -0.000 0.000 1.016 465 S CA 0.653 58.815 58.200 -0.062 0.000 0.974 465 S CB -0.053 63.124 63.200 -0.038 0.000 0.786 465 S HN 0.556 nan 8.310 nan 0.000 0.492 466 R N 0.806 121.312 120.500 0.009 0.000 2.152 466 R HA 0.142 4.483 4.340 0.001 0.000 0.232 466 R C 1.894 178.199 176.300 0.009 0.000 1.117 466 R CA 1.332 57.436 56.100 0.007 0.000 0.981 466 R CB -0.564 29.726 30.300 -0.017 0.000 0.870 466 R HN 0.463 nan 8.270 nan 0.000 0.451 467 L N 0.409 121.638 121.223 0.010 0.000 2.492 467 L HA 0.127 4.468 4.340 0.001 0.000 0.223 467 L C 0.695 177.596 176.870 0.051 0.000 1.132 467 L CA 0.192 55.046 54.840 0.024 0.000 0.850 467 L CB 0.049 42.117 42.059 0.015 0.000 0.966 467 L HN 0.061 nan 8.230 nan 0.000 0.454 468 I N 0.333 120.937 120.570 0.056 0.000 2.353 468 I HA 0.263 4.433 4.170 0.001 0.000 0.293 468 I C -0.619 175.565 176.117 0.111 0.000 0.992 468 I CA -0.443 60.916 61.300 0.099 0.000 1.268 468 I CB 1.854 39.920 38.000 0.111 0.000 1.387 468 I HN -0.290 nan 8.210 nan 0.000 0.478 469 V N 4.927 124.929 119.914 0.147 0.000 2.588 469 V HA 0.327 4.447 4.120 0.001 0.000 0.304 469 V C -0.788 175.368 176.094 0.102 0.000 1.042 469 V CA -0.818 61.529 62.300 0.079 0.000 0.877 469 V CB 2.102 33.957 31.823 0.054 0.000 0.996 469 V HN 0.581 nan 8.190 nan 0.000 0.425 470 D N 2.720 123.114 120.400 -0.009 0.000 2.210 470 D HA 0.491 5.131 4.640 0.001 0.000 0.249 470 D C -1.011 175.277 176.300 -0.020 0.000 1.062 470 D CA 0.120 54.172 54.000 0.087 0.000 0.891 470 D CB 1.376 42.217 40.800 0.069 0.000 1.186 470 D HN 0.450 nan 8.370 nan 0.000 0.432 471 W N 1.510 122.856 121.300 0.075 0.000 2.619 471 W HA 0.451 5.111 4.660 0.001 0.000 0.327 471 W C 0.166 176.767 176.519 0.137 0.000 1.027 471 W CA -0.851 56.564 57.345 0.117 0.000 1.233 471 W CB 1.305 30.706 29.460 -0.098 0.000 1.370 471 W HN -0.071 nan 8.180 nan 0.000 0.453 472 R N 2.911 123.675 120.500 0.442 0.000 2.502 472 R HA 0.538 4.878 4.340 0.001 0.000 0.300 472 R C -1.551 174.940 176.300 0.319 0.000 0.984 472 R CA -0.885 55.339 56.100 0.206 0.000 0.882 472 R CB 1.689 32.059 30.300 0.117 0.000 1.180 472 R HN 0.173 nan 8.270 nan 0.000 0.444 473 F N 3.098 122.891 119.950 -0.262 0.000 2.482 473 F HA 0.503 5.030 4.527 0.001 0.000 0.331 473 F C -0.404 175.272 175.800 -0.207 0.000 1.115 473 F CA -1.512 56.427 58.000 -0.101 0.000 0.955 473 F CB 1.125 40.057 39.000 -0.113 0.000 1.136 473 F HN 0.305 nan 8.300 nan 0.000 0.452 474 F N 1.333 121.461 119.950 0.297 0.000 2.477 474 F HA 0.656 5.184 4.527 0.001 0.000 0.335 474 F C 0.631 176.624 175.800 0.322 0.000 1.130 474 F CA -1.130 57.039 58.000 0.282 0.000 0.948 474 F CB 1.487 40.701 39.000 0.356 0.000 1.154 474 F HN 0.531 nan 8.300 nan 0.000 0.439 475 G N 2.042 111.070 108.800 0.381 0.000 2.477 475 G HA2 0.611 4.571 3.960 0.001 0.000 0.304 475 G HA3 0.611 4.571 3.960 0.001 0.000 0.304 475 G C -0.850 174.224 174.900 0.290 0.000 1.175 475 G CA -1.057 44.251 45.100 0.347 0.000 0.907 475 G HN 0.719 nan 8.290 nan 0.000 0.509 476 R N -0.699 119.973 120.500 0.287 0.000 2.368 476 R HA 0.614 4.954 4.340 0.001 0.000 0.302 476 R C -1.010 175.383 176.300 0.155 0.000 1.002 476 R CA -0.516 55.686 56.100 0.169 0.000 0.929 476 R CB 1.239 31.675 30.300 0.226 0.000 1.073 476 R HN 0.250 nan 8.270 nan 0.000 0.464 477 T N 2.893 117.512 114.554 0.107 0.000 2.770 477 T HA 0.158 4.508 4.350 0.001 0.000 0.283 477 T C -0.639 174.146 174.700 0.141 0.000 0.988 477 T CA -0.703 61.509 62.100 0.187 0.000 0.957 477 T CB 1.157 70.214 68.868 0.315 0.000 0.930 477 T HN 0.586 nan 8.240 nan 0.000 0.443 478 E N 4.487 124.773 120.200 0.144 0.000 2.452 478 E HA 0.099 4.449 4.350 0.001 0.000 0.261 478 E C -2.132 174.556 176.600 0.147 0.000 0.987 478 E CA -1.322 55.155 56.400 0.129 0.000 0.926 478 E CB 0.286 30.052 29.700 0.110 0.000 0.934 478 E HN 0.313 nan 8.360 nan 0.000 0.452 479 P HA 0.112 nan 4.420 nan 0.000 0.282 479 P C -0.976 176.492 177.300 0.280 0.000 1.262 479 P CA -0.063 63.183 63.100 0.244 0.000 0.773 479 P CB 0.737 32.589 31.700 0.254 0.000 0.879 480 K N 2.550 123.078 120.400 0.212 0.000 2.427 480 K HA 0.176 4.497 4.320 0.001 0.000 0.252 480 K C 0.872 177.345 176.600 -0.213 0.000 0.931 480 K CA -0.677 55.649 56.287 0.066 0.000 0.793 480 K CB 2.442 34.932 32.500 -0.016 0.000 1.211 480 K HN 0.461 nan 8.250 nan 0.000 0.426 481 E N 2.196 122.091 120.200 -0.508 0.000 2.160 481 E HA -0.212 4.138 4.350 0.001 0.000 0.195 481 E C 0.992 177.339 176.600 -0.421 0.000 0.991 481 E CA 1.486 57.317 56.400 -0.949 0.000 0.810 481 E CB 0.487 29.821 29.700 -0.610 0.000 0.742 481 E HN 0.554 nan 8.360 nan 0.000 0.466 482 E N 0.363 120.426 120.200 -0.228 0.000 2.268 482 E HA -0.126 4.224 4.350 0.001 0.000 0.195 482 E C 0.074 176.620 176.600 -0.091 0.000 0.995 482 E CA 0.391 56.710 56.400 -0.134 0.000 0.836 482 E CB -0.323 29.313 29.700 -0.107 0.000 0.763 482 E HN 0.079 nan 8.360 nan 0.000 0.491 483 N N 2.036 120.678 118.700 -0.097 0.000 2.401 483 N HA 0.172 4.913 4.740 0.001 0.000 0.255 483 N C -0.709 174.870 175.510 0.116 0.000 1.110 483 N CA 0.171 53.222 53.050 0.002 0.000 0.949 483 N CB 1.083 39.551 38.487 -0.031 0.000 1.110 483 N HN 0.121 nan 8.380 nan 0.000 0.490 484 K N 1.137 121.655 120.400 0.196 0.000 2.435 484 K HA 0.487 4.808 4.320 0.001 0.000 0.251 484 K C -1.107 175.645 176.600 0.253 0.000 0.954 484 K CA -0.939 55.479 56.287 0.218 0.000 0.820 484 K CB 2.398 35.026 32.500 0.215 0.000 1.292 484 K HN 0.174 nan 8.250 nan 0.000 0.436 485 L N 3.690 125.007 121.223 0.156 0.000 2.325 485 L HA 0.569 4.910 4.340 0.001 0.000 0.281 485 L C -1.318 175.483 176.870 -0.116 0.000 1.004 485 L CA -0.098 54.667 54.840 -0.125 0.000 0.823 485 L CB 0.611 42.591 42.059 -0.132 0.000 1.236 485 L HN 0.717 nan 8.230 nan 0.000 0.415 486 W N 3.688 124.688 121.300 -0.500 0.000 3.017 486 W HA 0.681 5.341 4.660 0.001 0.000 0.341 486 W C -2.202 173.832 176.519 -0.808 0.000 1.180 486 W CA -1.199 55.901 57.345 -0.407 0.000 1.097 486 W CB 1.008 30.390 29.460 -0.130 0.000 1.468 486 W HN 0.354 nan 8.180 nan 0.000 0.584 487 F N 1.393 121.537 119.950 0.323 0.000 2.547 487 F HA 0.323 4.850 4.527 0.001 0.000 0.316 487 F C 0.677 176.641 175.800 0.273 0.000 1.121 487 F CA -0.919 57.147 58.000 0.110 0.000 0.911 487 F CB 2.138 41.186 39.000 0.081 0.000 1.179 487 F HN 0.269 nan 8.300 nan 0.000 0.443 488 S N 1.166 117.018 115.700 0.252 0.000 2.562 488 S HA 0.048 4.518 4.470 0.001 0.000 0.281 488 S C 0.814 175.557 174.600 0.239 0.000 1.333 488 S CA -0.434 57.936 58.200 0.283 0.000 1.052 488 S CB 0.373 63.648 63.200 0.125 0.000 0.884 488 S HN 0.703 nan 8.310 nan 0.000 0.506 489 D N 2.753 123.280 120.400 0.211 0.000 2.340 489 D HA 0.026 4.667 4.640 0.001 0.000 0.220 489 D C 0.950 177.308 176.300 0.097 0.000 1.039 489 D CA 0.393 54.474 54.000 0.133 0.000 0.866 489 D CB -0.001 40.861 40.800 0.104 0.000 0.913 489 D HN 0.727 nan 8.370 nan 0.000 0.523 490 K N -0.838 119.622 120.400 0.101 0.000 2.556 490 K HA 0.205 4.525 4.320 0.001 0.000 0.201 490 K C 0.470 177.109 176.600 0.064 0.000 1.423 490 K CA -0.356 55.974 56.287 0.072 0.000 1.010 490 K CB 0.431 32.971 32.500 0.067 0.000 1.409 490 K HN -0.112 nan 8.250 nan 0.000 0.538 491 I N 3.803 124.415 120.570 0.070 0.000 2.519 491 I HA 0.175 4.346 4.170 0.001 0.000 0.287 491 I C 0.173 176.323 176.117 0.054 0.000 1.047 491 I CA -0.015 61.316 61.300 0.051 0.000 1.381 491 I CB 0.965 38.985 38.000 0.033 0.000 1.417 491 I HN 0.368 nan 8.210 nan 0.000 0.540 492 T N 1.172 115.754 114.554 0.046 0.000 2.908 492 T HA 0.541 4.892 4.350 0.001 0.000 0.290 492 T C -0.366 174.365 174.700 0.053 0.000 1.034 492 T CA -0.953 61.181 62.100 0.055 0.000 1.010 492 T CB 2.388 71.283 68.868 0.045 0.000 1.068 492 T HN 0.555 nan 8.240 nan 0.000 0.481 493 D N 1.200 121.647 120.400 0.079 0.000 2.440 493 D HA 0.419 5.059 4.640 0.001 0.000 0.269 493 D C 1.674 178.009 176.300 0.058 0.000 1.249 493 D CA -0.376 53.677 54.000 0.088 0.000 1.055 493 D CB -0.008 40.884 40.800 0.153 0.000 1.104 493 D HN 0.655 nan 8.370 nan 0.000 0.561 494 A N -1.242 121.601 122.820 0.038 0.000 2.125 494 A HA -0.147 4.174 4.320 0.001 0.000 0.219 494 A C 1.283 178.691 177.584 -0.293 0.000 1.156 494 A CA 0.991 52.953 52.037 -0.125 0.000 0.671 494 A CB -0.987 17.902 19.000 -0.184 0.000 0.794 494 A HN 0.567 nan 8.150 nan 0.000 0.459 495 Y N -1.313 119.002 120.300 0.026 0.000 2.607 495 Y HA 0.206 4.756 4.550 0.001 0.000 0.266 495 Y C 0.917 176.835 175.900 0.029 0.000 1.178 495 Y CA -0.069 58.047 58.100 0.028 0.000 1.226 495 Y CB -0.116 38.344 38.460 0.000 0.000 1.144 495 Y HN 0.511 nan 8.280 nan 0.000 0.528 496 N N 0.053 118.813 118.700 0.099 0.000 2.747 496 N HA -0.191 4.550 4.740 0.001 0.000 0.249 496 N C -0.882 174.666 175.510 0.063 0.000 1.107 496 N CA 0.567 53.653 53.050 0.060 0.000 0.707 496 N CB -0.782 37.723 38.487 0.030 0.000 1.054 496 N HN 0.102 nan 8.380 nan 0.000 0.555 497 M N -0.078 119.578 119.600 0.093 0.000 2.537 497 M HA 0.453 4.933 4.480 0.001 0.000 0.324 497 M C -2.045 174.311 176.300 0.094 0.000 1.187 497 M CA -2.001 53.341 55.300 0.071 0.000 0.993 497 M CB 0.745 33.385 32.600 0.066 0.000 1.666 497 M HN -0.157 nan 8.290 nan 0.000 0.461 498 P HA -0.030 nan 4.420 nan 0.000 0.262 498 P C -0.580 176.869 177.300 0.247 0.000 1.182 498 P CA 0.152 63.342 63.100 0.151 0.000 0.761 498 P CB 0.208 32.000 31.700 0.153 0.000 0.795 499 Q N 6.993 126.886 119.800 0.155 0.000 2.297 499 Q HA 0.168 4.508 4.340 0.001 0.000 0.267 499 Q C -2.267 173.705 176.000 -0.048 0.000 1.006 499 Q CA -1.837 54.007 55.803 0.069 0.000 0.896 499 Q CB -0.170 28.563 28.738 -0.010 0.000 1.186 499 Q HN 0.289 nan 8.270 nan 0.000 0.392 500 P HA 0.126 nan 4.420 nan 0.000 0.271 500 P C -1.061 175.776 177.300 -0.771 0.000 1.216 500 P CA -0.155 62.565 63.100 -0.632 0.000 0.776 500 P CB 1.083 32.498 31.700 -0.475 0.000 0.881 501 T N 2.734 116.596 114.554 -1.153 0.000 2.916 501 T HA 0.513 4.863 4.350 0.001 0.000 0.298 501 T C -0.695 173.348 174.700 -1.095 0.000 1.031 501 T CA -0.102 61.321 62.100 -1.129 0.000 0.993 501 T CB 0.528 68.365 68.868 -1.719 0.000 1.045 501 T HN 0.049 nan 8.240 nan 0.000 0.454 502 F N 1.972 121.644 119.950 -0.463 0.000 2.422 502 F HA 0.540 5.067 4.527 0.001 0.000 0.333 502 F C 0.546 176.302 175.800 -0.073 0.000 1.095 502 F CA -0.926 56.934 58.000 -0.233 0.000 1.038 502 F CB 1.251 40.159 39.000 -0.153 0.000 1.156 502 F HN 0.399 nan 8.300 nan 0.000 0.483 503 D N 3.472 124.045 120.400 0.288 0.000 2.420 503 D HA 0.238 4.878 4.640 0.001 0.000 0.255 503 D C -1.785 174.647 176.300 0.220 0.000 1.185 503 D CA -0.100 54.050 54.000 0.250 0.000 0.904 503 D CB 0.358 41.336 40.800 0.296 0.000 1.102 503 D HN 0.294 nan 8.370 nan 0.000 0.534 504 F N 3.195 123.137 119.950 -0.014 0.000 2.581 504 F HA 0.600 5.128 4.527 0.001 0.000 0.311 504 F C -1.227 174.459 175.800 -0.191 0.000 1.113 504 F CA -0.617 57.308 58.000 -0.125 0.000 0.935 504 F CB 1.443 40.310 39.000 -0.222 0.000 1.232 504 F HN 0.030 nan 8.300 nan 0.000 0.445 505 R N 4.376 124.336 120.500 -0.901 0.000 2.651 505 R HA 0.343 4.683 4.340 0.001 0.000 0.278 505 R C -1.619 174.056 176.300 -1.043 0.000 1.010 505 R CA -0.932 54.766 56.100 -0.670 0.000 0.896 505 R CB 1.728 31.845 30.300 -0.305 0.000 1.211 505 R HN 0.580 nan 8.270 nan 0.000 0.456 506 F N 3.025 122.756 119.950 -0.364 0.000 2.608 506 F HA 0.129 4.656 4.527 0.001 0.000 0.380 506 F C -1.219 174.454 175.800 -0.212 0.000 1.083 506 F CA -0.828 57.031 58.000 -0.234 0.000 1.266 506 F CB -0.333 38.648 39.000 -0.032 0.000 1.076 506 F HN 0.178 nan 8.300 nan 0.000 0.574 507 P HA -0.048 nan 4.420 nan 0.000 0.269 507 P C -0.074 177.235 177.300 0.015 0.000 1.205 507 P CA 0.391 63.475 63.100 -0.027 0.000 0.780 507 P CB 0.646 32.354 31.700 0.014 0.000 0.858 508 A N 1.546 124.365 122.820 -0.001 0.000 2.169 508 A HA 0.250 4.570 4.320 0.001 0.000 0.210 508 A C 1.704 179.296 177.584 0.013 0.000 1.168 508 A CA 1.415 53.454 52.037 0.003 0.000 0.813 508 A CB -0.770 18.224 19.000 -0.011 0.000 0.861 508 A HN 0.598 nan 8.150 nan 0.000 0.481 509 G N -0.621 108.193 108.800 0.023 0.000 2.568 509 G HA2 0.065 4.026 3.960 0.001 0.000 0.212 509 G HA3 0.065 4.026 3.960 0.001 0.000 0.212 509 G C 1.439 176.364 174.900 0.042 0.000 1.821 509 G CA 0.447 45.564 45.100 0.028 0.000 0.904 509 G HN 0.304 nan 8.290 nan 0.000 0.566 510 R N -0.435 120.097 120.500 0.053 0.000 2.083 510 R HA -0.093 4.247 4.340 0.001 0.000 0.237 510 R C 2.780 179.131 176.300 0.086 0.000 1.137 510 R CA 2.133 58.274 56.100 0.069 0.000 0.951 510 R CB -0.729 29.616 30.300 0.074 0.000 0.851 510 R HN 0.397 nan 8.270 nan 0.000 0.434 511 T N 0.089 114.698 114.554 0.092 0.000 2.684 511 T HA -0.118 4.232 4.350 0.001 0.000 0.267 511 T C 1.958 176.704 174.700 0.077 0.000 1.036 511 T CA 1.816 63.983 62.100 0.113 0.000 1.148 511 T CB -0.203 68.755 68.868 0.150 0.000 0.863 511 T HN 0.264 nan 8.240 nan 0.000 0.436 512 S N 0.637 116.369 115.700 0.053 0.000 2.368 512 S HA -0.050 4.420 4.470 0.001 0.000 0.224 512 S C 2.022 176.626 174.600 0.007 0.000 1.029 512 S CA 0.992 59.194 58.200 0.003 0.000 0.988 512 S CB -0.227 62.972 63.200 -0.003 0.000 0.838 512 S HN 0.480 nan 8.310 nan 0.000 0.462 513 K N 1.277 121.696 120.400 0.032 0.000 2.032 513 K HA -0.181 4.140 4.320 0.001 0.000 0.209 513 K C 1.915 178.555 176.600 0.066 0.000 1.048 513 K CA 1.607 57.919 56.287 0.043 0.000 0.927 513 K CB -0.145 32.386 32.500 0.051 0.000 0.712 513 K HN 0.396 nan 8.250 nan 0.000 0.441 514 E N -0.193 120.070 120.200 0.104 0.000 2.106 514 E HA -0.167 4.183 4.350 0.001 0.000 0.192 514 E C 1.976 178.615 176.600 0.065 0.000 0.984 514 E CA 0.904 57.407 56.400 0.173 0.000 0.806 514 E CB -0.093 29.761 29.700 0.257 0.000 0.750 514 E HN 0.438 nan 8.360 nan 0.000 0.458 515 A N 1.446 124.293 122.820 0.044 0.000 1.902 515 A HA -0.242 4.078 4.320 0.001 0.000 0.217 515 A C 2.094 179.722 177.584 0.073 0.000 1.181 515 A CA 1.758 53.819 52.037 0.040 0.000 0.623 515 A CB -0.353 18.634 19.000 -0.023 0.000 0.818 515 A HN 0.131 nan 8.150 nan 0.000 0.443 516 E N 0.524 120.758 120.200 0.057 0.000 2.107 516 E HA -0.142 4.208 4.350 0.001 0.000 0.191 516 E C 1.270 177.832 176.600 -0.064 0.000 0.982 516 E CA 1.439 57.875 56.400 0.060 0.000 0.809 516 E CB -0.292 29.429 29.700 0.034 0.000 0.756 516 E HN 0.520 nan 8.360 nan 0.000 0.459 517 D N -0.061 120.286 120.400 -0.088 0.000 2.144 517 D HA -0.183 4.457 4.640 0.001 0.000 0.199 517 D C 1.900 177.912 176.300 -0.480 0.000 0.984 517 D CA 1.210 55.135 54.000 -0.125 0.000 0.834 517 D CB -0.330 40.509 40.800 0.064 0.000 0.955 517 D HN 0.337 nan 8.370 nan 0.000 0.465 518 M N -0.292 118.778 119.600 -0.882 0.000 2.132 518 M HA -0.186 4.294 4.480 0.001 0.000 0.263 518 M C 2.046 177.942 176.300 -0.673 0.000 1.065 518 M CA 1.182 55.671 55.300 -1.352 0.000 1.122 518 M CB 0.006 31.950 32.600 -1.093 0.000 1.365 518 M HN -0.047 nan 8.290 nan 0.000 0.411 519 M N 0.563 119.872 119.600 -0.486 0.000 2.065 519 M HA -0.169 4.312 4.480 0.001 0.000 0.259 519 M C 1.815 177.906 176.300 -0.349 0.000 1.069 519 M CA 2.500 57.517 55.300 -0.472 0.000 1.110 519 M CB -1.022 31.346 32.600 -0.387 0.000 1.328 519 M HN 0.300 nan 8.290 nan 0.000 0.405 520 T N -0.029 114.389 114.554 -0.226 0.000 2.720 520 T HA -0.182 4.168 4.350 0.001 0.000 0.268 520 T C 1.516 176.156 174.700 -0.100 0.000 1.037 520 T CA 1.837 63.860 62.100 -0.128 0.000 1.144 520 T CB -0.667 68.169 68.868 -0.052 0.000 0.864 520 T HN 0.543 nan 8.240 nan 0.000 0.444 521 D N 0.524 120.875 120.400 -0.081 0.000 2.123 521 D HA -0.083 4.557 4.640 0.001 0.000 0.196 521 D C 2.067 178.388 176.300 0.034 0.000 0.992 521 D CA 0.907 54.977 54.000 0.117 0.000 0.833 521 D CB -0.248 40.767 40.800 0.359 0.000 0.954 521 D HN 0.297 nan 8.370 nan 0.000 0.455 522 M N -0.507 118.873 119.600 -0.366 0.000 2.117 522 M HA -0.180 4.301 4.480 0.001 0.000 0.262 522 M C 1.966 177.967 176.300 -0.499 0.000 1.065 522 M CA 1.361 56.150 55.300 -0.851 0.000 1.114 522 M CB -0.153 31.682 32.600 -1.276 0.000 1.361 522 M HN 0.209 nan 8.290 nan 0.000 0.408 523 C N -0.427 118.687 119.300 -0.310 0.000 2.429 523 C HA -0.111 4.349 4.460 0.001 0.000 0.277 523 C C 2.663 177.568 174.990 -0.142 0.000 1.262 523 C CA 0.838 59.778 59.018 -0.129 0.000 1.733 523 C CB -1.029 26.683 27.740 -0.046 0.000 2.010 523 C HN 0.492 nan 8.230 nan 0.000 0.483 524 V N 0.526 120.388 119.914 -0.086 0.000 2.307 524 V HA -0.271 3.849 4.120 0.001 0.000 0.245 524 V C 2.403 178.485 176.094 -0.020 0.000 1.045 524 V CA 2.219 64.500 62.300 -0.031 0.000 1.024 524 V CB -0.653 31.204 31.823 0.056 0.000 0.651 524 V HN 0.583 nan 8.190 nan 0.000 0.449 525 M N 0.751 120.383 119.600 0.054 0.000 2.099 525 M HA -0.164 4.316 4.480 0.001 0.000 0.262 525 M C 2.490 178.696 176.300 -0.157 0.000 1.067 525 M CA 2.337 57.743 55.300 0.177 0.000 1.124 525 M CB -0.206 32.668 32.600 0.457 0.000 1.353 525 M HN 0.546 nan 8.290 nan 0.000 0.410 526 S N 0.554 115.840 115.700 -0.689 0.000 2.399 526 S HA -0.075 4.395 4.470 0.001 0.000 0.231 526 S C 1.959 176.208 174.600 -0.585 0.000 1.022 526 S CA 1.031 58.430 58.200 -1.336 0.000 0.983 526 S CB -0.884 61.276 63.200 -1.734 0.000 0.803 526 S HN 0.578 nan 8.310 nan 0.000 0.480 527 A N 1.873 124.440 122.820 -0.422 0.000 2.125 527 A HA 0.019 4.340 4.320 0.001 0.000 0.219 527 A C 2.138 179.607 177.584 -0.192 0.000 1.156 527 A CA 1.193 53.029 52.037 -0.335 0.000 0.671 527 A CB -0.510 18.317 19.000 -0.289 0.000 0.794 527 A HN 0.646 nan 8.150 nan 0.000 0.459 528 K N -0.690 119.638 120.400 -0.120 0.000 2.365 528 K HA 0.047 4.367 4.320 0.001 0.000 0.199 528 K C 1.020 177.619 176.600 -0.002 0.000 1.045 528 K CA 0.676 56.936 56.287 -0.045 0.000 0.962 528 K CB 0.034 32.536 32.500 0.003 0.000 0.759 528 K HN 0.407 nan 8.250 nan 0.000 0.469 529 I N -0.814 119.773 120.570 0.028 0.000 3.445 529 I HA 0.167 4.338 4.170 0.001 0.000 0.288 529 I C 1.070 177.212 176.117 0.042 0.000 1.198 529 I CA 0.518 61.879 61.300 0.102 0.000 1.417 529 I CB 0.205 38.400 38.000 0.324 0.000 1.205 529 I HN 0.082 nan 8.210 nan 0.000 0.448 530 G N -0.533 108.241 108.800 -0.042 0.000 2.356 530 G HA2 0.453 4.414 3.960 0.001 0.000 0.294 530 G HA3 0.453 4.414 3.960 0.001 0.000 0.294 530 G C -0.626 174.140 174.900 -0.224 0.000 1.423 530 G CA -0.170 44.879 45.100 -0.085 0.000 0.806 530 G HN 0.265 nan 8.290 nan 0.000 0.527 531 G N -1.077 107.584 108.800 -0.231 0.000 2.606 531 G HA2 0.532 4.493 3.960 0.001 0.000 0.252 531 G HA3 0.532 4.493 3.960 0.001 0.000 0.252 531 G C -0.161 174.560 174.900 -0.297 0.000 1.206 531 G CA -0.450 44.420 45.100 -0.382 0.000 0.861 531 G HN 0.460 nan 8.290 nan 0.000 0.561 532 F N -0.749 119.120 119.950 -0.134 0.000 2.553 532 F HA 0.188 4.715 4.527 0.001 0.000 0.356 532 F C 0.735 176.490 175.800 -0.075 0.000 1.142 532 F CA -0.707 57.211 58.000 -0.138 0.000 1.322 532 F CB 0.560 39.462 39.000 -0.162 0.000 1.126 532 F HN 0.187 nan 8.300 nan 0.000 0.599 533 L N 5.698 127.011 121.223 0.150 0.000 2.315 533 L HA 0.408 4.748 4.340 0.001 0.000 0.283 533 L C -2.412 174.513 176.870 0.090 0.000 1.089 533 L CA -1.950 52.951 54.840 0.102 0.000 0.833 533 L CB 0.048 42.176 42.059 0.116 0.000 1.170 533 L HN 0.268 nan 8.230 nan 0.000 0.442 534 P HA 0.201 nan 4.420 nan 0.000 0.264 534 P C 0.657 177.995 177.300 0.063 0.000 1.183 534 P CA 0.917 64.052 63.100 0.058 0.000 0.763 534 P CB 0.670 32.398 31.700 0.046 0.000 0.807 535 G N 1.844 110.672 108.800 0.046 0.000 2.199 535 G HA2 -0.237 3.723 3.960 0.001 0.000 0.254 535 G HA3 -0.237 3.723 3.960 0.001 0.000 0.254 535 G C 0.475 175.417 174.900 0.070 0.000 0.982 535 G CA 0.263 45.397 45.100 0.058 0.000 0.632 535 G HN 0.534 nan 8.290 nan 0.000 0.529 536 S N 0.598 116.325 115.700 0.045 0.000 2.665 536 S HA 0.494 4.964 4.470 0.001 0.000 0.235 536 S C 0.423 174.921 174.600 -0.170 0.000 1.084 536 S CA -0.553 57.658 58.200 0.019 0.000 1.151 536 S CB 0.271 63.505 63.200 0.056 0.000 1.151 536 S HN 0.478 nan 8.310 nan 0.000 0.461 537 L N 2.669 123.786 121.223 -0.176 0.000 2.453 537 L HA 0.372 4.713 4.340 0.001 0.000 0.261 537 L C -1.993 174.574 176.870 -0.504 0.000 1.179 537 L CA -2.198 52.409 54.840 -0.389 0.000 0.813 537 L CB -0.068 41.829 42.059 -0.271 0.000 1.110 537 L HN 0.069 nan 8.230 nan 0.000 0.466 538 P HA 0.003 nan 4.420 nan 0.000 0.264 538 P C -1.452 175.609 177.300 -0.397 0.000 1.193 538 P CA 0.101 62.800 63.100 -0.667 0.000 0.763 538 P CB 0.591 31.790 31.700 -0.835 0.000 0.810 539 Q N 1.831 121.441 119.800 -0.316 0.000 2.472 539 Q HA 0.467 4.808 4.340 0.001 0.000 0.281 539 Q C -1.541 174.328 176.000 -0.219 0.000 0.997 539 Q CA -0.891 54.808 55.803 -0.173 0.000 0.828 539 Q CB 0.683 29.390 28.738 -0.052 0.000 1.443 539 Q HN 0.111 nan 8.270 nan 0.000 0.390 540 F N 1.616 121.506 119.950 -0.102 0.000 2.412 540 F HA 0.334 4.861 4.527 0.001 0.000 0.348 540 F C 0.599 176.359 175.800 -0.066 0.000 1.102 540 F CA -0.336 57.605 58.000 -0.098 0.000 1.196 540 F CB 1.044 39.978 39.000 -0.110 0.000 1.144 540 F HN 0.399 nan 8.300 nan 0.000 0.541 541 M N 1.516 121.170 119.600 0.091 0.000 2.283 541 M HA 0.142 4.622 4.480 0.001 0.000 0.314 541 M C 0.248 176.581 176.300 0.054 0.000 1.153 541 M CA -0.551 54.765 55.300 0.026 0.000 1.084 541 M CB 0.556 33.122 32.600 -0.057 0.000 1.468 541 M HN 0.580 nan 8.290 nan 0.000 0.474 542 E N 2.448 122.654 120.200 0.010 0.000 2.608 542 E HA -0.018 4.332 4.350 0.001 0.000 0.259 542 E C -2.155 174.457 176.600 0.020 0.000 0.951 542 E CA -1.142 55.263 56.400 0.008 0.000 0.945 542 E CB 0.304 29.987 29.700 -0.028 0.000 0.916 542 E HN 0.179 nan 8.360 nan 0.000 0.477 543 P HA -0.002 nan 4.420 nan 0.000 0.261 543 P C 0.297 177.534 177.300 -0.105 0.000 1.183 543 P CA 1.240 64.370 63.100 0.051 0.000 0.761 543 P CB 0.604 32.318 31.700 0.023 0.000 0.785 544 G N 2.598 111.338 108.800 -0.099 0.000 2.176 544 G HA2 -0.327 3.633 3.960 0.001 0.000 0.253 544 G HA3 -0.327 3.633 3.960 0.001 0.000 0.253 544 G C 0.762 175.609 174.900 -0.089 0.000 0.979 544 G CA 0.203 45.202 45.100 -0.169 0.000 0.641 544 G HN 0.531 nan 8.290 nan 0.000 0.530 545 L N 0.781 121.967 121.223 -0.062 0.000 2.191 545 L HA 0.163 4.504 4.340 0.001 0.000 0.212 545 L C 2.789 179.632 176.870 -0.046 0.000 1.103 545 L CA 2.392 57.198 54.840 -0.055 0.000 0.769 545 L CB -0.285 41.733 42.059 -0.069 0.000 0.908 545 L HN 0.406 nan 8.230 nan 0.000 0.438 546 V N -0.149 119.734 119.914 -0.051 0.000 2.594 546 V HA -0.168 3.952 4.120 0.001 0.000 0.253 546 V C 1.486 177.496 176.094 -0.140 0.000 1.069 546 V CA 1.162 63.403 62.300 -0.098 0.000 1.082 546 V CB -0.292 31.491 31.823 -0.066 0.000 0.680 546 V HN 0.485 nan 8.190 nan 0.000 0.469 547 L N 0.211 121.432 121.223 -0.002 0.000 3.597 547 L HA -0.241 4.099 4.340 0.001 0.000 0.440 547 L C 0.260 177.330 176.870 0.332 0.000 1.277 547 L CA 0.831 55.747 54.840 0.127 0.000 0.852 547 L CB -2.448 39.708 42.059 0.162 0.000 1.708 547 L HN 0.573 nan 8.230 nan 0.000 0.885 548 H N -0.837 118.337 119.070 0.172 0.000 2.492 548 H HA 0.274 4.831 4.556 0.001 0.000 0.264 548 H C 0.496 175.962 175.328 0.229 0.000 1.150 548 H CA -1.083 55.106 56.048 0.235 0.000 0.962 548 H CB 0.777 30.718 29.762 0.298 0.000 1.766 548 H HN 0.207 nan 8.280 nan 0.000 0.589 549 L N 1.937 123.310 121.223 0.251 0.000 2.525 549 L HA 0.229 4.570 4.340 0.001 0.000 0.278 549 L C 0.607 177.614 176.870 0.229 0.000 1.218 549 L CA 0.804 55.744 54.840 0.166 0.000 0.878 549 L CB 0.393 42.513 42.059 0.102 0.000 1.127 549 L HN 0.298 nan 8.230 nan 0.000 0.492 550 G N 1.692 110.637 108.800 0.241 0.000 2.725 550 G HA2 0.542 4.502 3.960 0.001 0.000 0.288 550 G HA3 0.542 4.502 3.960 0.001 0.000 0.288 550 G C 0.209 175.216 174.900 0.178 0.000 1.399 550 G CA -0.255 44.998 45.100 0.256 0.000 0.859 550 G HN 1.321 nan 8.290 nan 0.000 0.479 551 G N -1.206 107.662 108.800 0.114 0.000 2.143 551 G HA2 -0.210 3.750 3.960 0.001 0.000 0.249 551 G HA3 -0.210 3.750 3.960 0.001 0.000 0.249 551 G C 1.278 176.240 174.900 0.102 0.000 0.981 551 G CA 1.496 46.669 45.100 0.121 0.000 0.665 551 G HN 1.884 nan 8.290 nan 0.000 0.528 552 T N -2.046 112.515 114.554 0.012 0.000 3.023 552 T HA 0.155 4.505 4.350 0.001 0.000 0.266 552 T C 1.042 175.817 174.700 0.126 0.000 1.093 552 T CA 1.761 63.910 62.100 0.082 0.000 1.129 552 T CB -0.256 68.664 68.868 0.086 0.000 0.899 552 T HN 1.380 nan 8.240 nan 0.000 0.491 553 H N 0.142 119.287 119.070 0.125 0.000 2.597 553 H HA 0.494 5.050 4.556 0.001 0.000 0.225 553 H C -0.059 175.318 175.328 0.081 0.000 1.422 553 H CA -1.323 54.777 56.048 0.087 0.000 1.335 553 H CB -0.200 29.576 29.762 0.023 0.000 1.783 553 H HN 0.348 nan 8.280 nan 0.000 0.513 554 R N 0.859 121.449 120.500 0.150 0.000 2.679 554 R HA 0.304 4.644 4.340 0.001 0.000 0.269 554 R C -0.407 175.962 176.300 0.115 0.000 1.076 554 R CA -0.727 55.434 56.100 0.101 0.000 1.160 554 R CB 0.964 31.316 30.300 0.085 0.000 1.054 554 R HN 0.479 nan 8.270 nan 0.000 0.507 555 M N 1.357 120.998 119.600 0.069 0.000 2.277 555 M HA 0.447 4.927 4.480 0.001 0.000 0.350 555 M C -0.498 175.808 176.300 0.010 0.000 1.180 555 M CA 0.198 55.516 55.300 0.029 0.000 1.103 555 M CB 1.632 34.221 32.600 -0.018 0.000 1.577 555 M HN 0.955 nan 8.290 nan 0.000 0.459 556 G N 2.162 110.981 108.800 0.031 0.000 2.554 556 G HA2 0.404 4.364 3.960 0.001 0.000 0.306 556 G HA3 0.404 4.364 3.960 0.001 0.000 0.306 556 G C -0.950 173.953 174.900 0.004 0.000 1.320 556 G CA -0.632 44.433 45.100 -0.057 0.000 0.800 556 G HN 0.655 nan 8.290 nan 0.000 0.481 557 F N -0.075 119.985 119.950 0.182 0.000 2.270 557 F HA 0.301 4.828 4.527 0.001 0.000 0.295 557 F C 0.989 176.925 175.800 0.227 0.000 1.087 557 F CA 0.927 59.038 58.000 0.185 0.000 1.365 557 F CB 0.480 39.543 39.000 0.105 0.000 1.056 557 F HN 0.350 nan 8.300 nan 0.000 0.506 558 D N -0.841 119.717 120.400 0.262 0.000 2.757 558 D HA 0.129 4.770 4.640 0.001 0.000 0.249 558 D C 0.728 176.832 176.300 -0.326 0.000 1.168 558 D CA -0.225 53.753 54.000 -0.035 0.000 0.870 558 D CB 1.334 42.145 40.800 0.018 0.000 1.411 558 D HN 0.084 nan 8.370 nan 0.000 0.525 559 E N 3.157 122.800 120.200 -0.929 0.000 2.070 559 E HA -0.275 4.075 4.350 0.001 0.000 0.197 559 E C 1.298 177.714 176.600 -0.306 0.000 1.004 559 E CA 1.269 57.137 56.400 -0.887 0.000 0.805 559 E CB 0.280 29.380 29.700 -0.999 0.000 0.744 559 E HN 0.442 nan 8.360 nan 0.000 0.451 560 K N 0.162 120.429 120.400 -0.221 0.000 2.044 560 K HA -0.127 4.193 4.320 0.001 0.000 0.204 560 K C 2.088 178.657 176.600 -0.053 0.000 1.045 560 K CA 1.268 57.498 56.287 -0.095 0.000 0.951 560 K CB 0.007 32.467 32.500 -0.066 0.000 0.738 560 K HN 0.064 nan 8.250 nan 0.000 0.443 561 E N 0.538 120.711 120.200 -0.045 0.000 2.097 561 E HA -0.185 4.165 4.350 0.001 0.000 0.196 561 E C 0.837 177.437 176.600 -0.000 0.000 1.000 561 E CA 1.519 57.915 56.400 -0.007 0.000 0.804 561 E CB 0.064 29.772 29.700 0.015 0.000 0.740 561 E HN 0.369 nan 8.360 nan 0.000 0.454 562 D N -0.121 120.273 120.400 -0.010 0.000 2.368 562 D HA 0.056 4.696 4.640 0.001 0.000 0.218 562 D C -0.680 175.564 176.300 -0.092 0.000 1.112 562 D CA -0.020 53.972 54.000 -0.013 0.000 0.834 562 D CB -0.020 40.813 40.800 0.054 0.000 0.953 562 D HN 0.127 nan 8.370 nan 0.000 0.505 563 N N 0.699 119.343 118.700 -0.094 0.000 2.667 563 N HA -0.194 4.547 4.740 0.001 0.000 0.263 563 N C -0.267 175.181 175.510 -0.104 0.000 1.038 563 N CA 0.508 53.486 53.050 -0.120 0.000 0.749 563 N CB -1.409 36.878 38.487 -0.334 0.000 0.892 563 N HN 0.418 nan 8.380 nan 0.000 0.546 564 C N -3.182 116.127 119.300 0.016 0.000 3.291 564 C HA 0.759 5.220 4.460 0.001 0.000 0.316 564 C C 1.336 176.502 174.990 0.293 0.000 1.391 564 C CA -0.703 58.396 59.018 0.134 0.000 1.394 564 C CB 1.512 29.352 27.740 0.166 0.000 1.744 564 C HN 0.494 nan 8.230 nan 0.000 0.461 565 C N 0.395 119.905 119.300 0.349 0.000 2.800 565 C HA 0.477 4.938 4.460 0.001 0.000 0.379 565 C C 0.766 175.903 174.990 0.245 0.000 1.304 565 C CA 0.646 59.878 59.018 0.357 0.000 1.960 565 C CB -0.388 27.484 27.740 0.219 0.000 2.599 565 C HN 0.974 nan 8.230 nan 0.000 0.578 566 V N 1.354 121.295 119.914 0.044 0.000 2.960 566 V HA 0.699 4.819 4.120 0.001 0.000 0.315 566 V C -0.721 175.063 176.094 -0.517 0.000 1.087 566 V CA -0.635 61.456 62.300 -0.348 0.000 0.982 566 V CB 1.529 33.260 31.823 -0.154 0.000 1.039 566 V HN 0.422 nan 8.190 nan 0.000 0.437 567 N N 0.825 119.047 118.700 -0.797 0.000 2.418 567 N HA 0.245 4.985 4.740 0.001 0.000 0.283 567 N C 1.059 176.428 175.510 -0.235 0.000 1.267 567 N CA 0.236 53.005 53.050 -0.467 0.000 0.975 567 N CB 0.189 38.384 38.487 -0.488 0.000 1.167 567 N HN 0.941 nan 8.380 nan 0.000 0.581 568 T N -4.411 110.046 114.554 -0.162 0.000 3.098 568 T HA -0.023 4.327 4.350 0.001 0.000 0.266 568 T C 0.138 174.756 174.700 -0.138 0.000 1.145 568 T CA 0.742 62.747 62.100 -0.157 0.000 1.092 568 T CB -0.398 68.394 68.868 -0.128 0.000 0.908 568 T HN 0.457 nan 8.240 nan 0.000 0.526 569 D N 1.149 121.459 120.400 -0.150 0.000 2.325 569 D HA 0.179 4.819 4.640 0.001 0.000 0.225 569 D C 0.600 176.897 176.300 -0.004 0.000 1.096 569 D CA 0.113 54.039 54.000 -0.124 0.000 0.844 569 D CB 0.005 40.604 40.800 -0.335 0.000 0.925 569 D HN 0.336 nan 8.370 nan 0.000 0.513 570 S N 0.304 115.979 115.700 -0.041 0.000 3.521 570 S HA -0.275 4.195 4.470 0.001 0.000 0.328 570 S C 0.582 175.200 174.600 0.031 0.000 1.165 570 S CA 0.505 58.720 58.200 0.025 0.000 0.941 570 S CB -1.346 61.934 63.200 0.134 0.000 0.951 570 S HN 0.481 nan 8.310 nan 0.000 0.539 571 R N 1.172 121.576 120.500 -0.160 0.000 2.308 571 R HA 0.440 4.781 4.340 0.001 0.000 0.305 571 R C -0.028 175.991 176.300 -0.468 0.000 1.053 571 R CA -0.435 55.384 56.100 -0.468 0.000 0.957 571 R CB 0.647 30.634 30.300 -0.521 0.000 1.022 571 R HN 0.137 nan 8.270 nan 0.000 0.461 572 V N 6.220 125.893 119.914 -0.401 0.000 2.540 572 V HA -0.010 4.111 4.120 0.001 0.000 0.297 572 V C 0.263 176.327 176.094 -0.051 0.000 1.024 572 V CA 0.266 62.431 62.300 -0.225 0.000 1.105 572 V CB -0.198 31.494 31.823 -0.220 0.000 0.938 572 V HN 0.565 nan 8.190 nan 0.000 0.482 573 F N 3.673 123.687 119.950 0.107 0.000 2.629 573 F HA 0.398 4.925 4.527 0.001 0.000 0.377 573 F C 1.610 177.527 175.800 0.194 0.000 1.101 573 F CA 1.679 59.749 58.000 0.117 0.000 1.301 573 F CB 0.041 39.100 39.000 0.098 0.000 1.062 573 F HN 0.794 nan 8.300 nan 0.000 0.583 574 G N 2.092 111.053 108.800 0.267 0.000 2.320 574 G HA2 -0.309 3.651 3.960 0.001 0.000 0.242 574 G HA3 -0.309 3.651 3.960 0.001 0.000 0.242 574 G C -0.008 174.837 174.900 -0.092 0.000 1.033 574 G CA -0.392 44.752 45.100 0.073 0.000 0.620 574 G HN 0.436 nan 8.290 nan 0.000 0.517 575 F N 1.525 121.493 119.950 0.029 0.000 2.408 575 F HA 0.599 5.127 4.527 0.001 0.000 0.344 575 F C 1.512 177.296 175.800 -0.028 0.000 1.112 575 F CA -0.791 57.211 58.000 0.003 0.000 1.096 575 F CB 1.554 40.546 39.000 -0.012 0.000 1.129 575 F HN -0.216 nan 8.300 nan 0.000 0.486 576 K N 1.687 122.195 120.400 0.179 0.000 2.155 576 K HA -0.061 4.259 4.320 0.001 0.000 0.203 576 K C 0.817 177.620 176.600 0.337 0.000 1.052 576 K CA 0.938 57.369 56.287 0.240 0.000 0.948 576 K CB -0.073 32.581 32.500 0.257 0.000 0.728 576 K HN 0.637 nan 8.250 nan 0.000 0.448 577 N N 0.110 118.962 118.700 0.254 0.000 2.241 577 N HA 0.042 4.783 4.740 0.001 0.000 0.238 577 N C -0.510 175.048 175.510 0.081 0.000 1.244 577 N CA -0.351 52.856 53.050 0.261 0.000 0.880 577 N CB -0.012 38.682 38.487 0.344 0.000 1.179 577 N HN -0.039 nan 8.380 nan 0.000 0.513 578 L N 0.365 121.432 121.223 -0.259 0.000 2.356 578 L HA 0.720 5.060 4.340 0.001 0.000 0.277 578 L C -1.822 174.631 176.870 -0.695 0.000 0.996 578 L CA -0.661 54.000 54.840 -0.299 0.000 0.822 578 L CB 1.028 42.895 42.059 -0.319 0.000 1.256 578 L HN -0.042 nan 8.230 nan 0.000 0.413 579 F N 4.825 124.693 119.950 -0.136 0.000 2.563 579 F HA 0.676 5.203 4.527 0.001 0.000 0.316 579 F C -0.657 174.996 175.800 -0.244 0.000 1.076 579 F CA -0.670 57.236 58.000 -0.156 0.000 0.921 579 F CB 1.945 40.889 39.000 -0.093 0.000 1.209 579 F HN 0.218 nan 8.300 nan 0.000 0.462 580 L N 1.865 123.055 121.223 -0.056 0.000 2.365 580 L HA 0.861 5.202 4.340 0.001 0.000 0.273 580 L C 0.004 176.875 176.870 0.002 0.000 1.000 580 L CA -0.807 53.922 54.840 -0.186 0.000 0.819 580 L CB 1.981 43.789 42.059 -0.418 0.000 1.284 580 L HN 0.787 nan 8.230 nan 0.000 0.418 581 G N 0.435 109.243 108.800 0.013 0.000 2.482 581 G HA2 0.794 4.755 3.960 0.001 0.000 0.317 581 G HA3 0.794 4.755 3.960 0.001 0.000 0.317 581 G C -0.452 174.559 174.900 0.185 0.000 1.241 581 G CA -0.250 44.959 45.100 0.182 0.000 0.967 581 G HN 0.963 nan 8.290 nan 0.000 0.482 582 G N -1.121 107.785 108.800 0.177 0.000 2.343 582 G HA2 0.045 4.005 3.960 0.001 0.000 0.465 582 G HA3 0.045 4.005 3.960 0.001 0.000 0.465 582 G C 0.749 175.699 174.900 0.084 0.000 1.282 582 G CA 0.056 45.235 45.100 0.132 0.000 0.996 582 G HN 1.132 nan 8.290 nan 0.000 0.521 583 C N 0.673 120.000 119.300 0.044 0.000 2.432 583 C HA 0.216 4.676 4.460 0.001 0.000 0.282 583 C C 3.027 177.995 174.990 -0.036 0.000 1.388 583 C CA 1.760 60.783 59.018 0.009 0.000 1.777 583 C CB -1.320 26.457 27.740 0.061 0.000 1.882 583 C HN 1.271 nan 8.230 nan 0.000 0.520 584 G N 1.242 109.937 108.800 -0.175 0.000 2.479 584 G HA2 -0.219 3.742 3.960 0.001 0.000 0.220 584 G HA3 -0.219 3.742 3.960 0.001 0.000 0.220 584 G C 1.417 175.985 174.900 -0.554 0.000 1.115 584 G CA 0.755 45.497 45.100 -0.597 0.000 0.757 584 G HN 0.554 nan 8.290 nan 0.000 0.560 585 N N 0.331 118.914 118.700 -0.194 0.000 2.396 585 N HA 0.020 4.761 4.740 0.001 0.000 0.180 585 N C 0.877 176.402 175.510 0.024 0.000 1.028 585 N CA 0.183 53.247 53.050 0.023 0.000 0.893 585 N CB 0.047 38.600 38.487 0.109 0.000 0.967 585 N HN 0.308 nan 8.380 nan 0.000 0.440 586 I N 2.977 123.559 120.570 0.019 0.000 2.436 586 I HA 0.045 4.216 4.170 0.001 0.000 0.289 586 I C -1.344 174.861 176.117 0.147 0.000 1.083 586 I CA -1.038 60.296 61.300 0.056 0.000 1.372 586 I CB 1.286 39.251 38.000 -0.058 0.000 1.408 586 I HN -0.066 nan 8.210 nan 0.000 0.516 587 P HA 0.055 nan 4.420 nan 0.000 0.264 587 P C 0.330 177.724 177.300 0.156 0.000 1.259 587 P CA 0.201 63.376 63.100 0.125 0.000 0.841 587 P CB 0.173 31.907 31.700 0.058 0.000 1.232 588 T N -1.990 112.688 114.554 0.207 0.000 2.847 588 T HA 0.633 4.984 4.350 0.001 0.000 0.279 588 T C 0.316 175.166 174.700 0.250 0.000 0.984 588 T CA -0.786 61.431 62.100 0.194 0.000 0.988 588 T CB 1.035 69.995 68.868 0.154 0.000 1.040 588 T HN 0.072 nan 8.240 nan 0.000 0.528 589 A N 2.108 125.006 122.820 0.130 0.000 2.350 589 A HA 0.574 4.895 4.320 0.001 0.000 0.293 589 A C -0.543 177.027 177.584 -0.024 0.000 1.231 589 A CA -0.813 51.252 52.037 0.046 0.000 0.883 589 A CB -0.976 18.069 19.000 0.075 0.000 1.133 589 A HN 0.876 nan 8.150 nan 0.000 0.533 590 Y N -0.262 119.976 120.300 -0.103 0.000 2.499 590 Y HA 0.718 5.269 4.550 0.001 0.000 0.347 590 Y C 0.704 176.506 175.900 -0.163 0.000 0.987 590 Y CA -0.808 57.055 58.100 -0.395 0.000 1.044 590 Y CB 1.447 39.442 38.460 -0.775 0.000 1.245 590 Y HN 0.374 nan 8.280 nan 0.000 0.461 591 G N 0.590 109.337 108.800 -0.089 0.000 2.743 591 G HA2 0.405 4.365 3.960 0.001 0.000 0.206 591 G HA3 0.405 4.365 3.960 0.001 0.000 0.206 591 G C 0.440 175.440 174.900 0.166 0.000 1.115 591 G CA 0.157 45.379 45.100 0.203 0.000 0.782 591 G HN 0.961 nan 8.290 nan 0.000 0.524 592 A N 0.815 123.562 122.820 -0.122 0.000 2.386 592 A HA 0.448 4.768 4.320 0.001 0.000 0.246 592 A C -0.023 177.500 177.584 -0.102 0.000 1.089 592 A CA -0.408 51.455 52.037 -0.290 0.000 0.790 592 A CB 0.023 18.837 19.000 -0.310 0.000 1.042 592 A HN 0.357 nan 8.150 nan 0.000 0.497 593 N N 1.885 120.400 118.700 -0.308 0.000 2.468 593 N HA 0.241 4.982 4.740 0.001 0.000 0.265 593 N C -1.965 173.475 175.510 -0.117 0.000 1.199 593 N CA -0.927 51.926 53.050 -0.329 0.000 0.928 593 N CB 0.487 38.827 38.487 -0.246 0.000 1.059 593 N HN 0.422 nan 8.380 nan 0.000 0.467 594 P HA -0.024 nan 4.420 nan 0.000 0.235 594 P C 0.530 177.737 177.300 -0.155 0.000 1.177 594 P CA 0.721 63.747 63.100 -0.123 0.000 0.785 594 P CB 0.325 31.942 31.700 -0.140 0.000 0.885 595 T N 1.072 115.598 114.554 -0.047 0.000 2.746 595 T HA -0.141 4.209 4.350 0.001 0.000 0.267 595 T C 1.799 176.578 174.700 0.131 0.000 1.039 595 T CA 1.052 63.179 62.100 0.045 0.000 1.142 595 T CB -0.840 68.074 68.868 0.077 0.000 0.866 595 T HN 0.015 nan 8.240 nan 0.000 0.444 596 L N 1.033 122.358 121.223 0.169 0.000 2.042 596 L HA -0.112 4.228 4.340 0.001 0.000 0.210 596 L C 2.540 179.489 176.870 0.132 0.000 1.076 596 L CA 1.779 56.773 54.840 0.257 0.000 0.749 596 L CB -1.064 41.132 42.059 0.229 0.000 0.893 596 L HN 0.203 nan 8.230 nan 0.000 0.432 597 T N -0.370 114.139 114.554 -0.073 0.000 2.708 597 T HA -0.173 4.177 4.350 0.001 0.000 0.266 597 T C 1.903 176.516 174.700 -0.145 0.000 1.037 597 T CA 1.332 63.284 62.100 -0.247 0.000 1.146 597 T CB -0.545 67.763 68.868 -0.934 0.000 0.865 597 T HN 0.524 nan 8.240 nan 0.000 0.435 598 A N 1.405 124.150 122.820 -0.126 0.000 1.933 598 A HA -0.071 4.249 4.320 0.001 0.000 0.218 598 A C 2.309 179.860 177.584 -0.056 0.000 1.175 598 A CA 1.849 53.848 52.037 -0.063 0.000 0.628 598 A CB -0.730 18.252 19.000 -0.030 0.000 0.814 598 A HN 0.539 nan 8.150 nan 0.000 0.444 599 M N -0.434 119.140 119.600 -0.043 0.000 2.117 599 M HA -0.130 4.350 4.480 0.001 0.000 0.262 599 M C 2.076 178.284 176.300 -0.154 0.000 1.065 599 M CA 2.074 57.320 55.300 -0.089 0.000 1.114 599 M CB -0.109 32.445 32.600 -0.076 0.000 1.361 599 M HN 0.353 nan 8.290 nan 0.000 0.408 600 S N 0.977 116.584 115.700 -0.155 0.000 2.383 600 S HA -0.067 4.403 4.470 0.001 0.000 0.227 600 S C 1.736 176.134 174.600 -0.336 0.000 1.026 600 S CA 1.193 59.230 58.200 -0.272 0.000 0.981 600 S CB -0.416 62.569 63.200 -0.358 0.000 0.818 600 S HN 0.497 nan 8.310 nan 0.000 0.472 601 L N 1.071 122.141 121.223 -0.255 0.000 2.093 601 L HA -0.082 4.258 4.340 0.001 0.000 0.208 601 L C 2.773 179.505 176.870 -0.231 0.000 1.085 601 L CA 1.113 55.804 54.840 -0.248 0.000 0.755 601 L CB -0.673 41.311 42.059 -0.124 0.000 0.904 601 L HN 0.309 nan 8.230 nan 0.000 0.435 602 A N 0.415 123.097 122.820 -0.231 0.000 1.933 602 A HA -0.174 4.146 4.320 0.001 0.000 0.218 602 A C 2.223 179.485 177.584 -0.537 0.000 1.175 602 A CA 1.449 53.241 52.037 -0.408 0.000 0.628 602 A CB -0.651 18.129 19.000 -0.368 0.000 0.814 602 A HN 0.345 nan 8.150 nan 0.000 0.444 603 I N -0.422 119.924 120.570 -0.373 0.000 2.163 603 I HA -0.304 3.866 4.170 0.001 0.000 0.243 603 I C 2.550 178.491 176.117 -0.294 0.000 1.085 603 I CA 2.005 63.114 61.300 -0.319 0.000 1.347 603 I CB -0.259 37.568 38.000 -0.289 0.000 1.044 603 I HN 0.394 nan 8.210 nan 0.000 0.408 604 K N 0.507 120.732 120.400 -0.293 0.000 2.057 604 K HA -0.220 4.101 4.320 0.001 0.000 0.207 604 K C 2.352 178.853 176.600 -0.165 0.000 1.049 604 K CA 1.828 57.973 56.287 -0.236 0.000 0.931 604 K CB -0.124 32.204 32.500 -0.287 0.000 0.714 604 K HN 0.140 nan 8.250 nan 0.000 0.440 605 S N -0.090 115.493 115.700 -0.196 0.000 2.368 605 S HA -0.149 4.321 4.470 0.001 0.000 0.225 605 S C 2.029 176.509 174.600 -0.200 0.000 1.030 605 S CA 1.365 59.488 58.200 -0.128 0.000 0.999 605 S CB -0.454 62.707 63.200 -0.066 0.000 0.844 605 S HN 0.572 nan 8.310 nan 0.000 0.459 606 C N 1.545 120.637 119.300 -0.346 0.000 2.422 606 C HA 0.017 4.477 4.460 0.001 0.000 0.279 606 C C 2.493 177.385 174.990 -0.163 0.000 1.305 606 C CA 0.690 59.526 59.018 -0.304 0.000 1.757 606 C CB -1.419 26.107 27.740 -0.357 0.000 1.962 606 C HN 0.681 nan 8.230 nan 0.000 0.499 607 E N -0.696 119.433 120.200 -0.117 0.000 2.072 607 E HA -0.227 4.123 4.350 0.001 0.000 0.191 607 E C 1.828 178.426 176.600 -0.004 0.000 0.985 607 E CA 1.277 57.643 56.400 -0.056 0.000 0.801 607 E CB -0.303 29.360 29.700 -0.063 0.000 0.750 607 E HN 0.824 nan 8.360 nan 0.000 0.452 608 Y N 1.304 121.560 120.300 -0.074 0.000 2.181 608 Y HA -0.222 4.328 4.550 0.001 0.000 0.288 608 Y C 1.976 177.902 175.900 0.043 0.000 1.146 608 Y CA 1.474 59.574 58.100 0.001 0.000 1.164 608 Y CB -0.040 38.452 38.460 0.052 0.000 0.982 608 Y HN -0.056 nan 8.280 nan 0.000 0.515 609 I N 0.253 120.828 120.570 0.008 0.000 2.226 609 I HA -0.317 3.853 4.170 0.001 0.000 0.245 609 I C 2.255 178.420 176.117 0.079 0.000 1.100 609 I CA 1.582 62.896 61.300 0.024 0.000 1.374 609 I CB -0.377 37.444 38.000 -0.298 0.000 1.057 609 I HN 0.146 nan 8.210 nan 0.000 0.413 610 K N 0.419 120.829 120.400 0.017 0.000 2.147 610 K HA -0.208 4.112 4.320 0.001 0.000 0.205 610 K C 1.988 178.620 176.600 0.052 0.000 1.049 610 K CA 1.244 57.601 56.287 0.117 0.000 0.936 610 K CB -0.126 32.419 32.500 0.076 0.000 0.722 610 K HN 0.411 nan 8.250 nan 0.000 0.446 611 Q N -0.210 119.552 119.800 -0.062 0.000 2.435 611 Q HA 0.038 4.378 4.340 0.001 0.000 0.207 611 Q C 0.909 176.784 176.000 -0.208 0.000 0.956 611 Q CA 0.605 56.330 55.803 -0.130 0.000 0.917 611 Q CB 0.383 29.025 28.738 -0.159 0.000 0.997 611 Q HN 0.264 nan 8.270 nan 0.000 0.497 612 N N -1.368 117.185 118.700 -0.245 0.000 2.075 612 N HA 0.137 4.878 4.740 0.001 0.000 0.226 612 N C -1.011 174.085 175.510 -0.690 0.000 1.343 612 N CA 0.208 52.972 53.050 -0.477 0.000 0.881 612 N CB 1.116 39.161 38.487 -0.737 0.000 1.100 612 N HN 0.000 nan 8.380 nan 0.000 0.495 613 F N 0.815 120.788 119.950 0.037 0.000 2.556 613 F HA 0.359 4.887 4.527 0.001 0.000 0.314 613 F C 0.157 176.072 175.800 0.192 0.000 1.106 613 F CA -0.600 57.485 58.000 0.141 0.000 0.911 613 F CB 1.889 41.002 39.000 0.188 0.000 1.190 613 F HN -0.382 nan 8.300 nan 0.000 0.448 614 T N 4.395 119.096 114.554 0.244 0.000 2.767 614 T HA 0.394 4.745 4.350 0.001 0.000 0.288 614 T C -2.456 172.246 174.700 0.004 0.000 0.963 614 T CA -1.315 60.827 62.100 0.070 0.000 1.019 614 T CB 0.931 69.813 68.868 0.024 0.000 0.923 614 T HN 0.143 nan 8.240 nan 0.000 0.468 615 P HA 0.180 nan 4.420 nan 0.000 0.272 615 P C -0.101 177.129 177.300 -0.117 0.000 1.223 615 P CA -0.574 62.296 63.100 -0.384 0.000 0.784 615 P CB 0.322 31.596 31.700 -0.710 0.000 0.923 616 S N 1.997 117.677 115.700 -0.034 0.000 2.572 616 S HA 0.291 4.761 4.470 0.001 0.000 0.279 616 S C -2.208 172.388 174.600 -0.007 0.000 1.341 616 S CA -0.968 57.227 58.200 -0.008 0.000 1.043 616 S CB -0.873 62.327 63.200 0.001 0.000 0.887 616 S HN 0.260 nan 8.310 nan 0.000 0.516 617 P HA 0.185 nan 4.420 nan 0.000 0.268 617 P C -0.291 177.050 177.300 0.069 0.000 1.204 617 P CA -0.349 62.772 63.100 0.035 0.000 0.768 617 P CB 0.162 31.877 31.700 0.024 0.000 0.842 618 F N 0.000 119.933 119.950 -0.028 0.000 2.286 618 F HA 0.000 4.527 4.527 0.001 0.000 0.279 618 F CA 0.000 57.990 58.000 -0.017 0.000 1.383 618 F CB 0.000 38.992 39.000 -0.013 0.000 1.145 618 F HN 0.000 nan 8.300 nan 0.000 0.574