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 1t6p_1_C DATA FIRST_RESID 27 DATA SEQUENCE STNLAVAGXX XXTTQVTQVD IVEKXLAAPT DSTLELDGYS LNLGDVVSAA DATA SEQUENCE RKGRPVRVKD SDEIRSKIDK SVEFLRSQXX XXXXXXXXXX XXXXXXXXXD DATA SEQUENCE AISLQKALLE HQLCGVLPSS FDSFRLGRGL ENSLPLEVVR GAXTIRVNSL DATA SEQUENCE TRGHSAVRLV VLEALTNFLN HGITPIVPLR GTISXXXDLS PLSYIAAAIS DATA SEQUENCE GHPDSKVHVV HEGKEKILYA REAXALFNLE PVVLGPKEGL GLVNGTAVSA DATA SEQUENCE SXATLALHDA HXLSLLSQSL TAXTVEAXVG HAGSFHPFLH DVTRPHPTQI DATA SEQUENCE EVAGNIRKLL EGSRFAVHHX XXXXXXXXXX XXRQDRYPLR TSPQWLGPLV DATA SEQUENCE SDLIHAHAVL TIEAGQSTTD NPLIDVENKT SHHGGNFQAA AVANTXEKTR DATA SEQUENCE LGLAQIGKLN FTQLTEXLNA GXNRGLPSCL AAEDPSLSYH CKGLDIAAAA DATA SEQUENCE YTSELGHLAN PVTTHVQPAE XANQAVNSLA LISARRTTES NDVLSLLLAT DATA SEQUENCE HLYCVLQAID LRAIEFEFKK QFGPAIVSLI DQHFGSAXTG SNLRDELVEK DATA SEQUENCE VNKTLAKRLE QTNSYDLVPR WHDAFSFAAG TVVEVLSSTS LSLAAVNAWK DATA SEQUENCE VAAAESAISL TRQVRETFWS AASTSSPALS YLSPRTQILY AFVREELGVK DATA SEQUENCE ARRGDVFLGK QEVTIGSNVS KIYEAIKSGR INNVLLKXLA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 27 S HA 0.000 nan 4.470 nan 0.000 0.327 27 S C 0.000 174.615 174.600 0.025 0.000 1.055 27 S CA 0.000 58.219 58.200 0.032 0.000 1.107 27 S CB 0.000 63.224 63.200 0.040 0.000 0.593 28 T N 2.551 117.116 114.554 0.018 0.000 3.088 28 T HA 0.142 4.492 4.350 0.000 0.000 0.259 28 T C 0.502 175.207 174.700 0.010 0.000 1.122 28 T CA 0.412 62.520 62.100 0.013 0.000 1.095 28 T CB -0.359 68.514 68.868 0.009 0.000 0.930 28 T HN 0.276 nan 8.240 nan 0.000 0.508 29 N N 1.642 120.349 118.700 0.011 0.000 2.452 29 N HA 0.115 4.855 4.740 0.000 0.000 0.266 29 N C 0.887 176.400 175.510 0.006 0.000 1.175 29 N CA -0.037 53.016 53.050 0.006 0.000 0.945 29 N CB 0.246 38.736 38.487 0.005 0.000 1.063 29 N HN 0.159 nan 8.380 nan 0.000 0.472 30 L N 2.296 123.518 121.223 -0.001 0.000 2.450 30 L HA -0.087 4.253 4.340 0.000 0.000 0.224 30 L C 1.703 178.561 176.870 -0.021 0.000 1.149 30 L CA 0.718 55.555 54.840 -0.005 0.000 0.816 30 L CB -0.301 41.753 42.059 -0.009 0.000 0.932 30 L HN 0.643 nan 8.230 nan 0.000 0.449 31 A N -1.269 121.535 122.820 -0.027 0.000 2.238 31 A HA 0.061 4.381 4.320 0.000 0.000 0.210 31 A C 1.926 179.484 177.584 -0.044 0.000 1.179 31 A CA 0.614 52.618 52.037 -0.055 0.000 0.827 31 A CB 0.199 19.169 19.000 -0.049 0.000 0.856 31 A HN 0.205 nan 8.150 nan 0.000 0.488 32 V N -2.232 117.686 119.914 0.007 0.000 3.604 32 V HA 0.553 4.673 4.120 0.000 0.000 0.277 32 V C 0.964 177.128 176.094 0.116 0.000 1.399 32 V CA 1.046 63.380 62.300 0.057 0.000 1.034 32 V CB 0.735 32.584 31.823 0.043 0.000 0.824 32 V HN 0.492 nan 8.190 nan 0.000 0.439 33 A N -0.091 122.783 122.820 0.090 0.000 2.959 33 A HA 0.723 5.043 4.320 0.000 0.000 0.280 33 A C 0.847 178.498 177.584 0.113 0.000 0.953 33 A CA 0.388 52.488 52.037 0.105 0.000 1.047 33 A CB -0.512 18.517 19.000 0.049 0.000 1.147 33 A HN 1.439 nan 8.150 nan 0.000 0.489 40 T N -0.142 114.421 114.554 0.016 0.000 3.160 40 T HA -0.016 4.334 4.350 0.000 0.000 0.257 40 T C 1.167 175.870 174.700 0.004 0.000 1.147 40 T CA 0.424 62.531 62.100 0.012 0.000 1.064 40 T CB -0.008 68.867 68.868 0.012 0.000 0.949 40 T HN 0.453 nan 8.240 nan 0.000 0.526 41 Q N 0.798 120.600 119.800 0.003 0.000 2.329 41 Q HA 0.365 4.705 4.340 0.000 0.000 0.208 41 Q C -0.089 175.906 176.000 -0.009 0.000 0.934 41 Q CA 0.032 55.834 55.803 -0.002 0.000 0.951 41 Q CB 0.195 28.933 28.738 -0.001 0.000 1.017 41 Q HN 0.498 nan 8.270 nan 0.000 0.490 42 V N -0.239 119.667 119.914 -0.012 0.000 2.915 42 V HA 0.245 4.365 4.120 0.000 0.000 0.273 42 V C -0.943 175.132 176.094 -0.031 0.000 1.538 42 V CA -0.261 62.024 62.300 -0.026 0.000 0.946 42 V CB 1.992 33.797 31.823 -0.030 0.000 1.183 42 V HN 0.334 nan 8.190 nan 0.000 0.446 43 T N 1.949 116.475 114.554 -0.047 0.000 2.927 43 T HA 0.427 4.777 4.350 0.000 0.000 0.286 43 T C 0.688 175.334 174.700 -0.091 0.000 1.040 43 T CA 0.275 62.346 62.100 -0.049 0.000 1.010 43 T CB 1.901 70.745 68.868 -0.039 0.000 1.177 43 T HN 0.793 nan 8.240 nan 0.000 0.546 44 Q N -0.372 119.379 119.800 -0.082 0.000 2.224 44 Q HA -0.040 4.300 4.340 0.000 0.000 0.203 44 Q C 1.984 177.879 176.000 -0.175 0.000 0.970 44 Q CA 1.093 56.813 55.803 -0.139 0.000 0.865 44 Q CB -0.290 28.425 28.738 -0.039 0.000 0.922 44 Q HN 0.650 nan 8.270 nan 0.000 0.445 45 V N 1.357 121.204 119.914 -0.111 0.000 2.270 45 V HA -0.266 3.854 4.120 0.000 0.000 0.245 45 V C 1.749 177.772 176.094 -0.119 0.000 1.043 45 V CA 2.031 64.270 62.300 -0.103 0.000 1.014 45 V CB -0.600 31.183 31.823 -0.068 0.000 0.645 45 V HN 0.400 nan 8.190 nan 0.000 0.447 46 D N 0.314 120.649 120.400 -0.108 0.000 2.106 46 D HA -0.196 4.445 4.640 0.000 0.000 0.191 46 D C 2.086 178.300 176.300 -0.143 0.000 0.997 46 D CA 1.774 55.712 54.000 -0.102 0.000 0.834 46 D CB -0.311 40.438 40.800 -0.085 0.000 0.956 46 D HN 0.408 nan 8.370 nan 0.000 0.448 47 I N 0.705 121.140 120.570 -0.224 0.000 2.163 47 I HA -0.245 3.925 4.170 0.000 0.000 0.243 47 I C 2.499 178.431 176.117 -0.309 0.000 1.085 47 I CA 0.759 61.850 61.300 -0.348 0.000 1.347 47 I CB -0.245 37.379 38.000 -0.626 0.000 1.044 47 I HN -0.102 nan 8.210 nan 0.000 0.408 48 V N 0.436 120.169 119.914 -0.302 0.000 2.515 48 V HA -0.250 3.870 4.120 0.000 0.000 0.250 48 V C 2.433 178.460 176.094 -0.111 0.000 1.058 48 V CA 1.776 63.948 62.300 -0.214 0.000 1.064 48 V CB -0.610 31.097 31.823 -0.193 0.000 0.675 48 V HN 0.462 nan 8.190 nan 0.000 0.461 49 E N 0.190 120.331 120.200 -0.099 0.000 2.072 49 E HA -0.164 4.186 4.350 0.000 0.000 0.191 49 E C 1.591 178.169 176.600 -0.037 0.000 0.985 49 E CA 0.646 57.011 56.400 -0.060 0.000 0.801 49 E CB 0.117 29.783 29.700 -0.057 0.000 0.750 49 E HN 0.280 nan 8.360 nan 0.000 0.452 53 A N 0.826 123.659 122.820 0.023 0.000 2.307 53 A HA 0.645 4.965 4.320 0.000 0.000 0.218 53 A C 1.070 178.666 177.584 0.020 0.000 1.228 53 A CA 0.580 52.626 52.037 0.015 0.000 0.857 53 A CB -0.212 18.792 19.000 0.007 0.000 0.897 53 A HN 0.242 nan 8.150 nan 0.000 0.495 54 A N 1.262 124.099 122.820 0.028 0.000 2.450 54 A HA 0.547 4.867 4.320 0.000 0.000 0.255 54 A C -2.338 175.258 177.584 0.020 0.000 1.096 54 A CA -1.021 51.032 52.037 0.025 0.000 0.778 54 A CB -0.319 18.699 19.000 0.029 0.000 1.031 54 A HN 0.262 nan 8.150 nan 0.000 0.494 55 P HA 0.227 nan 4.420 nan 0.000 0.271 55 P C 0.734 178.043 177.300 0.015 0.000 1.218 55 P CA 0.193 63.302 63.100 0.015 0.000 0.780 55 P CB 0.809 32.518 31.700 0.014 0.000 0.901 56 T N -3.719 110.844 114.554 0.015 0.000 3.043 56 T HA 0.196 4.546 4.350 0.000 0.000 0.272 56 T C 0.387 175.097 174.700 0.018 0.000 0.990 56 T CA 0.061 62.170 62.100 0.015 0.000 0.897 56 T CB -0.187 68.690 68.868 0.015 0.000 1.111 56 T HN 0.067 nan 8.240 nan 0.000 0.529 57 D N 2.457 122.868 120.400 0.017 0.000 2.735 57 D HA 0.156 4.797 4.640 0.000 0.000 0.267 57 D C 1.145 177.456 176.300 0.019 0.000 1.081 57 D CA 0.743 54.755 54.000 0.019 0.000 0.980 57 D CB -0.063 40.748 40.800 0.017 0.000 1.129 57 D HN 0.475 nan 8.370 nan 0.000 0.459 58 S N 0.206 115.915 115.700 0.016 0.000 2.568 58 S HA 0.150 4.620 4.470 0.000 0.000 0.282 58 S C 0.366 174.975 174.600 0.016 0.000 1.338 58 S CA -0.437 57.773 58.200 0.016 0.000 1.045 58 S CB 0.671 63.880 63.200 0.014 0.000 0.873 58 S HN 0.032 nan 8.310 nan 0.000 0.516 59 T N 3.198 117.762 114.554 0.016 0.000 2.919 59 T HA 0.252 4.602 4.350 0.000 0.000 0.302 59 T C -0.094 174.614 174.700 0.012 0.000 1.031 59 T CA -0.264 61.845 62.100 0.015 0.000 1.127 59 T CB 0.270 69.147 68.868 0.015 0.000 0.952 59 T HN 0.607 nan 8.240 nan 0.000 0.540 60 L N 3.948 125.178 121.223 0.011 0.000 2.265 60 L HA 0.330 4.670 4.340 0.000 0.000 0.288 60 L C -0.036 176.839 176.870 0.009 0.000 1.058 60 L CA 0.007 54.853 54.840 0.010 0.000 0.809 60 L CB 0.397 42.461 42.059 0.008 0.000 1.179 60 L HN 0.578 nan 8.230 nan 0.000 0.429 61 E N 5.956 126.162 120.200 0.010 0.000 2.081 61 E HA 0.249 4.599 4.350 0.000 0.000 0.281 61 E C -1.034 175.573 176.600 0.012 0.000 0.986 61 E CA -0.942 55.464 56.400 0.009 0.000 0.796 61 E CB 1.192 30.897 29.700 0.009 0.000 1.085 61 E HN 0.355 nan 8.360 nan 0.000 0.398 62 L N 4.660 125.889 121.223 0.010 0.000 2.369 62 L HA 0.035 4.375 4.340 0.000 0.000 0.279 62 L C 1.185 178.069 176.870 0.022 0.000 1.108 62 L CA 0.419 55.267 54.840 0.013 0.000 0.852 62 L CB 0.149 42.210 42.059 0.004 0.000 1.169 62 L HN 0.616 nan 8.230 nan 0.000 0.452 63 D N 0.891 121.316 120.400 0.042 0.000 2.441 63 D HA 0.107 4.747 4.640 0.000 0.000 0.210 63 D C 1.110 177.494 176.300 0.140 0.000 1.102 63 D CA 0.733 54.771 54.000 0.063 0.000 0.840 63 D CB 0.933 41.764 40.800 0.051 0.000 0.990 63 D HN 0.667 nan 8.370 nan 0.000 0.505 64 G N 0.523 109.394 108.800 0.120 0.000 2.175 64 G HA2 -0.320 3.640 3.960 0.000 0.000 0.244 64 G HA3 -0.320 3.640 3.960 0.000 0.000 0.244 64 G C 0.307 175.242 174.900 0.059 0.000 0.982 64 G CA 0.483 45.645 45.100 0.103 0.000 0.641 64 G HN 0.376 nan 8.290 nan 0.000 0.527 65 Y N -0.542 119.742 120.300 -0.027 0.000 2.648 65 Y HA 0.377 4.927 4.550 0.000 0.000 0.270 65 Y C 2.080 177.971 175.900 -0.014 0.000 1.043 65 Y CA 0.564 58.653 58.100 -0.020 0.000 1.238 65 Y CB 0.331 38.779 38.460 -0.019 0.000 1.385 65 Y HN 0.216 nan 8.280 nan 0.000 0.569 66 S N -0.181 115.595 115.700 0.126 0.000 2.497 66 S HA 0.105 4.575 4.470 0.000 0.000 0.221 66 S C 0.396 175.019 174.600 0.039 0.000 1.037 66 S CA -0.246 57.997 58.200 0.072 0.000 0.920 66 S CB 0.136 63.370 63.200 0.057 0.000 0.800 66 S HN 0.159 nan 8.310 nan 0.000 0.505 67 L N 4.638 125.876 121.223 0.026 0.000 2.640 67 L HA 0.063 4.403 4.340 0.000 0.000 0.280 67 L C -0.034 176.838 176.870 0.003 0.000 1.229 67 L CA 0.168 55.014 54.840 0.009 0.000 0.919 67 L CB -0.260 41.796 42.059 -0.005 0.000 1.168 67 L HN 0.336 nan 8.230 nan 0.000 0.496 68 N N 3.487 122.193 118.700 0.009 0.000 2.592 68 N HA 0.381 5.122 4.740 0.000 0.000 0.292 68 N C 0.593 176.105 175.510 0.003 0.000 1.260 68 N CA -0.788 52.269 53.050 0.011 0.000 0.910 68 N CB 0.318 38.828 38.487 0.040 0.000 1.257 68 N HN 0.460 nan 8.380 nan 0.000 0.569 69 L N -0.990 120.233 121.223 -0.001 0.000 2.093 69 L HA 0.028 4.368 4.340 0.000 0.000 0.208 69 L C 2.296 179.196 176.870 0.050 0.000 1.085 69 L CA 1.626 56.464 54.840 -0.004 0.000 0.755 69 L CB -1.026 40.991 42.059 -0.070 0.000 0.904 69 L HN 0.859 nan 8.230 nan 0.000 0.435 70 G N 0.187 109.038 108.800 0.086 0.000 2.446 70 G HA2 -0.262 3.698 3.960 0.000 0.000 0.217 70 G HA3 -0.262 3.698 3.960 0.000 0.000 0.217 70 G C 1.110 176.026 174.900 0.027 0.000 1.168 70 G CA 0.919 46.067 45.100 0.080 0.000 0.771 70 G HN 0.307 nan 8.290 nan 0.000 0.551 71 D N 0.357 120.769 120.400 0.021 0.000 2.133 71 D HA -0.123 4.517 4.640 0.000 0.000 0.195 71 D C 2.744 179.039 176.300 -0.009 0.000 0.997 71 D CA 1.009 55.013 54.000 0.007 0.000 0.840 71 D CB -0.678 40.127 40.800 0.009 0.000 0.947 71 D HN 0.214 nan 8.370 nan 0.000 0.452 72 V N 0.887 120.792 119.914 -0.015 0.000 2.287 72 V HA -0.228 3.892 4.120 0.000 0.000 0.248 72 V C 2.712 178.777 176.094 -0.048 0.000 1.053 72 V CA 1.187 63.470 62.300 -0.028 0.000 1.027 72 V CB -0.512 31.293 31.823 -0.030 0.000 0.646 72 V HN 0.064 nan 8.190 nan 0.000 0.447 73 V N 1.100 120.969 119.914 -0.075 0.000 2.295 73 V HA -0.258 3.862 4.120 0.000 0.000 0.246 73 V C 2.705 178.738 176.094 -0.102 0.000 1.049 73 V CA 2.308 64.520 62.300 -0.147 0.000 1.024 73 V CB -1.160 30.474 31.823 -0.314 0.000 0.648 73 V HN 0.763 nan 8.190 nan 0.000 0.447 74 S N 1.507 117.171 115.700 -0.061 0.000 2.370 74 S HA -0.208 4.262 4.470 0.000 0.000 0.226 74 S C 2.081 176.668 174.600 -0.021 0.000 1.033 74 S CA 1.538 59.719 58.200 -0.031 0.000 1.011 74 S CB -0.688 62.506 63.200 -0.009 0.000 0.852 74 S HN 0.622 nan 8.310 nan 0.000 0.457 75 A N 1.790 124.599 122.820 -0.018 0.000 1.929 75 A HA 0.472 4.792 4.320 0.000 0.000 0.216 75 A C 2.473 180.050 177.584 -0.011 0.000 1.176 75 A CA 1.429 53.461 52.037 -0.008 0.000 0.628 75 A CB -1.252 17.745 19.000 -0.006 0.000 0.816 75 A HN 0.804 nan 8.150 nan 0.000 0.444 76 A N -0.423 122.381 122.820 -0.026 0.000 1.872 76 A HA -0.020 4.300 4.320 0.000 0.000 0.214 76 A C 2.278 179.845 177.584 -0.027 0.000 1.187 76 A CA 1.412 53.433 52.037 -0.027 0.000 0.614 76 A CB -0.265 18.709 19.000 -0.042 0.000 0.826 76 A HN 0.483 nan 8.150 nan 0.000 0.442 77 R N -1.106 119.369 120.500 -0.041 0.000 2.146 77 R HA 0.102 4.442 4.340 0.000 0.000 0.206 77 R C 0.972 177.264 176.300 -0.014 0.000 1.049 77 R CA 0.533 56.613 56.100 -0.033 0.000 1.029 77 R CB 0.097 30.364 30.300 -0.056 0.000 0.949 77 R HN 0.157 nan 8.270 nan 0.000 0.471 78 K N -0.009 120.382 120.400 -0.014 0.000 2.417 78 K HA 0.195 4.515 4.320 0.000 0.000 0.196 78 K C 0.971 177.579 176.600 0.013 0.000 1.023 78 K CA 0.676 56.964 56.287 0.002 0.000 1.122 78 K CB 0.670 33.171 32.500 0.000 0.000 0.850 78 K HN 0.378 nan 8.250 nan 0.000 0.521 79 G N 2.312 111.121 108.800 0.015 0.000 2.196 79 G HA2 -0.394 3.566 3.960 0.000 0.000 0.268 79 G HA3 -0.394 3.566 3.960 0.000 0.000 0.268 79 G C 0.313 175.229 174.900 0.026 0.000 0.975 79 G CA 0.613 45.728 45.100 0.026 0.000 0.648 79 G HN 0.450 nan 8.290 nan 0.000 0.538 80 R N 1.388 121.899 120.500 0.018 0.000 2.526 80 R HA 0.164 4.504 4.340 0.000 0.000 0.319 80 R C -1.951 174.360 176.300 0.019 0.000 0.888 80 R CA -0.542 55.569 56.100 0.018 0.000 1.127 80 R CB 0.008 30.315 30.300 0.011 0.000 0.888 80 R HN 0.162 nan 8.270 nan 0.000 0.410 81 P HA -0.109 nan 4.420 nan 0.000 0.265 81 P C -0.970 176.339 177.300 0.015 0.000 1.187 81 P CA 0.063 63.177 63.100 0.024 0.000 0.766 81 P CB 0.690 32.407 31.700 0.029 0.000 0.820 82 V N 0.795 120.715 119.914 0.010 0.000 3.040 82 V HA 0.940 5.060 4.120 0.000 0.000 0.312 82 V C -0.592 175.503 176.094 0.000 0.000 1.115 82 V CA -1.104 61.199 62.300 0.005 0.000 0.998 82 V CB 2.447 34.272 31.823 0.003 0.000 1.042 82 V HN 0.748 nan 8.190 nan 0.000 0.433 83 R N 0.989 121.488 120.500 -0.000 0.000 2.739 83 R HA 0.671 5.011 4.340 0.000 0.000 0.266 83 R C -1.713 174.586 176.300 -0.001 0.000 1.044 83 R CA -0.685 55.413 56.100 -0.003 0.000 0.885 83 R CB 1.731 32.030 30.300 -0.001 0.000 1.260 83 R HN 1.225 nan 8.270 nan 0.000 0.477 84 V N 2.305 122.217 119.914 -0.004 0.000 2.470 84 V HA 0.152 4.272 4.120 0.000 0.000 0.276 84 V C 0.296 176.391 176.094 0.001 0.000 1.040 84 V CA -0.130 62.169 62.300 -0.002 0.000 1.008 84 V CB 0.633 32.453 31.823 -0.005 0.000 0.990 84 V HN 0.801 nan 8.190 nan 0.000 0.477 85 K N 5.442 125.844 120.400 0.004 0.000 2.404 85 K HA -0.096 4.224 4.320 0.000 0.000 0.271 85 K C 0.087 176.687 176.600 0.001 0.000 1.130 85 K CA 0.198 56.487 56.287 0.003 0.000 1.181 85 K CB -0.050 32.453 32.500 0.005 0.000 0.840 85 K HN 0.882 nan 8.250 nan 0.000 0.483 86 D N 3.231 123.632 120.400 0.001 0.000 2.346 86 D HA -0.017 4.623 4.640 0.000 0.000 0.260 86 D C 0.017 176.316 176.300 -0.002 0.000 1.252 86 D CA 0.270 54.270 54.000 0.000 0.000 0.895 86 D CB 0.460 41.262 40.800 0.002 0.000 1.097 86 D HN 0.576 nan 8.370 nan 0.000 0.489 87 S N 1.513 117.210 115.700 -0.004 0.000 2.874 87 S HA 0.114 4.584 4.470 0.000 0.000 0.257 87 S C 0.607 175.201 174.600 -0.009 0.000 0.975 87 S CA 0.235 58.430 58.200 -0.008 0.000 1.326 87 S CB 0.279 63.472 63.200 -0.012 0.000 1.215 87 S HN 0.381 nan 8.310 nan 0.000 0.679 88 D N 2.170 122.566 120.400 -0.007 0.000 3.958 88 D HA -0.310 4.330 4.640 0.000 0.000 0.210 88 D C 1.054 177.348 176.300 -0.011 0.000 1.329 88 D CA 2.136 56.132 54.000 -0.007 0.000 2.355 88 D CB -1.390 39.406 40.800 -0.006 0.000 1.233 88 D HN 0.574 nan 8.370 nan 0.000 0.407 89 E N 0.201 120.391 120.200 -0.017 0.000 2.114 89 E HA -0.250 4.100 4.350 0.000 0.000 0.199 89 E C 1.947 178.533 176.600 -0.024 0.000 1.008 89 E CA 1.818 58.203 56.400 -0.024 0.000 0.810 89 E CB -0.013 29.666 29.700 -0.036 0.000 0.739 89 E HN 0.428 nan 8.360 nan 0.000 0.456 90 I N 0.714 121.272 120.570 -0.020 0.000 2.193 90 I HA -0.190 3.980 4.170 0.000 0.000 0.240 90 I C 2.711 178.822 176.117 -0.011 0.000 1.084 90 I CA 1.235 62.525 61.300 -0.016 0.000 1.365 90 I CB -1.453 36.541 38.000 -0.010 0.000 1.064 90 I HN 0.167 nan 8.210 nan 0.000 0.410 91 R N 0.645 121.141 120.500 -0.007 0.000 2.117 91 R HA -0.193 4.147 4.340 0.000 0.000 0.243 91 R C 2.609 178.909 176.300 -0.000 0.000 1.143 91 R CA 1.923 58.021 56.100 -0.003 0.000 0.968 91 R CB -0.158 30.142 30.300 -0.001 0.000 0.863 91 R HN 0.300 nan 8.270 nan 0.000 0.444 92 S N 0.207 115.906 115.700 -0.002 0.000 2.348 92 S HA -0.150 4.320 4.470 0.000 0.000 0.221 92 S C 1.666 176.267 174.600 0.003 0.000 1.033 92 S CA 1.499 59.700 58.200 0.001 0.000 1.010 92 S CB -0.064 63.134 63.200 -0.003 0.000 0.891 92 S HN 0.388 nan 8.310 nan 0.000 0.442 93 K N 0.423 120.820 120.400 -0.006 0.000 2.103 93 K HA -0.036 4.284 4.320 0.000 0.000 0.207 93 K C 2.054 178.653 176.600 -0.002 0.000 1.048 93 K CA 1.601 57.883 56.287 -0.007 0.000 0.930 93 K CB -0.360 32.127 32.500 -0.023 0.000 0.716 93 K HN 0.473 nan 8.250 nan 0.000 0.444 94 I N 1.336 121.904 120.570 -0.002 0.000 2.252 94 I HA -0.256 3.914 4.170 0.000 0.000 0.245 94 I C 1.629 177.757 176.117 0.020 0.000 1.102 94 I CA 1.151 62.453 61.300 0.004 0.000 1.385 94 I CB -0.281 37.718 38.000 -0.001 0.000 1.064 94 I HN 0.129 nan 8.210 nan 0.000 0.414 95 D N 1.195 121.607 120.400 0.021 0.000 2.103 95 D HA -0.123 4.517 4.640 0.000 0.000 0.199 95 D C 2.097 178.426 176.300 0.047 0.000 0.978 95 D CA 1.106 55.124 54.000 0.030 0.000 0.829 95 D CB -0.241 40.574 40.800 0.024 0.000 0.981 95 D HN 0.263 nan 8.370 nan 0.000 0.464 96 K N 0.582 121.009 120.400 0.044 0.000 2.281 96 K HA -0.075 4.245 4.320 0.000 0.000 0.203 96 K C 2.146 178.802 176.600 0.094 0.000 1.046 96 K CA 0.728 57.052 56.287 0.063 0.000 0.938 96 K CB -0.030 32.494 32.500 0.039 0.000 0.737 96 K HN -0.056 nan 8.250 nan 0.000 0.458 97 S N 0.331 116.076 115.700 0.074 0.000 2.362 97 S HA -0.065 4.405 4.470 0.000 0.000 0.221 97 S C 1.985 176.676 174.600 0.152 0.000 1.032 97 S CA 0.649 58.906 58.200 0.095 0.000 0.973 97 S CB -0.020 63.215 63.200 0.058 0.000 0.849 97 S HN 0.054 nan 8.310 nan 0.000 0.465 98 V N 2.689 122.664 119.914 0.101 0.000 2.343 98 V HA -0.103 4.017 4.120 0.000 0.000 0.247 98 V C 2.681 178.832 176.094 0.095 0.000 1.051 98 V CA 1.792 64.145 62.300 0.088 0.000 1.036 98 V CB -0.689 31.166 31.823 0.053 0.000 0.654 98 V HN 0.445 nan 8.190 nan 0.000 0.451 99 E N -0.330 119.930 120.200 0.099 0.000 2.077 99 E HA -0.220 4.130 4.350 0.000 0.000 0.193 99 E C 2.022 178.686 176.600 0.107 0.000 0.989 99 E CA 1.316 57.767 56.400 0.085 0.000 0.800 99 E CB -0.470 29.278 29.700 0.080 0.000 0.746 99 E HN 0.626 nan 8.360 nan 0.000 0.452 100 F N 1.447 121.407 119.950 0.017 0.000 2.154 100 F HA -0.210 4.317 4.527 0.000 0.000 0.301 100 F C 2.165 177.974 175.800 0.015 0.000 1.087 100 F CA 1.207 59.218 58.000 0.017 0.000 1.274 100 F CB -0.169 38.845 39.000 0.024 0.000 1.009 100 F HN -0.039 nan 8.300 nan 0.000 0.485 101 L N -0.272 120.989 121.223 0.064 0.000 2.072 101 L HA -0.162 4.178 4.340 0.000 0.000 0.205 101 L C 2.766 179.587 176.870 -0.082 0.000 1.079 101 L CA 1.223 56.043 54.840 -0.033 0.000 0.752 101 L CB -0.566 41.534 42.059 0.068 0.000 0.906 101 L HN 0.098 nan 8.230 nan 0.000 0.436 102 R N 0.411 120.890 120.500 -0.035 0.000 2.133 102 R HA -0.199 4.141 4.340 0.000 0.000 0.245 102 R C 1.410 177.666 176.300 -0.074 0.000 1.137 102 R CA 1.937 58.015 56.100 -0.037 0.000 0.947 102 R CB -0.315 29.976 30.300 -0.014 0.000 0.865 102 R HN 0.413 nan 8.270 nan 0.000 0.437 103 S N 1.730 117.362 115.700 -0.113 0.000 3.811 103 S HA 0.096 4.566 4.470 0.000 0.000 0.205 103 S C -0.245 174.222 174.600 -0.221 0.000 1.445 103 S CA -0.743 57.373 58.200 -0.139 0.000 1.097 103 S CB 0.176 63.300 63.200 -0.127 0.000 1.350 103 S HN 0.213 nan 8.310 nan 0.000 0.471 127 A N 0.800 123.621 122.820 0.001 0.000 1.898 127 A HA 0.175 4.495 4.320 0.000 0.000 0.214 127 A C 2.277 179.865 177.584 0.006 0.000 1.183 127 A CA 1.184 53.224 52.037 0.004 0.000 0.622 127 A CB -0.468 18.533 19.000 0.002 0.000 0.824 127 A HN 0.359 nan 8.150 nan 0.000 0.444 128 I N 0.472 121.044 120.570 0.004 0.000 2.617 128 I HA -0.087 4.083 4.170 0.000 0.000 0.256 128 I C 2.172 178.293 176.117 0.006 0.000 1.167 128 I CA 1.196 62.498 61.300 0.004 0.000 1.469 128 I CB -1.267 36.734 38.000 0.001 0.000 1.098 128 I HN 0.191 nan 8.210 nan 0.000 0.436 129 S N 0.906 116.609 115.700 0.005 0.000 2.402 129 S HA -0.051 4.419 4.470 0.000 0.000 0.229 129 S C 2.037 176.645 174.600 0.013 0.000 1.021 129 S CA 0.718 58.922 58.200 0.007 0.000 0.974 129 S CB -0.145 63.057 63.200 0.004 0.000 0.800 129 S HN 0.401 nan 8.310 nan 0.000 0.484 130 L N 1.483 122.714 121.223 0.014 0.000 2.109 130 L HA -0.096 4.244 4.340 0.000 0.000 0.207 130 L C 2.453 179.340 176.870 0.029 0.000 1.086 130 L CA 1.137 55.989 54.840 0.020 0.000 0.760 130 L CB -0.372 41.697 42.059 0.017 0.000 0.910 130 L HN 0.318 nan 8.230 nan 0.000 0.437 131 Q N 0.394 120.207 119.800 0.023 0.000 2.050 131 Q HA -0.249 4.091 4.340 0.000 0.000 0.202 131 Q C 2.017 178.032 176.000 0.026 0.000 0.980 131 Q CA 1.591 57.407 55.803 0.021 0.000 0.840 131 Q CB -0.338 28.408 28.738 0.013 0.000 0.898 131 Q HN 0.521 nan 8.270 nan 0.000 0.424 132 K N 0.504 120.919 120.400 0.025 0.000 2.280 132 K HA -0.019 4.301 4.320 0.000 0.000 0.202 132 K C 1.992 178.620 176.600 0.048 0.000 1.047 132 K CA 0.949 57.255 56.287 0.032 0.000 0.942 132 K CB -0.054 32.457 32.500 0.019 0.000 0.739 132 K HN 0.144 nan 8.250 nan 0.000 0.457 133 A N 0.995 123.846 122.820 0.053 0.000 1.930 133 A HA -0.058 4.262 4.320 0.000 0.000 0.215 133 A C 2.018 179.696 177.584 0.156 0.000 1.176 133 A CA 0.645 52.728 52.037 0.077 0.000 0.632 133 A CB -0.260 18.769 19.000 0.049 0.000 0.819 133 A HN 0.169 nan 8.150 nan 0.000 0.445 134 L N -0.773 120.526 121.223 0.126 0.000 2.027 134 L HA -0.042 4.298 4.340 0.000 0.000 0.206 134 L C 2.144 179.003 176.870 -0.019 0.000 1.074 134 L CA 1.560 56.483 54.840 0.139 0.000 0.745 134 L CB -0.508 41.591 42.059 0.067 0.000 0.898 134 L HN 0.279 nan 8.230 nan 0.000 0.433 135 L N -0.385 120.824 121.223 -0.025 0.000 2.141 135 L HA -0.161 4.179 4.340 0.000 0.000 0.209 135 L C 2.511 179.326 176.870 -0.093 0.000 1.094 135 L CA 1.499 56.284 54.840 -0.091 0.000 0.763 135 L CB -0.811 41.224 42.059 -0.039 0.000 0.908 135 L HN 0.431 nan 8.230 nan 0.000 0.437 136 E N -0.510 119.698 120.200 0.013 0.000 2.070 136 E HA -0.285 4.065 4.350 0.000 0.000 0.197 136 E C 1.979 178.605 176.600 0.043 0.000 1.004 136 E CA 1.698 58.126 56.400 0.046 0.000 0.805 136 E CB -0.149 29.605 29.700 0.089 0.000 0.744 136 E HN 0.735 nan 8.360 nan 0.000 0.451 137 H N -1.343 117.715 119.070 -0.019 0.000 2.551 137 H HA 0.105 4.661 4.556 0.000 0.000 0.266 137 H C 1.425 176.743 175.328 -0.017 0.000 0.964 137 H CA 0.315 56.355 56.048 -0.013 0.000 1.180 137 H CB 0.289 30.047 29.762 -0.007 0.000 1.408 137 H HN 0.142 nan 8.280 nan 0.000 0.563 138 Q N 0.651 120.169 119.800 -0.470 0.000 2.354 138 Q HA 0.090 4.430 4.340 0.000 0.000 0.203 138 Q C 0.697 176.586 176.000 -0.185 0.000 0.933 138 Q CA 0.060 55.647 55.803 -0.360 0.000 0.901 138 Q CB 0.255 28.765 28.738 -0.380 0.000 1.007 138 Q HN 0.299 nan 8.270 nan 0.000 0.495 139 L N 1.713 122.780 121.223 -0.260 0.000 2.533 139 L HA 0.025 4.366 4.340 0.000 0.000 0.239 139 L C 0.680 177.534 176.870 -0.027 0.000 1.376 139 L CA 0.193 54.806 54.840 -0.379 0.000 1.240 139 L CB -0.724 41.014 42.059 -0.535 0.000 1.487 139 L HN 0.218 nan 8.230 nan 0.000 0.419 140 C N -2.824 116.543 119.300 0.111 0.000 2.976 140 C HA 0.719 5.179 4.460 0.000 0.000 0.274 140 C C 1.057 176.130 174.990 0.137 0.000 1.487 140 C CA -0.706 58.381 59.018 0.114 0.000 1.789 140 C CB -0.851 26.931 27.740 0.071 0.000 2.771 140 C HN 0.515 nan 8.230 nan 0.000 0.551 141 G N 0.802 109.730 108.800 0.214 0.000 2.504 141 G HA2 0.542 4.502 3.960 0.000 0.000 0.288 141 G HA3 0.542 4.502 3.960 0.000 0.000 0.288 141 G C -0.649 174.265 174.900 0.022 0.000 1.182 141 G CA -0.203 44.929 45.100 0.053 0.000 0.894 141 G HN 0.313 nan 8.290 nan 0.000 0.521 142 V N 1.166 121.066 119.914 -0.022 0.000 2.465 142 V HA 0.488 4.608 4.120 0.000 0.000 0.279 142 V C -0.121 175.947 176.094 -0.044 0.000 1.045 142 V CA -0.378 61.913 62.300 -0.015 0.000 0.938 142 V CB 0.907 32.722 31.823 -0.013 0.000 0.986 142 V HN 0.461 nan 8.190 nan 0.000 0.467 143 L N 5.803 127.018 121.223 -0.014 0.000 2.389 143 L HA 0.742 5.082 4.340 0.000 0.000 0.249 143 L C -2.473 174.415 176.870 0.029 0.000 1.083 143 L CA -1.889 52.945 54.840 -0.010 0.000 0.876 143 L CB 1.862 43.917 42.059 -0.007 0.000 1.489 143 L HN 0.432 nan 8.230 nan 0.000 0.412 144 P HA 0.407 nan 4.420 nan 0.000 0.280 144 P C 0.124 177.496 177.300 0.120 0.000 1.244 144 P CA -0.228 62.936 63.100 0.107 0.000 0.784 144 P CB 1.000 32.826 31.700 0.211 0.000 0.913 145 S N 0.568 116.328 115.700 0.100 0.000 2.354 145 S HA -0.099 4.371 4.470 0.000 0.000 0.219 145 S C 1.154 175.814 174.600 0.099 0.000 1.035 145 S CA 1.808 60.062 58.200 0.090 0.000 1.037 145 S CB -0.312 62.933 63.200 0.076 0.000 0.956 145 S HN 0.765 nan 8.310 nan 0.000 0.428 146 S N -0.803 114.968 115.700 0.118 0.000 4.163 146 S HA 0.558 5.028 4.470 0.000 0.000 0.246 146 S C -0.195 174.477 174.600 0.121 0.000 1.069 146 S CA -0.630 57.635 58.200 0.108 0.000 1.544 146 S CB 0.157 63.417 63.200 0.100 0.000 1.166 146 S HN 0.249 nan 8.310 nan 0.000 0.747 147 F N 1.285 121.175 119.950 -0.100 0.000 2.764 147 F HA 0.460 4.987 4.527 0.000 0.000 0.310 147 F C -0.366 175.424 175.800 -0.015 0.000 1.124 147 F CA -0.487 57.359 58.000 -0.257 0.000 1.252 147 F CB 0.611 39.384 39.000 -0.378 0.000 1.010 147 F HN 0.334 nan 8.300 nan 0.000 0.518 148 D N -0.724 119.752 120.400 0.127 0.000 2.463 148 D HA 0.137 4.777 4.640 0.000 0.000 0.224 148 D C 1.359 177.705 176.300 0.075 0.000 1.174 148 D CA 0.487 54.547 54.000 0.100 0.000 0.829 148 D CB 0.826 41.682 40.800 0.094 0.000 0.993 148 D HN 0.131 nan 8.370 nan 0.000 0.497 149 S N -0.813 114.951 115.700 0.107 0.000 2.787 149 S HA 0.151 4.621 4.470 0.000 0.000 0.255 149 S C -0.126 174.485 174.600 0.018 0.000 1.051 149 S CA -0.469 57.771 58.200 0.066 0.000 1.124 149 S CB 0.015 63.258 63.200 0.071 0.000 1.104 149 S HN -0.043 nan 8.310 nan 0.000 0.623 150 F N 4.555 124.314 119.950 -0.318 0.000 2.515 150 F HA 0.473 5.000 4.527 0.000 0.000 0.353 150 F C 0.919 176.543 175.800 -0.293 0.000 1.213 150 F CA -0.680 57.064 58.000 -0.428 0.000 1.194 150 F CB 0.090 38.504 39.000 -0.977 0.000 1.488 150 F HN -0.069 nan 8.300 nan 0.000 0.619 151 R N 1.209 121.655 120.500 -0.091 0.000 2.649 151 R HA 0.244 4.585 4.340 0.000 0.000 0.270 151 R C -0.374 175.901 176.300 -0.042 0.000 1.105 151 R CA -1.308 54.762 56.100 -0.050 0.000 1.193 151 R CB 0.408 30.677 30.300 -0.052 0.000 1.120 151 R HN 0.369 nan 8.270 nan 0.000 0.561 152 L N 1.566 122.783 121.223 -0.011 0.000 2.615 152 L HA 0.090 4.430 4.340 0.000 0.000 0.271 152 L C 1.186 178.048 176.870 -0.013 0.000 1.183 152 L CA 1.844 56.687 54.840 0.005 0.000 0.933 152 L CB -0.329 41.739 42.059 0.014 0.000 1.199 152 L HN 0.943 nan 8.230 nan 0.000 0.487 153 G N 3.266 112.062 108.800 -0.007 0.000 2.184 153 G HA2 -0.237 3.723 3.960 0.000 0.000 0.264 153 G HA3 -0.237 3.723 3.960 0.000 0.000 0.264 153 G C 0.635 175.497 174.900 -0.064 0.000 0.975 153 G CA 0.471 45.559 45.100 -0.020 0.000 0.642 153 G HN 0.628 nan 8.290 nan 0.000 0.536 154 R N -1.623 118.809 120.500 -0.113 0.000 3.076 154 R HA 0.810 5.150 4.340 0.000 0.000 0.239 154 R C 1.173 177.244 176.300 -0.382 0.000 1.392 154 R CA 0.208 56.193 56.100 -0.192 0.000 1.044 154 R CB 0.757 30.957 30.300 -0.167 0.000 1.389 154 R HN 1.143 nan 8.270 nan 0.000 0.498 155 G N -0.307 108.177 108.800 -0.527 0.000 2.799 155 G HA2 -0.193 3.767 3.960 0.000 0.000 0.200 155 G HA3 -0.193 3.767 3.960 0.000 0.000 0.200 155 G C -0.048 174.286 174.900 -0.943 0.000 1.206 155 G CA -0.312 44.120 45.100 -1.114 0.000 0.827 155 G HN 0.310 nan 8.290 nan 0.000 0.511 156 L N 1.878 122.763 121.223 -0.563 0.000 3.084 156 L HA 0.420 4.760 4.340 0.000 0.000 0.238 156 L C 1.421 178.186 176.870 -0.175 0.000 1.327 156 L CA -0.157 54.518 54.840 -0.275 0.000 1.094 156 L CB 0.663 42.659 42.059 -0.106 0.000 1.477 156 L HN 0.344 nan 8.230 nan 0.000 0.514 157 E N -0.282 119.807 120.200 -0.185 0.000 2.112 157 E HA -0.065 4.285 4.350 0.000 0.000 0.190 157 E C 1.123 177.663 176.600 -0.100 0.000 0.979 157 E CA 0.687 57.011 56.400 -0.126 0.000 0.814 157 E CB 0.180 29.807 29.700 -0.122 0.000 0.762 157 E HN 0.371 nan 8.360 nan 0.000 0.460 158 N N 0.921 119.560 118.700 -0.101 0.000 2.421 158 N HA -0.005 4.735 4.740 0.000 0.000 0.201 158 N C -0.420 175.036 175.510 -0.090 0.000 1.198 158 N CA 0.257 53.257 53.050 -0.084 0.000 0.838 158 N CB 0.274 38.718 38.487 -0.073 0.000 1.011 158 N HN 0.078 nan 8.380 nan 0.000 0.463 159 S N -0.418 115.229 115.700 -0.088 0.000 2.578 159 S HA 0.494 4.964 4.470 0.000 0.000 0.301 159 S C -0.239 174.312 174.600 -0.082 0.000 1.091 159 S CA -0.919 57.228 58.200 -0.088 0.000 1.032 159 S CB 2.045 65.209 63.200 -0.060 0.000 1.064 159 S HN -0.001 nan 8.310 nan 0.000 0.508 160 L N 2.307 123.479 121.223 -0.086 0.000 2.397 160 L HA 0.472 4.812 4.340 0.000 0.000 0.271 160 L C -2.367 174.467 176.870 -0.061 0.000 1.148 160 L CA -1.639 53.159 54.840 -0.070 0.000 0.825 160 L CB -0.116 41.901 42.059 -0.070 0.000 1.117 160 L HN 0.547 nan 8.230 nan 0.000 0.456 161 P HA 0.042 nan 4.420 nan 0.000 0.265 161 P C 0.792 178.058 177.300 -0.056 0.000 1.193 161 P CA -0.036 63.031 63.100 -0.055 0.000 0.765 161 P CB 0.465 32.139 31.700 -0.043 0.000 0.823 162 L N 2.724 123.901 121.223 -0.077 0.000 2.079 162 L HA -0.230 4.110 4.340 0.000 0.000 0.210 162 L C 2.208 179.053 176.870 -0.041 0.000 1.081 162 L CA 1.848 56.644 54.840 -0.074 0.000 0.752 162 L CB -0.992 40.984 42.059 -0.138 0.000 0.896 162 L HN 0.525 nan 8.230 nan 0.000 0.433 163 E N 0.227 120.402 120.200 -0.041 0.000 2.153 163 E HA -0.160 4.190 4.350 0.000 0.000 0.194 163 E C 2.105 178.689 176.600 -0.026 0.000 0.988 163 E CA 1.315 57.697 56.400 -0.030 0.000 0.811 163 E CB -0.476 29.204 29.700 -0.035 0.000 0.746 163 E HN 0.273 nan 8.360 nan 0.000 0.466 164 V N 1.361 121.259 119.914 -0.027 0.000 2.427 164 V HA -0.208 3.912 4.120 0.000 0.000 0.248 164 V C 2.383 178.469 176.094 -0.014 0.000 1.051 164 V CA 1.367 63.654 62.300 -0.021 0.000 1.048 164 V CB -0.035 31.774 31.823 -0.023 0.000 0.666 164 V HN 0.226 nan 8.190 nan 0.000 0.456 165 V N -0.233 119.675 119.914 -0.010 0.000 2.379 165 V HA -0.194 3.926 4.120 0.000 0.000 0.245 165 V C 2.537 178.639 176.094 0.014 0.000 1.044 165 V CA 1.784 64.088 62.300 0.006 0.000 1.036 165 V CB -0.761 31.072 31.823 0.017 0.000 0.664 165 V HN 0.449 nan 8.190 nan 0.000 0.453 166 R N 0.322 120.829 120.500 0.012 0.000 2.096 166 R HA -0.105 4.236 4.340 0.000 0.000 0.235 166 R C 2.459 178.761 176.300 0.004 0.000 1.127 166 R CA 1.489 57.599 56.100 0.017 0.000 0.968 166 R CB -0.766 29.542 30.300 0.013 0.000 0.861 166 R HN 0.591 nan 8.270 nan 0.000 0.440 167 G N 1.008 109.803 108.800 -0.007 0.000 2.408 167 G HA2 -0.087 3.873 3.960 0.000 0.000 0.217 167 G HA3 -0.087 3.873 3.960 0.000 0.000 0.217 167 G C 0.694 175.588 174.900 -0.010 0.000 1.150 167 G CA 0.594 45.686 45.100 -0.014 0.000 0.776 167 G HN 0.431 nan 8.290 nan 0.000 0.542 171 I N 1.323 121.882 120.570 -0.018 0.000 2.353 171 I HA -0.042 4.128 4.170 0.000 0.000 0.248 171 I C 2.783 178.886 176.117 -0.024 0.000 1.119 171 I CA 0.910 62.196 61.300 -0.023 0.000 1.417 171 I CB -0.303 37.683 38.000 -0.023 0.000 1.078 171 I HN 0.080 nan 8.210 nan 0.000 0.421 172 R N 1.297 121.786 120.500 -0.019 0.000 2.080 172 R HA -0.135 4.205 4.340 0.000 0.000 0.236 172 R C 2.320 178.605 176.300 -0.024 0.000 1.137 172 R CA 1.511 57.600 56.100 -0.019 0.000 0.943 172 R CB -0.727 29.562 30.300 -0.018 0.000 0.846 172 R HN 0.208 nan 8.270 nan 0.000 0.431 173 V N 1.615 121.514 119.914 -0.025 0.000 2.255 173 V HA -0.284 3.836 4.120 0.000 0.000 0.247 173 V C 2.247 178.326 176.094 -0.026 0.000 1.051 173 V CA 2.170 64.454 62.300 -0.026 0.000 1.018 173 V CB -0.819 30.989 31.823 -0.024 0.000 0.641 173 V HN 0.423 nan 8.190 nan 0.000 0.445 174 N N 0.034 118.718 118.700 -0.025 0.000 2.094 174 N HA -0.221 4.519 4.740 0.000 0.000 0.191 174 N C 1.979 177.461 175.510 -0.047 0.000 1.023 174 N CA 1.925 54.958 53.050 -0.027 0.000 0.857 174 N CB -0.325 38.145 38.487 -0.028 0.000 1.013 174 N HN 0.358 nan 8.380 nan 0.000 0.426 175 S N -0.773 114.896 115.700 -0.052 0.000 2.402 175 S HA 0.083 4.553 4.470 0.000 0.000 0.229 175 S C 1.542 176.105 174.600 -0.061 0.000 1.021 175 S CA 0.553 58.714 58.200 -0.066 0.000 0.974 175 S CB -0.247 62.927 63.200 -0.043 0.000 0.800 175 S HN 0.395 nan 8.310 nan 0.000 0.484 176 L N 1.611 122.810 121.223 -0.041 0.000 2.610 176 L HA 0.077 4.417 4.340 0.000 0.000 0.232 176 L C 1.918 178.761 176.870 -0.046 0.000 1.149 176 L CA 0.994 55.813 54.840 -0.035 0.000 0.872 176 L CB -0.533 41.514 42.059 -0.021 0.000 0.992 176 L HN 0.446 nan 8.230 nan 0.000 0.447 177 T N -4.663 109.862 114.554 -0.049 0.000 3.163 177 T HA 0.090 4.440 4.350 0.000 0.000 0.252 177 T C 1.503 176.173 174.700 -0.050 0.000 1.056 177 T CA -0.225 61.855 62.100 -0.034 0.000 0.947 177 T CB 0.065 68.929 68.868 -0.006 0.000 1.016 177 T HN 0.153 nan 8.240 nan 0.000 0.554 178 R N 0.742 121.158 120.500 -0.140 0.000 2.312 178 R HA 0.454 4.794 4.340 0.000 0.000 0.205 178 R C 1.494 177.550 176.300 -0.408 0.000 0.904 178 R CA 0.470 56.410 56.100 -0.267 0.000 1.052 178 R CB 0.039 30.049 30.300 -0.483 0.000 1.014 178 R HN 0.438 nan 8.270 nan 0.000 0.503 179 G N 0.885 109.553 108.800 -0.220 0.000 2.351 179 G HA2 -0.306 3.654 3.960 0.000 0.000 0.297 179 G HA3 -0.306 3.654 3.960 0.000 0.000 0.297 179 G C -0.042 174.853 174.900 -0.008 0.000 1.054 179 G CA 0.568 45.611 45.100 -0.094 0.000 1.123 179 G HN 0.641 nan 8.290 nan 0.000 0.512 180 H N -1.387 117.682 119.070 -0.002 0.000 3.091 180 H HA 0.174 4.730 4.556 0.000 0.000 0.249 180 H C 2.408 177.737 175.328 0.002 0.000 0.985 180 H CA 0.453 56.493 56.048 -0.013 0.000 1.177 180 H CB 0.718 30.469 29.762 -0.018 0.000 1.456 180 H HN 0.419 nan 8.280 nan 0.000 0.467 181 S N 0.280 116.055 115.700 0.125 0.000 2.439 181 S HA 0.202 4.672 4.470 0.000 0.000 0.224 181 S C 1.315 175.959 174.600 0.074 0.000 1.029 181 S CA 0.604 58.854 58.200 0.084 0.000 0.946 181 S CB 0.536 63.769 63.200 0.055 0.000 0.797 181 S HN 0.565 nan 8.310 nan 0.000 0.504 182 A N 0.673 123.534 122.820 0.068 0.000 3.115 182 A HA -0.112 4.208 4.320 0.000 0.000 0.255 182 A C 0.124 177.738 177.584 0.049 0.000 1.380 182 A CA 0.487 52.568 52.037 0.072 0.000 0.806 182 A CB -2.129 16.935 19.000 0.106 0.000 1.044 182 A HN 0.793 nan 8.150 nan 0.000 0.589 183 V N 1.028 120.960 119.914 0.031 0.000 2.417 183 V HA 0.666 4.786 4.120 0.000 0.000 0.291 183 V C 0.745 176.845 176.094 0.010 0.000 1.024 183 V CA -0.827 61.483 62.300 0.017 0.000 0.861 183 V CB 1.125 32.952 31.823 0.007 0.000 0.985 183 V HN 0.588 nan 8.190 nan 0.000 0.436 184 R N 4.794 125.299 120.500 0.009 0.000 2.640 184 R HA 0.080 4.420 4.340 0.000 0.000 0.270 184 R C 0.928 177.226 176.300 -0.003 0.000 1.024 184 R CA -0.251 55.852 56.100 0.006 0.000 1.085 184 R CB 0.244 30.548 30.300 0.006 0.000 0.963 184 R HN 0.718 nan 8.270 nan 0.000 0.426 185 L N 3.131 124.353 121.223 -0.002 0.000 2.043 185 L HA -0.226 4.114 4.340 0.000 0.000 0.212 185 L C 2.424 179.288 176.870 -0.010 0.000 1.075 185 L CA 1.385 56.221 54.840 -0.006 0.000 0.752 185 L CB -1.012 41.046 42.059 -0.002 0.000 0.891 185 L HN 0.605 nan 8.230 nan 0.000 0.432 186 V N -0.754 119.156 119.914 -0.006 0.000 2.380 186 V HA -0.275 3.845 4.120 0.000 0.000 0.251 186 V C 2.384 178.466 176.094 -0.021 0.000 1.063 186 V CA 1.915 64.211 62.300 -0.008 0.000 1.055 186 V CB -0.011 31.811 31.823 -0.001 0.000 0.657 186 V HN 0.270 nan 8.190 nan 0.000 0.455 187 V N -0.346 119.553 119.914 -0.026 0.000 2.270 187 V HA -0.199 3.921 4.120 0.000 0.000 0.245 187 V C 2.419 178.478 176.094 -0.058 0.000 1.043 187 V CA 2.063 64.335 62.300 -0.046 0.000 1.014 187 V CB -0.660 31.140 31.823 -0.038 0.000 0.645 187 V HN 0.489 nan 8.190 nan 0.000 0.447 188 L N 0.095 121.293 121.223 -0.042 0.000 2.051 188 L HA -0.243 4.097 4.340 0.000 0.000 0.214 188 L C 2.391 179.234 176.870 -0.046 0.000 1.076 188 L CA 1.952 56.767 54.840 -0.042 0.000 0.758 188 L CB -0.926 41.117 42.059 -0.027 0.000 0.890 188 L HN 0.409 nan 8.230 nan 0.000 0.433 189 E N -1.151 119.027 120.200 -0.037 0.000 2.274 189 E HA -0.100 4.250 4.350 0.000 0.000 0.194 189 E C 2.259 178.834 176.600 -0.042 0.000 0.996 189 E CA 0.714 57.095 56.400 -0.032 0.000 0.840 189 E CB -0.164 29.526 29.700 -0.017 0.000 0.772 189 E HN 0.520 nan 8.360 nan 0.000 0.491 190 A N 0.853 123.632 122.820 -0.069 0.000 1.969 190 A HA -0.133 4.187 4.320 0.000 0.000 0.218 190 A C 2.067 179.530 177.584 -0.202 0.000 1.169 190 A CA 0.913 52.884 52.037 -0.111 0.000 0.635 190 A CB -0.347 18.558 19.000 -0.157 0.000 0.810 190 A HN 0.132 nan 8.150 nan 0.000 0.445 191 L N -0.447 120.671 121.223 -0.174 0.000 2.049 191 L HA -0.122 4.218 4.340 0.000 0.000 0.203 191 L C 3.056 179.906 176.870 -0.034 0.000 1.074 191 L CA 1.764 56.510 54.840 -0.157 0.000 0.749 191 L CB -0.967 41.025 42.059 -0.112 0.000 0.907 191 L HN 0.599 nan 8.230 nan 0.000 0.439 192 T N -3.215 111.321 114.554 -0.030 0.000 2.833 192 T HA -0.179 4.171 4.350 0.000 0.000 0.269 192 T C 1.478 176.163 174.700 -0.025 0.000 1.054 192 T CA 1.659 63.749 62.100 -0.015 0.000 1.135 192 T CB -0.661 68.194 68.868 -0.023 0.000 0.869 192 T HN 0.369 nan 8.240 nan 0.000 0.466 193 N N 0.260 118.944 118.700 -0.027 0.000 2.028 193 N HA -0.030 4.710 4.740 0.000 0.000 0.194 193 N C 1.534 177.018 175.510 -0.042 0.000 1.050 193 N CA 1.340 54.320 53.050 -0.116 0.000 0.848 193 N CB -0.320 38.148 38.487 -0.033 0.000 1.038 193 N HN 0.168 nan 8.380 nan 0.000 0.423 194 F N 1.897 121.755 119.950 -0.153 0.000 2.063 194 F HA -0.248 4.279 4.527 0.000 0.000 0.297 194 F C 2.293 178.038 175.800 -0.092 0.000 1.099 194 F CA 1.167 59.097 58.000 -0.117 0.000 1.220 194 F CB -0.958 38.002 39.000 -0.067 0.000 0.972 194 F HN 0.061 nan 8.300 nan 0.000 0.487 195 L N -0.340 120.965 121.223 0.135 0.000 1.955 195 L HA -0.306 4.034 4.340 0.000 0.000 0.213 195 L C 2.265 179.155 176.870 0.033 0.000 1.072 195 L CA 1.708 56.587 54.840 0.065 0.000 0.755 195 L CB -0.767 41.318 42.059 0.043 0.000 0.888 195 L HN 0.121 nan 8.230 nan 0.000 0.432 196 N N -0.907 117.794 118.700 0.000 0.000 2.430 196 N HA -0.188 4.552 4.740 0.000 0.000 0.186 196 N C 1.381 176.960 175.510 0.114 0.000 1.032 196 N CA 1.228 54.286 53.050 0.015 0.000 0.893 196 N CB -0.344 38.119 38.487 -0.040 0.000 0.957 196 N HN 0.571 nan 8.380 nan 0.000 0.442 197 H N -1.503 117.550 119.070 -0.029 0.000 2.586 197 H HA 0.230 4.786 4.556 0.000 0.000 0.273 197 H C 0.902 176.141 175.328 -0.148 0.000 0.997 197 H CA 0.034 56.029 56.048 -0.087 0.000 1.177 197 H CB 0.634 30.185 29.762 -0.353 0.000 1.471 197 H HN 0.221 nan 8.280 nan 0.000 0.538 198 G N 1.674 110.486 108.800 0.021 0.000 2.136 198 G HA2 -0.272 3.688 3.960 0.000 0.000 0.242 198 G HA3 -0.272 3.688 3.960 0.000 0.000 0.242 198 G C 0.095 174.956 174.900 -0.066 0.000 0.989 198 G CA -0.029 45.077 45.100 0.011 0.000 0.682 198 G HN 0.300 nan 8.290 nan 0.000 0.522 199 I N 1.662 122.112 120.570 -0.199 0.000 2.352 199 I HA 0.384 4.554 4.170 0.000 0.000 0.290 199 I C 0.169 176.247 176.117 -0.064 0.000 1.036 199 I CA 0.148 61.260 61.300 -0.314 0.000 1.336 199 I CB 1.305 38.782 38.000 -0.870 0.000 1.407 199 I HN 0.019 nan 8.210 nan 0.000 0.497 200 T N 7.239 121.813 114.554 0.033 0.000 2.890 200 T HA 0.335 4.686 4.350 0.000 0.000 0.295 200 T C -2.524 172.257 174.700 0.135 0.000 0.993 200 T CA -1.339 60.831 62.100 0.116 0.000 0.979 200 T CB 1.848 70.775 68.868 0.099 0.000 0.967 200 T HN 0.218 nan 8.240 nan 0.000 0.441 201 P HA 0.210 nan 4.420 nan 0.000 0.271 201 P C -0.433 176.931 177.300 0.107 0.000 1.216 201 P CA -0.565 62.635 63.100 0.167 0.000 0.776 201 P CB 0.415 32.234 31.700 0.198 0.000 0.881 202 I N 4.161 124.791 120.570 0.099 0.000 2.291 202 I HA 0.155 4.325 4.170 0.000 0.000 0.292 202 I C 0.429 176.535 176.117 -0.018 0.000 1.064 202 I CA -0.187 61.141 61.300 0.047 0.000 1.269 202 I CB 0.219 38.258 38.000 0.065 0.000 1.418 202 I HN 0.101 nan 8.210 nan 0.000 0.485 203 V N 9.325 129.179 119.914 -0.100 0.000 2.667 203 V HA 0.645 4.765 4.120 0.000 0.000 0.308 203 V C -2.428 173.453 176.094 -0.356 0.000 1.048 203 V CA -2.298 59.814 62.300 -0.312 0.000 0.928 203 V CB 2.405 34.130 31.823 -0.164 0.000 1.004 203 V HN 0.427 nan 8.190 nan 0.000 0.444 204 P HA 0.096 nan 4.420 nan 0.000 0.266 204 P C 0.365 177.545 177.300 -0.201 0.000 1.195 204 P CA 0.007 62.904 63.100 -0.339 0.000 0.768 204 P CB 0.654 32.126 31.700 -0.380 0.000 0.838 205 L N 3.289 124.432 121.223 -0.133 0.000 2.217 205 L HA 0.041 4.381 4.340 0.000 0.000 0.211 205 L C 0.656 177.484 176.870 -0.070 0.000 1.107 205 L CA 1.667 56.453 54.840 -0.090 0.000 0.783 205 L CB -0.232 41.782 42.059 -0.074 0.000 0.919 205 L HN 0.285 nan 8.230 nan 0.000 0.442 206 R N -1.998 118.461 120.500 -0.069 0.000 2.867 206 R HA 0.614 4.954 4.340 0.000 0.000 0.268 206 R C -0.066 176.213 176.300 -0.036 0.000 1.014 206 R CA -0.280 55.794 56.100 -0.044 0.000 0.946 206 R CB 1.498 31.778 30.300 -0.034 0.000 1.208 206 R HN 0.013 nan 8.270 nan 0.000 0.477 207 G N 0.437 109.228 108.800 -0.015 0.000 2.157 207 G HA2 -0.177 3.783 3.960 0.000 0.000 0.114 207 G HA3 -0.177 3.783 3.960 0.000 0.000 0.114 207 G C -0.411 174.496 174.900 0.011 0.000 1.041 207 G CA 0.038 45.138 45.100 0.001 0.000 0.714 207 G HN 0.614 nan 8.290 nan 0.000 0.492 208 T N 0.013 114.571 114.554 0.008 0.000 2.971 208 T HA 0.581 4.931 4.350 0.000 0.000 0.304 208 T C 1.027 175.739 174.700 0.019 0.000 1.038 208 T CA -0.204 61.905 62.100 0.015 0.000 1.007 208 T CB 0.999 69.875 68.868 0.013 0.000 1.055 208 T HN 0.967 nan 8.240 nan 0.000 0.451 209 I N 1.509 122.095 120.570 0.028 0.000 3.904 209 I HA 0.411 4.581 4.170 0.000 0.000 0.333 209 I C 0.504 176.648 176.117 0.044 0.000 1.361 209 I CA -0.613 60.708 61.300 0.034 0.000 1.116 209 I CB -0.542 37.481 38.000 0.038 0.000 1.028 209 I HN 0.581 nan 8.210 nan 0.000 0.398 215 L N 0.546 121.768 121.223 -0.000 0.000 1.971 215 L HA -0.158 4.182 4.340 0.000 0.000 0.215 215 L C 2.627 179.494 176.870 -0.006 0.000 1.072 215 L CA 1.777 56.605 54.840 -0.020 0.000 0.758 215 L CB -1.701 40.326 42.059 -0.054 0.000 0.889 215 L HN 0.207 nan 8.230 nan 0.000 0.433 216 S N 0.168 115.874 115.700 0.011 0.000 2.369 216 S HA -0.134 4.337 4.470 0.000 0.000 0.225 216 S C -0.172 174.549 174.600 0.202 0.000 1.043 216 S CA 2.199 60.447 58.200 0.079 0.000 1.074 216 S CB -1.071 62.181 63.200 0.085 0.000 0.962 216 S HN 0.328 nan 8.310 nan 0.000 0.433 217 P HA -0.035 nan 4.420 nan 0.000 0.217 217 P C 1.456 178.837 177.300 0.136 0.000 1.150 217 P CA 0.810 63.982 63.100 0.120 0.000 0.832 217 P CB -0.173 31.541 31.700 0.023 0.000 0.787 218 L N -0.195 121.071 121.223 0.072 0.000 2.456 218 L HA 0.020 4.360 4.340 0.000 0.000 0.224 218 L C 2.286 179.168 176.870 0.021 0.000 1.148 218 L CA 1.527 56.390 54.840 0.038 0.000 0.825 218 L CB -1.415 40.653 42.059 0.015 0.000 0.937 218 L HN -0.091 nan 8.230 nan 0.000 0.450 219 S N -2.391 113.321 115.700 0.021 0.000 2.501 219 S HA -0.001 4.469 4.470 0.000 0.000 0.220 219 S C 1.606 176.120 174.600 -0.143 0.000 0.997 219 S CA 0.133 58.284 58.200 -0.081 0.000 0.919 219 S CB -0.099 63.008 63.200 -0.155 0.000 0.778 219 S HN 0.389 nan 8.310 nan 0.000 0.523 220 Y N 1.236 121.502 120.300 -0.056 0.000 2.337 220 Y HA 0.209 4.759 4.550 0.000 0.000 0.293 220 Y C 1.867 177.754 175.900 -0.021 0.000 1.123 220 Y CA 0.527 58.599 58.100 -0.047 0.000 1.201 220 Y CB -0.169 38.270 38.460 -0.034 0.000 1.011 220 Y HN 0.216 nan 8.280 nan 0.000 0.545 221 I N -1.037 119.598 120.570 0.109 0.000 2.406 221 I HA -0.184 3.986 4.170 0.000 0.000 0.249 221 I C 2.287 178.387 176.117 -0.028 0.000 1.122 221 I CA 0.992 62.321 61.300 0.047 0.000 1.431 221 I CB -0.303 37.712 38.000 0.026 0.000 1.087 221 I HN 0.110 nan 8.210 nan 0.000 0.424 222 A N 0.351 123.148 122.820 -0.038 0.000 2.206 222 A HA 0.236 4.556 4.320 0.000 0.000 0.211 222 A C 2.206 179.764 177.584 -0.044 0.000 1.158 222 A CA 1.164 53.165 52.037 -0.059 0.000 0.761 222 A CB -0.370 18.599 19.000 -0.052 0.000 0.801 222 A HN 0.395 nan 8.150 nan 0.000 0.473 223 A N -1.055 121.741 122.820 -0.040 0.000 2.169 223 A HA 0.561 4.881 4.320 0.000 0.000 0.210 223 A C 2.129 179.761 177.584 0.080 0.000 1.168 223 A CA 1.059 53.097 52.037 0.002 0.000 0.813 223 A CB -0.331 18.576 19.000 -0.154 0.000 0.861 223 A HN 0.713 nan 8.150 nan 0.000 0.481 224 A N 0.821 123.684 122.820 0.071 0.000 1.903 224 A HA 0.085 4.405 4.320 0.000 0.000 0.213 224 A C 1.935 179.607 177.584 0.147 0.000 1.185 224 A CA 1.177 53.319 52.037 0.176 0.000 0.628 224 A CB -0.653 18.506 19.000 0.264 0.000 0.830 224 A HN 0.861 nan 8.150 nan 0.000 0.446 225 I N -1.593 118.887 120.570 -0.149 0.000 3.291 225 I HA 0.021 4.191 4.170 0.000 0.000 0.279 225 I C 1.332 177.403 176.117 -0.076 0.000 1.294 225 I CA 1.359 62.457 61.300 -0.337 0.000 1.428 225 I CB 0.020 37.674 38.000 -0.577 0.000 1.070 225 I HN 0.244 nan 8.210 nan 0.000 0.478 226 S N 0.177 115.877 115.700 -0.001 0.000 2.602 226 S HA 0.421 4.891 4.470 0.000 0.000 0.240 226 S C 1.345 175.987 174.600 0.070 0.000 0.992 226 S CA 0.067 58.282 58.200 0.026 0.000 0.971 226 S CB 0.018 63.227 63.200 0.015 0.000 0.855 226 S HN 0.724 nan 8.310 nan 0.000 0.481 227 G N 2.729 111.601 108.800 0.119 0.000 2.371 227 G HA2 -0.297 3.663 3.960 0.000 0.000 0.299 227 G HA3 -0.297 3.663 3.960 0.000 0.000 0.299 227 G C -0.040 174.938 174.900 0.129 0.000 1.014 227 G CA 0.305 45.488 45.100 0.139 0.000 1.097 227 G HN 0.799 nan 8.290 nan 0.000 0.512 228 H N 1.182 120.289 119.070 0.063 0.000 2.972 228 H HA 0.093 4.649 4.556 0.000 0.000 0.343 228 H C -0.347 175.028 175.328 0.078 0.000 1.054 228 H CA -0.363 55.713 56.048 0.046 0.000 1.412 228 H CB 1.279 31.054 29.762 0.021 0.000 1.385 228 H HN 0.214 nan 8.280 nan 0.000 0.600 229 P HA -0.144 nan 4.420 nan 0.000 0.218 229 P C 0.832 178.313 177.300 0.303 0.000 1.149 229 P CA 1.238 64.381 63.100 0.072 0.000 0.817 229 P CB 0.441 32.098 31.700 -0.072 0.000 0.785 230 D N -0.540 120.181 120.400 0.533 0.000 2.349 230 D HA 0.003 4.643 4.640 0.000 0.000 0.214 230 D C 0.306 176.783 176.300 0.295 0.000 1.063 230 D CA 0.039 54.288 54.000 0.414 0.000 0.847 230 D CB -0.214 40.765 40.800 0.298 0.000 0.933 230 D HN -0.050 nan 8.370 nan 0.000 0.513 231 S N 0.727 116.604 115.700 0.293 0.000 2.516 231 S HA 0.128 4.598 4.470 0.000 0.000 0.282 231 S C 0.020 174.706 174.600 0.142 0.000 1.286 231 S CA -0.269 58.036 58.200 0.175 0.000 1.066 231 S CB 0.162 63.474 63.200 0.187 0.000 0.884 231 S HN -0.038 nan 8.310 nan 0.000 0.491 232 K N 3.153 123.592 120.400 0.066 0.000 2.156 232 K HA 0.687 5.007 4.320 0.000 0.000 0.250 232 K C -0.273 176.357 176.600 0.050 0.000 0.955 232 K CA -0.819 55.450 56.287 -0.030 0.000 0.855 232 K CB 1.637 34.081 32.500 -0.092 0.000 1.101 232 K HN 0.594 nan 8.250 nan 0.000 0.434 233 V N -2.108 117.822 119.914 0.025 0.000 3.147 233 V HA 0.431 4.551 4.120 0.000 0.000 0.306 233 V C -0.954 175.173 176.094 0.055 0.000 1.209 233 V CA -0.921 61.414 62.300 0.058 0.000 1.023 233 V CB 2.222 34.059 31.823 0.022 0.000 1.059 233 V HN 0.893 nan 8.190 nan 0.000 0.435 234 H N 1.833 120.895 119.070 -0.013 0.000 2.457 234 H HA 0.866 5.422 4.556 0.000 0.000 0.335 234 H C -1.500 173.813 175.328 -0.026 0.000 1.115 234 H CA -0.156 55.890 56.048 -0.003 0.000 1.219 234 H CB 1.879 31.657 29.762 0.027 0.000 1.471 234 H HN 0.902 nan 8.280 nan 0.000 0.491 235 V N 5.605 125.259 119.914 -0.434 0.000 3.000 235 V HA 0.217 4.337 4.120 0.000 0.000 0.300 235 V C -1.387 174.580 176.094 -0.212 0.000 1.251 235 V CA -0.709 61.461 62.300 -0.218 0.000 0.972 235 V CB 2.290 34.050 31.823 -0.104 0.000 1.065 235 V HN 0.557 nan 8.190 nan 0.000 0.431 236 V N 6.458 126.348 119.914 -0.040 0.000 2.389 236 V HA 0.404 4.524 4.120 0.000 0.000 0.264 236 V C -0.037 176.123 176.094 0.110 0.000 1.049 236 V CA -0.234 62.077 62.300 0.018 0.000 0.932 236 V CB 0.701 32.556 31.823 0.054 0.000 1.011 236 V HN 0.882 nan 8.190 nan 0.000 0.475 237 H N 6.359 125.419 119.070 -0.018 0.000 2.762 237 H HA 0.250 4.806 4.556 0.000 0.000 0.310 237 H C -0.342 174.961 175.328 -0.041 0.000 1.004 237 H CA -0.421 55.615 56.048 -0.020 0.000 1.267 237 H CB 0.972 30.718 29.762 -0.026 0.000 1.437 237 H HN 0.808 nan 8.280 nan 0.000 0.498 238 E N 4.031 124.016 120.200 -0.358 0.000 2.302 238 E HA -0.216 4.134 4.350 0.000 0.000 0.186 238 E C 1.072 177.613 176.600 -0.098 0.000 1.444 238 E CA 1.115 57.357 56.400 -0.263 0.000 0.671 238 E CB -1.925 27.587 29.700 -0.314 0.000 1.122 238 E HN 1.159 nan 8.360 nan 0.000 0.366 239 G N 0.863 109.627 108.800 -0.060 0.000 4.526 239 G HA2 -0.441 3.519 3.960 0.000 0.000 0.217 239 G HA3 -0.441 3.519 3.960 0.000 0.000 0.217 239 G C 0.383 175.286 174.900 0.006 0.000 1.428 239 G CA 1.115 46.204 45.100 -0.019 0.000 0.928 239 G HN 0.711 nan 8.290 nan 0.000 0.639 240 K N 1.821 122.228 120.400 0.012 0.000 2.102 240 K HA 0.691 5.011 4.320 0.000 0.000 0.244 240 K C -0.196 176.415 176.600 0.018 0.000 1.021 240 K CA -0.323 55.979 56.287 0.024 0.000 0.913 240 K CB 1.096 33.609 32.500 0.022 0.000 1.062 240 K HN 0.484 nan 8.250 nan 0.000 0.485 241 E N 0.887 121.096 120.200 0.014 0.000 2.204 241 E HA 0.232 4.582 4.350 0.000 0.000 0.276 241 E C -0.859 175.689 176.600 -0.087 0.000 0.974 241 E CA -1.066 55.301 56.400 -0.055 0.000 0.815 241 E CB 1.465 31.195 29.700 0.049 0.000 1.119 241 E HN 0.531 nan 8.360 nan 0.000 0.393 242 K N 1.776 122.057 120.400 -0.198 0.000 2.556 242 K HA 0.467 4.787 4.320 0.000 0.000 0.274 242 K C -1.266 175.218 176.600 -0.192 0.000 0.966 242 K CA -0.696 55.490 56.287 -0.168 0.000 0.865 242 K CB 1.143 33.553 32.500 -0.150 0.000 1.444 242 K HN 0.456 nan 8.250 nan 0.000 0.433 243 I N 3.019 123.507 120.570 -0.138 0.000 2.382 243 I HA 0.361 4.532 4.170 0.000 0.000 0.285 243 I C -0.403 175.626 176.117 -0.147 0.000 1.007 243 I CA -0.917 60.326 61.300 -0.095 0.000 1.142 243 I CB 1.125 39.117 38.000 -0.013 0.000 1.289 243 I HN 0.513 nan 8.210 nan 0.000 0.453 244 L N 2.792 123.941 121.223 -0.124 0.000 2.350 244 L HA 0.656 4.996 4.340 0.000 0.000 0.260 244 L C -0.829 175.996 176.870 -0.074 0.000 1.015 244 L CA -1.220 53.554 54.840 -0.110 0.000 0.821 244 L CB 1.041 43.074 42.059 -0.044 0.000 1.370 244 L HN 0.243 nan 8.230 nan 0.000 0.416 245 Y N 0.769 121.071 120.300 0.004 0.000 2.903 245 Y HA -0.002 4.548 4.550 0.000 0.000 0.338 245 Y C 1.768 177.692 175.900 0.040 0.000 1.265 245 Y CA 0.980 59.102 58.100 0.036 0.000 1.532 245 Y CB 0.492 38.973 38.460 0.036 0.000 1.293 245 Y HN 0.835 nan 8.280 nan 0.000 0.609 246 A N 4.035 126.984 122.820 0.215 0.000 1.927 246 A HA -0.266 4.054 4.320 0.000 0.000 0.220 246 A C 2.231 179.912 177.584 0.162 0.000 1.185 246 A CA 2.079 54.223 52.037 0.179 0.000 0.639 246 A CB -0.444 18.703 19.000 0.246 0.000 0.820 246 A HN 0.896 nan 8.150 nan 0.000 0.451 247 R N -0.821 119.780 120.500 0.168 0.000 2.075 247 R HA -0.109 4.231 4.340 0.000 0.000 0.232 247 R C 2.183 178.543 176.300 0.099 0.000 1.126 247 R CA 1.303 57.477 56.100 0.122 0.000 0.963 247 R CB -0.422 29.930 30.300 0.087 0.000 0.858 247 R HN 0.756 nan 8.270 nan 0.000 0.435 248 E N 1.097 121.363 120.200 0.109 0.000 2.204 248 E HA -0.083 4.268 4.350 0.000 0.000 0.195 248 E C 0.374 177.011 176.600 0.062 0.000 0.990 248 E CA 0.699 57.146 56.400 0.079 0.000 0.821 248 E CB 0.160 29.931 29.700 0.118 0.000 0.750 248 E HN 0.329 nan 8.360 nan 0.000 0.477 252 L N 0.418 121.708 121.223 0.111 0.000 2.721 252 L HA 0.147 4.487 4.340 0.000 0.000 0.241 252 L C 0.812 177.589 176.870 -0.154 0.000 1.168 252 L CA 1.646 56.493 54.840 0.012 0.000 0.866 252 L CB -0.971 41.087 42.059 -0.000 0.000 0.996 252 L HN 0.514 nan 8.230 nan 0.000 0.451 253 F N -2.364 117.581 119.950 -0.008 0.000 2.915 253 F HA 0.235 4.762 4.527 0.000 0.000 0.347 253 F C 0.951 176.776 175.800 0.043 0.000 1.104 253 F CA -0.862 57.118 58.000 -0.034 0.000 1.126 253 F CB -0.054 38.934 39.000 -0.019 0.000 1.145 253 F HN -0.039 nan 8.300 nan 0.000 0.541 254 N N 1.757 120.569 118.700 0.187 0.000 2.726 254 N HA -0.179 4.561 4.740 0.000 0.000 0.253 254 N C -1.260 174.362 175.510 0.187 0.000 1.059 254 N CA 0.374 53.510 53.050 0.144 0.000 0.701 254 N CB -1.032 37.515 38.487 0.100 0.000 0.899 254 N HN 0.251 nan 8.380 nan 0.000 0.548 255 L N -0.066 121.280 121.223 0.205 0.000 2.342 255 L HA 0.561 4.901 4.340 0.000 0.000 0.271 255 L C 0.372 177.333 176.870 0.153 0.000 1.008 255 L CA -0.922 54.038 54.840 0.199 0.000 0.818 255 L CB 1.753 43.960 42.059 0.248 0.000 1.296 255 L HN 0.092 nan 8.230 nan 0.000 0.427 256 E N 3.537 123.814 120.200 0.129 0.000 2.133 256 E HA 0.317 4.667 4.350 0.000 0.000 0.274 256 E C -2.306 174.351 176.600 0.095 0.000 0.930 256 E CA -1.781 54.677 56.400 0.097 0.000 0.770 256 E CB 1.046 30.787 29.700 0.069 0.000 1.104 256 E HN 0.164 nan 8.360 nan 0.000 0.403 257 P HA -0.014 nan 4.420 nan 0.000 0.261 257 P C -0.350 176.976 177.300 0.043 0.000 1.203 257 P CA -0.079 63.070 63.100 0.082 0.000 0.767 257 P CB 0.464 32.212 31.700 0.080 0.000 0.785 258 V N 4.376 124.301 119.914 0.019 0.000 2.963 258 V HA -0.000 4.120 4.120 0.000 0.000 0.306 258 V C 0.853 176.948 176.094 0.001 0.000 1.077 258 V CA -0.046 62.254 62.300 -0.000 0.000 1.124 258 V CB 1.164 32.969 31.823 -0.030 0.000 0.987 258 V HN 0.298 nan 8.190 nan 0.000 0.487 259 V N 5.511 125.425 119.914 0.000 0.000 2.334 259 V HA 0.330 4.450 4.120 0.000 0.000 0.281 259 V C 0.030 176.122 176.094 -0.003 0.000 1.016 259 V CA -0.465 61.835 62.300 0.000 0.000 0.832 259 V CB 1.354 33.178 31.823 0.002 0.000 0.999 259 V HN 0.598 nan 8.190 nan 0.000 0.439 260 L N 4.876 126.097 121.223 -0.004 0.000 2.462 260 L HA 0.399 4.739 4.340 0.000 0.000 0.272 260 L C 1.201 178.071 176.870 0.001 0.000 1.166 260 L CA 0.427 55.265 54.840 -0.004 0.000 0.880 260 L CB 0.482 42.538 42.059 -0.004 0.000 1.142 260 L HN 0.752 nan 8.230 nan 0.000 0.473 261 G N 3.685 112.487 108.800 0.003 0.000 2.532 261 G HA2 0.458 4.418 3.960 0.000 0.000 0.291 261 G HA3 0.458 4.418 3.960 0.000 0.000 0.291 261 G C -2.676 172.228 174.900 0.008 0.000 1.349 261 G CA -1.354 43.749 45.100 0.005 0.000 1.038 261 G HN 0.365 nan 8.290 nan 0.000 0.518 262 P HA 0.156 nan 4.420 nan 0.000 0.263 262 P C 0.138 177.448 177.300 0.018 0.000 1.195 262 P CA 0.420 63.527 63.100 0.011 0.000 0.762 262 P CB 0.677 32.382 31.700 0.007 0.000 0.799 263 K N 1.204 121.617 120.400 0.021 0.000 3.529 263 K HA -0.286 4.034 4.320 0.000 0.000 0.313 263 K C 1.026 177.642 176.600 0.027 0.000 1.316 263 K CA 1.240 57.544 56.287 0.029 0.000 0.988 263 K CB -0.909 31.614 32.500 0.039 0.000 1.252 263 K HN 0.546 nan 8.250 nan 0.000 0.438 264 E N -0.594 119.617 120.200 0.020 0.000 2.216 264 E HA -0.053 4.297 4.350 0.000 0.000 0.192 264 E C 2.030 178.634 176.600 0.007 0.000 0.988 264 E CA 0.825 57.233 56.400 0.014 0.000 0.834 264 E CB 0.042 29.747 29.700 0.008 0.000 0.772 264 E HN 0.520 nan 8.360 nan 0.000 0.479 265 G N 1.426 110.230 108.800 0.006 0.000 2.414 265 G HA2 -0.253 3.707 3.960 0.000 0.000 0.215 265 G HA3 -0.253 3.707 3.960 0.000 0.000 0.215 265 G C 1.476 176.376 174.900 0.001 0.000 1.188 265 G CA 0.498 45.597 45.100 -0.000 0.000 0.783 265 G HN 0.213 nan 8.290 nan 0.000 0.537 266 L N 1.742 122.972 121.223 0.011 0.000 2.083 266 L HA 0.148 4.488 4.340 0.000 0.000 0.209 266 L C 2.711 179.592 176.870 0.018 0.000 1.083 266 L CA 2.239 57.088 54.840 0.014 0.000 0.752 266 L CB -0.939 41.135 42.059 0.025 0.000 0.899 266 L HN 0.171 nan 8.230 nan 0.000 0.433 267 G N -0.762 108.052 108.800 0.023 0.000 2.422 267 G HA2 -0.171 3.789 3.960 0.000 0.000 0.218 267 G HA3 -0.171 3.789 3.960 0.000 0.000 0.218 267 G C 1.565 176.475 174.900 0.016 0.000 1.140 267 G CA 0.864 45.981 45.100 0.028 0.000 0.775 267 G HN 0.395 nan 8.290 nan 0.000 0.545 268 L N 0.666 121.891 121.223 0.003 0.000 1.995 268 L HA 0.056 4.396 4.340 0.000 0.000 0.206 268 L C 1.794 178.660 176.870 -0.007 0.000 1.098 268 L CA 0.627 55.462 54.840 -0.009 0.000 0.762 268 L CB -0.422 41.624 42.059 -0.022 0.000 0.900 268 L HN 0.155 nan 8.230 nan 0.000 0.441 269 V N 0.134 120.040 119.914 -0.014 0.000 2.304 269 V HA 0.224 4.344 4.120 0.000 0.000 0.239 269 V C -0.618 175.469 176.094 -0.011 0.000 1.201 269 V CA -0.110 62.179 62.300 -0.017 0.000 1.254 269 V CB -0.945 30.856 31.823 -0.037 0.000 1.335 269 V HN 0.608 nan 8.190 nan 0.000 0.491 270 N N 2.911 121.614 118.700 0.005 0.000 2.929 270 N HA 0.603 5.343 4.740 0.000 0.000 0.245 270 N C -0.527 175.012 175.510 0.049 0.000 1.081 270 N CA 0.793 53.854 53.050 0.018 0.000 1.048 270 N CB 1.511 40.013 38.487 0.025 0.000 1.629 270 N HN 1.251 nan 8.380 nan 0.000 0.598 271 G N 0.565 109.411 108.800 0.077 0.000 2.353 271 G HA2 0.164 4.124 3.960 0.000 0.000 0.615 271 G HA3 0.164 4.124 3.960 0.000 0.000 0.615 271 G C -0.722 174.225 174.900 0.077 0.000 1.280 271 G CA -0.158 45.000 45.100 0.097 0.000 1.000 271 G HN 1.212 nan 8.290 nan 0.000 0.516 272 T N -2.562 112.030 114.554 0.064 0.000 3.377 272 T HA 0.701 5.051 4.350 0.000 0.000 0.270 272 T C 1.209 175.921 174.700 0.020 0.000 1.586 272 T CA 0.816 62.943 62.100 0.045 0.000 1.487 272 T CB 0.834 69.729 68.868 0.046 0.000 0.994 272 T HN 1.933 nan 8.240 nan 0.000 0.689 273 A N 1.165 123.994 122.820 0.015 0.000 1.984 273 A HA 0.294 4.614 4.320 0.000 0.000 0.214 273 A C 2.108 179.693 177.584 0.001 0.000 1.173 273 A CA 0.621 52.660 52.037 0.003 0.000 0.673 273 A CB -0.408 18.592 19.000 0.000 0.000 0.830 273 A HN 0.537 nan 8.150 nan 0.000 0.453 274 V N 0.079 119.997 119.914 0.006 0.000 2.427 274 V HA -0.179 3.941 4.120 0.000 0.000 0.248 274 V C 2.645 178.739 176.094 -0.000 0.000 1.051 274 V CA 2.296 64.597 62.300 0.003 0.000 1.048 274 V CB -0.787 31.039 31.823 0.005 0.000 0.666 274 V HN 0.505 nan 8.190 nan 0.000 0.456 275 S N 0.500 116.203 115.700 0.004 0.000 2.362 275 S HA -0.014 4.456 4.470 0.000 0.000 0.221 275 S C 2.271 176.870 174.600 -0.002 0.000 1.032 275 S CA 1.181 59.383 58.200 0.003 0.000 0.973 275 S CB -0.488 62.718 63.200 0.011 0.000 0.849 275 S HN 0.612 nan 8.310 nan 0.000 0.465 276 A N 1.293 124.110 122.820 -0.004 0.000 1.978 276 A HA -0.014 4.306 4.320 0.000 0.000 0.220 276 A C 1.593 179.167 177.584 -0.016 0.000 1.170 276 A CA 1.120 53.149 52.037 -0.013 0.000 0.636 276 A CB -0.649 18.340 19.000 -0.017 0.000 0.810 276 A HN 0.420 nan 8.150 nan 0.000 0.448 280 T N 1.062 115.613 114.554 -0.005 0.000 2.737 280 T HA -0.070 4.280 4.350 0.000 0.000 0.265 280 T C 1.800 176.523 174.700 0.038 0.000 1.038 280 T CA 1.918 64.019 62.100 0.002 0.000 1.144 280 T CB -0.318 68.538 68.868 -0.020 0.000 0.866 280 T HN 0.186 nan 8.240 nan 0.000 0.434 281 L N 1.227 122.458 121.223 0.014 0.000 2.042 281 L HA -0.006 4.334 4.340 0.000 0.000 0.210 281 L C 2.761 179.676 176.870 0.076 0.000 1.076 281 L CA 1.678 56.529 54.840 0.018 0.000 0.749 281 L CB -1.266 40.785 42.059 -0.012 0.000 0.893 281 L HN 0.236 nan 8.230 nan 0.000 0.432 282 A N -1.200 121.647 122.820 0.046 0.000 1.930 282 A HA -0.180 4.140 4.320 0.000 0.000 0.217 282 A C 2.242 179.849 177.584 0.038 0.000 1.175 282 A CA 1.622 53.682 52.037 0.040 0.000 0.627 282 A CB -0.750 18.259 19.000 0.015 0.000 0.815 282 A HN 0.337 nan 8.150 nan 0.000 0.443 283 L N -0.530 120.715 121.223 0.037 0.000 2.027 283 L HA -0.162 4.178 4.340 0.000 0.000 0.206 283 L C 2.387 179.279 176.870 0.037 0.000 1.074 283 L CA 2.610 57.442 54.840 -0.013 0.000 0.745 283 L CB -0.926 41.140 42.059 0.012 0.000 0.898 283 L HN 0.655 nan 8.230 nan 0.000 0.433 284 H N -0.275 118.846 119.070 0.084 0.000 2.265 284 H HA -0.217 4.339 4.556 0.000 0.000 0.293 284 H C 1.518 176.912 175.328 0.111 0.000 1.089 284 H CA 2.395 58.539 56.048 0.160 0.000 1.244 284 H CB -0.087 29.735 29.762 0.101 0.000 1.355 284 H HN 0.377 nan 8.280 nan 0.000 0.485 285 D N 0.337 120.832 120.400 0.159 0.000 2.219 285 D HA -0.043 4.597 4.640 0.000 0.000 0.205 285 D C 2.205 178.506 176.300 0.001 0.000 0.970 285 D CA 1.030 55.072 54.000 0.069 0.000 0.851 285 D CB -0.410 40.459 40.800 0.116 0.000 0.943 285 D HN 0.513 nan 8.370 nan 0.000 0.488 286 A N 0.724 123.527 122.820 -0.028 0.000 1.929 286 A HA -0.115 4.205 4.320 0.000 0.000 0.216 286 A C 1.244 178.783 177.584 -0.077 0.000 1.176 286 A CA 0.784 52.780 52.037 -0.067 0.000 0.628 286 A CB -0.447 18.481 19.000 -0.120 0.000 0.816 286 A HN 0.213 nan 8.150 nan 0.000 0.444 290 S N -0.152 115.575 115.700 0.045 0.000 2.383 290 S HA -0.026 4.444 4.470 0.000 0.000 0.227 290 S C 1.877 176.506 174.600 0.049 0.000 1.026 290 S CA 1.583 59.817 58.200 0.057 0.000 0.981 290 S CB -0.010 63.229 63.200 0.066 0.000 0.818 290 S HN 0.334 nan 8.310 nan 0.000 0.472 291 L N 0.694 121.936 121.223 0.031 0.000 2.131 291 L HA 0.028 4.368 4.340 0.000 0.000 0.206 291 L C 2.370 179.241 176.870 0.002 0.000 1.087 291 L CA 0.570 55.415 54.840 0.008 0.000 0.767 291 L CB -0.445 41.606 42.059 -0.014 0.000 0.917 291 L HN 0.345 nan 8.230 nan 0.000 0.441 292 L N -0.724 120.504 121.223 0.008 0.000 2.141 292 L HA -0.161 4.179 4.340 0.000 0.000 0.209 292 L C 2.627 179.507 176.870 0.017 0.000 1.094 292 L CA 1.798 56.642 54.840 0.007 0.000 0.763 292 L CB -0.561 41.511 42.059 0.021 0.000 0.908 292 L HN 0.144 nan 8.230 nan 0.000 0.437 293 S N -1.230 114.497 115.700 0.045 0.000 2.383 293 S HA -0.199 4.271 4.470 0.000 0.000 0.227 293 S C 1.895 176.527 174.600 0.054 0.000 1.026 293 S CA 1.326 59.569 58.200 0.072 0.000 0.981 293 S CB -0.183 63.083 63.200 0.111 0.000 0.818 293 S HN 0.704 nan 8.310 nan 0.000 0.472 294 Q N 0.400 120.222 119.800 0.038 0.000 2.119 294 Q HA -0.019 4.321 4.340 0.000 0.000 0.201 294 Q C 2.475 178.462 176.000 -0.022 0.000 0.972 294 Q CA 1.602 57.416 55.803 0.019 0.000 0.847 294 Q CB -0.249 28.494 28.738 0.008 0.000 0.903 294 Q HN 0.527 nan 8.270 nan 0.000 0.433 295 S N 1.427 117.109 115.700 -0.029 0.000 2.348 295 S HA -0.104 4.366 4.470 0.000 0.000 0.221 295 S C 2.014 176.575 174.600 -0.066 0.000 1.033 295 S CA 0.908 59.081 58.200 -0.046 0.000 1.010 295 S CB -0.310 62.868 63.200 -0.036 0.000 0.891 295 S HN 0.255 nan 8.310 nan 0.000 0.442 296 L N 1.224 122.394 121.223 -0.089 0.000 2.129 296 L HA -0.170 4.170 4.340 0.000 0.000 0.212 296 L C 2.643 179.432 176.870 -0.134 0.000 1.087 296 L CA 1.180 55.895 54.840 -0.209 0.000 0.757 296 L CB -1.077 40.778 42.059 -0.339 0.000 0.896 296 L HN 0.351 nan 8.230 nan 0.000 0.434 297 T N -0.247 114.291 114.554 -0.027 0.000 2.674 297 T HA -0.059 4.291 4.350 0.000 0.000 0.265 297 T C 1.182 175.884 174.700 0.003 0.000 1.039 297 T CA 0.810 62.935 62.100 0.042 0.000 1.150 297 T CB -0.242 68.674 68.868 0.080 0.000 0.864 297 T HN 0.435 nan 8.240 nan 0.000 0.427 301 V N 2.347 122.278 119.914 0.029 0.000 2.453 301 V HA -0.190 3.930 4.120 0.000 0.000 0.252 301 V C 2.350 178.445 176.094 0.002 0.000 1.068 301 V CA 2.259 64.595 62.300 0.060 0.000 1.070 301 V CB -0.495 31.408 31.823 0.133 0.000 0.664 301 V HN 0.518 nan 8.190 nan 0.000 0.461 302 E N 0.094 120.266 120.200 -0.047 0.000 2.015 302 E HA -0.004 4.346 4.350 0.000 0.000 0.191 302 E C 1.458 177.848 176.600 -0.351 0.000 0.991 302 E CA 0.836 57.171 56.400 -0.108 0.000 0.802 302 E CB -0.213 29.434 29.700 -0.088 0.000 0.759 302 E HN 0.635 nan 8.360 nan 0.000 0.447 306 G N -0.858 107.958 108.800 0.027 0.000 2.557 306 G HA2 0.534 4.494 3.960 0.000 0.000 0.292 306 G HA3 0.534 4.494 3.960 0.000 0.000 0.292 306 G C -0.695 174.226 174.900 0.035 0.000 1.237 306 G CA -0.393 44.762 45.100 0.092 0.000 0.978 306 G HN 0.501 nan 8.290 nan 0.000 0.498 307 H N -0.759 118.350 119.070 0.064 0.000 2.620 307 H HA 0.463 5.019 4.556 0.000 0.000 0.313 307 H C 1.077 176.493 175.328 0.147 0.000 1.075 307 H CA 0.229 56.315 56.048 0.063 0.000 1.397 307 H CB 1.764 31.554 29.762 0.047 0.000 1.446 307 H HN 0.483 nan 8.280 nan 0.000 0.493 308 A N 2.974 125.924 122.820 0.217 0.000 2.208 308 A HA 0.064 4.384 4.320 0.000 0.000 0.209 308 A C 2.384 180.223 177.584 0.425 0.000 1.161 308 A CA 0.829 53.076 52.037 0.349 0.000 0.782 308 A CB -0.544 18.575 19.000 0.198 0.000 0.816 308 A HN 0.838 nan 8.150 nan 0.000 0.477 309 G N -0.612 108.372 108.800 0.307 0.000 2.509 309 G HA2 -0.066 3.894 3.960 0.000 0.000 0.218 309 G HA3 -0.066 3.894 3.960 0.000 0.000 0.218 309 G C 1.492 176.500 174.900 0.180 0.000 1.124 309 G CA 1.047 46.311 45.100 0.273 0.000 0.776 309 G HN 0.462 nan 8.290 nan 0.000 0.547 310 S N 0.372 116.075 115.700 0.005 0.000 2.442 310 S HA -0.003 4.467 4.470 0.000 0.000 0.236 310 S C 0.984 175.387 174.600 -0.328 0.000 1.007 310 S CA 0.573 58.584 58.200 -0.316 0.000 0.965 310 S CB -0.240 62.553 63.200 -0.678 0.000 0.773 310 S HN 0.435 nan 8.310 nan 0.000 0.504 311 F N 0.416 120.539 119.950 0.289 0.000 2.750 311 F HA 0.316 4.843 4.527 0.000 0.000 0.297 311 F C 0.813 176.812 175.800 0.332 0.000 1.138 311 F CA -0.834 57.356 58.000 0.318 0.000 1.346 311 F CB -0.279 38.805 39.000 0.140 0.000 0.965 311 F HN 0.170 nan 8.300 nan 0.000 0.514 312 H N 2.971 122.252 119.070 0.352 0.000 2.732 312 H HA 0.092 4.649 4.556 0.000 0.000 0.351 312 H C -1.778 173.735 175.328 0.309 0.000 1.090 312 H CA -1.526 54.696 56.048 0.289 0.000 1.431 312 H CB 1.701 31.593 29.762 0.217 0.000 1.447 312 H HN -0.028 nan 8.280 nan 0.000 0.582 313 P HA -0.179 nan 4.420 nan 0.000 0.217 313 P C 1.375 178.853 177.300 0.297 0.000 1.148 313 P CA 1.154 64.344 63.100 0.151 0.000 0.828 313 P CB -0.182 31.514 31.700 -0.008 0.000 0.783 314 F N -0.245 119.966 119.950 0.435 0.000 2.216 314 F HA -0.113 4.414 4.527 0.000 0.000 0.300 314 F C 1.727 177.553 175.800 0.043 0.000 1.085 314 F CA 1.237 59.368 58.000 0.217 0.000 1.326 314 F CB -0.443 38.648 39.000 0.152 0.000 1.027 314 F HN -0.224 nan 8.300 nan 0.000 0.497 315 L N -0.914 120.335 121.223 0.043 0.000 2.478 315 L HA -0.080 4.260 4.340 0.000 0.000 0.223 315 L C 1.616 178.089 176.870 -0.662 0.000 1.140 315 L CA 0.322 54.952 54.840 -0.350 0.000 0.842 315 L CB -0.434 41.358 42.059 -0.445 0.000 0.953 315 L HN 0.280 nan 8.230 nan 0.000 0.452 316 H N -1.809 117.275 119.070 0.024 0.000 2.654 316 H HA 0.097 4.653 4.556 0.000 0.000 0.170 316 H C 1.190 176.507 175.328 -0.019 0.000 1.045 316 H CA 0.320 56.378 56.048 0.017 0.000 1.178 316 H CB -0.419 29.383 29.762 0.067 0.000 1.162 316 H HN 0.041 nan 8.280 nan 0.000 0.399 317 D N 1.112 121.600 120.400 0.146 0.000 2.239 317 D HA -0.111 4.529 4.640 0.000 0.000 0.202 317 D C 1.922 178.210 176.300 -0.019 0.000 0.993 317 D CA 1.180 55.215 54.000 0.059 0.000 0.874 317 D CB 0.216 41.058 40.800 0.069 0.000 0.922 317 D HN 0.061 nan 8.370 nan 0.000 0.464 318 V N -0.309 119.549 119.914 -0.093 0.000 2.788 318 V HA -0.061 4.059 4.120 0.000 0.000 0.241 318 V C 2.414 178.325 176.094 -0.305 0.000 1.083 318 V CA 1.654 63.830 62.300 -0.207 0.000 1.103 318 V CB -0.028 31.603 31.823 -0.321 0.000 0.800 318 V HN 0.360 nan 8.190 nan 0.000 0.476 319 T N -1.724 112.601 114.554 -0.382 0.000 2.983 319 T HA 0.050 4.400 4.350 0.000 0.000 0.250 319 T C 1.281 175.873 174.700 -0.179 0.000 1.037 319 T CA 0.369 62.274 62.100 -0.325 0.000 1.142 319 T CB 0.115 68.749 68.868 -0.391 0.000 0.876 319 T HN 0.230 nan 8.240 nan 0.000 0.455 320 R N 2.035 122.462 120.500 -0.123 0.000 2.494 320 R HA 0.347 4.687 4.340 0.000 0.000 0.284 320 R C -2.745 173.524 176.300 -0.053 0.000 1.525 320 R CA -2.081 53.979 56.100 -0.066 0.000 1.460 320 R CB 1.163 31.488 30.300 0.042 0.000 1.134 320 R HN 0.155 nan 8.270 nan 0.000 0.592 321 P HA -0.109 nan 4.420 nan 0.000 0.310 321 P C -0.730 176.499 177.300 -0.118 0.000 1.512 321 P CA 0.530 63.565 63.100 -0.108 0.000 0.753 321 P CB -0.235 31.394 31.700 -0.119 0.000 1.608 322 H N 0.081 119.165 119.070 0.024 0.000 2.878 322 H HA 0.065 4.621 4.556 0.000 0.000 0.290 322 H C -1.291 174.052 175.328 0.025 0.000 1.065 322 H CA -1.552 54.508 56.048 0.021 0.000 1.477 322 H CB 0.430 30.204 29.762 0.021 0.000 1.484 322 H HN 0.074 nan 8.280 nan 0.000 0.504 323 P HA -0.253 nan 4.420 nan 0.000 0.214 323 P C 1.682 179.023 177.300 0.068 0.000 1.164 323 P CA 2.812 65.956 63.100 0.073 0.000 0.942 323 P CB 0.005 31.740 31.700 0.059 0.000 0.791 324 T N -3.389 111.205 114.554 0.067 0.000 2.929 324 T HA -0.199 4.151 4.350 0.000 0.000 0.271 324 T C 1.919 176.645 174.700 0.043 0.000 1.085 324 T CA 1.199 63.325 62.100 0.044 0.000 1.125 324 T CB -0.792 68.096 68.868 0.033 0.000 0.874 324 T HN 0.212 nan 8.240 nan 0.000 0.494 325 Q N 0.667 120.511 119.800 0.074 0.000 2.046 325 Q HA -0.009 4.331 4.340 0.000 0.000 0.200 325 Q C 2.308 178.310 176.000 0.003 0.000 0.975 325 Q CA 1.281 57.123 55.803 0.065 0.000 0.836 325 Q CB -0.306 28.527 28.738 0.159 0.000 0.896 325 Q HN 0.616 nan 8.270 nan 0.000 0.428 326 I N 0.984 121.585 120.570 0.051 0.000 2.194 326 I HA -0.328 3.842 4.170 0.000 0.000 0.246 326 I C 2.522 178.637 176.117 -0.004 0.000 1.093 326 I CA 1.702 63.023 61.300 0.035 0.000 1.355 326 I CB -0.370 37.667 38.000 0.062 0.000 1.046 326 I HN 0.425 nan 8.210 nan 0.000 0.413 327 E N 0.814 121.018 120.200 0.007 0.000 2.038 327 E HA -0.220 4.130 4.350 0.000 0.000 0.195 327 E C 2.296 178.888 176.600 -0.012 0.000 1.000 327 E CA 1.955 58.355 56.400 -0.001 0.000 0.803 327 E CB 0.049 29.753 29.700 0.007 0.000 0.750 327 E HN 0.269 nan 8.360 nan 0.000 0.448 328 V N 1.232 121.141 119.914 -0.010 0.000 2.343 328 V HA -0.248 3.872 4.120 0.000 0.000 0.247 328 V C 2.480 178.568 176.094 -0.011 0.000 1.051 328 V CA 1.741 64.041 62.300 -0.000 0.000 1.036 328 V CB -0.771 31.073 31.823 0.034 0.000 0.654 328 V HN 0.481 nan 8.190 nan 0.000 0.451 329 A N 0.561 123.338 122.820 -0.071 0.000 1.908 329 A HA -0.122 4.198 4.320 0.000 0.000 0.218 329 A C 2.433 180.021 177.584 0.007 0.000 1.181 329 A CA 2.055 54.065 52.037 -0.045 0.000 0.627 329 A CB -1.284 17.400 19.000 -0.527 0.000 0.818 329 A HN 0.523 nan 8.150 nan 0.000 0.445 330 G N 0.041 108.830 108.800 -0.018 0.000 2.446 330 G HA2 -0.305 3.655 3.960 0.000 0.000 0.217 330 G HA3 -0.305 3.655 3.960 0.000 0.000 0.217 330 G C 1.443 176.320 174.900 -0.039 0.000 1.168 330 G CA 1.076 46.170 45.100 -0.010 0.000 0.771 330 G HN 0.533 nan 8.290 nan 0.000 0.551 331 N N 0.727 119.398 118.700 -0.048 0.000 2.094 331 N HA -0.087 4.653 4.740 0.000 0.000 0.191 331 N C 2.249 177.690 175.510 -0.114 0.000 1.023 331 N CA 1.102 54.114 53.050 -0.064 0.000 0.857 331 N CB -0.264 38.192 38.487 -0.051 0.000 1.013 331 N HN 0.373 nan 8.380 nan 0.000 0.426 332 I N 0.793 121.249 120.570 -0.191 0.000 2.286 332 I HA -0.171 3.999 4.170 0.000 0.000 0.245 332 I C 2.636 178.522 176.117 -0.385 0.000 1.104 332 I CA 0.615 61.684 61.300 -0.386 0.000 1.397 332 I CB -0.209 37.321 38.000 -0.783 0.000 1.072 332 I HN 0.098 nan 8.210 nan 0.000 0.417 333 R N 1.648 121.990 120.500 -0.265 0.000 2.105 333 R HA -0.249 4.091 4.340 0.000 0.000 0.239 333 R C 2.249 178.516 176.300 -0.055 0.000 1.135 333 R CA 1.822 57.867 56.100 -0.091 0.000 0.967 333 R CB -0.135 30.190 30.300 0.041 0.000 0.861 333 R HN 0.231 nan 8.270 nan 0.000 0.442 334 K N 0.258 120.619 120.400 -0.064 0.000 2.155 334 K HA -0.044 4.276 4.320 0.000 0.000 0.203 334 K C 1.900 178.475 176.600 -0.041 0.000 1.052 334 K CA 0.857 57.120 56.287 -0.040 0.000 0.948 334 K CB 0.086 32.563 32.500 -0.038 0.000 0.728 334 K HN 0.221 nan 8.250 nan 0.000 0.448 335 L N 0.423 121.605 121.223 -0.069 0.000 2.418 335 L HA -0.033 4.307 4.340 0.000 0.000 0.218 335 L C 1.475 178.328 176.870 -0.029 0.000 1.125 335 L CA -0.013 54.796 54.840 -0.052 0.000 0.835 335 L CB 0.081 42.095 42.059 -0.075 0.000 0.953 335 L HN 0.149 nan 8.230 nan 0.000 0.454 336 L N -0.528 120.674 121.223 -0.034 0.000 2.477 336 L HA 0.102 4.442 4.340 0.000 0.000 0.220 336 L C 0.919 177.855 176.870 0.111 0.000 1.106 336 L CA 0.572 55.431 54.840 0.031 0.000 0.851 336 L CB -0.181 41.880 42.059 0.004 0.000 0.994 336 L HN 0.137 nan 8.230 nan 0.000 0.462 337 E N -0.250 119.987 120.200 0.063 0.000 2.417 337 E HA 0.299 4.649 4.350 0.000 0.000 0.261 337 E C 1.152 177.778 176.600 0.042 0.000 1.000 337 E CA 0.704 57.130 56.400 0.044 0.000 0.919 337 E CB 0.065 29.768 29.700 0.004 0.000 0.955 337 E HN 0.331 nan 8.360 nan 0.000 0.455 338 G N 2.924 111.743 108.800 0.033 0.000 2.213 338 G HA2 -0.320 3.640 3.960 0.000 0.000 0.236 338 G HA3 -0.320 3.640 3.960 0.000 0.000 0.236 338 G C 0.504 175.463 174.900 0.099 0.000 0.991 338 G CA 0.200 45.321 45.100 0.035 0.000 0.629 338 G HN 0.577 nan 8.290 nan 0.000 0.517 339 S N 0.121 115.927 115.700 0.177 0.000 2.549 339 S HA 0.477 4.947 4.470 0.000 0.000 0.283 339 S C 1.506 176.228 174.600 0.204 0.000 1.320 339 S CA 0.318 58.624 58.200 0.176 0.000 1.058 339 S CB 0.613 63.924 63.200 0.185 0.000 0.882 339 S HN 0.431 nan 8.310 nan 0.000 0.498 340 R N 2.894 123.457 120.500 0.105 0.000 2.334 340 R HA 0.152 4.492 4.340 0.000 0.000 0.216 340 R C 0.554 176.952 176.300 0.164 0.000 0.905 340 R CA 0.273 56.438 56.100 0.108 0.000 1.064 340 R CB 0.042 30.387 30.300 0.074 0.000 1.046 340 R HN 0.591 nan 8.270 nan 0.000 0.508 341 F N 1.065 121.138 119.950 0.204 0.000 2.262 341 F HA 0.229 4.756 4.527 0.000 0.000 0.292 341 F C 1.380 177.207 175.800 0.046 0.000 1.081 341 F CA -0.206 57.888 58.000 0.156 0.000 1.355 341 F CB -0.180 38.828 39.000 0.014 0.000 1.069 341 F HN -0.139 nan 8.300 nan 0.000 0.506 342 A N 0.780 123.692 122.820 0.152 0.000 2.328 342 A HA 0.520 4.840 4.320 0.000 0.000 0.284 342 A C -0.202 177.194 177.584 -0.315 0.000 1.160 342 A CA -0.447 51.553 52.037 -0.062 0.000 0.818 342 A CB 0.107 19.062 19.000 -0.074 0.000 1.087 342 A HN -0.052 nan 8.150 nan 0.000 0.504 343 V N 3.704 123.450 119.914 -0.280 0.000 2.715 343 V HA 0.108 4.228 4.120 0.000 0.000 0.299 343 V C 1.017 176.858 176.094 -0.421 0.000 1.054 343 V CA 0.199 62.307 62.300 -0.320 0.000 1.077 343 V CB 0.260 31.870 31.823 -0.356 0.000 0.972 343 V HN 1.043 nan 8.190 nan 0.000 0.484 344 H N 2.025 121.022 119.070 -0.122 0.000 2.317 344 H HA 0.333 4.889 4.556 0.000 0.000 0.291 344 H C 0.206 175.288 175.328 -0.410 0.000 0.999 344 H CA 0.477 56.342 56.048 -0.304 0.000 1.336 344 H CB 0.644 30.148 29.762 -0.431 0.000 1.485 344 H HN 0.666 nan 8.280 nan 0.000 0.597 360 Q N -0.048 119.736 119.800 -0.026 0.000 3.218 360 Q HA -0.099 4.241 4.340 0.000 0.000 0.025 360 Q C -1.746 174.223 176.000 -0.051 0.000 1.707 360 Q CA 0.695 56.425 55.803 -0.122 0.000 0.237 360 Q CB -0.271 28.437 28.738 -0.049 0.000 0.924 360 Q HN 0.760 nan 8.270 nan 0.000 0.321 361 D N 1.581 121.932 120.400 -0.081 0.000 2.457 361 D HA 0.532 5.172 4.640 0.000 0.000 0.240 361 D C -0.443 175.881 176.300 0.040 0.000 1.041 361 D CA -0.445 53.564 54.000 0.015 0.000 0.861 361 D CB 1.175 41.995 40.800 0.034 0.000 1.394 361 D HN 0.374 nan 8.370 nan 0.000 0.473 362 R N 0.984 121.520 120.500 0.061 0.000 2.583 362 R HA 0.223 4.563 4.340 0.000 0.000 0.268 362 R C 0.785 177.201 176.300 0.193 0.000 1.101 362 R CA -0.494 55.672 56.100 0.110 0.000 1.180 362 R CB 0.317 30.628 30.300 0.018 0.000 1.128 362 R HN 0.423 nan 8.270 nan 0.000 0.568 363 Y N 0.763 121.021 120.300 -0.071 0.000 2.151 363 Y HA -0.146 4.405 4.550 0.000 0.000 0.284 363 Y C -0.724 175.110 175.900 -0.111 0.000 1.166 363 Y CA 1.236 59.286 58.100 -0.083 0.000 1.163 363 Y CB -1.715 36.687 38.460 -0.097 0.000 0.974 363 Y HN 0.557 nan 8.280 nan 0.000 0.511 364 P HA -0.160 nan 4.420 nan 0.000 0.218 364 P C 1.424 178.727 177.300 0.005 0.000 1.146 364 P CA 1.684 64.749 63.100 -0.058 0.000 0.813 364 P CB -0.020 31.632 31.700 -0.080 0.000 0.778 365 L N -2.294 118.958 121.223 0.048 0.000 2.435 365 L HA 0.205 4.545 4.340 0.000 0.000 0.195 365 L C 2.620 179.513 176.870 0.038 0.000 1.072 365 L CA 0.216 55.119 54.840 0.105 0.000 0.833 365 L CB -0.458 41.680 42.059 0.131 0.000 1.081 365 L HN -0.268 nan 8.230 nan 0.000 0.485 366 R N 0.661 121.145 120.500 -0.026 0.000 2.120 366 R HA -0.143 4.198 4.340 0.000 0.000 0.234 366 R C 1.683 177.898 176.300 -0.142 0.000 1.123 366 R CA 1.921 57.941 56.100 -0.133 0.000 0.975 366 R CB -0.065 30.175 30.300 -0.100 0.000 0.866 366 R HN 0.417 nan 8.270 nan 0.000 0.446 367 T N -2.754 111.744 114.554 -0.092 0.000 3.186 367 T HA 0.152 4.502 4.350 0.000 0.000 0.257 367 T C 1.380 176.136 174.700 0.094 0.000 1.029 367 T CA 0.185 62.256 62.100 -0.050 0.000 0.916 367 T CB 0.547 69.340 68.868 -0.125 0.000 1.041 367 T HN 0.089 nan 8.240 nan 0.000 0.562 368 S N 2.723 118.483 115.700 0.100 0.000 2.359 368 S HA -0.024 4.446 4.470 0.000 0.000 0.223 368 S C -0.648 174.101 174.600 0.247 0.000 1.039 368 S CA 1.430 59.751 58.200 0.203 0.000 1.042 368 S CB -0.997 62.361 63.200 0.262 0.000 0.915 368 S HN 0.439 nan 8.310 nan 0.000 0.439 369 P HA -0.114 nan 4.420 nan 0.000 0.215 369 P C 1.238 178.622 177.300 0.139 0.000 1.157 369 P CA 1.225 64.406 63.100 0.135 0.000 0.868 369 P CB -0.208 31.485 31.700 -0.011 0.000 0.788 370 Q N -1.702 118.199 119.800 0.168 0.000 2.515 370 Q HA -0.127 4.213 4.340 0.000 0.000 0.212 370 Q C 1.635 177.723 176.000 0.147 0.000 0.970 370 Q CA 0.829 56.712 55.803 0.134 0.000 0.941 370 Q CB -1.031 27.781 28.738 0.123 0.000 0.998 370 Q HN 0.524 nan 8.270 nan 0.000 0.518 371 W N 0.776 122.088 121.300 0.019 0.000 2.699 371 W HA 0.184 4.844 4.660 0.000 0.000 0.267 371 W C 1.107 177.640 176.519 0.024 0.000 1.182 371 W CA 0.117 57.475 57.345 0.022 0.000 1.453 371 W CB 0.289 29.775 29.460 0.042 0.000 1.054 371 W HN 0.079 nan 8.180 nan 0.000 0.595 372 L N 0.491 121.837 121.223 0.205 0.000 2.307 372 L HA 0.144 4.484 4.340 0.000 0.000 0.211 372 L C 2.685 179.566 176.870 0.018 0.000 1.099 372 L CA 0.844 55.750 54.840 0.109 0.000 0.816 372 L CB -1.257 40.904 42.059 0.171 0.000 0.952 372 L HN -0.061 nan 8.230 nan 0.000 0.455 373 G N 1.832 110.642 108.800 0.017 0.000 2.631 373 G HA2 -0.261 3.699 3.960 0.000 0.000 0.219 373 G HA3 -0.261 3.699 3.960 0.000 0.000 0.219 373 G C -0.694 174.174 174.900 -0.053 0.000 1.214 373 G CA 1.103 46.197 45.100 -0.009 0.000 0.785 373 G HN 0.286 nan 8.290 nan 0.000 0.596 374 P HA -0.050 nan 4.420 nan 0.000 0.216 374 P C 1.874 179.105 177.300 -0.114 0.000 1.150 374 P CA 0.705 63.718 63.100 -0.144 0.000 0.837 374 P CB -0.077 31.494 31.700 -0.215 0.000 0.786 375 L N -1.454 119.701 121.223 -0.115 0.000 2.093 375 L HA -0.122 4.218 4.340 0.000 0.000 0.208 375 L C 2.416 179.269 176.870 -0.028 0.000 1.085 375 L CA 1.616 56.409 54.840 -0.078 0.000 0.755 375 L CB -1.690 40.332 42.059 -0.061 0.000 0.904 375 L HN -0.129 nan 8.230 nan 0.000 0.435 376 V N -1.621 118.289 119.914 -0.007 0.000 2.261 376 V HA -0.273 3.847 4.120 0.000 0.000 0.246 376 V C 2.664 178.780 176.094 0.038 0.000 1.047 376 V CA 1.858 64.175 62.300 0.028 0.000 1.015 376 V CB -0.769 31.074 31.823 0.034 0.000 0.642 376 V HN 0.466 nan 8.190 nan 0.000 0.446 377 S N -0.423 115.288 115.700 0.019 0.000 2.387 377 S HA -0.256 4.214 4.470 0.000 0.000 0.230 377 S C 1.760 176.394 174.600 0.057 0.000 1.035 377 S CA 1.841 60.064 58.200 0.038 0.000 1.014 377 S CB -0.489 62.720 63.200 0.015 0.000 0.836 377 S HN 0.643 nan 8.310 nan 0.000 0.466 378 D N 0.711 121.117 120.400 0.010 0.000 2.224 378 D HA 0.010 4.650 4.640 0.000 0.000 0.205 378 D C 1.892 178.228 176.300 0.060 0.000 0.965 378 D CA 0.602 54.602 54.000 0.000 0.000 0.852 378 D CB -0.171 40.592 40.800 -0.063 0.000 0.947 378 D HN 0.386 nan 8.370 nan 0.000 0.494 379 L N 0.412 121.667 121.223 0.052 0.000 2.072 379 L HA -0.073 4.267 4.340 0.000 0.000 0.205 379 L C 2.507 179.489 176.870 0.186 0.000 1.079 379 L CA 0.594 55.464 54.840 0.050 0.000 0.752 379 L CB -0.156 41.901 42.059 -0.005 0.000 0.906 379 L HN -0.022 nan 8.230 nan 0.000 0.436 380 I N -0.987 119.700 120.570 0.194 0.000 2.179 380 I HA -0.345 3.825 4.170 0.000 0.000 0.242 380 I C 2.703 178.941 176.117 0.202 0.000 1.088 380 I CA 1.253 62.666 61.300 0.189 0.000 1.357 380 I CB -0.598 37.466 38.000 0.107 0.000 1.051 380 I HN 0.386 nan 8.210 nan 0.000 0.409 381 H N 1.633 120.751 119.070 0.081 0.000 2.387 381 H HA -0.122 4.434 4.556 0.000 0.000 0.299 381 H C 2.143 177.513 175.328 0.070 0.000 1.090 381 H CA 1.815 57.900 56.048 0.062 0.000 1.332 381 H CB 0.161 29.942 29.762 0.031 0.000 1.386 381 H HN 0.322 nan 8.280 nan 0.000 0.516 382 A N 0.636 123.630 122.820 0.290 0.000 1.972 382 A HA -0.190 4.130 4.320 0.000 0.000 0.219 382 A C 2.384 180.050 177.584 0.135 0.000 1.169 382 A CA 1.427 53.581 52.037 0.194 0.000 0.635 382 A CB -0.927 18.139 19.000 0.109 0.000 0.810 382 A HN 0.592 nan 8.150 nan 0.000 0.446 383 H N -0.189 118.940 119.070 0.097 0.000 2.357 383 H HA -0.044 4.512 4.556 0.000 0.000 0.301 383 H C 2.387 177.733 175.328 0.030 0.000 1.082 383 H CA 1.530 57.640 56.048 0.102 0.000 1.342 383 H CB -0.075 29.791 29.762 0.173 0.000 1.389 383 H HN 0.452 nan 8.280 nan 0.000 0.511 384 A N 0.341 123.222 122.820 0.101 0.000 1.902 384 A HA -0.116 4.204 4.320 0.000 0.000 0.217 384 A C 2.827 180.373 177.584 -0.063 0.000 1.181 384 A CA 1.655 53.688 52.037 -0.006 0.000 0.623 384 A CB -0.857 18.082 19.000 -0.101 0.000 0.818 384 A HN 0.269 nan 8.150 nan 0.000 0.443 385 V N 0.082 119.948 119.914 -0.080 0.000 2.295 385 V HA -0.232 3.888 4.120 0.000 0.000 0.246 385 V C 2.502 178.566 176.094 -0.050 0.000 1.049 385 V CA 1.859 64.125 62.300 -0.058 0.000 1.024 385 V CB -0.770 31.051 31.823 -0.003 0.000 0.648 385 V HN 0.556 nan 8.190 nan 0.000 0.447 386 L N 0.655 121.842 121.223 -0.060 0.000 2.275 386 L HA -0.126 4.214 4.340 0.000 0.000 0.215 386 L C 2.743 179.546 176.870 -0.112 0.000 1.119 386 L CA 1.812 56.602 54.840 -0.084 0.000 0.790 386 L CB -0.884 41.114 42.059 -0.100 0.000 0.919 386 L HN 0.628 nan 8.230 nan 0.000 0.443 387 T N -2.621 111.855 114.554 -0.130 0.000 2.857 387 T HA -0.091 4.259 4.350 0.000 0.000 0.266 387 T C 1.786 176.446 174.700 -0.065 0.000 1.048 387 T CA 0.711 62.750 62.100 -0.102 0.000 1.139 387 T CB -0.329 68.498 68.868 -0.067 0.000 0.874 387 T HN 0.192 nan 8.240 nan 0.000 0.455 388 I N 1.286 121.821 120.570 -0.058 0.000 2.252 388 I HA -0.072 4.098 4.170 0.000 0.000 0.245 388 I C 2.874 178.952 176.117 -0.064 0.000 1.102 388 I CA 1.608 62.874 61.300 -0.055 0.000 1.385 388 I CB -0.312 37.658 38.000 -0.050 0.000 1.064 388 I HN 0.277 nan 8.210 nan 0.000 0.414 389 E N 1.188 121.352 120.200 -0.059 0.000 2.152 389 E HA -0.125 4.225 4.350 0.000 0.000 0.192 389 E C 1.978 178.545 176.600 -0.055 0.000 0.983 389 E CA 1.455 57.822 56.400 -0.054 0.000 0.818 389 E CB 0.017 29.692 29.700 -0.042 0.000 0.758 389 E HN 0.417 nan 8.360 nan 0.000 0.467 390 A N -0.783 122.002 122.820 -0.059 0.000 1.997 390 A HA 0.279 4.599 4.320 0.000 0.000 0.212 390 A C 2.130 179.678 177.584 -0.060 0.000 1.178 390 A CA 0.879 52.883 52.037 -0.055 0.000 0.698 390 A CB -0.149 18.819 19.000 -0.053 0.000 0.842 390 A HN 0.326 nan 8.150 nan 0.000 0.458 391 G N -1.577 107.183 108.800 -0.066 0.000 2.939 391 G HA2 0.313 4.273 3.960 0.000 0.000 0.216 391 G HA3 0.313 4.273 3.960 0.000 0.000 0.216 391 G C 0.711 175.542 174.900 -0.114 0.000 1.125 391 G CA 0.201 45.260 45.100 -0.068 0.000 0.766 391 G HN 0.468 nan 8.290 nan 0.000 0.541 392 Q N 0.299 120.017 119.800 -0.136 0.000 2.074 392 Q HA 0.339 4.679 4.340 0.000 0.000 0.265 392 Q C -0.918 174.957 176.000 -0.207 0.000 0.855 392 Q CA -0.093 55.575 55.803 -0.224 0.000 1.083 392 Q CB 1.581 30.239 28.738 -0.135 0.000 1.260 392 Q HN 0.170 nan 8.270 nan 0.000 0.427 393 S N 0.131 115.734 115.700 -0.161 0.000 2.540 393 S HA 0.456 4.926 4.470 0.000 0.000 0.275 393 S C -0.817 173.736 174.600 -0.078 0.000 1.123 393 S CA -0.654 57.481 58.200 -0.108 0.000 0.907 393 S CB 2.141 65.295 63.200 -0.075 0.000 1.081 393 S HN 0.106 nan 8.310 nan 0.000 0.476 394 T N 1.412 115.946 114.554 -0.034 0.000 2.874 394 T HA 0.411 4.761 4.350 0.000 0.000 0.321 394 T C 0.423 175.131 174.700 0.012 0.000 1.075 394 T CA -0.484 61.626 62.100 0.016 0.000 0.966 394 T CB -0.130 68.820 68.868 0.137 0.000 1.001 394 T HN 0.659 nan 8.240 nan 0.000 0.476 395 T N 1.699 116.264 114.554 0.017 0.000 3.256 395 T HA 0.386 4.736 4.350 0.000 0.000 0.237 395 T C -0.245 174.515 174.700 0.100 0.000 0.908 395 T CA -0.665 61.456 62.100 0.034 0.000 0.966 395 T CB -0.523 68.364 68.868 0.030 0.000 1.134 395 T HN 0.533 nan 8.240 nan 0.000 0.573 396 D N 1.279 121.739 120.400 0.099 0.000 2.506 396 D HA 0.688 5.329 4.640 0.000 0.000 0.254 396 D C -0.477 175.929 176.300 0.177 0.000 1.089 396 D CA -0.600 53.481 54.000 0.134 0.000 1.050 396 D CB 0.900 41.754 40.800 0.090 0.000 1.221 396 D HN 0.361 nan 8.370 nan 0.000 0.589 397 N N -0.743 118.062 118.700 0.176 0.000 2.666 397 N HA 0.334 5.074 4.740 0.000 0.000 0.260 397 N C -3.020 172.563 175.510 0.121 0.000 1.077 397 N CA -1.033 52.130 53.050 0.189 0.000 1.026 397 N CB 1.460 40.190 38.487 0.406 0.000 1.653 397 N HN 0.033 nan 8.380 nan 0.000 0.533 398 P HA 0.401 nan 4.420 nan 0.000 0.277 398 P C -0.772 176.527 177.300 -0.002 0.000 1.271 398 P CA -0.464 62.622 63.100 -0.024 0.000 0.795 398 P CB 0.800 32.362 31.700 -0.230 0.000 1.101 399 L N 0.317 121.520 121.223 -0.032 0.000 2.330 399 L HA 0.526 4.866 4.340 0.000 0.000 0.271 399 L C -0.303 176.555 176.870 -0.021 0.000 1.013 399 L CA -1.012 53.812 54.840 -0.026 0.000 0.816 399 L CB 1.229 43.228 42.059 -0.099 0.000 1.287 399 L HN 0.136 nan 8.230 nan 0.000 0.435 400 I N 1.094 121.649 120.570 -0.025 0.000 2.378 400 I HA 0.144 4.314 4.170 0.000 0.000 0.291 400 I C 0.687 176.724 176.117 -0.132 0.000 0.992 400 I CA -0.072 61.184 61.300 -0.074 0.000 1.154 400 I CB 1.522 39.472 38.000 -0.084 0.000 1.315 400 I HN 0.675 nan 8.210 nan 0.000 0.448 401 D N 4.929 125.241 120.400 -0.146 0.000 2.194 401 D HA -0.101 4.539 4.640 0.000 0.000 0.204 401 D C 1.910 178.098 176.300 -0.187 0.000 0.964 401 D CA 1.638 55.565 54.000 -0.122 0.000 0.846 401 D CB 0.797 41.598 40.800 0.001 0.000 0.962 401 D HN 0.568 nan 8.370 nan 0.000 0.490 402 V N -0.292 119.365 119.914 -0.427 0.000 0.548 402 V HA -0.453 3.667 4.120 0.000 0.000 0.092 402 V C 1.769 177.745 176.094 -0.195 0.000 2.080 402 V CA 2.999 65.037 62.300 -0.437 0.000 3.502 402 V CB -1.624 30.060 31.823 -0.232 0.000 0.794 402 V HN 0.371 nan 8.190 nan 0.000 0.827 403 E N 1.038 121.179 120.200 -0.098 0.000 2.204 403 E HA -0.202 4.148 4.350 0.000 0.000 0.195 403 E C 1.334 177.918 176.600 -0.027 0.000 0.990 403 E CA 1.508 57.883 56.400 -0.041 0.000 0.821 403 E CB -0.177 29.511 29.700 -0.020 0.000 0.750 403 E HN 0.912 nan 8.360 nan 0.000 0.477 404 N N 0.577 119.253 118.700 -0.041 0.000 2.235 404 N HA 0.042 4.782 4.740 0.000 0.000 0.231 404 N C -0.885 174.629 175.510 0.007 0.000 1.177 404 N CA 0.019 53.067 53.050 -0.002 0.000 0.874 404 N CB 0.812 39.311 38.487 0.019 0.000 1.097 404 N HN 0.066 nan 8.380 nan 0.000 0.518 405 K N 0.829 121.204 120.400 -0.042 0.000 3.540 405 K HA -0.153 4.167 4.320 0.000 0.000 0.274 405 K C -0.691 176.000 176.600 0.152 0.000 0.890 405 K CA 0.685 57.024 56.287 0.087 0.000 0.701 405 K CB -2.001 30.683 32.500 0.306 0.000 1.523 405 K HN 0.124 nan 8.250 nan 0.000 0.450 406 T N -0.201 114.340 114.554 -0.022 0.000 2.912 406 T HA 0.334 4.684 4.350 0.000 0.000 0.299 406 T C -0.778 173.886 174.700 -0.060 0.000 1.052 406 T CA -0.716 61.382 62.100 -0.003 0.000 0.996 406 T CB 2.241 71.071 68.868 -0.063 0.000 1.070 406 T HN 0.198 nan 8.240 nan 0.000 0.465 407 S N 0.923 116.569 115.700 -0.090 0.000 2.509 407 S HA 0.658 5.128 4.470 0.000 0.000 0.297 407 S C -1.343 173.045 174.600 -0.353 0.000 1.118 407 S CA -0.576 57.566 58.200 -0.097 0.000 1.074 407 S CB 0.336 63.533 63.200 -0.004 0.000 1.038 407 S HN 0.697 nan 8.310 nan 0.000 0.498 408 H N 1.825 120.779 119.070 -0.192 0.000 2.622 408 H HA 0.486 5.042 4.556 0.000 0.000 0.363 408 H C -0.755 174.394 175.328 -0.298 0.000 1.151 408 H CA -0.640 55.308 56.048 -0.167 0.000 1.184 408 H CB 1.082 30.784 29.762 -0.100 0.000 1.643 408 H HN 0.559 nan 8.280 nan 0.000 0.531 409 H N 1.728 120.877 119.070 0.131 0.000 2.638 409 H HA 0.474 5.030 4.556 0.000 0.000 0.317 409 H C 0.129 175.517 175.328 0.100 0.000 1.006 409 H CA -0.372 55.742 56.048 0.110 0.000 1.222 409 H CB 1.466 31.276 29.762 0.080 0.000 1.419 409 H HN 0.899 nan 8.280 nan 0.000 0.489 410 G N 0.769 109.676 108.800 0.178 0.000 3.183 410 G HA2 0.453 4.413 3.960 0.000 0.000 0.247 410 G HA3 0.453 4.413 3.960 0.000 0.000 0.247 410 G C -0.222 174.678 174.900 -0.001 0.000 1.211 410 G CA -0.414 44.729 45.100 0.071 0.000 0.835 410 G HN 0.513 nan 8.290 nan 0.000 0.604 411 G N -0.054 108.589 108.800 -0.261 0.000 4.885 411 G HA2 0.251 4.211 3.960 0.000 0.000 0.263 411 G HA3 0.251 4.211 3.960 0.000 0.000 0.263 411 G C 0.220 174.550 174.900 -0.951 0.000 1.168 411 G CA -0.232 44.336 45.100 -0.886 0.000 0.906 411 G HN 0.276 nan 8.290 nan 0.000 0.575 412 N N 0.840 119.215 118.700 -0.542 0.000 2.609 412 N HA -0.040 4.700 4.740 0.000 0.000 0.190 412 N C 1.415 176.778 175.510 -0.244 0.000 1.157 412 N CA 0.383 53.253 53.050 -0.301 0.000 0.918 412 N CB -0.119 38.292 38.487 -0.126 0.000 0.978 412 N HN 0.650 nan 8.380 nan 0.000 0.448 413 F N -0.235 119.720 119.950 0.008 0.000 2.797 413 F HA 0.287 4.814 4.527 0.000 0.000 0.302 413 F C 0.875 176.680 175.800 0.009 0.000 1.130 413 F CA -0.655 57.351 58.000 0.010 0.000 1.387 413 F CB -0.593 38.417 39.000 0.018 0.000 1.107 413 F HN -0.231 nan 8.300 nan 0.000 0.577 414 Q N 2.347 122.022 119.800 -0.208 0.000 2.553 414 Q HA 0.465 4.805 4.340 0.000 0.000 0.221 414 Q C 0.492 176.474 176.000 -0.031 0.000 1.219 414 Q CA -0.173 55.596 55.803 -0.057 0.000 0.955 414 Q CB 0.576 29.216 28.738 -0.164 0.000 1.399 414 Q HN 0.364 nan 8.270 nan 0.000 0.551 415 A N 3.309 126.144 122.820 0.025 0.000 2.358 415 A HA 0.251 4.571 4.320 0.000 0.000 0.232 415 A C 1.464 179.051 177.584 0.005 0.000 1.498 415 A CA 0.700 52.744 52.037 0.012 0.000 1.400 415 A CB -0.779 18.238 19.000 0.028 0.000 0.852 415 A HN 0.819 nan 8.150 nan 0.000 0.605 416 A N 0.082 122.899 122.820 -0.006 0.000 1.969 416 A HA 0.158 4.478 4.320 0.000 0.000 0.218 416 A C 2.391 179.975 177.584 -0.002 0.000 1.169 416 A CA 1.660 53.695 52.037 -0.003 0.000 0.635 416 A CB -0.565 18.428 19.000 -0.011 0.000 0.810 416 A HN 1.118 nan 8.150 nan 0.000 0.445 417 A N 0.009 122.826 122.820 -0.006 0.000 1.902 417 A HA -0.025 4.295 4.320 0.000 0.000 0.217 417 A C 2.374 179.964 177.584 0.009 0.000 1.181 417 A CA 2.234 54.273 52.037 0.003 0.000 0.623 417 A CB -1.192 17.804 19.000 -0.006 0.000 0.818 417 A HN 1.197 nan 8.150 nan 0.000 0.443 418 V N -2.501 117.415 119.914 0.002 0.000 2.453 418 V HA 0.051 4.171 4.120 0.000 0.000 0.247 418 V C 2.482 178.579 176.094 0.006 0.000 1.048 418 V CA 1.751 64.053 62.300 0.003 0.000 1.049 418 V CB -1.265 30.557 31.823 -0.001 0.000 0.672 418 V HN 0.524 nan 8.190 nan 0.000 0.457 419 A N 0.709 123.533 122.820 0.006 0.000 1.940 419 A HA -0.288 4.032 4.320 0.000 0.000 0.219 419 A C 2.268 179.853 177.584 0.002 0.000 1.176 419 A CA 2.316 54.357 52.037 0.006 0.000 0.631 419 A CB -1.241 17.765 19.000 0.009 0.000 0.814 419 A HN 0.750 nan 8.150 nan 0.000 0.446 420 N N -0.449 118.253 118.700 0.003 0.000 2.120 420 N HA -0.116 4.624 4.740 0.000 0.000 0.188 420 N C 1.185 176.694 175.510 -0.001 0.000 1.024 420 N CA 1.409 54.458 53.050 -0.001 0.000 0.852 420 N CB -0.203 38.286 38.487 0.004 0.000 1.003 420 N HN 0.641 nan 8.380 nan 0.000 0.424 424 K N 1.213 121.593 120.400 -0.034 0.000 2.211 424 K HA 0.060 4.380 4.320 0.000 0.000 0.203 424 K C 1.870 178.445 176.600 -0.041 0.000 1.050 424 K CA 1.768 58.026 56.287 -0.047 0.000 0.945 424 K CB -0.294 32.165 32.500 -0.067 0.000 0.732 424 K HN -0.089 nan 8.250 nan 0.000 0.451 425 T N 1.529 116.064 114.554 -0.031 0.000 2.708 425 T HA -0.134 4.216 4.350 0.000 0.000 0.266 425 T C 1.897 176.583 174.700 -0.023 0.000 1.037 425 T CA 1.464 63.545 62.100 -0.032 0.000 1.146 425 T CB -0.182 68.666 68.868 -0.033 0.000 0.865 425 T HN 0.327 nan 8.240 nan 0.000 0.435 426 R N 0.196 120.686 120.500 -0.017 0.000 2.127 426 R HA -0.077 4.263 4.340 0.000 0.000 0.238 426 R C 2.287 178.584 176.300 -0.006 0.000 1.134 426 R CA 1.067 57.162 56.100 -0.008 0.000 0.975 426 R CB -0.390 29.905 30.300 -0.009 0.000 0.865 426 R HN 0.255 nan 8.270 nan 0.000 0.447 427 L N -0.318 120.894 121.223 -0.018 0.000 2.109 427 L HA 0.085 4.425 4.340 0.000 0.000 0.207 427 L C 2.064 178.923 176.870 -0.018 0.000 1.086 427 L CA 2.119 56.947 54.840 -0.020 0.000 0.760 427 L CB -0.840 41.195 42.059 -0.039 0.000 0.910 427 L HN 0.212 nan 8.230 nan 0.000 0.437 428 G N -0.423 108.360 108.800 -0.029 0.000 2.422 428 G HA2 -0.220 3.740 3.960 0.000 0.000 0.218 428 G HA3 -0.220 3.740 3.960 0.000 0.000 0.218 428 G C 1.590 176.501 174.900 0.018 0.000 1.146 428 G CA 1.007 46.091 45.100 -0.027 0.000 0.769 428 G HN 0.426 nan 8.290 nan 0.000 0.547 429 L N 0.533 121.769 121.223 0.022 0.000 2.141 429 L HA -0.014 4.326 4.340 0.000 0.000 0.209 429 L C 3.333 180.249 176.870 0.076 0.000 1.094 429 L CA 0.844 55.712 54.840 0.048 0.000 0.763 429 L CB -0.282 41.797 42.059 0.033 0.000 0.908 429 L HN 0.312 nan 8.230 nan 0.000 0.437 430 A N -0.754 122.105 122.820 0.066 0.000 1.897 430 A HA -0.170 4.150 4.320 0.000 0.000 0.215 430 A C 2.254 179.927 177.584 0.148 0.000 1.181 430 A CA 0.965 53.056 52.037 0.089 0.000 0.620 430 A CB -0.274 18.765 19.000 0.065 0.000 0.821 430 A HN 0.343 nan 8.150 nan 0.000 0.443 431 Q N -0.054 119.830 119.800 0.141 0.000 2.084 431 Q HA -0.130 4.210 4.340 0.000 0.000 0.202 431 Q C 2.133 178.379 176.000 0.410 0.000 0.978 431 Q CA 1.453 57.408 55.803 0.254 0.000 0.844 431 Q CB -0.479 28.265 28.738 0.011 0.000 0.898 431 Q HN 0.787 nan 8.270 nan 0.000 0.426 432 I N 0.166 120.891 120.570 0.259 0.000 2.179 432 I HA -0.189 3.981 4.170 0.000 0.000 0.242 432 I C 2.391 178.657 176.117 0.249 0.000 1.088 432 I CA 1.218 62.676 61.300 0.263 0.000 1.357 432 I CB -0.838 37.265 38.000 0.170 0.000 1.051 432 I HN 0.211 nan 8.210 nan 0.000 0.409 433 G N 1.071 109.994 108.800 0.205 0.000 2.469 433 G HA2 -0.351 3.609 3.960 0.000 0.000 0.220 433 G HA3 -0.351 3.609 3.960 0.000 0.000 0.220 433 G C 1.674 176.707 174.900 0.222 0.000 1.136 433 G CA 1.284 46.501 45.100 0.194 0.000 0.759 433 G HN 0.232 nan 8.290 nan 0.000 0.562 434 K N -0.037 120.504 120.400 0.236 0.000 2.062 434 K HA 0.080 4.400 4.320 0.000 0.000 0.205 434 K C 2.291 178.982 176.600 0.152 0.000 1.051 434 K CA 0.803 57.231 56.287 0.234 0.000 0.941 434 K CB -0.573 32.087 32.500 0.265 0.000 0.719 434 K HN 0.245 nan 8.250 nan 0.000 0.440 435 L N 1.183 122.472 121.223 0.111 0.000 1.994 435 L HA -0.132 4.208 4.340 0.000 0.000 0.208 435 L C 1.424 178.304 176.870 0.016 0.000 1.071 435 L CA 2.065 56.854 54.840 -0.085 0.000 0.745 435 L CB -0.800 41.246 42.059 -0.022 0.000 0.892 435 L HN 0.327 nan 8.230 nan 0.000 0.431 436 N N -1.541 117.238 118.700 0.131 0.000 2.166 436 N HA -0.231 4.509 4.740 0.000 0.000 0.186 436 N C 1.756 177.261 175.510 -0.008 0.000 1.019 436 N CA 1.318 54.457 53.050 0.148 0.000 0.856 436 N CB -0.326 38.346 38.487 0.308 0.000 0.993 436 N HN 0.384 nan 8.380 nan 0.000 0.426 437 F N 2.116 122.035 119.950 -0.051 0.000 2.134 437 F HA -0.187 4.340 4.527 0.000 0.000 0.299 437 F C 2.490 178.214 175.800 -0.127 0.000 1.097 437 F CA 1.618 59.561 58.000 -0.095 0.000 1.264 437 F CB -0.895 38.083 39.000 -0.038 0.000 1.001 437 F HN 0.016 nan 8.300 nan 0.000 0.479 438 T N -1.868 112.493 114.554 -0.323 0.000 2.915 438 T HA -0.171 4.179 4.350 0.000 0.000 0.269 438 T C 1.736 176.231 174.700 -0.342 0.000 1.071 438 T CA 1.397 63.247 62.100 -0.417 0.000 1.132 438 T CB -0.579 68.158 68.868 -0.218 0.000 0.878 438 T HN 0.501 nan 8.240 nan 0.000 0.479 439 Q N 0.259 119.912 119.800 -0.246 0.000 2.083 439 Q HA 0.097 4.437 4.340 0.000 0.000 0.198 439 Q C 2.281 178.120 176.000 -0.268 0.000 0.969 439 Q CA 1.080 56.785 55.803 -0.164 0.000 0.838 439 Q CB -0.329 28.415 28.738 0.010 0.000 0.900 439 Q HN 0.401 nan 8.270 nan 0.000 0.436 440 L N 0.436 121.367 121.223 -0.487 0.000 1.961 440 L HA -0.171 4.169 4.340 0.000 0.000 0.210 440 L C 2.395 179.053 176.870 -0.354 0.000 1.072 440 L CA 2.244 56.791 54.840 -0.488 0.000 0.749 440 L CB -1.160 40.564 42.059 -0.557 0.000 0.889 440 L HN 0.114 nan 8.230 nan 0.000 0.432 441 T N -0.830 113.423 114.554 -0.501 0.000 2.778 441 T HA -0.198 4.152 4.350 0.000 0.000 0.269 441 T C 1.041 175.570 174.700 -0.285 0.000 1.050 441 T CA 1.071 62.909 62.100 -0.436 0.000 1.137 441 T CB -0.259 68.166 68.868 -0.738 0.000 0.860 441 T HN 0.486 nan 8.240 nan 0.000 0.468 445 N N 1.917 120.568 118.700 -0.081 0.000 2.415 445 N HA 0.388 5.128 4.740 0.000 0.000 0.246 445 N C 1.000 176.476 175.510 -0.056 0.000 1.078 445 N CA 0.776 53.787 53.050 -0.066 0.000 0.942 445 N CB 1.913 40.352 38.487 -0.079 0.000 1.140 445 N HN 0.242 nan 8.380 nan 0.000 0.501 446 A N 3.575 126.371 122.820 -0.041 0.000 1.915 446 A HA -0.095 4.225 4.320 0.000 0.000 0.220 446 A C 1.266 178.824 177.584 -0.043 0.000 1.198 446 A CA 1.828 53.841 52.037 -0.040 0.000 0.647 446 A CB -1.258 17.729 19.000 -0.022 0.000 0.825 446 A HN 0.643 nan 8.150 nan 0.000 0.456 450 R N 0.681 121.154 120.500 -0.045 0.000 3.405 450 R HA -0.145 4.195 4.340 0.000 0.000 0.258 450 R C 0.990 177.261 176.300 -0.049 0.000 1.030 450 R CA 1.287 57.366 56.100 -0.035 0.000 0.691 450 R CB -2.222 28.067 30.300 -0.019 0.000 1.093 450 R HN 1.229 nan 8.270 nan 0.000 0.448 451 G N -1.023 107.737 108.800 -0.066 0.000 2.175 451 G HA2 -0.310 3.651 3.960 0.000 0.000 0.244 451 G HA3 -0.310 3.651 3.960 0.000 0.000 0.244 451 G C 0.260 175.100 174.900 -0.101 0.000 0.982 451 G CA 0.160 45.208 45.100 -0.086 0.000 0.641 451 G HN 0.281 nan 8.290 nan 0.000 0.527 452 L N 2.449 123.614 121.223 -0.097 0.000 2.439 452 L HA 0.335 4.675 4.340 0.000 0.000 0.269 452 L C -1.164 175.647 176.870 -0.098 0.000 1.179 452 L CA -1.832 52.943 54.840 -0.109 0.000 0.828 452 L CB 0.513 42.505 42.059 -0.111 0.000 1.106 452 L HN -0.013 nan 8.230 nan 0.000 0.467 453 P HA -0.057 nan 4.420 nan 0.000 0.265 453 P C 0.521 177.784 177.300 -0.062 0.000 1.193 453 P CA 0.196 63.246 63.100 -0.084 0.000 0.765 453 P CB 1.069 32.720 31.700 -0.082 0.000 0.823 454 S N 2.894 118.561 115.700 -0.054 0.000 2.093 454 S HA -0.286 4.184 4.470 0.000 0.000 0.478 454 S C 1.177 175.765 174.600 -0.020 0.000 0.965 454 S CA 2.082 60.261 58.200 -0.035 0.000 2.887 454 S CB -1.014 62.161 63.200 -0.042 0.000 2.067 454 S HN 0.664 nan 8.310 nan 0.000 0.521 455 C N 1.511 120.808 119.300 -0.005 0.000 2.435 455 C HA 0.554 5.014 4.460 0.000 0.000 0.326 455 C C 0.508 175.514 174.990 0.028 0.000 1.328 455 C CA -0.135 58.900 59.018 0.028 0.000 1.741 455 C CB -1.567 26.230 27.740 0.097 0.000 1.998 455 C HN 0.714 nan 8.230 nan 0.000 0.585 456 L N -0.133 121.093 121.223 0.005 0.000 4.140 456 L HA -0.187 4.153 4.340 0.000 0.000 0.406 456 L C 0.905 177.857 176.870 0.137 0.000 1.175 456 L CA 0.925 55.778 54.840 0.020 0.000 0.939 456 L CB -1.898 40.138 42.059 -0.038 0.000 2.105 456 L HN 0.523 nan 8.230 nan 0.000 0.803 457 A N -0.531 122.334 122.820 0.075 0.000 2.409 457 A HA 0.694 5.014 4.320 0.000 0.000 0.267 457 A C 1.535 179.116 177.584 -0.006 0.000 1.127 457 A CA 0.384 52.450 52.037 0.048 0.000 0.795 457 A CB 0.762 19.733 19.000 -0.049 0.000 1.061 457 A HN 0.750 nan 8.150 nan 0.000 0.502 458 A N 2.077 124.889 122.820 -0.014 0.000 1.969 458 A HA 0.052 4.372 4.320 0.000 0.000 0.218 458 A C 1.253 178.764 177.584 -0.122 0.000 1.169 458 A CA 1.230 53.256 52.037 -0.018 0.000 0.635 458 A CB -0.152 18.889 19.000 0.069 0.000 0.810 458 A HN 0.793 nan 8.150 nan 0.000 0.445 459 E N -0.010 120.077 120.200 -0.188 0.000 2.754 459 E HA 0.239 4.589 4.350 0.000 0.000 0.224 459 E C -1.045 175.486 176.600 -0.115 0.000 0.851 459 E CA -0.883 55.386 56.400 -0.218 0.000 1.047 459 E CB -0.201 29.282 29.700 -0.361 0.000 1.584 459 E HN 0.152 nan 8.360 nan 0.000 0.429 460 D N 1.954 122.315 120.400 -0.065 0.000 2.487 460 D HA 0.011 4.652 4.640 0.000 0.000 0.243 460 D C -1.666 174.569 176.300 -0.110 0.000 1.154 460 D CA -0.916 53.054 54.000 -0.050 0.000 0.876 460 D CB 0.437 41.235 40.800 -0.002 0.000 1.161 460 D HN 0.021 nan 8.370 nan 0.000 0.478 461 P HA -0.104 nan 4.420 nan 0.000 0.230 461 P C 1.175 178.263 177.300 -0.355 0.000 1.158 461 P CA 0.754 63.706 63.100 -0.247 0.000 0.769 461 P CB 0.193 31.794 31.700 -0.164 0.000 0.807 462 S N -1.262 114.324 115.700 -0.191 0.000 2.447 462 S HA -0.037 4.433 4.470 0.000 0.000 0.233 462 S C 1.245 175.779 174.600 -0.110 0.000 1.006 462 S CA 0.900 59.024 58.200 -0.127 0.000 0.957 462 S CB -0.603 62.569 63.200 -0.047 0.000 0.773 462 S HN -0.007 nan 8.310 nan 0.000 0.507 463 L N 1.108 122.244 121.223 -0.145 0.000 3.366 463 L HA 0.520 4.860 4.340 0.000 0.000 0.304 463 L C -0.020 176.803 176.870 -0.077 0.000 1.292 463 L CA 0.213 55.032 54.840 -0.036 0.000 1.012 463 L CB -0.045 42.028 42.059 0.023 0.000 1.414 463 L HN 0.346 nan 8.230 nan 0.000 0.603 464 S N -0.400 115.106 115.700 -0.325 0.000 2.649 464 S HA 0.541 5.011 4.470 0.000 0.000 0.274 464 S C -1.129 173.226 174.600 -0.408 0.000 1.176 464 S CA -0.140 57.941 58.200 -0.200 0.000 0.988 464 S CB 0.708 63.834 63.200 -0.123 0.000 1.071 464 S HN 0.193 nan 8.310 nan 0.000 0.478 465 Y N 4.313 124.650 120.300 0.061 0.000 2.634 465 Y HA 0.336 4.886 4.550 0.000 0.000 0.292 465 Y C 1.452 177.429 175.900 0.128 0.000 0.996 465 Y CA -0.567 57.575 58.100 0.070 0.000 1.165 465 Y CB -0.505 37.979 38.460 0.039 0.000 1.194 465 Y HN 0.938 nan 8.280 nan 0.000 0.585 466 H N -0.096 119.040 119.070 0.110 0.000 2.153 466 H HA -0.364 4.192 4.556 0.000 0.000 0.230 466 H C 0.687 176.097 175.328 0.136 0.000 1.121 466 H CA 2.264 58.383 56.048 0.117 0.000 1.439 466 H CB -0.037 29.781 29.762 0.094 0.000 1.749 466 H HN 0.441 nan 8.280 nan 0.000 0.752 467 C N 1.268 120.609 119.300 0.067 0.000 2.525 467 C HA 0.154 4.614 4.460 0.000 0.000 0.313 467 C C 2.146 177.156 174.990 0.033 0.000 1.311 467 C CA -0.407 58.601 59.018 -0.017 0.000 1.725 467 C CB -0.855 26.817 27.740 -0.113 0.000 1.926 467 C HN 0.528 nan 8.230 nan 0.000 0.595 468 K N 1.917 122.368 120.400 0.085 0.000 2.026 468 K HA -0.103 4.217 4.320 0.000 0.000 0.208 468 K C 2.183 178.795 176.600 0.020 0.000 1.048 468 K CA 1.888 58.213 56.287 0.063 0.000 0.929 468 K CB -0.385 32.177 32.500 0.104 0.000 0.713 468 K HN 0.527 nan 8.250 nan 0.000 0.439 469 G N 1.275 110.087 108.800 0.021 0.000 2.418 469 G HA2 -0.237 3.723 3.960 0.000 0.000 0.217 469 G HA3 -0.237 3.723 3.960 0.000 0.000 0.217 469 G C 1.479 176.359 174.900 -0.033 0.000 1.158 469 G CA 0.725 45.818 45.100 -0.013 0.000 0.771 469 G HN 0.232 nan 8.290 nan 0.000 0.545 470 L N 0.353 121.565 121.223 -0.018 0.000 2.187 470 L HA -0.084 4.256 4.340 0.000 0.000 0.213 470 L C 2.459 179.310 176.870 -0.031 0.000 1.100 470 L CA 1.409 56.232 54.840 -0.028 0.000 0.765 470 L CB -0.291 41.770 42.059 0.003 0.000 0.904 470 L HN 0.288 nan 8.230 nan 0.000 0.437 471 D N 0.418 120.809 120.400 -0.015 0.000 2.117 471 D HA -0.179 4.461 4.640 0.000 0.000 0.198 471 D C 2.151 178.466 176.300 0.025 0.000 0.982 471 D CA 1.094 55.098 54.000 0.007 0.000 0.828 471 D CB 0.082 40.879 40.800 -0.004 0.000 0.967 471 D HN 0.267 nan 8.370 nan 0.000 0.464 472 I N 0.266 120.818 120.570 -0.030 0.000 2.439 472 I HA -0.125 4.045 4.170 0.000 0.000 0.251 472 I C 2.365 178.376 176.117 -0.178 0.000 1.139 472 I CA 0.797 62.057 61.300 -0.067 0.000 1.438 472 I CB -0.198 37.761 38.000 -0.069 0.000 1.085 472 I HN 0.074 nan 8.210 nan 0.000 0.427 473 A N 0.740 123.409 122.820 -0.251 0.000 1.968 473 A HA -0.026 4.294 4.320 0.000 0.000 0.217 473 A C 2.548 179.612 177.584 -0.866 0.000 1.169 473 A CA 1.441 53.138 52.037 -0.566 0.000 0.638 473 A CB -0.589 18.130 19.000 -0.468 0.000 0.812 473 A HN 0.389 nan 8.150 nan 0.000 0.446 474 A N 0.151 122.754 122.820 -0.362 0.000 1.877 474 A HA 0.146 4.466 4.320 0.000 0.000 0.216 474 A C 2.507 179.925 177.584 -0.276 0.000 1.186 474 A CA 2.065 54.032 52.037 -0.116 0.000 0.620 474 A CB -1.052 18.106 19.000 0.264 0.000 0.822 474 A HN 1.031 nan 8.150 nan 0.000 0.443 475 A N -0.155 122.485 122.820 -0.299 0.000 1.908 475 A HA 0.126 4.446 4.320 0.000 0.000 0.218 475 A C 2.497 179.819 177.584 -0.437 0.000 1.181 475 A CA 2.202 53.854 52.037 -0.642 0.000 0.627 475 A CB -1.001 17.837 19.000 -0.268 0.000 0.818 475 A HN 1.084 nan 8.150 nan 0.000 0.445 476 A N -1.244 121.364 122.820 -0.352 0.000 1.933 476 A HA -0.088 4.232 4.320 0.000 0.000 0.218 476 A C 2.103 179.630 177.584 -0.094 0.000 1.175 476 A CA 1.394 53.291 52.037 -0.235 0.000 0.628 476 A CB -0.832 18.026 19.000 -0.238 0.000 0.814 476 A HN 0.697 nan 8.150 nan 0.000 0.444 477 Y N -0.051 120.180 120.300 -0.116 0.000 2.242 477 Y HA -0.153 4.397 4.550 0.000 0.000 0.291 477 Y C 2.876 178.718 175.900 -0.098 0.000 1.137 477 Y CA 0.965 59.017 58.100 -0.081 0.000 1.181 477 Y CB -0.461 37.974 38.460 -0.042 0.000 0.989 477 Y HN 0.269 nan 8.280 nan 0.000 0.527 478 T N -0.895 113.623 114.554 -0.060 0.000 2.867 478 T HA -0.144 4.206 4.350 0.000 0.000 0.268 478 T C 2.030 176.669 174.700 -0.103 0.000 1.057 478 T CA 1.341 63.362 62.100 -0.131 0.000 1.136 478 T CB -0.238 68.379 68.868 -0.418 0.000 0.874 478 T HN 0.235 nan 8.240 nan 0.000 0.466 479 S N 0.981 116.602 115.700 -0.131 0.000 2.355 479 S HA -0.101 4.369 4.470 0.000 0.000 0.222 479 S C 2.064 176.663 174.600 -0.001 0.000 1.031 479 S CA 1.075 59.231 58.200 -0.073 0.000 0.993 479 S CB -0.258 62.887 63.200 -0.091 0.000 0.859 479 S HN 0.588 nan 8.310 nan 0.000 0.453 480 E N 0.845 121.054 120.200 0.014 0.000 2.097 480 E HA -0.159 4.191 4.350 0.000 0.000 0.196 480 E C 1.933 178.580 176.600 0.078 0.000 1.000 480 E CA 1.008 57.437 56.400 0.048 0.000 0.804 480 E CB -0.175 29.559 29.700 0.056 0.000 0.740 480 E HN 0.404 nan 8.360 nan 0.000 0.454 481 L N -0.295 120.965 121.223 0.063 0.000 2.083 481 L HA -0.105 4.236 4.340 0.000 0.000 0.209 481 L C 2.526 179.433 176.870 0.062 0.000 1.083 481 L CA 1.056 55.933 54.840 0.062 0.000 0.752 481 L CB -0.562 41.535 42.059 0.063 0.000 0.899 481 L HN 0.305 nan 8.230 nan 0.000 0.433 482 G N -1.231 107.606 108.800 0.062 0.000 2.421 482 G HA2 -0.323 3.637 3.960 0.000 0.000 0.216 482 G HA3 -0.323 3.637 3.960 0.000 0.000 0.216 482 G C 1.538 176.481 174.900 0.071 0.000 1.171 482 G CA 0.771 45.908 45.100 0.060 0.000 0.775 482 G HN 0.444 nan 8.290 nan 0.000 0.543 483 H N 0.499 119.571 119.070 0.003 0.000 2.456 483 H HA 0.120 4.676 4.556 0.000 0.000 0.296 483 H C 2.467 177.798 175.328 0.004 0.000 1.079 483 H CA 0.917 56.967 56.048 0.002 0.000 1.322 483 H CB -0.049 29.710 29.762 -0.005 0.000 1.388 483 H HN 0.305 nan 8.280 nan 0.000 0.538 484 L N 0.326 121.571 121.223 0.038 0.000 2.156 484 L HA -0.054 4.286 4.340 0.000 0.000 0.208 484 L C 2.941 179.776 176.870 -0.058 0.000 1.095 484 L CA 0.809 55.641 54.840 -0.013 0.000 0.770 484 L CB -0.391 41.696 42.059 0.047 0.000 0.914 484 L HN 0.262 nan 8.230 nan 0.000 0.439 485 A N -0.455 122.345 122.820 -0.034 0.000 2.178 485 A HA -0.108 4.212 4.320 0.000 0.000 0.218 485 A C 0.921 178.477 177.584 -0.047 0.000 1.157 485 A CA 0.563 52.583 52.037 -0.028 0.000 0.689 485 A CB -0.706 18.291 19.000 -0.005 0.000 0.787 485 A HN 0.407 nan 8.150 nan 0.000 0.465 486 N N 1.116 119.764 118.700 -0.086 0.000 2.416 486 N HA 0.154 4.894 4.740 0.000 0.000 0.246 486 N C -2.569 172.921 175.510 -0.033 0.000 1.260 486 N CA -0.747 52.263 53.050 -0.066 0.000 0.897 486 N CB 0.057 38.483 38.487 -0.102 0.000 1.110 486 N HN 0.271 nan 8.380 nan 0.000 0.439 487 P HA 0.076 nan 4.420 nan 0.000 0.275 487 P C 0.397 177.742 177.300 0.075 0.000 1.228 487 P CA -0.244 62.862 63.100 0.010 0.000 0.786 487 P CB 1.140 32.833 31.700 -0.012 0.000 0.927 488 V N 1.808 121.763 119.914 0.068 0.000 2.949 488 V HA -0.085 4.035 4.120 0.000 0.000 0.245 488 V C 2.436 178.607 176.094 0.127 0.000 1.086 488 V CA 2.078 64.450 62.300 0.119 0.000 1.097 488 V CB -1.074 30.778 31.823 0.048 0.000 0.762 488 V HN 0.678 nan 8.190 nan 0.000 0.470 489 T N -1.540 113.044 114.554 0.049 0.000 3.098 489 T HA -0.143 4.207 4.350 0.000 0.000 0.266 489 T C 1.547 176.231 174.700 -0.026 0.000 1.145 489 T CA 1.445 63.556 62.100 0.018 0.000 1.092 489 T CB -0.625 68.243 68.868 0.001 0.000 0.908 489 T HN 0.583 nan 8.240 nan 0.000 0.526 490 T N -1.240 113.254 114.554 -0.099 0.000 3.129 490 T HA 0.057 4.407 4.350 0.000 0.000 0.251 490 T C 0.889 175.354 174.700 -0.391 0.000 1.117 490 T CA 0.022 61.977 62.100 -0.243 0.000 1.034 490 T CB -0.421 68.249 68.868 -0.330 0.000 0.968 490 T HN 0.527 nan 8.240 nan 0.000 0.526 491 H N 0.793 119.858 119.070 -0.008 0.000 2.469 491 H HA 0.381 4.937 4.556 0.000 0.000 0.286 491 H C 0.024 175.352 175.328 0.001 0.000 1.106 491 H CA -0.478 55.567 56.048 -0.005 0.000 1.055 491 H CB 0.198 29.956 29.762 -0.007 0.000 1.618 491 H HN 0.248 nan 8.280 nan 0.000 0.559 492 V N 2.800 122.750 119.914 0.060 0.000 2.599 492 V HA -0.061 4.059 4.120 0.000 0.000 0.300 492 V C 0.654 176.775 176.094 0.044 0.000 1.034 492 V CA 0.320 62.648 62.300 0.047 0.000 1.115 492 V CB 0.906 32.743 31.823 0.024 0.000 0.934 492 V HN 0.322 nan 8.190 nan 0.000 0.485 493 Q N 5.536 125.363 119.800 0.045 0.000 2.241 493 Q HA 0.423 4.763 4.340 0.000 0.000 0.262 493 Q C -2.454 173.564 176.000 0.031 0.000 1.014 493 Q CA -2.357 53.468 55.803 0.037 0.000 0.885 493 Q CB 1.298 30.058 28.738 0.038 0.000 1.311 493 Q HN 0.422 nan 8.270 nan 0.000 0.461 494 P HA 0.193 nan 4.420 nan 0.000 0.252 494 P C -1.022 176.292 177.300 0.024 0.000 1.727 494 P CA 0.040 63.154 63.100 0.024 0.000 1.134 494 P CB -0.009 31.702 31.700 0.019 0.000 1.876 495 A N 2.408 125.245 122.820 0.028 0.000 2.366 495 A HA 0.314 4.634 4.320 0.000 0.000 0.249 495 A C 0.694 178.291 177.584 0.023 0.000 1.084 495 A CA -0.170 51.883 52.037 0.027 0.000 0.794 495 A CB -0.166 18.852 19.000 0.031 0.000 1.034 495 A HN 0.556 nan 8.150 nan 0.000 0.491 499 N N 0.462 119.172 118.700 0.018 0.000 2.415 499 N HA -0.011 4.729 4.740 0.000 0.000 0.176 499 N C 0.398 175.930 175.510 0.037 0.000 1.042 499 N CA 0.722 53.785 53.050 0.021 0.000 0.902 499 N CB 0.189 38.682 38.487 0.010 0.000 0.986 499 N HN 0.699 nan 8.380 nan 0.000 0.447 500 Q N 0.121 119.943 119.800 0.037 0.000 2.462 500 Q HA 0.417 4.757 4.340 0.000 0.000 0.395 500 Q C 0.445 176.475 176.000 0.049 0.000 0.911 500 Q CA -0.377 55.458 55.803 0.054 0.000 1.112 500 Q CB 1.013 29.779 28.738 0.047 0.000 1.350 500 Q HN 0.154 nan 8.270 nan 0.000 0.407 501 A N 0.545 123.391 122.820 0.043 0.000 2.076 501 A HA -0.036 4.284 4.320 0.000 0.000 0.220 501 A C 1.047 178.652 177.584 0.034 0.000 1.160 501 A CA 1.003 53.060 52.037 0.033 0.000 0.653 501 A CB 0.108 19.124 19.000 0.027 0.000 0.801 501 A HN 0.320 nan 8.150 nan 0.000 0.455 502 V N -0.456 119.485 119.914 0.045 0.000 2.482 502 V HA 0.639 4.760 4.120 0.000 0.000 0.295 502 V C -1.322 174.808 176.094 0.059 0.000 1.026 502 V CA -0.899 61.426 62.300 0.041 0.000 0.856 502 V CB 0.923 32.764 31.823 0.031 0.000 1.001 502 V HN 0.513 nan 8.190 nan 0.000 0.424 503 N N 2.106 120.839 118.700 0.053 0.000 2.229 503 N HA 0.524 5.264 4.740 0.000 0.000 0.298 503 N C 0.760 176.300 175.510 0.050 0.000 1.114 503 N CA -0.266 52.823 53.050 0.066 0.000 0.776 503 N CB 2.055 40.581 38.487 0.065 0.000 1.501 503 N HN 0.539 nan 8.380 nan 0.000 0.474 504 S N 1.528 117.259 115.700 0.052 0.000 2.387 504 S HA -0.060 4.410 4.470 0.000 0.000 0.226 504 S C 0.935 175.554 174.600 0.032 0.000 1.026 504 S CA 0.586 58.807 58.200 0.036 0.000 0.972 504 S CB -0.760 62.461 63.200 0.034 0.000 0.814 504 S HN 0.646 nan 8.310 nan 0.000 0.477 505 L N -0.497 120.748 121.223 0.037 0.000 4.291 505 L HA -0.276 4.064 4.340 0.000 0.000 0.413 505 L C 1.787 178.671 176.870 0.023 0.000 1.162 505 L CA 0.121 54.979 54.840 0.031 0.000 0.961 505 L CB -2.431 39.649 42.059 0.036 0.000 2.095 505 L HN 0.492 nan 8.230 nan 0.000 0.838 506 A N 0.246 123.079 122.820 0.023 0.000 1.873 506 A HA -0.228 4.092 4.320 0.000 0.000 0.218 506 A C 1.899 179.489 177.584 0.011 0.000 1.193 506 A CA 2.228 54.275 52.037 0.016 0.000 0.629 506 A CB -0.256 18.755 19.000 0.018 0.000 0.826 506 A HN 0.436 nan 8.150 nan 0.000 0.447 507 L N 0.016 121.246 121.223 0.012 0.000 2.042 507 L HA -0.144 4.196 4.340 0.000 0.000 0.210 507 L C 2.269 179.139 176.870 0.001 0.000 1.076 507 L CA 1.813 56.656 54.840 0.004 0.000 0.749 507 L CB -0.426 41.635 42.059 0.003 0.000 0.893 507 L HN 0.473 nan 8.230 nan 0.000 0.432 508 I N -1.530 119.042 120.570 0.003 0.000 2.226 508 I HA -0.294 3.876 4.170 0.000 0.000 0.245 508 I C 2.644 178.761 176.117 0.000 0.000 1.100 508 I CA 1.459 62.759 61.300 0.000 0.000 1.374 508 I CB -0.539 37.463 38.000 0.003 0.000 1.057 508 I HN 0.330 nan 8.210 nan 0.000 0.413 509 S N 0.606 116.309 115.700 0.005 0.000 2.356 509 S HA -0.187 4.284 4.470 0.000 0.000 0.223 509 S C 2.233 176.833 174.600 0.000 0.000 1.032 509 S CA 1.488 59.690 58.200 0.004 0.000 1.005 509 S CB -0.206 62.998 63.200 0.007 0.000 0.867 509 S HN 0.477 nan 8.310 nan 0.000 0.449 510 A N 1.631 124.451 122.820 0.000 0.000 1.908 510 A HA -0.099 4.221 4.320 0.000 0.000 0.218 510 A C 2.222 179.805 177.584 -0.002 0.000 1.181 510 A CA 1.523 53.559 52.037 -0.001 0.000 0.627 510 A CB -0.624 18.375 19.000 -0.002 0.000 0.818 510 A HN 0.619 nan 8.150 nan 0.000 0.445 511 R N -1.113 119.385 120.500 -0.004 0.000 2.081 511 R HA -0.075 4.265 4.340 0.000 0.000 0.235 511 R C 2.345 178.643 176.300 -0.003 0.000 1.131 511 R CA 1.241 57.337 56.100 -0.006 0.000 0.960 511 R CB -0.248 30.046 30.300 -0.011 0.000 0.856 511 R HN 0.305 nan 8.270 nan 0.000 0.436 512 R N -0.078 120.421 120.500 -0.002 0.000 2.092 512 R HA -0.026 4.314 4.340 0.000 0.000 0.231 512 R C 2.120 178.422 176.300 0.003 0.000 1.119 512 R CA 1.437 57.537 56.100 0.001 0.000 0.970 512 R CB -0.842 29.455 30.300 -0.004 0.000 0.864 512 R HN 0.244 nan 8.270 nan 0.000 0.440 513 T N 0.453 115.008 114.554 0.001 0.000 2.821 513 T HA -0.071 4.279 4.350 0.000 0.000 0.267 513 T C 1.763 176.468 174.700 0.007 0.000 1.046 513 T CA 1.638 63.739 62.100 0.003 0.000 1.139 513 T CB -0.183 68.684 68.868 -0.002 0.000 0.871 513 T HN 0.259 nan 8.240 nan 0.000 0.454 514 T N 1.528 116.086 114.554 0.007 0.000 2.788 514 T HA -0.095 4.255 4.350 0.000 0.000 0.268 514 T C 1.915 176.623 174.700 0.014 0.000 1.044 514 T CA 1.208 63.315 62.100 0.010 0.000 1.139 514 T CB -0.167 68.704 68.868 0.005 0.000 0.867 514 T HN 0.523 nan 8.240 nan 0.000 0.454 515 E N 0.417 120.624 120.200 0.011 0.000 2.106 515 E HA -0.097 4.253 4.350 0.000 0.000 0.192 515 E C 2.363 178.972 176.600 0.015 0.000 0.984 515 E CA 0.958 57.365 56.400 0.012 0.000 0.806 515 E CB -0.006 29.700 29.700 0.010 0.000 0.750 515 E HN 0.309 nan 8.360 nan 0.000 0.458 516 S N 0.886 116.597 115.700 0.018 0.000 2.359 516 S HA -0.156 4.314 4.470 0.000 0.000 0.224 516 S C 1.671 176.287 174.600 0.027 0.000 1.035 516 S CA 1.070 59.283 58.200 0.023 0.000 1.018 516 S CB -0.381 62.833 63.200 0.023 0.000 0.876 516 S HN 0.324 nan 8.310 nan 0.000 0.448 517 N N 1.441 120.157 118.700 0.027 0.000 2.060 517 N HA -0.162 4.578 4.740 0.000 0.000 0.195 517 N C 1.469 177.009 175.510 0.050 0.000 1.028 517 N CA 1.549 54.621 53.050 0.036 0.000 0.861 517 N CB -0.756 37.751 38.487 0.032 0.000 1.029 517 N HN 0.393 nan 8.380 nan 0.000 0.428 518 D N 0.168 120.598 120.400 0.051 0.000 2.097 518 D HA -0.069 4.571 4.640 0.000 0.000 0.195 518 D C 1.935 178.264 176.300 0.049 0.000 0.989 518 D CA 0.616 54.669 54.000 0.089 0.000 0.827 518 D CB -0.031 40.813 40.800 0.074 0.000 0.966 518 D HN -0.022 nan 8.370 nan 0.000 0.456 519 V N 0.644 120.547 119.914 -0.019 0.000 2.358 519 V HA -0.154 3.966 4.120 0.000 0.000 0.246 519 V C 2.559 178.606 176.094 -0.079 0.000 1.047 519 V CA 1.012 63.247 62.300 -0.108 0.000 1.035 519 V CB -0.412 31.378 31.823 -0.055 0.000 0.658 519 V HN 0.369 nan 8.190 nan 0.000 0.452 520 L N -0.472 120.760 121.223 0.015 0.000 2.201 520 L HA -0.137 4.203 4.340 0.000 0.000 0.212 520 L C 2.449 179.366 176.870 0.079 0.000 1.105 520 L CA 1.400 56.277 54.840 0.062 0.000 0.775 520 L CB -0.168 41.936 42.059 0.075 0.000 0.913 520 L HN 0.388 nan 8.230 nan 0.000 0.440 521 S N -0.031 115.720 115.700 0.086 0.000 2.371 521 S HA -0.115 4.355 4.470 0.000 0.000 0.224 521 S C 1.859 176.571 174.600 0.185 0.000 1.029 521 S CA 0.914 59.213 58.200 0.165 0.000 0.978 521 S CB -0.100 63.237 63.200 0.228 0.000 0.833 521 S HN 0.337 nan 8.310 nan 0.000 0.466 522 L N 0.906 122.115 121.223 -0.023 0.000 1.994 522 L HA -0.133 4.207 4.340 0.000 0.000 0.208 522 L C 2.417 179.266 176.870 -0.034 0.000 1.071 522 L CA 0.908 55.576 54.840 -0.285 0.000 0.745 522 L CB -0.643 40.840 42.059 -0.959 0.000 0.892 522 L HN 0.290 nan 8.230 nan 0.000 0.431 523 L N -0.051 121.196 121.223 0.039 0.000 2.012 523 L HA -0.226 4.114 4.340 0.000 0.000 0.210 523 L C 2.294 179.331 176.870 0.279 0.000 1.073 523 L CA 1.854 56.898 54.840 0.340 0.000 0.748 523 L CB -0.541 41.706 42.059 0.313 0.000 0.891 523 L HN 0.121 nan 8.230 nan 0.000 0.431 524 L N -0.748 120.608 121.223 0.222 0.000 2.141 524 L HA -0.107 4.233 4.340 0.000 0.000 0.209 524 L C 2.591 179.594 176.870 0.221 0.000 1.094 524 L CA 0.936 55.912 54.840 0.226 0.000 0.763 524 L CB -0.885 41.274 42.059 0.166 0.000 0.908 524 L HN 0.415 nan 8.230 nan 0.000 0.437 525 A N -0.467 122.483 122.820 0.217 0.000 1.968 525 A HA -0.138 4.182 4.320 0.000 0.000 0.217 525 A C 2.331 180.060 177.584 0.241 0.000 1.169 525 A CA 1.937 54.108 52.037 0.223 0.000 0.638 525 A CB -0.590 18.559 19.000 0.249 0.000 0.812 525 A HN 0.330 nan 8.150 nan 0.000 0.446 526 T N -1.329 113.375 114.554 0.250 0.000 2.812 526 T HA -0.111 4.239 4.350 0.000 0.000 0.264 526 T C 1.973 176.856 174.700 0.305 0.000 1.042 526 T CA 1.511 63.763 62.100 0.254 0.000 1.140 526 T CB -0.410 68.607 68.868 0.249 0.000 0.870 526 T HN 0.646 nan 8.240 nan 0.000 0.445 527 H N 1.300 120.471 119.070 0.168 0.000 2.321 527 H HA 0.039 4.595 4.556 0.000 0.000 0.300 527 H C 2.186 177.580 175.328 0.110 0.000 1.087 527 H CA 0.957 57.078 56.048 0.122 0.000 1.319 527 H CB -0.737 29.092 29.762 0.111 0.000 1.379 527 H HN 0.156 nan 8.280 nan 0.000 0.501 528 L N 0.037 121.380 121.223 0.199 0.000 2.017 528 L HA -0.218 4.122 4.340 0.000 0.000 0.208 528 L C 2.230 179.184 176.870 0.139 0.000 1.073 528 L CA 2.074 56.971 54.840 0.095 0.000 0.745 528 L CB -1.173 40.951 42.059 0.109 0.000 0.894 528 L HN 0.333 nan 8.230 nan 0.000 0.432 529 Y N 0.151 120.507 120.300 0.094 0.000 2.207 529 Y HA -0.305 4.245 4.550 0.000 0.000 0.287 529 Y C 2.756 178.690 175.900 0.056 0.000 1.156 529 Y CA 2.240 60.385 58.100 0.076 0.000 1.182 529 Y CB -0.521 37.987 38.460 0.081 0.000 0.979 529 Y HN 0.283 nan 8.280 nan 0.000 0.521 530 C N -0.803 118.575 119.300 0.130 0.000 2.476 530 C HA -0.118 4.342 4.460 0.000 0.000 0.278 530 C C 2.850 177.817 174.990 -0.039 0.000 1.274 530 C CA 1.025 60.049 59.018 0.010 0.000 1.713 530 C CB -1.294 26.508 27.740 0.104 0.000 2.039 530 C HN 0.623 nan 8.230 nan 0.000 0.484 531 V N 0.559 120.494 119.914 0.035 0.000 2.332 531 V HA -0.226 3.894 4.120 0.000 0.000 0.248 531 V C 2.170 178.234 176.094 -0.051 0.000 1.055 531 V CA 2.020 64.311 62.300 -0.014 0.000 1.038 531 V CB -1.256 30.545 31.823 -0.036 0.000 0.651 531 V HN 0.571 nan 8.190 nan 0.000 0.450 532 L N -0.602 120.598 121.223 -0.037 0.000 2.043 532 L HA -0.201 4.139 4.340 0.000 0.000 0.212 532 L C 3.092 179.956 176.870 -0.010 0.000 1.075 532 L CA 2.136 56.987 54.840 0.017 0.000 0.752 532 L CB -0.845 41.187 42.059 -0.045 0.000 0.891 532 L HN 0.382 nan 8.230 nan 0.000 0.432 533 Q N -0.330 119.394 119.800 -0.127 0.000 2.167 533 Q HA -0.148 4.192 4.340 0.000 0.000 0.202 533 Q C 2.314 178.262 176.000 -0.087 0.000 0.970 533 Q CA 1.665 57.413 55.803 -0.093 0.000 0.855 533 Q CB -0.049 28.601 28.738 -0.146 0.000 0.911 533 Q HN 0.545 nan 8.270 nan 0.000 0.438 534 A N 1.301 124.052 122.820 -0.115 0.000 1.873 534 A HA -0.144 4.176 4.320 0.000 0.000 0.215 534 A C 2.026 179.469 177.584 -0.234 0.000 1.186 534 A CA 1.362 53.306 52.037 -0.155 0.000 0.616 534 A CB -0.798 18.116 19.000 -0.144 0.000 0.823 534 A HN 0.524 nan 8.150 nan 0.000 0.442 535 I N -2.854 117.572 120.570 -0.241 0.000 2.394 535 I HA -0.161 4.009 4.170 0.000 0.000 0.251 535 I C 1.368 177.355 176.117 -0.216 0.000 1.136 535 I CA 2.055 63.123 61.300 -0.387 0.000 1.425 535 I CB -0.543 37.264 38.000 -0.322 0.000 1.079 535 I HN 0.044 nan 8.210 nan 0.000 0.425 536 D N 1.422 121.773 120.400 -0.081 0.000 2.144 536 D HA -0.082 4.558 4.640 0.000 0.000 0.200 536 D C 2.177 178.301 176.300 -0.294 0.000 0.978 536 D CA 1.152 55.111 54.000 -0.068 0.000 0.833 536 D CB -0.017 40.807 40.800 0.041 0.000 0.961 536 D HN 0.303 nan 8.370 nan 0.000 0.470 537 L N 0.479 121.542 121.223 -0.266 0.000 2.093 537 L HA -0.071 4.269 4.340 0.000 0.000 0.208 537 L C 2.321 179.027 176.870 -0.273 0.000 1.085 537 L CA 1.125 55.800 54.840 -0.275 0.000 0.755 537 L CB -0.589 41.356 42.059 -0.190 0.000 0.904 537 L HN -0.114 nan 8.230 nan 0.000 0.435 538 R N -0.154 120.152 120.500 -0.324 0.000 2.115 538 R HA -0.027 4.313 4.340 0.000 0.000 0.230 538 R C 2.182 178.220 176.300 -0.437 0.000 1.111 538 R CA 1.329 57.169 56.100 -0.433 0.000 0.976 538 R CB -0.496 29.398 30.300 -0.676 0.000 0.870 538 R HN 0.299 nan 8.270 nan 0.000 0.445 539 A N 0.966 123.646 122.820 -0.232 0.000 1.877 539 A HA -0.132 4.188 4.320 0.000 0.000 0.216 539 A C 2.002 179.540 177.584 -0.076 0.000 1.186 539 A CA 1.490 53.447 52.037 -0.132 0.000 0.620 539 A CB -0.565 18.511 19.000 0.126 0.000 0.822 539 A HN 0.268 nan 8.150 nan 0.000 0.443 540 I N 0.098 120.593 120.570 -0.125 0.000 2.091 540 I HA -0.282 3.889 4.170 0.000 0.000 0.239 540 I C 2.493 178.637 176.117 0.045 0.000 1.061 540 I CA 2.127 63.381 61.300 -0.077 0.000 1.317 540 I CB -1.509 36.350 38.000 -0.235 0.000 1.031 540 I HN 0.622 nan 8.210 nan 0.000 0.401 541 E N 0.374 120.567 120.200 -0.013 0.000 2.130 541 E HA -0.265 4.085 4.350 0.000 0.000 0.196 541 E C 2.311 179.106 176.600 0.326 0.000 0.998 541 E CA 1.474 57.928 56.400 0.089 0.000 0.806 541 E CB -0.100 29.612 29.700 0.020 0.000 0.738 541 E HN 0.284 nan 8.360 nan 0.000 0.459 542 F N 1.086 121.004 119.950 -0.054 0.000 2.146 542 F HA -0.050 4.477 4.527 0.000 0.000 0.298 542 F C 2.411 178.227 175.800 0.027 0.000 1.096 542 F CA 1.200 59.129 58.000 -0.118 0.000 1.275 542 F CB -0.784 37.862 39.000 -0.590 0.000 1.008 542 F HN 0.061 nan 8.300 nan 0.000 0.480 543 E N -0.446 119.918 120.200 0.273 0.000 2.204 543 E HA -0.193 4.157 4.350 0.000 0.000 0.194 543 E C 2.003 178.746 176.600 0.240 0.000 0.989 543 E CA 0.731 57.285 56.400 0.257 0.000 0.824 543 E CB -0.538 29.305 29.700 0.238 0.000 0.756 543 E HN 0.325 nan 8.360 nan 0.000 0.477 544 F N 1.096 121.111 119.950 0.109 0.000 2.094 544 F HA -0.013 4.514 4.527 0.000 0.000 0.291 544 F C 1.823 177.699 175.800 0.126 0.000 1.109 544 F CA 1.355 59.408 58.000 0.089 0.000 1.221 544 F CB -0.111 38.924 39.000 0.058 0.000 1.014 544 F HN -0.163 nan 8.300 nan 0.000 0.473 545 K N 0.361 121.055 120.400 0.490 0.000 2.173 545 K HA -0.279 4.042 4.320 0.000 0.000 0.207 545 K C 2.144 178.824 176.600 0.132 0.000 1.046 545 K CA 1.789 58.275 56.287 0.332 0.000 0.929 545 K CB -0.293 32.347 32.500 0.233 0.000 0.720 545 K HN 0.275 nan 8.250 nan 0.000 0.453 546 K N 0.842 121.299 120.400 0.096 0.000 2.147 546 K HA -0.173 4.147 4.320 0.000 0.000 0.205 546 K C 1.879 178.483 176.600 0.006 0.000 1.049 546 K CA 1.374 57.690 56.287 0.048 0.000 0.936 546 K CB 0.201 32.748 32.500 0.078 0.000 0.722 546 K HN 0.229 nan 8.250 nan 0.000 0.446 547 Q N -1.654 118.125 119.800 -0.035 0.000 2.394 547 Q HA 0.008 4.348 4.340 0.000 0.000 0.218 547 Q C 1.528 177.469 176.000 -0.098 0.000 0.907 547 Q CA 0.205 55.961 55.803 -0.078 0.000 0.919 547 Q CB 0.176 28.851 28.738 -0.105 0.000 1.051 547 Q HN 0.183 nan 8.270 nan 0.000 0.538 548 F N 1.292 121.024 119.950 -0.365 0.000 2.367 548 F HA 0.080 4.607 4.527 0.000 0.000 0.298 548 F C 1.965 177.702 175.800 -0.105 0.000 1.094 548 F CA 1.225 59.021 58.000 -0.340 0.000 1.409 548 F CB -0.382 38.281 39.000 -0.562 0.000 1.064 548 F HN 0.024 nan 8.300 nan 0.000 0.528 549 G N 0.850 109.626 108.800 -0.041 0.000 2.491 549 G HA2 -0.244 3.716 3.960 0.000 0.000 0.218 549 G HA3 -0.244 3.716 3.960 0.000 0.000 0.218 549 G C -0.604 174.217 174.900 -0.132 0.000 1.180 549 G CA 0.969 46.029 45.100 -0.066 0.000 0.774 549 G HN 0.279 nan 8.290 nan 0.000 0.562 550 P HA 0.053 nan 4.420 nan 0.000 0.216 550 P C 2.260 179.475 177.300 -0.143 0.000 1.153 550 P CA 1.762 64.802 63.100 -0.099 0.000 0.844 550 P CB -0.155 31.504 31.700 -0.069 0.000 0.787 551 A N -0.441 122.251 122.820 -0.213 0.000 1.948 551 A HA -0.218 4.102 4.320 0.000 0.000 0.220 551 A C 2.172 179.579 177.584 -0.295 0.000 1.177 551 A CA 1.584 53.474 52.037 -0.246 0.000 0.636 551 A CB -1.705 17.131 19.000 -0.275 0.000 0.815 551 A HN 0.113 nan 8.150 nan 0.000 0.449 552 I N -0.450 119.858 120.570 -0.437 0.000 2.127 552 I HA -0.238 3.932 4.170 0.000 0.000 0.241 552 I C 2.318 178.420 176.117 -0.025 0.000 1.075 552 I CA 1.464 62.613 61.300 -0.251 0.000 1.334 552 I CB -0.482 37.390 38.000 -0.213 0.000 1.040 552 I HN 0.165 nan 8.210 nan 0.000 0.405 553 V N 0.025 119.914 119.914 -0.043 0.000 2.490 553 V HA -0.280 3.840 4.120 0.000 0.000 0.250 553 V C 2.590 178.688 176.094 0.005 0.000 1.061 553 V CA 2.108 64.410 62.300 0.003 0.000 1.064 553 V CB -0.659 31.156 31.823 -0.013 0.000 0.670 553 V HN 0.494 nan 8.190 nan 0.000 0.461 554 S N 0.117 115.803 115.700 -0.024 0.000 2.338 554 S HA -0.159 4.311 4.470 0.000 0.000 0.218 554 S C 1.907 176.518 174.600 0.019 0.000 1.032 554 S CA 1.551 59.741 58.200 -0.016 0.000 0.999 554 S CB -0.289 62.888 63.200 -0.039 0.000 0.905 554 S HN 0.361 nan 8.310 nan 0.000 0.439 555 L N 1.599 122.846 121.223 0.040 0.000 2.131 555 L HA 0.067 4.407 4.340 0.000 0.000 0.210 555 L C 2.225 179.209 176.870 0.190 0.000 1.092 555 L CA 1.333 56.260 54.840 0.145 0.000 0.759 555 L CB -0.740 41.360 42.059 0.068 0.000 0.903 555 L HN 0.416 nan 8.230 nan 0.000 0.435 556 I N -0.838 119.819 120.570 0.144 0.000 2.315 556 I HA -0.252 3.918 4.170 0.000 0.000 0.248 556 I C 1.850 177.955 176.117 -0.022 0.000 1.117 556 I CA 1.084 62.392 61.300 0.013 0.000 1.404 556 I CB -0.301 37.769 38.000 0.117 0.000 1.071 556 I HN 0.263 nan 8.210 nan 0.000 0.419 557 D N 0.225 120.633 120.400 0.013 0.000 2.234 557 D HA -0.118 4.522 4.640 0.000 0.000 0.205 557 D C 2.157 178.441 176.300 -0.027 0.000 0.962 557 D CA 0.844 54.848 54.000 0.006 0.000 0.855 557 D CB 0.036 40.839 40.800 0.004 0.000 0.951 557 D HN 0.441 nan 8.370 nan 0.000 0.500 558 Q N -0.176 119.602 119.800 -0.037 0.000 1.941 558 Q HA -0.133 4.207 4.340 0.000 0.000 0.201 558 Q C 2.022 177.903 176.000 -0.198 0.000 0.982 558 Q CA 1.157 56.898 55.803 -0.103 0.000 0.839 558 Q CB -0.144 28.532 28.738 -0.103 0.000 0.904 558 Q HN 0.407 nan 8.270 nan 0.000 0.427 559 H N -1.147 117.733 119.070 -0.317 0.000 2.457 559 H HA -0.000 4.556 4.556 0.000 0.000 0.294 559 H C 0.232 175.289 175.328 -0.452 0.000 1.064 559 H CA 0.930 56.692 56.048 -0.476 0.000 1.330 559 H CB 0.084 29.387 29.762 -0.765 0.000 1.395 559 H HN 0.096 nan 8.280 nan 0.000 0.541 560 F N -2.714 117.236 119.950 0.000 0.000 2.846 560 F HA 0.513 5.040 4.527 0.000 0.000 0.388 560 F C 1.834 177.601 175.800 -0.054 0.000 1.259 560 F CA -0.507 57.450 58.000 -0.071 0.000 1.118 560 F CB 0.751 39.645 39.000 -0.177 0.000 1.512 560 F HN 0.076 nan 8.300 nan 0.000 0.502 561 G N 0.193 109.093 108.800 0.167 0.000 2.417 561 G HA2 -0.402 3.558 3.960 0.000 0.000 0.233 561 G HA3 -0.402 3.558 3.960 0.000 0.000 0.233 561 G C 1.225 176.151 174.900 0.043 0.000 1.103 561 G CA 0.849 45.990 45.100 0.069 0.000 0.647 561 G HN 0.681 nan 8.290 nan 0.000 0.512 562 S N 0.793 116.523 115.700 0.050 0.000 2.461 562 S HA 0.562 5.032 4.470 0.000 0.000 0.228 562 S C 1.493 176.112 174.600 0.033 0.000 1.005 562 S CA 1.575 59.793 58.200 0.030 0.000 0.942 562 S CB -0.316 62.898 63.200 0.024 0.000 0.776 562 S HN 1.762 nan 8.310 nan 0.000 0.514 566 G N 2.495 111.291 108.800 -0.007 0.000 2.241 566 G HA2 -0.266 3.694 3.960 0.000 0.000 0.244 566 G HA3 -0.266 3.694 3.960 0.000 0.000 0.244 566 G C 0.399 175.293 174.900 -0.011 0.000 0.998 566 G CA 0.595 45.691 45.100 -0.008 0.000 0.621 566 G HN 1.647 nan 8.290 nan 0.000 0.519 567 S N -0.512 115.179 115.700 -0.014 0.000 2.713 567 S HA 0.631 5.101 4.470 0.000 0.000 0.283 567 S C 0.402 174.991 174.600 -0.018 0.000 1.161 567 S CA 0.211 58.400 58.200 -0.018 0.000 0.999 567 S CB 1.805 64.990 63.200 -0.025 0.000 1.039 567 S HN 0.375 nan 8.310 nan 0.000 0.548 568 N N 0.230 118.918 118.700 -0.020 0.000 2.279 568 N HA 0.172 4.912 4.740 0.000 0.000 0.226 568 N C -0.112 175.384 175.510 -0.023 0.000 1.126 568 N CA -0.270 52.769 53.050 -0.018 0.000 0.846 568 N CB -0.370 38.107 38.487 -0.016 0.000 1.050 568 N HN 0.631 nan 8.380 nan 0.000 0.502 569 L N -1.183 120.021 121.223 -0.031 0.000 2.719 569 L HA 0.531 4.871 4.340 0.000 0.000 0.236 569 L C 0.659 177.502 176.870 -0.046 0.000 1.221 569 L CA -0.105 54.710 54.840 -0.041 0.000 1.048 569 L CB 0.240 42.266 42.059 -0.056 0.000 1.364 569 L HN 0.122 nan 8.230 nan 0.000 0.447 570 R N 0.171 120.653 120.500 -0.029 0.000 2.320 570 R HA 0.110 4.450 4.340 0.000 0.000 0.193 570 R C 0.884 177.176 176.300 -0.013 0.000 0.885 570 R CA 0.056 56.144 56.100 -0.020 0.000 1.085 570 R CB 0.755 31.050 30.300 -0.007 0.000 1.253 570 R HN 0.402 nan 8.270 nan 0.000 0.636 571 D N 0.896 121.289 120.400 -0.012 0.000 2.183 571 D HA -0.144 4.496 4.640 0.000 0.000 0.203 571 D C 1.387 177.680 176.300 -0.011 0.000 0.969 571 D CA 0.925 54.920 54.000 -0.008 0.000 0.842 571 D CB 0.252 41.047 40.800 -0.008 0.000 0.957 571 D HN 0.396 nan 8.370 nan 0.000 0.484 572 E N 0.704 120.892 120.200 -0.019 0.000 2.107 572 E HA -0.094 4.256 4.350 0.000 0.000 0.191 572 E C 2.276 178.860 176.600 -0.027 0.000 0.982 572 E CA 0.172 56.558 56.400 -0.023 0.000 0.809 572 E CB 0.132 29.815 29.700 -0.029 0.000 0.756 572 E HN 0.174 nan 8.360 nan 0.000 0.459 573 L N 0.488 121.689 121.223 -0.037 0.000 1.988 573 L HA -0.155 4.185 4.340 0.000 0.000 0.207 573 L C 2.453 179.320 176.870 -0.005 0.000 1.071 573 L CA 1.101 55.914 54.840 -0.046 0.000 0.744 573 L CB -0.296 41.712 42.059 -0.084 0.000 0.893 573 L HN 0.119 nan 8.230 nan 0.000 0.433 574 V N 0.026 119.946 119.914 0.011 0.000 2.469 574 V HA -0.326 3.794 4.120 0.000 0.000 0.251 574 V C 2.430 178.543 176.094 0.031 0.000 1.064 574 V CA 2.096 64.418 62.300 0.037 0.000 1.066 574 V CB -0.605 31.235 31.823 0.028 0.000 0.667 574 V HN 0.535 nan 8.190 nan 0.000 0.461 575 E N 0.131 120.338 120.200 0.012 0.000 2.046 575 E HA -0.203 4.147 4.350 0.000 0.000 0.190 575 E C 2.254 178.855 176.600 0.002 0.000 0.982 575 E CA 1.102 57.505 56.400 0.006 0.000 0.800 575 E CB 0.016 29.715 29.700 -0.002 0.000 0.756 575 E HN 0.571 nan 8.360 nan 0.000 0.449 576 K N -0.114 120.284 120.400 -0.004 0.000 2.228 576 K HA -0.009 4.311 4.320 0.000 0.000 0.202 576 K C 1.966 178.559 176.600 -0.011 0.000 1.051 576 K CA 0.552 56.828 56.287 -0.017 0.000 0.960 576 K CB 0.336 32.821 32.500 -0.025 0.000 0.743 576 K HN 0.032 nan 8.250 nan 0.000 0.458 577 V N 1.946 121.880 119.914 0.034 0.000 2.871 577 V HA -0.153 3.967 4.120 0.000 0.000 0.256 577 V C 1.613 177.750 176.094 0.072 0.000 1.082 577 V CA 1.333 63.690 62.300 0.095 0.000 1.105 577 V CB -0.358 31.599 31.823 0.223 0.000 0.713 577 V HN 0.322 nan 8.190 nan 0.000 0.473 578 N N 0.225 118.956 118.700 0.052 0.000 2.250 578 N HA -0.051 4.689 4.740 0.000 0.000 0.181 578 N C 1.812 177.324 175.510 0.003 0.000 1.017 578 N CA 0.948 54.026 53.050 0.046 0.000 0.866 578 N CB -0.059 38.455 38.487 0.045 0.000 0.985 578 N HN 0.455 nan 8.380 nan 0.000 0.429 579 K N -0.177 120.209 120.400 -0.022 0.000 2.217 579 K HA 0.058 4.378 4.320 0.000 0.000 0.202 579 K C 1.627 178.160 176.600 -0.111 0.000 1.051 579 K CA 0.879 57.136 56.287 -0.050 0.000 0.952 579 K CB 0.124 32.598 32.500 -0.044 0.000 0.736 579 K HN 0.097 nan 8.250 nan 0.000 0.453 580 T N 1.678 116.136 114.554 -0.161 0.000 2.851 580 T HA 0.000 4.350 4.350 0.000 0.000 0.262 580 T C 1.840 176.356 174.700 -0.307 0.000 1.043 580 T CA 0.709 62.605 62.100 -0.339 0.000 1.140 580 T CB -0.059 68.570 68.868 -0.399 0.000 0.872 580 T HN 0.057 nan 8.240 nan 0.000 0.446 581 L N 1.045 122.159 121.223 -0.181 0.000 1.970 581 L HA -0.119 4.221 4.340 0.000 0.000 0.212 581 L C 3.109 179.904 176.870 -0.126 0.000 1.071 581 L CA 1.486 56.230 54.840 -0.160 0.000 0.751 581 L CB -0.810 41.210 42.059 -0.066 0.000 0.889 581 L HN 0.226 nan 8.230 nan 0.000 0.432 582 A N -0.036 122.746 122.820 -0.064 0.000 1.948 582 A HA -0.307 4.013 4.320 0.000 0.000 0.220 582 A C 2.395 179.935 177.584 -0.073 0.000 1.177 582 A CA 2.322 54.331 52.037 -0.046 0.000 0.636 582 A CB -0.609 18.383 19.000 -0.013 0.000 0.815 582 A HN 0.404 nan 8.150 nan 0.000 0.449 583 K N -1.084 119.260 120.400 -0.093 0.000 2.097 583 K HA -0.198 4.122 4.320 0.000 0.000 0.206 583 K C 2.271 178.834 176.600 -0.061 0.000 1.049 583 K CA 1.672 57.913 56.287 -0.077 0.000 0.933 583 K CB -0.087 32.349 32.500 -0.107 0.000 0.717 583 K HN 0.339 nan 8.250 nan 0.000 0.442 584 R N 0.395 120.841 120.500 -0.090 0.000 2.075 584 R HA 0.076 4.416 4.340 0.000 0.000 0.220 584 R C 2.062 178.260 176.300 -0.170 0.000 1.118 584 R CA 0.753 56.821 56.100 -0.052 0.000 0.986 584 R CB -0.588 29.735 30.300 0.039 0.000 0.884 584 R HN 0.118 nan 8.270 nan 0.000 0.439 585 L N 1.786 122.868 121.223 -0.235 0.000 2.197 585 L HA -0.179 4.161 4.340 0.000 0.000 0.215 585 L C 2.090 178.812 176.870 -0.246 0.000 1.095 585 L CA 2.036 56.679 54.840 -0.327 0.000 0.764 585 L CB -1.166 40.695 42.059 -0.329 0.000 0.897 585 L HN 0.475 nan 8.230 nan 0.000 0.436 586 E N 0.441 120.545 120.200 -0.159 0.000 2.208 586 E HA -0.206 4.144 4.350 0.000 0.000 0.193 586 E C 1.712 178.245 176.600 -0.112 0.000 0.988 586 E CA 0.753 57.084 56.400 -0.115 0.000 0.828 586 E CB 0.165 29.823 29.700 -0.071 0.000 0.763 586 E HN 0.709 nan 8.360 nan 0.000 0.478 587 Q N -0.980 118.746 119.800 -0.124 0.000 2.172 587 Q HA 0.158 4.498 4.340 0.000 0.000 0.217 587 Q C 0.127 176.033 176.000 -0.156 0.000 0.832 587 Q CA 0.071 55.814 55.803 -0.100 0.000 1.010 587 Q CB 0.941 29.643 28.738 -0.061 0.000 1.133 587 Q HN -0.046 nan 8.270 nan 0.000 0.489 588 T N 1.220 115.617 114.554 -0.262 0.000 3.170 588 T HA 0.042 4.392 4.350 0.000 0.000 0.288 588 T C 0.676 175.193 174.700 -0.305 0.000 0.992 588 T CA -0.232 61.591 62.100 -0.462 0.000 0.909 588 T CB 0.073 68.484 68.868 -0.763 0.000 1.133 588 T HN 0.474 nan 8.240 nan 0.000 0.530 589 N N 1.448 120.036 118.700 -0.185 0.000 2.627 589 N HA -0.050 4.690 4.740 0.000 0.000 0.196 589 N C 1.149 176.621 175.510 -0.064 0.000 1.268 589 N CA 0.425 53.388 53.050 -0.146 0.000 0.904 589 N CB -0.104 38.306 38.487 -0.129 0.000 1.016 589 N HN 0.429 nan 8.380 nan 0.000 0.448 590 S N -2.099 113.617 115.700 0.027 0.000 2.540 590 S HA 0.180 4.650 4.470 0.000 0.000 0.222 590 S C 0.143 174.830 174.600 0.145 0.000 1.008 590 S CA -0.679 57.564 58.200 0.072 0.000 0.939 590 S CB -0.173 63.075 63.200 0.079 0.000 0.865 590 S HN 0.068 nan 8.310 nan 0.000 0.499 591 Y N 3.012 123.248 120.300 -0.106 0.000 2.299 591 Y HA 0.486 5.036 4.550 0.000 0.000 0.335 591 Y C 0.723 176.572 175.900 -0.085 0.000 1.287 591 Y CA -1.489 56.557 58.100 -0.090 0.000 1.424 591 Y CB 0.055 38.452 38.460 -0.105 0.000 1.326 591 Y HN 0.101 nan 8.280 nan 0.000 0.567 592 D N 0.466 120.922 120.400 0.094 0.000 2.344 592 D HA 0.043 4.683 4.640 0.000 0.000 0.244 592 D C 1.154 177.507 176.300 0.089 0.000 1.134 592 D CA -0.319 53.714 54.000 0.055 0.000 0.930 592 D CB 0.937 41.760 40.800 0.038 0.000 1.175 592 D HN 0.444 nan 8.370 nan 0.000 0.437 593 L N 2.354 123.632 121.223 0.091 0.000 1.951 593 L HA -0.239 4.102 4.340 0.000 0.000 0.222 593 L C 2.329 179.347 176.870 0.247 0.000 1.078 593 L CA 1.987 56.922 54.840 0.158 0.000 0.778 593 L CB -0.799 41.362 42.059 0.171 0.000 0.893 593 L HN 0.478 nan 8.230 nan 0.000 0.436 594 V N -2.013 118.043 119.914 0.237 0.000 2.332 594 V HA -0.131 3.989 4.120 0.000 0.000 0.248 594 V C -0.226 176.081 176.094 0.355 0.000 1.055 594 V CA 1.746 64.235 62.300 0.315 0.000 1.038 594 V CB -2.158 29.827 31.823 0.270 0.000 0.651 594 V HN 0.398 nan 8.190 nan 0.000 0.450 595 P HA -0.112 nan 4.420 nan 0.000 0.217 595 P C 1.893 179.353 177.300 0.266 0.000 1.150 595 P CA 1.774 65.020 63.100 0.244 0.000 0.832 595 P CB -0.195 31.608 31.700 0.172 0.000 0.787 596 R N -1.090 119.505 120.500 0.159 0.000 2.070 596 R HA -0.152 4.188 4.340 0.000 0.000 0.233 596 R C 2.082 178.214 176.300 -0.279 0.000 1.137 596 R CA 1.885 57.895 56.100 -0.150 0.000 0.945 596 R CB -0.866 29.223 30.300 -0.351 0.000 0.845 596 R HN 0.171 nan 8.270 nan 0.000 0.430 597 W N -0.091 121.219 121.300 0.018 0.000 2.358 597 W HA -0.151 4.509 4.660 0.000 0.000 0.303 597 W C 2.419 178.977 176.519 0.065 0.000 1.208 597 W CA 0.904 58.252 57.345 0.005 0.000 1.274 597 W CB -0.314 29.139 29.460 -0.012 0.000 1.138 597 W HN 0.289 nan 8.180 nan 0.000 0.515 598 H N -0.734 118.527 119.070 0.319 0.000 2.456 598 H HA -0.143 4.413 4.556 0.000 0.000 0.296 598 H C 1.467 176.905 175.328 0.183 0.000 1.079 598 H CA 1.977 58.172 56.048 0.246 0.000 1.322 598 H CB -0.452 29.413 29.762 0.172 0.000 1.388 598 H HN 0.295 nan 8.280 nan 0.000 0.538 599 D N 0.383 120.909 120.400 0.210 0.000 2.123 599 D HA -0.053 4.587 4.640 0.000 0.000 0.200 599 D C 2.352 178.684 176.300 0.054 0.000 0.976 599 D CA 1.136 55.197 54.000 0.103 0.000 0.831 599 D CB 0.022 40.822 40.800 0.001 0.000 0.974 599 D HN 0.212 nan 8.370 nan 0.000 0.469 600 A N -0.445 122.341 122.820 -0.057 0.000 1.877 600 A HA -0.078 4.242 4.320 0.000 0.000 0.216 600 A C 2.015 179.531 177.584 -0.113 0.000 1.186 600 A CA 1.051 52.988 52.037 -0.168 0.000 0.620 600 A CB -1.127 17.622 19.000 -0.418 0.000 0.822 600 A HN 0.393 nan 8.150 nan 0.000 0.443 601 F N -0.439 119.594 119.950 0.137 0.000 2.615 601 F HA -0.017 4.510 4.527 0.000 0.000 0.297 601 F C 2.762 178.646 175.800 0.139 0.000 1.124 601 F CA 0.939 58.987 58.000 0.080 0.000 1.451 601 F CB 0.095 39.036 39.000 -0.098 0.000 1.103 601 F HN 0.286 nan 8.300 nan 0.000 0.569 602 S N -0.079 115.805 115.700 0.306 0.000 2.402 602 S HA -0.193 4.277 4.470 0.000 0.000 0.229 602 S C 2.040 176.831 174.600 0.318 0.000 1.021 602 S CA 0.988 59.352 58.200 0.274 0.000 0.974 602 S CB -0.525 62.798 63.200 0.205 0.000 0.800 602 S HN 0.506 nan 8.310 nan 0.000 0.484 603 F N 1.444 121.454 119.950 0.100 0.000 2.187 603 F HA 0.085 4.612 4.527 0.000 0.000 0.295 603 F C 2.470 178.342 175.800 0.119 0.000 1.091 603 F CA 0.557 58.601 58.000 0.073 0.000 1.308 603 F CB -0.311 38.693 39.000 0.007 0.000 1.030 603 F HN 0.364 nan 8.300 nan 0.000 0.487 604 A N 0.510 123.498 122.820 0.280 0.000 1.972 604 A HA -0.166 4.154 4.320 0.000 0.000 0.219 604 A C 2.235 180.085 177.584 0.444 0.000 1.169 604 A CA 1.531 53.730 52.037 0.271 0.000 0.635 604 A CB -1.196 18.010 19.000 0.343 0.000 0.810 604 A HN 0.471 nan 8.150 nan 0.000 0.446 605 A N -0.471 122.653 122.820 0.508 0.000 1.972 605 A HA 0.124 4.444 4.320 0.000 0.000 0.219 605 A C 2.348 180.112 177.584 0.300 0.000 1.169 605 A CA 1.801 54.137 52.037 0.498 0.000 0.635 605 A CB -1.238 18.018 19.000 0.427 0.000 0.810 605 A HN 0.713 nan 8.150 nan 0.000 0.446 606 G N -0.530 108.449 108.800 0.299 0.000 2.422 606 G HA2 -0.186 3.774 3.960 0.000 0.000 0.218 606 G HA3 -0.186 3.774 3.960 0.000 0.000 0.218 606 G C 1.727 176.726 174.900 0.166 0.000 1.146 606 G CA 1.950 47.194 45.100 0.239 0.000 0.769 606 G HN 0.708 nan 8.290 nan 0.000 0.547 607 T N -1.164 113.477 114.554 0.145 0.000 2.985 607 T HA -0.054 4.296 4.350 0.000 0.000 0.266 607 T C 2.426 177.130 174.700 0.007 0.000 1.076 607 T CA 1.516 63.651 62.100 0.058 0.000 1.135 607 T CB -0.185 68.688 68.868 0.008 0.000 0.890 607 T HN 0.384 nan 8.240 nan 0.000 0.480 608 V N 0.959 120.873 119.914 0.001 0.000 2.427 608 V HA -0.031 4.089 4.120 0.000 0.000 0.248 608 V C 2.414 178.426 176.094 -0.136 0.000 1.051 608 V CA 1.491 63.697 62.300 -0.156 0.000 1.048 608 V CB -1.002 30.617 31.823 -0.339 0.000 0.666 608 V HN 0.357 nan 8.190 nan 0.000 0.456 609 V N 0.801 120.690 119.914 -0.042 0.000 2.453 609 V HA -0.309 3.811 4.120 0.000 0.000 0.252 609 V C 2.638 178.711 176.094 -0.035 0.000 1.068 609 V CA 2.759 65.042 62.300 -0.027 0.000 1.070 609 V CB -0.721 31.120 31.823 0.031 0.000 0.664 609 V HN 0.816 nan 8.190 nan 0.000 0.461 610 E N -0.463 119.722 120.200 -0.024 0.000 2.030 610 E HA -0.143 4.207 4.350 0.000 0.000 0.189 610 E C 2.266 178.837 176.600 -0.047 0.000 0.974 610 E CA 1.258 57.645 56.400 -0.022 0.000 0.807 610 E CB 0.005 29.705 29.700 0.001 0.000 0.771 610 E HN 0.337 nan 8.360 nan 0.000 0.451 611 V N 0.591 120.464 119.914 -0.068 0.000 2.515 611 V HA -0.110 4.010 4.120 0.000 0.000 0.250 611 V C 1.392 177.421 176.094 -0.109 0.000 1.058 611 V CA 1.140 63.392 62.300 -0.081 0.000 1.064 611 V CB -0.028 31.744 31.823 -0.085 0.000 0.675 611 V HN 0.233 nan 8.190 nan 0.000 0.461 612 L N 0.613 121.745 121.223 -0.153 0.000 2.685 612 L HA 0.317 4.657 4.340 0.000 0.000 0.233 612 L C 2.270 179.068 176.870 -0.121 0.000 1.173 612 L CA 1.421 56.155 54.840 -0.177 0.000 0.961 612 L CB -0.788 41.081 42.059 -0.315 0.000 1.217 612 L HN 0.398 nan 8.230 nan 0.000 0.478 613 S N 0.020 115.669 115.700 -0.083 0.000 2.423 613 S HA -0.197 4.273 4.470 0.000 0.000 0.238 613 S C 2.025 176.599 174.600 -0.043 0.000 1.028 613 S CA 1.910 60.078 58.200 -0.053 0.000 1.000 613 S CB 0.047 63.226 63.200 -0.036 0.000 0.797 613 S HN 0.628 nan 8.310 nan 0.000 0.487 614 S N -0.457 115.214 115.700 -0.047 0.000 2.556 614 S HA 0.224 4.695 4.470 0.000 0.000 0.216 614 S C 0.735 175.312 174.600 -0.037 0.000 0.970 614 S CA -0.204 57.975 58.200 -0.035 0.000 0.912 614 S CB -0.178 63.003 63.200 -0.031 0.000 0.790 614 S HN 0.411 nan 8.310 nan 0.000 0.504 615 T N 2.819 117.341 114.554 -0.054 0.000 2.689 615 T HA 0.286 4.636 4.350 0.000 0.000 0.308 615 T C 1.103 175.784 174.700 -0.032 0.000 1.021 615 T CA 0.260 62.329 62.100 -0.052 0.000 0.973 615 T CB 0.757 69.570 68.868 -0.090 0.000 1.113 615 T HN 0.501 nan 8.240 nan 0.000 0.522 616 S N -0.870 114.819 115.700 -0.019 0.000 2.663 616 S HA 0.322 4.792 4.470 0.000 0.000 0.243 616 S C 0.288 174.895 174.600 0.011 0.000 1.009 616 S CA -0.550 57.648 58.200 -0.002 0.000 0.988 616 S CB -0.546 62.656 63.200 0.004 0.000 0.896 616 S HN 0.431 nan 8.310 nan 0.000 0.502 617 L N 3.101 124.326 121.223 0.003 0.000 2.483 617 L HA 0.315 4.655 4.340 0.000 0.000 0.275 617 L C 0.914 177.811 176.870 0.044 0.000 1.220 617 L CA -0.176 54.685 54.840 0.035 0.000 0.833 617 L CB 0.548 42.612 42.059 0.007 0.000 1.102 617 L HN 0.454 nan 8.230 nan 0.000 0.490 618 S N 1.462 117.207 115.700 0.075 0.000 2.651 618 S HA 0.407 4.877 4.470 0.000 0.000 0.291 618 S C 0.973 175.629 174.600 0.093 0.000 1.141 618 S CA -0.945 57.298 58.200 0.072 0.000 1.027 618 S CB 1.296 64.539 63.200 0.072 0.000 1.043 618 S HN 0.568 nan 8.310 nan 0.000 0.530 619 L N 1.293 122.565 121.223 0.082 0.000 2.079 619 L HA -0.115 4.225 4.340 0.000 0.000 0.210 619 L C 3.005 179.950 176.870 0.125 0.000 1.081 619 L CA 1.627 56.527 54.840 0.099 0.000 0.752 619 L CB -1.080 41.027 42.059 0.080 0.000 0.896 619 L HN 0.952 nan 8.230 nan 0.000 0.433 620 A N 0.106 122.992 122.820 0.111 0.000 1.933 620 A HA -0.165 4.155 4.320 0.000 0.000 0.218 620 A C 2.562 180.240 177.584 0.156 0.000 1.175 620 A CA 1.713 53.820 52.037 0.117 0.000 0.628 620 A CB -0.575 18.480 19.000 0.091 0.000 0.814 620 A HN 0.412 nan 8.150 nan 0.000 0.444 621 A N -0.483 122.441 122.820 0.173 0.000 1.858 621 A HA -0.027 4.293 4.320 0.000 0.000 0.216 621 A C 2.216 180.008 177.584 0.346 0.000 1.190 621 A CA 1.889 54.069 52.037 0.238 0.000 0.617 621 A CB -1.033 18.105 19.000 0.230 0.000 0.827 621 A HN 0.441 nan 8.150 nan 0.000 0.443 622 V N 0.826 120.952 119.914 0.353 0.000 2.407 622 V HA -0.238 3.882 4.120 0.000 0.000 0.248 622 V C 2.389 178.747 176.094 0.439 0.000 1.055 622 V CA 2.268 64.852 62.300 0.473 0.000 1.049 622 V CB -1.183 30.823 31.823 0.306 0.000 0.662 622 V HN 0.742 nan 8.190 nan 0.000 0.455 623 N N 0.677 119.547 118.700 0.282 0.000 2.188 623 N HA -0.116 4.624 4.740 0.000 0.000 0.184 623 N C 1.722 177.334 175.510 0.171 0.000 1.018 623 N CA 1.491 54.669 53.050 0.214 0.000 0.858 623 N CB -0.264 38.318 38.487 0.158 0.000 0.989 623 N HN 0.410 nan 8.380 nan 0.000 0.426 624 A N -0.682 122.250 122.820 0.186 0.000 1.930 624 A HA -0.106 4.214 4.320 0.000 0.000 0.217 624 A C 2.074 179.684 177.584 0.043 0.000 1.175 624 A CA 1.328 53.455 52.037 0.150 0.000 0.627 624 A CB -1.287 17.841 19.000 0.213 0.000 0.815 624 A HN 0.678 nan 8.150 nan 0.000 0.443 625 W N 1.177 122.346 121.300 -0.218 0.000 2.378 625 W HA -0.169 4.491 4.660 0.000 0.000 0.313 625 W C 2.172 178.443 176.519 -0.414 0.000 1.197 625 W CA 2.077 58.998 57.345 -0.706 0.000 1.304 625 W CB -0.212 28.900 29.460 -0.580 0.000 1.148 625 W HN 0.281 nan 8.180 nan 0.000 0.494 626 K N 0.297 120.503 120.400 -0.323 0.000 2.020 626 K HA -0.247 4.073 4.320 0.000 0.000 0.212 626 K C 1.712 178.046 176.600 -0.442 0.000 1.050 626 K CA 2.664 58.656 56.287 -0.491 0.000 0.929 626 K CB -0.716 31.801 32.500 0.028 0.000 0.714 626 K HN 0.186 nan 8.250 nan 0.000 0.443 627 V N 1.521 121.328 119.914 -0.179 0.000 2.255 627 V HA -0.268 3.852 4.120 0.000 0.000 0.247 627 V C 2.645 178.606 176.094 -0.223 0.000 1.051 627 V CA 2.054 64.312 62.300 -0.069 0.000 1.018 627 V CB -0.995 30.860 31.823 0.053 0.000 0.641 627 V HN 0.565 nan 8.190 nan 0.000 0.445 628 A N 0.131 122.782 122.820 -0.283 0.000 1.883 628 A HA -0.194 4.126 4.320 0.000 0.000 0.217 628 A C 2.454 179.765 177.584 -0.454 0.000 1.186 628 A CA 2.519 54.389 52.037 -0.279 0.000 0.624 628 A CB -0.985 17.885 19.000 -0.217 0.000 0.822 628 A HN 0.607 nan 8.150 nan 0.000 0.444 629 A N -0.248 122.062 122.820 -0.850 0.000 1.883 629 A HA 0.106 4.426 4.320 0.000 0.000 0.217 629 A C 2.547 179.621 177.584 -0.851 0.000 1.186 629 A CA 2.441 53.786 52.037 -1.153 0.000 0.624 629 A CB -1.143 16.428 19.000 -2.382 0.000 0.822 629 A HN 1.165 nan 8.150 nan 0.000 0.444 630 A N -0.267 122.116 122.820 -0.728 0.000 1.902 630 A HA -0.178 4.142 4.320 0.000 0.000 0.217 630 A C 1.896 179.304 177.584 -0.293 0.000 1.181 630 A CA 1.702 53.568 52.037 -0.285 0.000 0.623 630 A CB -0.563 18.121 19.000 -0.526 0.000 0.818 630 A HN 0.653 nan 8.150 nan 0.000 0.443 631 E N -0.567 119.471 120.200 -0.269 0.000 2.150 631 E HA -0.124 4.226 4.350 0.000 0.000 0.193 631 E C 2.175 178.691 176.600 -0.140 0.000 0.985 631 E CA 1.095 57.414 56.400 -0.135 0.000 0.814 631 E CB -0.137 29.522 29.700 -0.068 0.000 0.752 631 E HN 0.602 nan 8.360 nan 0.000 0.466 632 S N 0.190 115.786 115.700 -0.173 0.000 2.406 632 S HA -0.050 4.420 4.470 0.000 0.000 0.228 632 S C 2.010 176.515 174.600 -0.158 0.000 1.020 632 S CA 0.908 59.040 58.200 -0.113 0.000 0.965 632 S CB -0.006 63.147 63.200 -0.078 0.000 0.798 632 S HN 0.312 nan 8.310 nan 0.000 0.488 633 A N 2.169 124.782 122.820 -0.344 0.000 1.897 633 A HA 0.096 4.416 4.320 0.000 0.000 0.215 633 A C 2.150 179.332 177.584 -0.669 0.000 1.181 633 A CA 1.256 52.726 52.037 -0.944 0.000 0.620 633 A CB -0.875 16.944 19.000 -1.969 0.000 0.821 633 A HN 0.798 nan 8.150 nan 0.000 0.443 634 I N -3.026 117.287 120.570 -0.430 0.000 2.226 634 I HA -0.137 4.033 4.170 0.000 0.000 0.245 634 I C 2.348 178.436 176.117 -0.048 0.000 1.100 634 I CA 1.965 63.186 61.300 -0.132 0.000 1.374 634 I CB -0.638 37.368 38.000 0.009 0.000 1.057 634 I HN 0.216 nan 8.210 nan 0.000 0.413 635 S N 1.304 116.964 115.700 -0.067 0.000 2.345 635 S HA -0.112 4.359 4.470 0.000 0.000 0.220 635 S C 2.103 176.696 174.600 -0.010 0.000 1.031 635 S CA 1.368 59.556 58.200 -0.021 0.000 0.996 635 S CB -0.484 62.698 63.200 -0.030 0.000 0.882 635 S HN 0.547 nan 8.310 nan 0.000 0.445 636 L N 0.725 121.912 121.223 -0.061 0.000 1.989 636 L HA -0.129 4.211 4.340 0.000 0.000 0.211 636 L C 2.786 179.698 176.870 0.069 0.000 1.071 636 L CA 2.243 57.044 54.840 -0.065 0.000 0.749 636 L CB -1.080 40.825 42.059 -0.257 0.000 0.890 636 L HN 0.438 nan 8.230 nan 0.000 0.431 637 T N -0.745 113.943 114.554 0.222 0.000 2.665 637 T HA -0.305 4.045 4.350 0.000 0.000 0.268 637 T C 1.931 176.738 174.700 0.178 0.000 1.035 637 T CA 1.935 64.239 62.100 0.339 0.000 1.151 637 T CB -0.130 68.864 68.868 0.209 0.000 0.862 637 T HN 0.339 nan 8.240 nan 0.000 0.438 638 R N -0.035 120.540 120.500 0.124 0.000 2.103 638 R HA -0.126 4.214 4.340 0.000 0.000 0.242 638 R C 2.726 179.108 176.300 0.137 0.000 1.142 638 R CA 1.908 58.082 56.100 0.123 0.000 0.960 638 R CB -0.355 30.010 30.300 0.109 0.000 0.858 638 R HN 0.358 nan 8.270 nan 0.000 0.439 639 Q N 0.472 120.340 119.800 0.114 0.000 2.016 639 Q HA -0.094 4.246 4.340 0.000 0.000 0.200 639 Q C 2.023 178.105 176.000 0.137 0.000 0.978 639 Q CA 1.644 57.514 55.803 0.111 0.000 0.833 639 Q CB -0.336 28.446 28.738 0.073 0.000 0.895 639 Q HN 0.146 nan 8.270 nan 0.000 0.427 640 V N 0.961 120.961 119.914 0.144 0.000 2.324 640 V HA -0.318 3.802 4.120 0.000 0.000 0.250 640 V C 2.415 178.622 176.094 0.189 0.000 1.060 640 V CA 2.292 64.690 62.300 0.164 0.000 1.042 640 V CB -0.539 31.403 31.823 0.200 0.000 0.650 640 V HN 0.354 nan 8.190 nan 0.000 0.450 641 R N -0.362 120.255 120.500 0.195 0.000 2.073 641 R HA -0.205 4.135 4.340 0.000 0.000 0.234 641 R C 2.389 178.928 176.300 0.398 0.000 1.134 641 R CA 1.693 57.944 56.100 0.252 0.000 0.952 641 R CB -0.341 30.093 30.300 0.223 0.000 0.850 641 R HN 0.406 nan 8.270 nan 0.000 0.433 642 E N -0.088 120.301 120.200 0.315 0.000 2.153 642 E HA -0.152 4.198 4.350 0.000 0.000 0.194 642 E C 1.926 178.684 176.600 0.264 0.000 0.988 642 E CA 1.805 58.393 56.400 0.313 0.000 0.811 642 E CB -0.120 29.710 29.700 0.216 0.000 0.746 642 E HN 0.396 nan 8.360 nan 0.000 0.466 643 T N -1.943 112.734 114.554 0.204 0.000 2.942 643 T HA -0.098 4.252 4.350 0.000 0.000 0.265 643 T C 1.865 176.632 174.700 0.111 0.000 1.062 643 T CA 0.797 62.982 62.100 0.140 0.000 1.139 643 T CB -0.515 68.419 68.868 0.111 0.000 0.883 643 T HN 0.209 nan 8.240 nan 0.000 0.468 644 F N 0.716 120.651 119.950 -0.026 0.000 2.075 644 F HA 0.058 4.585 4.527 0.000 0.000 0.297 644 F C 1.540 177.183 175.800 -0.262 0.000 1.113 644 F CA 1.283 59.161 58.000 -0.202 0.000 1.218 644 F CB -0.467 38.300 39.000 -0.387 0.000 0.984 644 F HN 0.205 nan 8.300 nan 0.000 0.472 645 W N 0.146 121.571 121.300 0.208 0.000 2.825 645 W HA 0.023 4.683 4.660 0.000 0.000 0.243 645 W C 2.274 178.800 176.519 0.012 0.000 1.293 645 W CA 0.719 58.125 57.345 0.101 0.000 1.403 645 W CB -0.435 29.137 29.460 0.187 0.000 1.134 645 W HN -0.086 nan 8.180 nan 0.000 0.666 646 S N -0.511 115.274 115.700 0.141 0.000 2.486 646 S HA 0.287 4.757 4.470 0.000 0.000 0.220 646 S C 1.056 175.659 174.600 0.005 0.000 1.011 646 S CA 0.057 58.312 58.200 0.092 0.000 0.921 646 S CB -0.140 63.118 63.200 0.096 0.000 0.785 646 S HN 0.080 nan 8.310 nan 0.000 0.517 647 A N 1.454 124.221 122.820 -0.089 0.000 2.304 647 A HA 0.800 5.120 4.320 0.000 0.000 0.301 647 A C 0.215 177.709 177.584 -0.150 0.000 1.132 647 A CA -0.521 51.444 52.037 -0.119 0.000 0.819 647 A CB 0.362 19.266 19.000 -0.160 0.000 1.094 647 A HN 0.388 nan 8.150 nan 0.000 0.492 648 A N 0.967 123.731 122.820 -0.093 0.000 2.371 648 A HA 0.478 4.798 4.320 0.000 0.000 0.257 648 A C 1.489 179.011 177.584 -0.104 0.000 1.089 648 A CA 0.241 52.232 52.037 -0.077 0.000 0.794 648 A CB -0.113 18.866 19.000 -0.034 0.000 1.029 648 A HN 1.942 nan 8.150 nan 0.000 0.488 649 S N 1.517 117.161 115.700 -0.092 0.000 2.444 649 S HA -0.217 4.253 4.470 0.000 0.000 0.244 649 S C 1.472 176.076 174.600 0.006 0.000 1.025 649 S CA 2.287 60.450 58.200 -0.063 0.000 0.995 649 S CB -0.969 62.200 63.200 -0.051 0.000 0.781 649 S HN 0.771 nan 8.310 nan 0.000 0.496 650 T N 2.021 116.571 114.554 -0.007 0.000 2.867 650 T HA -0.010 4.341 4.350 0.000 0.000 0.268 650 T C 1.516 176.222 174.700 0.010 0.000 1.057 650 T CA 1.422 63.532 62.100 0.016 0.000 1.136 650 T CB -0.397 68.474 68.868 0.004 0.000 0.874 650 T HN 0.791 nan 8.240 nan 0.000 0.466 651 S N 0.736 116.421 115.700 -0.024 0.000 2.581 651 S HA 0.385 4.855 4.470 0.000 0.000 0.245 651 S C 0.300 174.865 174.600 -0.058 0.000 1.115 651 S CA -0.734 57.447 58.200 -0.032 0.000 1.093 651 S CB 0.204 63.382 63.200 -0.036 0.000 0.853 651 S HN 0.193 nan 8.310 nan 0.000 0.479 652 S N 2.184 117.858 115.700 -0.045 0.000 2.549 652 S HA 0.303 4.773 4.470 0.000 0.000 0.283 652 S C -1.530 173.084 174.600 0.024 0.000 1.320 652 S CA -1.020 57.143 58.200 -0.063 0.000 1.058 652 S CB 0.601 63.831 63.200 0.049 0.000 0.882 652 S HN 0.210 nan 8.310 nan 0.000 0.498 653 P HA -0.054 nan 4.420 nan 0.000 0.220 653 P C 1.189 178.628 177.300 0.233 0.000 1.144 653 P CA 1.297 64.510 63.100 0.189 0.000 0.800 653 P CB -0.034 31.853 31.700 0.310 0.000 0.772 654 A N -0.526 122.399 122.820 0.175 0.000 2.019 654 A HA -0.144 4.176 4.320 0.000 0.000 0.219 654 A C 1.979 179.531 177.584 -0.053 0.000 1.164 654 A CA 1.203 53.297 52.037 0.095 0.000 0.644 654 A CB -1.514 17.388 19.000 -0.164 0.000 0.805 654 A HN 0.180 nan 8.150 nan 0.000 0.449 655 L N -0.345 120.810 121.223 -0.113 0.000 2.551 655 L HA -0.033 4.307 4.340 0.000 0.000 0.228 655 L C 1.886 178.672 176.870 -0.140 0.000 1.153 655 L CA 0.751 55.518 54.840 -0.122 0.000 0.851 655 L CB -0.117 41.904 42.059 -0.063 0.000 0.959 655 L HN 0.252 nan 8.230 nan 0.000 0.451 656 S N -1.669 113.903 115.700 -0.213 0.000 2.548 656 S HA 0.079 4.549 4.470 0.000 0.000 0.215 656 S C 0.990 175.165 174.600 -0.708 0.000 0.976 656 S CA 0.154 58.086 58.200 -0.446 0.000 0.908 656 S CB 0.146 63.007 63.200 -0.566 0.000 0.781 656 S HN 0.404 nan 8.310 nan 0.000 0.519 657 Y N -0.271 119.876 120.300 -0.255 0.000 2.512 657 Y HA 0.439 4.989 4.550 0.000 0.000 0.268 657 Y C 0.365 176.022 175.900 -0.404 0.000 1.102 657 Y CA -0.907 56.882 58.100 -0.518 0.000 1.261 657 Y CB 0.015 37.770 38.460 -1.175 0.000 1.250 657 Y HN 0.073 nan 8.280 nan 0.000 0.506 658 L N 1.784 122.995 121.223 -0.021 0.000 2.485 658 L HA 0.102 4.442 4.340 0.000 0.000 0.275 658 L C 0.900 177.802 176.870 0.053 0.000 1.207 658 L CA -0.295 54.614 54.840 0.116 0.000 0.855 658 L CB 0.408 42.483 42.059 0.026 0.000 1.114 658 L HN 0.237 nan 8.230 nan 0.000 0.485 659 S N 5.510 121.265 115.700 0.092 0.000 2.584 659 S HA 0.271 4.741 4.470 0.000 0.000 0.270 659 S C -1.594 173.026 174.600 0.035 0.000 1.346 659 S CA -0.668 57.568 58.200 0.061 0.000 1.018 659 S CB 0.498 63.741 63.200 0.072 0.000 0.899 659 S HN 0.645 nan 8.310 nan 0.000 0.542 660 P HA -0.114 nan 4.420 nan 0.000 0.222 660 P C 0.997 178.311 177.300 0.022 0.000 1.147 660 P CA 0.963 64.072 63.100 0.015 0.000 0.790 660 P CB 0.075 31.777 31.700 0.005 0.000 0.780 661 R N 0.011 120.524 120.500 0.021 0.000 2.075 661 R HA 0.022 4.362 4.340 0.000 0.000 0.220 661 R C 2.345 178.663 176.300 0.030 0.000 1.118 661 R CA 1.942 58.052 56.100 0.017 0.000 0.986 661 R CB -2.286 28.015 30.300 0.002 0.000 0.884 661 R HN 0.286 nan 8.270 nan 0.000 0.439 662 T N -0.912 113.665 114.554 0.038 0.000 3.051 662 T HA -0.099 4.251 4.350 0.000 0.000 0.269 662 T C 1.856 176.614 174.700 0.096 0.000 1.127 662 T CA 0.827 62.960 62.100 0.056 0.000 1.107 662 T CB 0.057 68.957 68.868 0.054 0.000 0.898 662 T HN 0.211 nan 8.240 nan 0.000 0.517 663 Q N 0.317 120.169 119.800 0.085 0.000 2.172 663 Q HA 0.071 4.411 4.340 0.000 0.000 0.200 663 Q C 2.127 178.228 176.000 0.168 0.000 0.964 663 Q CA 0.941 56.811 55.803 0.112 0.000 0.855 663 Q CB -0.324 28.450 28.738 0.059 0.000 0.918 663 Q HN 0.634 nan 8.270 nan 0.000 0.444 664 I N 0.348 120.986 120.570 0.114 0.000 2.118 664 I HA -0.318 3.852 4.170 0.000 0.000 0.241 664 I C 2.210 178.419 176.117 0.152 0.000 1.070 664 I CA 0.883 62.248 61.300 0.109 0.000 1.327 664 I CB -0.321 37.711 38.000 0.053 0.000 1.034 664 I HN 0.308 nan 8.210 nan 0.000 0.405 665 L N -0.040 121.266 121.223 0.138 0.000 2.141 665 L HA -0.246 4.094 4.340 0.000 0.000 0.209 665 L C 2.402 179.409 176.870 0.227 0.000 1.094 665 L CA 1.729 56.669 54.840 0.166 0.000 0.763 665 L CB -0.943 41.178 42.059 0.103 0.000 0.908 665 L HN 0.241 nan 8.230 nan 0.000 0.437 666 Y N 0.025 120.384 120.300 0.099 0.000 2.181 666 Y HA -0.225 4.325 4.550 0.000 0.000 0.288 666 Y C 2.370 178.323 175.900 0.089 0.000 1.146 666 Y CA 1.950 60.100 58.100 0.083 0.000 1.164 666 Y CB -0.441 38.061 38.460 0.071 0.000 0.982 666 Y HN 0.234 nan 8.280 nan 0.000 0.515 667 A N -0.006 122.943 122.820 0.215 0.000 1.873 667 A HA -0.196 4.124 4.320 0.000 0.000 0.215 667 A C 2.159 179.780 177.584 0.061 0.000 1.186 667 A CA 1.468 53.575 52.037 0.118 0.000 0.616 667 A CB -1.574 17.525 19.000 0.166 0.000 0.823 667 A HN 0.619 nan 8.150 nan 0.000 0.442 668 F N 1.081 121.029 119.950 -0.002 0.000 2.063 668 F HA -0.243 4.284 4.527 0.000 0.000 0.298 668 F C 2.251 178.032 175.800 -0.032 0.000 1.109 668 F CA 2.337 60.332 58.000 -0.008 0.000 1.212 668 F CB -0.530 38.474 39.000 0.007 0.000 0.973 668 F HN 0.041 nan 8.300 nan 0.000 0.480 669 V N 0.884 120.733 119.914 -0.107 0.000 2.307 669 V HA -0.222 3.898 4.120 0.000 0.000 0.245 669 V C 2.601 178.556 176.094 -0.232 0.000 1.045 669 V CA 2.032 64.208 62.300 -0.207 0.000 1.024 669 V CB -0.685 31.103 31.823 -0.058 0.000 0.651 669 V HN 0.255 nan 8.190 nan 0.000 0.449 670 R N -0.251 120.080 120.500 -0.282 0.000 2.090 670 R HA -0.047 4.294 4.340 0.000 0.000 0.228 670 R C 2.169 178.368 176.300 -0.168 0.000 1.110 670 R CA 0.981 56.923 56.100 -0.263 0.000 0.973 670 R CB -0.202 29.832 30.300 -0.443 0.000 0.869 670 R HN 0.537 nan 8.270 nan 0.000 0.440 671 E N 0.693 120.802 120.200 -0.152 0.000 2.045 671 E HA -0.020 4.330 4.350 0.000 0.000 0.195 671 E C 1.971 178.494 176.600 -0.128 0.000 0.953 671 E CA 0.569 56.910 56.400 -0.098 0.000 0.859 671 E CB -0.369 29.305 29.700 -0.043 0.000 0.854 671 E HN 0.268 nan 8.360 nan 0.000 0.471 672 E N 0.999 121.092 120.200 -0.178 0.000 2.058 672 E HA -0.140 4.210 4.350 0.000 0.000 0.194 672 E C 2.245 178.675 176.600 -0.283 0.000 0.997 672 E CA 0.954 57.219 56.400 -0.225 0.000 0.801 672 E CB -0.160 29.367 29.700 -0.289 0.000 0.746 672 E HN 0.136 nan 8.360 nan 0.000 0.450 673 L N -0.623 120.353 121.223 -0.411 0.000 2.313 673 L HA 0.049 4.389 4.340 0.000 0.000 0.214 673 L C 1.633 178.416 176.870 -0.145 0.000 1.119 673 L CA 0.583 55.249 54.840 -0.291 0.000 0.809 673 L CB -0.365 41.497 42.059 -0.329 0.000 0.933 673 L HN 0.346 nan 8.230 nan 0.000 0.449 674 G N 0.827 109.547 108.800 -0.133 0.000 2.160 674 G HA2 -0.271 3.689 3.960 0.000 0.000 0.251 674 G HA3 -0.271 3.689 3.960 0.000 0.000 0.251 674 G C 0.190 175.074 174.900 -0.027 0.000 1.008 674 G CA 0.379 45.439 45.100 -0.067 0.000 0.724 674 G HN 0.253 nan 8.290 nan 0.000 0.514 675 V N 0.357 120.254 119.914 -0.027 0.000 2.364 675 V HA 0.723 4.843 4.120 0.000 0.000 0.272 675 V C 0.218 176.329 176.094 0.028 0.000 1.036 675 V CA -0.918 61.410 62.300 0.046 0.000 0.880 675 V CB 0.997 32.886 31.823 0.110 0.000 0.991 675 V HN 0.232 nan 8.190 nan 0.000 0.460 676 K N 5.064 125.511 120.400 0.077 0.000 2.210 676 K HA 0.718 5.038 4.320 0.000 0.000 0.236 676 K C 0.186 176.878 176.600 0.154 0.000 1.016 676 K CA -0.223 56.114 56.287 0.084 0.000 0.913 676 K CB 1.590 34.162 32.500 0.119 0.000 1.141 676 K HN 0.855 nan 8.250 nan 0.000 0.462 677 A N 1.162 124.100 122.820 0.197 0.000 2.483 677 A HA 0.128 4.448 4.320 0.000 0.000 0.238 677 A C 0.082 177.950 177.584 0.473 0.000 1.070 677 A CA 0.106 52.319 52.037 0.292 0.000 0.770 677 A CB -0.031 19.146 19.000 0.295 0.000 1.008 677 A HN 0.582 nan 8.150 nan 0.000 0.497 678 R N 0.940 121.648 120.500 0.346 0.000 2.294 678 R HA 0.321 4.661 4.340 0.000 0.000 0.319 678 R C 1.150 177.441 176.300 -0.015 0.000 0.984 678 R CA -0.462 55.705 56.100 0.111 0.000 0.861 678 R CB 0.695 30.900 30.300 -0.158 0.000 1.104 678 R HN 0.895 nan 8.270 nan 0.000 0.451 679 R N 1.970 122.250 120.500 -0.367 0.000 2.093 679 R HA 0.116 4.456 4.340 0.000 0.000 0.224 679 R C 0.423 176.475 176.300 -0.412 0.000 1.101 679 R CA 1.205 56.841 56.100 -0.774 0.000 0.979 679 R CB 0.340 29.844 30.300 -1.326 0.000 0.877 679 R HN 0.883 nan 8.270 nan 0.000 0.441 680 G N -1.475 107.171 108.800 -0.257 0.000 2.441 680 G HA2 -0.049 3.911 3.960 0.000 0.000 0.222 680 G HA3 -0.049 3.911 3.960 0.000 0.000 0.222 680 G C -0.986 173.875 174.900 -0.065 0.000 1.254 680 G CA 0.053 45.071 45.100 -0.136 0.000 0.959 680 G HN 0.128 nan 8.290 nan 0.000 0.474 681 D N -2.610 117.788 120.400 -0.003 0.000 1.921 681 D HA 0.098 4.738 4.640 0.000 0.000 0.470 681 D C 2.231 178.542 176.300 0.018 0.000 0.957 681 D CA 0.813 54.816 54.000 0.005 0.000 0.974 681 D CB 0.593 41.398 40.800 0.008 0.000 1.682 681 D HN 0.240 nan 8.370 nan 0.000 0.528 682 V N 1.190 121.127 119.914 0.039 0.000 2.649 682 V HA -0.008 4.112 4.120 0.000 0.000 0.248 682 V C 2.072 178.186 176.094 0.033 0.000 1.054 682 V CA 1.003 63.323 62.300 0.033 0.000 1.073 682 V CB -0.316 31.534 31.823 0.045 0.000 0.699 682 V HN 0.118 nan 8.190 nan 0.000 0.463 683 F N 0.731 120.633 119.950 -0.079 0.000 2.084 683 F HA -0.119 4.408 4.527 0.000 0.000 0.296 683 F C 1.855 177.598 175.800 -0.096 0.000 1.111 683 F CA 1.637 59.582 58.000 -0.093 0.000 1.224 683 F CB -0.089 38.831 39.000 -0.133 0.000 0.991 683 F HN 0.066 nan 8.300 nan 0.000 0.471 684 L N 0.858 122.106 121.223 0.043 0.000 2.465 684 L HA 0.182 4.522 4.340 0.000 0.000 0.224 684 L C 1.809 178.625 176.870 -0.090 0.000 1.145 684 L CA 1.038 55.850 54.840 -0.046 0.000 0.834 684 L CB -1.548 40.510 42.059 -0.002 0.000 0.944 684 L HN 0.395 nan 8.230 nan 0.000 0.451 685 G N 0.308 109.060 108.800 -0.081 0.000 2.273 685 G HA2 -0.351 3.609 3.960 0.000 0.000 0.280 685 G HA3 -0.351 3.609 3.960 0.000 0.000 0.280 685 G C 0.342 175.218 174.900 -0.041 0.000 1.047 685 G CA 0.816 45.875 45.100 -0.068 0.000 0.869 685 G HN 0.451 nan 8.290 nan 0.000 0.502 686 K N -0.519 119.865 120.400 -0.025 0.000 2.570 686 K HA 0.312 4.632 4.320 0.000 0.000 0.256 686 K C -0.413 176.183 176.600 -0.006 0.000 0.939 686 K CA -0.677 55.602 56.287 -0.015 0.000 0.833 686 K CB 0.921 33.412 32.500 -0.015 0.000 1.318 686 K HN 0.148 nan 8.250 nan 0.000 0.433 687 Q N 3.633 123.433 119.800 -0.000 0.000 2.402 687 Q HA 0.083 4.423 4.340 0.000 0.000 0.238 687 Q C -0.513 175.492 176.000 0.009 0.000 1.126 687 Q CA -0.012 55.794 55.803 0.006 0.000 0.904 687 Q CB 0.845 29.588 28.738 0.007 0.000 1.357 687 Q HN 0.459 nan 8.270 nan 0.000 0.491 688 E N 0.670 120.876 120.200 0.011 0.000 2.855 688 E HA 0.165 4.515 4.350 0.000 0.000 0.259 688 E C 0.127 176.742 176.600 0.025 0.000 1.390 688 E CA -0.688 55.723 56.400 0.018 0.000 1.069 688 E CB 0.428 30.141 29.700 0.022 0.000 1.172 688 E HN 0.372 nan 8.360 nan 0.000 0.668 689 V N -0.424 119.510 119.914 0.032 0.000 2.617 689 V HA -0.004 4.116 4.120 0.000 0.000 0.304 689 V C 0.519 176.635 176.094 0.037 0.000 1.040 689 V CA -0.448 61.873 62.300 0.033 0.000 1.149 689 V CB -0.466 31.382 31.823 0.040 0.000 0.914 689 V HN 0.748 nan 8.190 nan 0.000 0.487 690 T N 2.429 116.998 114.554 0.025 0.000 2.937 690 T HA 0.228 4.578 4.350 0.000 0.000 0.316 690 T C 1.169 175.874 174.700 0.008 0.000 1.079 690 T CA 0.236 62.347 62.100 0.019 0.000 1.131 690 T CB 0.361 69.234 68.868 0.007 0.000 1.000 690 T HN 0.576 nan 8.240 nan 0.000 0.549 691 I N 2.355 122.927 120.570 0.003 0.000 2.194 691 I HA -0.162 4.008 4.170 0.000 0.000 0.246 691 I C 2.831 178.846 176.117 -0.171 0.000 1.093 691 I CA 1.838 63.089 61.300 -0.082 0.000 1.355 691 I CB -1.016 36.953 38.000 -0.053 0.000 1.046 691 I HN 0.968 nan 8.210 nan 0.000 0.413 692 G N -0.089 108.656 108.800 -0.092 0.000 2.440 692 G HA2 -0.256 3.704 3.960 0.000 0.000 0.218 692 G HA3 -0.256 3.704 3.960 0.000 0.000 0.218 692 G C 1.743 176.613 174.900 -0.050 0.000 1.154 692 G CA 1.044 46.098 45.100 -0.076 0.000 0.767 692 G HN 0.381 nan 8.290 nan 0.000 0.552 693 S N 0.729 116.415 115.700 -0.023 0.000 2.383 693 S HA -0.142 4.328 4.470 0.000 0.000 0.229 693 S C 2.169 176.777 174.600 0.014 0.000 1.030 693 S CA 1.536 59.738 58.200 0.005 0.000 1.002 693 S CB -0.336 62.874 63.200 0.016 0.000 0.829 693 S HN 0.606 nan 8.310 nan 0.000 0.467 694 N N 0.466 119.165 118.700 -0.002 0.000 2.207 694 N HA -0.013 4.727 4.740 0.000 0.000 0.182 694 N C 1.576 177.104 175.510 0.030 0.000 1.020 694 N CA 0.935 54.011 53.050 0.043 0.000 0.858 694 N CB -0.114 38.452 38.487 0.130 0.000 0.991 694 N HN 0.113 nan 8.380 nan 0.000 0.427 695 V N 0.451 120.309 119.914 -0.093 0.000 2.490 695 V HA -0.185 3.935 4.120 0.000 0.000 0.250 695 V C 1.999 178.141 176.094 0.080 0.000 1.061 695 V CA 1.490 63.772 62.300 -0.030 0.000 1.064 695 V CB -0.531 31.220 31.823 -0.120 0.000 0.670 695 V HN 0.280 nan 8.190 nan 0.000 0.461 696 S N -0.395 115.343 115.700 0.063 0.000 2.382 696 S HA -0.200 4.270 4.470 0.000 0.000 0.228 696 S C 1.983 176.683 174.600 0.167 0.000 1.027 696 S CA 1.372 59.656 58.200 0.140 0.000 0.991 696 S CB -0.254 62.999 63.200 0.089 0.000 0.823 696 S HN 0.602 nan 8.310 nan 0.000 0.469 697 K N 0.869 121.331 120.400 0.104 0.000 2.097 697 K HA 0.024 4.344 4.320 0.000 0.000 0.206 697 K C 1.908 178.561 176.600 0.088 0.000 1.049 697 K CA 1.135 57.467 56.287 0.076 0.000 0.933 697 K CB -0.272 32.255 32.500 0.044 0.000 0.717 697 K HN 0.361 nan 8.250 nan 0.000 0.442 698 I N -0.191 120.455 120.570 0.126 0.000 2.286 698 I HA -0.263 3.907 4.170 0.000 0.000 0.245 698 I C 2.327 178.544 176.117 0.166 0.000 1.104 698 I CA 1.020 62.411 61.300 0.151 0.000 1.397 698 I CB -0.345 37.765 38.000 0.184 0.000 1.072 698 I HN 0.143 nan 8.210 nan 0.000 0.417 699 Y N 2.223 122.561 120.300 0.064 0.000 2.207 699 Y HA -0.248 4.302 4.550 0.000 0.000 0.287 699 Y C 2.306 178.233 175.900 0.044 0.000 1.156 699 Y CA 1.647 59.773 58.100 0.044 0.000 1.182 699 Y CB -0.311 38.158 38.460 0.016 0.000 0.979 699 Y HN 0.200 nan 8.280 nan 0.000 0.521 700 E N -0.319 119.831 120.200 -0.083 0.000 2.216 700 E HA -0.068 4.282 4.350 0.000 0.000 0.192 700 E C 2.274 178.826 176.600 -0.080 0.000 0.988 700 E CA 0.659 56.967 56.400 -0.154 0.000 0.834 700 E CB -0.194 29.496 29.700 -0.017 0.000 0.772 700 E HN 0.555 nan 8.360 nan 0.000 0.479 701 A N 0.859 123.687 122.820 0.014 0.000 2.014 701 A HA -0.082 4.238 4.320 0.000 0.000 0.218 701 A C 2.041 179.665 177.584 0.067 0.000 1.163 701 A CA 0.736 52.833 52.037 0.101 0.000 0.652 701 A CB -0.281 18.857 19.000 0.231 0.000 0.808 701 A HN 0.114 nan 8.150 nan 0.000 0.449 702 I N -0.996 119.574 120.570 -0.001 0.000 2.339 702 I HA -0.111 4.059 4.170 0.000 0.000 0.245 702 I C 2.020 178.088 176.117 -0.081 0.000 1.096 702 I CA 0.764 62.051 61.300 -0.021 0.000 1.408 702 I CB -0.144 37.855 38.000 -0.002 0.000 1.092 702 I HN 0.066 nan 8.210 nan 0.000 0.423 703 K N 0.906 121.178 120.400 -0.213 0.000 2.283 703 K HA -0.052 4.268 4.320 0.000 0.000 0.202 703 K C 2.134 178.674 176.600 -0.100 0.000 1.048 703 K CA 1.458 57.621 56.287 -0.207 0.000 0.948 703 K CB -0.298 31.957 32.500 -0.408 0.000 0.742 703 K HN 0.404 nan 8.250 nan 0.000 0.458 704 S N -1.147 114.510 115.700 -0.071 0.000 2.501 704 S HA 0.098 4.568 4.470 0.000 0.000 0.220 704 S C 1.571 176.181 174.600 0.016 0.000 0.997 704 S CA 0.800 58.988 58.200 -0.019 0.000 0.919 704 S CB 0.222 63.420 63.200 -0.003 0.000 0.778 704 S HN 0.364 nan 8.310 nan 0.000 0.523 705 G N 2.029 110.843 108.800 0.023 0.000 2.217 705 G HA2 -0.364 3.596 3.960 0.000 0.000 0.246 705 G HA3 -0.364 3.596 3.960 0.000 0.000 0.246 705 G C 0.916 175.833 174.900 0.028 0.000 0.990 705 G CA 0.432 45.559 45.100 0.044 0.000 0.627 705 G HN 0.554 nan 8.290 nan 0.000 0.522 706 R N 0.459 120.988 120.500 0.049 0.000 2.154 706 R HA 0.029 4.370 4.340 0.000 0.000 0.248 706 R C 2.430 178.714 176.300 -0.026 0.000 1.155 706 R CA 1.933 58.078 56.100 0.074 0.000 0.979 706 R CB -0.325 30.083 30.300 0.180 0.000 0.869 706 R HN 0.607 nan 8.270 nan 0.000 0.452 707 I N 0.977 121.509 120.570 -0.063 0.000 2.928 707 I HA -0.197 3.973 4.170 0.000 0.000 0.266 707 I C 0.837 176.804 176.117 -0.249 0.000 1.234 707 I CA 0.561 61.683 61.300 -0.296 0.000 1.483 707 I CB -0.123 37.806 38.000 -0.119 0.000 1.097 707 I HN 0.275 nan 8.210 nan 0.000 0.455 708 N N 1.554 120.178 118.700 -0.126 0.000 2.036 708 N HA -0.263 4.477 4.740 0.000 0.000 0.195 708 N C 1.382 176.822 175.510 -0.117 0.000 1.037 708 N CA 2.063 55.054 53.050 -0.098 0.000 0.855 708 N CB -0.937 37.525 38.487 -0.041 0.000 1.033 708 N HN 0.508 nan 8.380 nan 0.000 0.423 709 N N 0.199 118.830 118.700 -0.114 0.000 2.149 709 N HA -0.097 4.643 4.740 0.000 0.000 0.188 709 N C 1.755 177.178 175.510 -0.145 0.000 1.019 709 N CA 0.927 53.916 53.050 -0.102 0.000 0.857 709 N CB -0.004 38.440 38.487 -0.072 0.000 0.997 709 N HN -0.018 nan 8.380 nan 0.000 0.426 710 V N 1.453 121.213 119.914 -0.258 0.000 2.287 710 V HA -0.229 3.891 4.120 0.000 0.000 0.248 710 V C 2.178 178.160 176.094 -0.186 0.000 1.053 710 V CA 1.508 63.630 62.300 -0.297 0.000 1.027 710 V CB -0.617 30.820 31.823 -0.642 0.000 0.646 710 V HN 0.306 nan 8.190 nan 0.000 0.447 711 L N -0.856 120.261 121.223 -0.175 0.000 2.046 711 L HA -0.175 4.165 4.340 0.000 0.000 0.208 711 L C 2.444 179.264 176.870 -0.083 0.000 1.077 711 L CA 1.180 55.954 54.840 -0.110 0.000 0.747 711 L CB -0.585 41.417 42.059 -0.094 0.000 0.896 711 L HN 0.336 nan 8.230 nan 0.000 0.432 712 L N 0.091 121.263 121.223 -0.084 0.000 2.046 712 L HA -0.121 4.219 4.340 0.000 0.000 0.208 712 L C 1.487 178.324 176.870 -0.055 0.000 1.077 712 L CA 1.526 56.326 54.840 -0.066 0.000 0.747 712 L CB -0.538 41.484 42.059 -0.061 0.000 0.896 712 L HN 0.081 nan 8.230 nan 0.000 0.432 716 A N 0.000 122.798 122.820 -0.036 0.000 2.254 716 A HA 0.000 4.320 4.320 0.000 0.000 0.244 716 A CA 0.000 52.018 52.037 -0.032 0.000 0.836 716 A CB 0.000 18.980 19.000 -0.033 0.000 0.831 716 A HN 0.000 nan 8.150 nan 0.000 0.486