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 1us3_1_A DATA FIRST_RESID 98 DATA SEQUENCE DMANGWRGNA SGSTSHSGIT YSADGVTFAA LGDGVGAVFD IXXXXXXXXX DATA SEQUENCE XXAMVVNVSA EFKASEANLQ IFAQLKEDWS KXEWDcLAAS SELTXXXDLT DATA SEQUENCE LTcTXXXXXX KFNQTXXDVQ VGIQAKGTPA GTITIKSVTI TXXXXAYSAN DATA SEQUENCE VDHLRDLAPS DFPIGVAVSN TDSATYNLLT NSREQAVVKK HFNHLTAGNI DATA SEQUENCE MKMSYMQPTE GNFNFTNADA FVDWATENNM TVHGHALVWH SDYQVPNFMK DATA SEQUENCE NWAGSAEDFL AALDTHITTI VDHYEAKGNL VSWDVVNEAI DDNSPANFRT DATA SEQUENCE TDSAFYVKSG NSSVYIERAF QTARAADPAV ILYYNDYNIE QNNAKTTKMV DATA SEQUENCE DMVKDFQARS IPIDGVGFQM HVcMNYPSIA NISAAMKKVV DLGLLVKITE DATA SEQUENCE LDVAVNQPHc DAYPANKINP LTEAAQLAQK KRYcDVVKAY LDTVPVNQRG DATA SEQUENCE GISVWGTTDA NTWLDGLYRE QFEDEKISWP LLFDNNYNDK PALRGFADAL DATA SEQUENCE IGTQcTNTH 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 98 D HA 0.000 nan 4.640 nan 0.000 0.175 98 D C 0.000 176.433 176.300 0.221 0.000 2.045 98 D CA 0.000 54.035 54.000 0.059 0.000 0.868 98 D CB 0.000 40.819 40.800 0.031 0.000 0.688 99 M N 1.405 121.122 119.600 0.195 0.000 2.475 99 M HA 0.394 4.874 4.480 -0.000 0.000 0.283 99 M C 0.940 177.385 176.300 0.242 0.000 1.165 99 M CA -0.056 55.357 55.300 0.188 0.000 0.976 99 M CB 0.462 33.056 32.600 -0.011 0.000 1.428 99 M HN 0.363 nan 8.290 nan 0.000 0.495 100 A N -0.003 122.948 122.820 0.218 0.000 2.551 100 A HA 0.379 4.699 4.320 -0.000 0.000 0.252 100 A C 0.310 177.743 177.584 -0.252 0.000 1.199 100 A CA -0.140 51.855 52.037 -0.070 0.000 0.972 100 A CB 0.634 19.559 19.000 -0.124 0.000 1.153 100 A HN 0.386 nan 8.150 nan 0.000 0.559 101 N N -1.327 117.471 118.700 0.164 0.000 2.367 101 N HA 0.435 5.174 4.740 -0.000 0.000 0.278 101 N C 0.307 176.000 175.510 0.305 0.000 1.117 101 N CA 0.453 53.614 53.050 0.185 0.000 0.867 101 N CB 2.116 40.630 38.487 0.045 0.000 1.649 101 N HN 0.580 nan 8.380 nan 0.000 0.479 102 G N 0.771 109.747 108.800 0.293 0.000 2.176 102 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.232 102 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.232 102 G C -0.606 174.360 174.900 0.109 0.000 0.986 102 G CA -0.321 44.867 45.100 0.148 0.000 0.643 102 G HN 0.495 nan 8.290 nan 0.000 0.522 103 W N 0.611 122.031 121.300 0.200 0.000 2.303 103 W HA 0.826 5.486 4.660 -0.000 0.000 0.334 103 W C 0.940 177.472 176.519 0.022 0.000 1.197 103 W CA -0.471 56.932 57.345 0.096 0.000 1.262 103 W CB 0.779 30.226 29.460 -0.021 0.000 1.153 103 W HN 0.052 nan 8.180 nan 0.000 0.596 104 R N 0.688 121.327 120.500 0.232 0.000 2.698 104 R HA 0.479 4.819 4.340 -0.000 0.000 0.275 104 R C 0.002 176.283 176.300 -0.033 0.000 1.001 104 R CA -0.989 55.151 56.100 0.066 0.000 0.896 104 R CB 1.819 32.124 30.300 0.008 0.000 1.218 104 R HN 0.703 nan 8.270 nan 0.000 0.462 105 G N 1.059 109.754 108.800 -0.175 0.000 2.483 105 G HA2 0.195 4.155 3.960 -0.000 0.000 0.248 105 G HA3 0.195 4.155 3.960 -0.000 0.000 0.248 105 G C -0.549 173.848 174.900 -0.838 0.000 1.248 105 G CA -0.029 44.787 45.100 -0.474 0.000 0.838 105 G HN 0.541 nan 8.290 nan 0.000 0.566 106 N N -0.962 117.346 118.700 -0.653 0.000 2.264 106 N HA 0.614 5.354 4.740 -0.000 0.000 0.288 106 N C -0.866 174.541 175.510 -0.171 0.000 1.094 106 N CA -0.426 52.389 53.050 -0.392 0.000 0.817 106 N CB 2.065 40.479 38.487 -0.122 0.000 1.604 106 N HN 0.700 nan 8.380 nan 0.000 0.473 107 A N 1.170 123.964 122.820 -0.045 0.000 2.310 107 A HA 0.443 4.763 4.320 -0.000 0.000 0.304 107 A C 0.450 177.972 177.584 -0.102 0.000 1.231 107 A CA -0.401 51.634 52.037 -0.003 0.000 0.799 107 A CB 0.435 19.491 19.000 0.094 0.000 1.162 107 A HN 0.747 nan 8.150 nan 0.000 0.486 108 S N 1.847 117.461 115.700 -0.143 0.000 2.524 108 S HA 0.326 4.796 4.470 -0.000 0.000 0.216 108 S C 0.981 175.481 174.600 -0.167 0.000 0.987 108 S CA 0.552 58.633 58.200 -0.199 0.000 0.909 108 S CB 0.080 63.097 63.200 -0.305 0.000 0.781 108 S HN 1.129 nan 8.310 nan 0.000 0.521 109 G N 1.267 109.995 108.800 -0.120 0.000 2.857 109 G HA2 0.468 4.428 3.960 -0.000 0.000 0.217 109 G HA3 0.468 4.428 3.960 -0.000 0.000 0.217 109 G C 0.765 175.624 174.900 -0.069 0.000 1.357 109 G CA 0.075 45.116 45.100 -0.098 0.000 1.033 109 G HN 0.370 nan 8.290 nan 0.000 0.571 110 S N -1.447 114.221 115.700 -0.054 0.000 2.458 110 S HA 0.069 4.539 4.470 -0.000 0.000 0.223 110 S C 1.048 175.629 174.600 -0.031 0.000 1.019 110 S CA 0.668 58.843 58.200 -0.043 0.000 0.937 110 S CB -0.264 62.912 63.200 -0.039 0.000 0.788 110 S HN 0.383 nan 8.310 nan 0.000 0.511 111 T N 3.709 118.250 114.554 -0.021 0.000 2.888 111 T HA 0.306 4.656 4.350 -0.000 0.000 0.301 111 T C 0.097 174.795 174.700 -0.004 0.000 1.001 111 T CA -0.041 62.054 62.100 -0.008 0.000 1.147 111 T CB 0.820 69.693 68.868 0.010 0.000 0.931 111 T HN 0.316 nan 8.240 nan 0.000 0.541 112 S N 2.468 118.151 115.700 -0.027 0.000 2.572 112 S HA 0.188 4.658 4.470 -0.000 0.000 0.279 112 S C 0.335 174.911 174.600 -0.040 0.000 1.341 112 S CA -0.695 57.461 58.200 -0.073 0.000 1.043 112 S CB 0.108 63.227 63.200 -0.136 0.000 0.887 112 S HN 0.876 nan 8.310 nan 0.000 0.516 113 H N -0.713 118.358 119.070 0.001 0.000 2.505 113 H HA 0.603 5.159 4.556 -0.000 0.000 0.358 113 H C 0.450 175.798 175.328 0.033 0.000 1.304 113 H CA -0.570 55.492 56.048 0.022 0.000 1.393 113 H CB 0.484 30.241 29.762 -0.008 0.000 1.591 113 H HN 0.411 nan 8.280 nan 0.000 0.595 114 S N -0.184 115.618 115.700 0.171 0.000 2.661 114 S HA 0.477 4.947 4.470 -0.000 0.000 0.245 114 S C 0.897 175.619 174.600 0.202 0.000 1.117 114 S CA -0.208 58.055 58.200 0.105 0.000 1.091 114 S CB -0.859 62.388 63.200 0.078 0.000 0.887 114 S HN 1.377 nan 8.310 nan 0.000 0.491 115 G N 1.920 110.976 108.800 0.426 0.000 2.601 115 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.252 115 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.252 115 G C -0.428 174.556 174.900 0.140 0.000 1.294 115 G CA 0.117 45.369 45.100 0.253 0.000 0.912 115 G HN 1.487 nan 8.290 nan 0.000 0.574 116 I N -3.885 116.716 120.570 0.051 0.000 3.002 116 I HA 0.874 5.044 4.170 -0.000 0.000 0.310 116 I C -0.010 176.054 176.117 -0.088 0.000 1.087 116 I CA -0.933 60.356 61.300 -0.018 0.000 1.017 116 I CB 2.182 40.115 38.000 -0.112 0.000 1.226 116 I HN 0.636 nan 8.210 nan 0.000 0.443 117 T N 2.188 116.666 114.554 -0.127 0.000 2.812 117 T HA 0.504 4.854 4.350 -0.000 0.000 0.282 117 T C -1.139 173.456 174.700 -0.175 0.000 0.990 117 T CA -0.144 61.895 62.100 -0.102 0.000 0.960 117 T CB 0.491 69.339 68.868 -0.033 0.000 0.948 117 T HN 0.339 nan 8.240 nan 0.000 0.438 118 Y N 2.583 122.878 120.300 -0.007 0.000 2.336 118 Y HA 0.493 5.043 4.550 -0.000 0.000 0.335 118 Y C 1.142 177.022 175.900 -0.032 0.000 1.046 118 Y CA -0.289 57.793 58.100 -0.030 0.000 1.198 118 Y CB 0.909 39.367 38.460 -0.004 0.000 1.182 118 Y HN 0.726 nan 8.280 nan 0.000 0.502 119 S N 0.872 116.641 115.700 0.115 0.000 2.732 119 S HA 0.743 5.213 4.470 -0.000 0.000 0.293 119 S C 0.729 175.349 174.600 0.034 0.000 1.159 119 S CA -0.409 57.823 58.200 0.052 0.000 0.847 119 S CB 1.311 64.515 63.200 0.006 0.000 1.169 119 S HN 0.679 nan 8.310 nan 0.000 0.501 120 A N 0.309 123.136 122.820 0.012 0.000 2.125 120 A HA -0.021 4.299 4.320 -0.000 0.000 0.219 120 A C 1.517 179.093 177.584 -0.013 0.000 1.156 120 A CA 1.618 53.655 52.037 -0.000 0.000 0.671 120 A CB -0.963 18.034 19.000 -0.004 0.000 0.794 120 A HN 0.844 nan 8.150 nan 0.000 0.459 121 D N -1.443 118.943 120.400 -0.023 0.000 2.289 121 D HA 0.268 4.907 4.640 -0.000 0.000 0.207 121 D C 1.340 177.601 176.300 -0.066 0.000 0.966 121 D CA 1.278 55.252 54.000 -0.044 0.000 0.868 121 D CB 0.498 41.266 40.800 -0.053 0.000 0.943 121 D HN 0.535 nan 8.370 nan 0.000 0.514 122 G N 0.030 108.791 108.800 -0.065 0.000 2.013 122 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.076 122 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.076 122 G C -1.236 173.562 174.900 -0.170 0.000 1.053 122 G CA -0.277 44.755 45.100 -0.113 0.000 1.230 122 G HN 0.075 nan 8.290 nan 0.000 0.431 123 V N 1.723 121.430 119.914 -0.345 0.000 2.483 123 V HA 0.708 4.828 4.120 -0.000 0.000 0.297 123 V C -0.223 175.691 176.094 -0.299 0.000 1.027 123 V CA -0.157 61.872 62.300 -0.452 0.000 0.855 123 V CB 1.457 32.721 31.823 -0.933 0.000 0.995 123 V HN 0.846 nan 8.190 nan 0.000 0.424 124 T N 6.041 120.477 114.554 -0.197 0.000 2.855 124 T HA 0.789 5.139 4.350 -0.000 0.000 0.281 124 T C -0.726 173.973 174.700 -0.002 0.000 1.007 124 T CA -0.261 61.754 62.100 -0.141 0.000 1.009 124 T CB 1.247 70.035 68.868 -0.134 0.000 0.983 124 T HN 0.551 nan 8.240 nan 0.000 0.455 125 F N -0.107 119.778 119.950 -0.108 0.000 2.599 125 F HA 0.868 5.395 4.527 -0.000 0.000 0.311 125 F C -0.513 175.275 175.800 -0.020 0.000 1.076 125 F CA -1.875 56.097 58.000 -0.046 0.000 0.937 125 F CB 0.884 39.875 39.000 -0.016 0.000 1.282 125 F HN 0.616 nan 8.300 nan 0.000 0.460 126 A N 1.695 124.604 122.820 0.149 0.000 2.354 126 A HA 0.646 4.966 4.320 -0.000 0.000 0.281 126 A C 0.190 177.913 177.584 0.231 0.000 1.174 126 A CA -0.201 51.887 52.037 0.084 0.000 0.828 126 A CB -0.230 18.829 19.000 0.098 0.000 1.099 126 A HN 1.483 nan 8.150 nan 0.000 0.516 127 A N 3.612 126.512 122.820 0.134 0.000 3.037 127 A HA 0.435 4.755 4.320 -0.000 0.000 0.272 127 A C 0.911 178.635 177.584 0.233 0.000 1.723 127 A CA -0.341 51.871 52.037 0.292 0.000 1.413 127 A CB -0.728 18.483 19.000 0.351 0.000 1.112 127 A HN 0.887 nan 8.150 nan 0.000 0.606 128 L N 0.750 122.100 121.223 0.211 0.000 2.217 128 L HA 0.149 4.489 4.340 -0.000 0.000 0.211 128 L C 1.397 178.326 176.870 0.097 0.000 1.107 128 L CA 1.010 55.928 54.840 0.129 0.000 0.783 128 L CB -0.187 41.939 42.059 0.112 0.000 0.919 128 L HN 0.708 nan 8.230 nan 0.000 0.442 129 G N -1.397 107.472 108.800 0.114 0.000 2.441 129 G HA2 0.118 4.078 3.960 -0.000 0.000 0.294 129 G HA3 0.118 4.078 3.960 -0.000 0.000 0.294 129 G C -1.970 172.975 174.900 0.076 0.000 1.393 129 G CA -0.716 44.426 45.100 0.070 0.000 0.796 129 G HN -0.104 nan 8.290 nan 0.000 0.494 130 D N -0.645 119.775 120.400 0.034 0.000 2.450 130 D HA 0.425 5.065 4.640 -0.000 0.000 0.247 130 D C 1.421 177.722 176.300 0.003 0.000 1.162 130 D CA 2.328 56.339 54.000 0.018 0.000 0.879 130 D CB 0.360 41.148 40.800 -0.020 0.000 1.163 130 D HN 1.691 nan 8.370 nan 0.000 0.472 131 G N 2.239 111.042 108.800 0.006 0.000 2.157 131 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.248 131 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.248 131 G C 0.254 175.145 174.900 -0.015 0.000 0.979 131 G CA 0.134 45.204 45.100 -0.049 0.000 0.650 131 G HN 0.583 nan 8.290 nan 0.000 0.529 132 V N 0.722 120.674 119.914 0.064 0.000 2.498 132 V HA 0.742 4.862 4.120 -0.000 0.000 0.279 132 V C 0.997 177.081 176.094 -0.017 0.000 1.048 132 V CA 0.931 63.275 62.300 0.074 0.000 0.967 132 V CB 1.141 33.068 31.823 0.172 0.000 0.988 132 V HN 1.125 nan 8.190 nan 0.000 0.473 133 G N 3.075 111.685 108.800 -0.317 0.000 2.634 133 G HA2 0.793 4.753 3.960 -0.000 0.000 0.309 133 G HA3 0.793 4.753 3.960 -0.000 0.000 0.309 133 G C -1.494 172.866 174.900 -0.901 0.000 1.299 133 G CA -0.055 44.546 45.100 -0.832 0.000 0.798 133 G HN 1.054 nan 8.290 nan 0.000 0.490 134 A N -0.933 121.512 122.820 -0.625 0.000 2.422 134 A HA 0.915 5.235 4.320 -0.000 0.000 0.302 134 A C -0.559 177.148 177.584 0.204 0.000 1.041 134 A CA -0.138 51.812 52.037 -0.146 0.000 0.708 134 A CB 1.681 20.677 19.000 -0.007 0.000 1.257 134 A HN 2.228 nan 8.150 nan 0.000 0.414 135 V N -0.420 119.609 119.914 0.192 0.000 3.114 135 V HA 0.991 5.111 4.120 -0.000 0.000 0.308 135 V C -0.798 175.175 176.094 -0.203 0.000 1.168 135 V CA -0.958 61.315 62.300 -0.045 0.000 1.015 135 V CB 1.413 33.181 31.823 -0.092 0.000 1.050 135 V HN 1.569 nan 8.190 nan 0.000 0.433 136 F N -0.291 119.255 119.950 -0.674 0.000 2.675 136 F HA 0.953 5.480 4.527 -0.000 0.000 0.324 136 F C -0.996 174.575 175.800 -0.381 0.000 1.106 136 F CA -1.043 56.546 58.000 -0.685 0.000 0.970 136 F CB 1.204 39.451 39.000 -1.255 0.000 1.385 136 F HN 0.467 nan 8.300 nan 0.000 0.489 137 D N 1.241 121.495 120.400 -0.244 0.000 2.252 137 D HA 0.593 5.233 4.640 -0.000 0.000 0.245 137 D C -0.351 175.859 176.300 -0.149 0.000 1.009 137 D CA -0.035 53.830 54.000 -0.226 0.000 0.870 137 D CB 2.259 43.002 40.800 -0.096 0.000 1.251 137 D HN 0.370 nan 8.370 nan 0.000 0.460 151 M N 1.741 121.386 119.600 0.076 0.000 2.644 151 M HA 0.660 5.140 4.480 -0.000 0.000 0.316 151 M C -0.507 175.817 176.300 0.041 0.000 1.200 151 M CA -1.093 54.251 55.300 0.072 0.000 0.944 151 M CB 2.108 34.767 32.600 0.098 0.000 1.691 151 M HN 0.328 nan 8.290 nan 0.000 0.471 152 V N 2.516 122.442 119.914 0.020 0.000 2.417 152 V HA 0.679 4.799 4.120 -0.000 0.000 0.291 152 V C -0.341 175.737 176.094 -0.026 0.000 1.024 152 V CA -0.695 61.604 62.300 -0.001 0.000 0.861 152 V CB 1.604 33.423 31.823 -0.006 0.000 0.985 152 V HN 0.734 nan 8.190 nan 0.000 0.436 153 V N 2.014 121.908 119.914 -0.033 0.000 3.078 153 V HA 0.752 4.872 4.120 -0.000 0.000 0.311 153 V C -0.951 175.098 176.094 -0.076 0.000 1.138 153 V CA -0.854 61.407 62.300 -0.066 0.000 1.007 153 V CB 2.255 34.040 31.823 -0.064 0.000 1.045 153 V HN 0.847 nan 8.190 nan 0.000 0.432 154 N N 1.121 119.754 118.700 -0.112 0.000 2.500 154 N HA 0.650 5.390 4.740 -0.000 0.000 0.291 154 N C -0.942 174.474 175.510 -0.156 0.000 1.092 154 N CA -0.543 52.445 53.050 -0.104 0.000 0.890 154 N CB 2.065 40.503 38.487 -0.082 0.000 1.466 154 N HN 1.129 nan 8.380 nan 0.000 0.507 155 V N 2.012 121.840 119.914 -0.143 0.000 2.716 155 V HA 0.716 4.836 4.120 -0.000 0.000 0.304 155 V C 0.652 176.706 176.094 -0.068 0.000 1.053 155 V CA -0.628 61.556 62.300 -0.193 0.000 0.984 155 V CB 1.334 33.025 31.823 -0.220 0.000 1.021 155 V HN 0.717 nan 8.190 nan 0.000 0.467 156 S N 3.517 119.190 115.700 -0.046 0.000 2.600 156 S HA 0.533 5.003 4.470 -0.000 0.000 0.265 156 S C 1.399 176.041 174.600 0.070 0.000 1.325 156 S CA 0.096 58.302 58.200 0.010 0.000 1.002 156 S CB 1.130 64.334 63.200 0.007 0.000 0.921 156 S HN 1.901 nan 8.310 nan 0.000 0.554 157 A N 1.068 123.913 122.820 0.042 0.000 1.933 157 A HA -0.051 4.269 4.320 -0.000 0.000 0.218 157 A C 2.076 179.688 177.584 0.047 0.000 1.175 157 A CA 1.672 53.733 52.037 0.041 0.000 0.628 157 A CB -1.152 17.859 19.000 0.019 0.000 0.814 157 A HN 0.966 nan 8.150 nan 0.000 0.444 158 E N -1.630 118.599 120.200 0.049 0.000 2.204 158 E HA -0.135 4.215 4.350 -0.000 0.000 0.195 158 E C 1.599 178.229 176.600 0.050 0.000 0.990 158 E CA 1.024 57.447 56.400 0.037 0.000 0.821 158 E CB -0.210 29.510 29.700 0.033 0.000 0.750 158 E HN 0.716 nan 8.360 nan 0.000 0.477 159 F N 1.649 121.579 119.950 -0.034 0.000 2.113 159 F HA -0.153 4.374 4.527 -0.000 0.000 0.297 159 F C 2.270 178.060 175.800 -0.018 0.000 1.103 159 F CA 1.516 59.497 58.000 -0.032 0.000 1.248 159 F CB 0.052 39.020 39.000 -0.054 0.000 0.999 159 F HN -0.211 nan 8.300 nan 0.000 0.475 160 K N 0.899 121.381 120.400 0.137 0.000 2.032 160 K HA -0.137 4.182 4.320 -0.000 0.000 0.209 160 K C 2.050 178.620 176.600 -0.050 0.000 1.048 160 K CA 1.629 57.946 56.287 0.051 0.000 0.927 160 K CB -0.788 31.759 32.500 0.078 0.000 0.712 160 K HN 0.240 nan 8.250 nan 0.000 0.441 161 A N 0.344 123.140 122.820 -0.040 0.000 1.978 161 A HA -0.171 4.149 4.320 -0.000 0.000 0.220 161 A C 2.163 179.689 177.584 -0.097 0.000 1.170 161 A CA 2.168 54.173 52.037 -0.052 0.000 0.636 161 A CB -1.009 17.973 19.000 -0.030 0.000 0.810 161 A HN 0.592 nan 8.150 nan 0.000 0.448 162 S N -1.522 114.078 115.700 -0.167 0.000 2.423 162 S HA -0.094 4.376 4.470 -0.000 0.000 0.231 162 S C 0.809 175.280 174.600 -0.214 0.000 1.014 162 S CA 1.285 59.360 58.200 -0.208 0.000 0.965 162 S CB -0.281 62.734 63.200 -0.308 0.000 0.785 162 S HN 0.638 nan 8.310 nan 0.000 0.495 163 E N -0.755 119.306 120.200 -0.232 0.000 3.927 163 E HA -0.161 4.189 4.350 -0.000 0.000 0.330 163 E C 0.227 176.708 176.600 -0.199 0.000 0.751 163 E CA 0.337 56.638 56.400 -0.166 0.000 1.254 163 E CB -2.062 27.579 29.700 -0.099 0.000 1.643 163 E HN 0.803 nan 8.360 nan 0.000 0.430 164 A N 0.955 123.549 122.820 -0.378 0.000 2.407 164 A HA 0.432 4.752 4.320 -0.000 0.000 0.248 164 A C 0.378 177.870 177.584 -0.153 0.000 1.082 164 A CA -0.274 51.566 52.037 -0.329 0.000 0.785 164 A CB 0.393 19.096 19.000 -0.494 0.000 1.020 164 A HN 0.197 nan 8.150 nan 0.000 0.489 165 N N 0.318 119.047 118.700 0.049 0.000 2.458 165 N HA 0.508 5.248 4.740 -0.000 0.000 0.271 165 N C -0.921 174.783 175.510 0.324 0.000 1.210 165 N CA -0.286 52.869 53.050 0.174 0.000 0.978 165 N CB 0.970 39.524 38.487 0.112 0.000 1.206 165 N HN 0.555 nan 8.380 nan 0.000 0.536 166 L N 0.776 122.174 121.223 0.292 0.000 2.322 166 L HA 0.351 4.691 4.340 -0.000 0.000 0.281 166 L C 0.161 177.166 176.870 0.227 0.000 1.014 166 L CA -0.507 54.495 54.840 0.271 0.000 0.815 166 L CB 1.538 43.713 42.059 0.194 0.000 1.247 166 L HN 0.393 nan 8.230 nan 0.000 0.421 167 Q N 4.447 124.405 119.800 0.263 0.000 2.357 167 Q HA 0.479 4.819 4.340 -0.000 0.000 0.266 167 Q C -0.966 175.260 176.000 0.377 0.000 1.021 167 Q CA -0.579 55.396 55.803 0.288 0.000 0.784 167 Q CB 1.266 30.164 28.738 0.267 0.000 1.243 167 Q HN 0.564 nan 8.270 nan 0.000 0.465 168 I N 5.246 125.981 120.570 0.275 0.000 2.634 168 I HA 0.292 4.462 4.170 -0.000 0.000 0.284 168 I C -0.079 176.222 176.117 0.308 0.000 1.124 168 I CA -0.155 61.268 61.300 0.204 0.000 1.417 168 I CB 0.104 38.179 38.000 0.125 0.000 1.396 168 I HN 0.581 nan 8.210 nan 0.000 0.571 169 F N 3.448 123.471 119.950 0.123 0.000 2.741 169 F HA 0.904 5.431 4.527 -0.000 0.000 0.313 169 F C -1.140 174.676 175.800 0.026 0.000 1.153 169 F CA -1.034 57.033 58.000 0.112 0.000 0.931 169 F CB 1.312 40.448 39.000 0.227 0.000 1.335 169 F HN 0.472 nan 8.300 nan 0.000 0.460 170 A N 1.524 124.437 122.820 0.154 0.000 2.515 170 A HA 0.794 5.114 4.320 -0.000 0.000 0.298 170 A C -1.679 175.938 177.584 0.055 0.000 1.059 170 A CA -0.542 51.492 52.037 -0.006 0.000 0.698 170 A CB 2.033 20.970 19.000 -0.105 0.000 1.289 170 A HN 1.165 nan 8.150 nan 0.000 0.404 171 Q N 1.301 121.130 119.800 0.049 0.000 2.391 171 Q HA 0.663 5.003 4.340 -0.000 0.000 0.279 171 Q C -1.868 174.107 176.000 -0.042 0.000 1.028 171 Q CA -0.842 54.969 55.803 0.014 0.000 0.836 171 Q CB 1.337 30.180 28.738 0.174 0.000 1.414 171 Q HN 0.541 nan 8.270 nan 0.000 0.397 172 L N 2.060 123.207 121.223 -0.126 0.000 2.410 172 L HA 0.259 4.599 4.340 -0.000 0.000 0.273 172 L C 0.139 176.756 176.870 -0.421 0.000 1.152 172 L CA 0.118 54.827 54.840 -0.218 0.000 0.855 172 L CB 0.503 42.438 42.059 -0.207 0.000 1.129 172 L HN 0.499 nan 8.230 nan 0.000 0.463 173 K N 3.933 124.038 120.400 -0.491 0.000 2.349 173 K HA 0.111 4.430 4.320 -0.000 0.000 0.288 173 K C 0.433 176.423 176.600 -1.017 0.000 1.058 173 K CA 0.061 55.809 56.287 -0.899 0.000 0.953 173 K CB 0.544 32.792 32.500 -0.420 0.000 0.997 173 K HN 0.636 nan 8.250 nan 0.000 0.477 174 E N 0.849 119.925 120.200 -1.873 0.000 4.756 174 E HA -0.260 4.090 4.350 -0.000 0.000 0.242 174 E C -0.522 175.583 176.600 -0.824 0.000 0.834 174 E CA 1.532 57.249 56.400 -1.137 0.000 2.024 174 E CB -0.648 28.804 29.700 -0.412 0.000 1.768 174 E HN 0.724 nan 8.360 nan 0.000 0.481 175 D N -0.416 119.594 120.400 -0.651 0.000 2.639 175 D HA 0.186 4.826 4.640 -0.000 0.000 0.233 175 D C 0.389 176.537 176.300 -0.253 0.000 1.161 175 D CA -0.168 53.634 54.000 -0.331 0.000 1.003 175 D CB -0.074 40.598 40.800 -0.214 0.000 1.034 175 D HN 0.222 nan 8.370 nan 0.000 0.514 176 W N 0.975 122.281 121.300 0.011 0.000 2.467 176 W HA -0.090 4.570 4.660 -0.000 0.000 0.275 176 W C 2.618 179.170 176.519 0.055 0.000 1.239 176 W CA 0.494 57.859 57.345 0.033 0.000 1.266 176 W CB -0.093 29.401 29.460 0.056 0.000 1.112 176 W HN 0.347 nan 8.180 nan 0.000 0.576 177 S N -0.287 115.563 115.700 0.251 0.000 2.453 177 S HA 0.003 4.473 4.470 -0.000 0.000 0.231 177 S C 0.973 175.594 174.600 0.035 0.000 1.005 177 S CA 0.327 58.669 58.200 0.236 0.000 0.949 177 S CB -0.175 63.145 63.200 0.202 0.000 0.774 177 S HN 0.094 nan 8.310 nan 0.000 0.510 181 W N -0.050 121.295 121.300 0.075 0.000 2.905 181 W HA 0.186 4.846 4.660 0.000 0.000 0.251 181 W C 2.302 178.861 176.519 0.068 0.000 1.305 181 W CA 0.755 58.139 57.345 0.065 0.000 1.465 181 W CB 0.660 30.140 29.460 0.032 0.000 1.122 181 W HN 0.718 nan 8.180 nan 0.000 0.659 182 D N 0.371 120.920 120.400 0.248 0.000 2.218 182 D HA -0.098 4.542 4.640 -0.000 0.000 0.204 182 D C 0.821 177.213 176.300 0.152 0.000 0.976 182 D CA 0.865 54.966 54.000 0.169 0.000 0.853 182 D CB -0.690 nan 40.800 nan 0.000 0.939 182 D HN 0.090 nan 8.370 nan 0.000 0.481 183 c N -0.293 118.410 118.600 0.171 0.000 2.601 183 c HA 0.753 5.323 4.570 -0.000 0.000 0.409 183 c C -0.017 174.172 174.090 0.164 0.000 1.293 183 c CA -0.456 55.965 56.329 0.152 0.000 2.101 183 c CB 0.072 42.674 42.510 0.153 0.000 2.639 183 c HN 0.651 nan 8.230 nan 0.000 0.592 184 L N 3.016 124.319 121.223 0.133 0.000 2.641 184 L HA 0.595 4.935 4.340 -0.000 0.000 0.261 184 L C -0.593 176.344 176.870 0.111 0.000 0.926 184 L CA 0.001 54.917 54.840 0.127 0.000 0.917 184 L CB 1.151 43.275 42.059 0.108 0.000 1.361 184 L HN 0.784 nan 8.230 nan 0.000 0.417 185 A N 3.884 126.777 122.820 0.122 0.000 2.273 185 A HA 0.908 5.228 4.320 -0.000 0.000 0.315 185 A C 0.032 177.685 177.584 0.116 0.000 1.256 185 A CA 0.077 52.179 52.037 0.109 0.000 0.851 185 A CB 0.866 19.933 19.000 0.111 0.000 1.172 185 A HN 1.061 nan 8.150 nan 0.000 0.508 186 A N 1.875 124.750 122.820 0.091 0.000 2.366 186 A HA 0.486 4.806 4.320 -0.000 0.000 0.249 186 A C 1.617 179.255 177.584 0.090 0.000 1.084 186 A CA 0.440 52.526 52.037 0.080 0.000 0.794 186 A CB 0.215 19.249 19.000 0.056 0.000 1.034 186 A HN 1.308 nan 8.150 nan 0.000 0.491 187 S N 0.320 116.064 115.700 0.072 0.000 2.370 187 S HA -0.189 4.281 4.470 -0.000 0.000 0.226 187 S C 2.149 176.784 174.600 0.059 0.000 1.033 187 S CA 2.416 60.656 58.200 0.067 0.000 1.011 187 S CB -0.667 62.531 63.200 -0.002 0.000 0.852 187 S HN 1.322 nan 8.310 nan 0.000 0.457 188 S N 0.713 116.438 115.700 0.040 0.000 2.440 188 S HA -0.064 4.406 4.470 -0.000 0.000 0.238 188 S C 1.412 176.037 174.600 0.041 0.000 1.010 188 S CA 1.153 59.373 58.200 0.034 0.000 0.972 188 S CB -0.614 62.601 63.200 0.025 0.000 0.774 188 S HN 0.704 nan 8.310 nan 0.000 0.501 189 E N 0.605 120.836 120.200 0.052 0.000 2.482 189 E HA 0.205 4.555 4.350 -0.000 0.000 0.196 189 E C -0.038 176.595 176.600 0.055 0.000 1.047 189 E CA 0.126 56.557 56.400 0.051 0.000 0.869 189 E CB -0.110 29.625 29.700 0.057 0.000 0.836 189 E HN 0.597 nan 8.360 nan 0.000 0.520 190 L N -0.389 120.875 121.223 0.068 0.000 2.334 190 L HA 0.430 4.769 4.340 -0.000 0.000 0.270 190 L C 0.329 177.235 176.870 0.059 0.000 1.018 190 L CA -0.755 54.130 54.840 0.074 0.000 0.811 190 L CB 1.693 43.827 42.059 0.125 0.000 1.271 190 L HN -0.186 nan 8.230 nan 0.000 0.443 196 L N 0.451 121.668 121.223 -0.010 0.000 2.331 196 L HA 0.748 5.088 4.340 -0.000 0.000 0.268 196 L C 0.406 177.280 176.870 0.007 0.000 1.015 196 L CA -0.564 54.278 54.840 0.003 0.000 0.807 196 L CB 1.974 44.039 42.059 0.010 0.000 1.293 196 L HN 0.104 nan 8.230 nan 0.000 0.451 197 T N 2.283 116.848 114.554 0.017 0.000 2.791 197 T HA 0.601 4.951 4.350 -0.000 0.000 0.288 197 T C -0.605 174.116 174.700 0.034 0.000 0.999 197 T CA -0.347 61.767 62.100 0.024 0.000 0.952 197 T CB 0.471 69.353 68.868 0.024 0.000 0.938 197 T HN 0.216 nan 8.240 nan 0.000 0.444 198 L N 4.104 125.352 121.223 0.042 0.000 2.333 198 L HA 0.633 4.973 4.340 -0.000 0.000 0.280 198 L C 0.561 177.467 176.870 0.061 0.000 1.004 198 L CA -0.886 53.987 54.840 0.055 0.000 0.820 198 L CB 1.842 43.940 42.059 0.064 0.000 1.247 198 L HN 0.671 nan 8.230 nan 0.000 0.416 199 T N -1.015 113.575 114.554 0.060 0.000 2.912 199 T HA 0.626 4.976 4.350 -0.000 0.000 0.288 199 T C -0.700 174.039 174.700 0.065 0.000 1.030 199 T CA -0.770 61.366 62.100 0.060 0.000 1.020 199 T CB 2.084 70.982 68.868 0.050 0.000 1.056 199 T HN 0.639 nan 8.240 nan 0.000 0.480 200 c N 2.229 120.867 118.600 0.063 0.000 2.782 200 c HA 0.838 5.408 4.570 -0.000 0.000 0.328 200 c C -0.194 173.924 174.090 0.047 0.000 1.145 200 c CA -0.034 56.331 56.329 0.062 0.000 1.358 200 c CB 0.750 43.302 42.510 0.071 0.000 1.841 200 c HN 1.209 nan 8.230 nan 0.000 0.477 209 F N 1.327 121.243 119.950 -0.056 0.000 2.293 209 F HA 0.327 4.854 4.527 -0.000 0.000 0.297 209 F C 0.562 176.327 175.800 -0.058 0.000 1.089 209 F CA 0.666 58.630 58.000 -0.060 0.000 1.377 209 F CB -0.504 nan 39.000 nan 0.000 1.051 209 F HN 0.127 nan 8.300 nan 0.000 0.511 210 N N 1.368 120.039 118.700 -0.049 0.000 2.426 210 N HA 0.537 5.277 4.740 -0.000 0.000 0.257 210 N C -0.213 175.267 175.510 -0.049 0.000 1.002 210 N CA 0.686 53.709 53.050 -0.046 0.000 0.942 210 N CB 1.116 39.581 38.487 -0.036 0.000 1.112 210 N HN 0.831 nan 8.380 nan 0.000 0.499 211 Q N -0.539 119.229 119.800 -0.055 0.000 2.462 211 Q HA 0.763 5.103 4.340 -0.000 0.000 0.285 211 Q C -0.294 175.673 176.000 -0.055 0.000 1.035 211 Q CA -1.025 54.743 55.803 -0.057 0.000 0.799 211 Q CB 0.799 nan 28.738 nan 0.000 1.452 211 Q HN 0.608 nan 8.270 nan 0.000 0.404 216 V N 2.106 121.932 119.914 -0.146 0.000 2.417 216 V HA 0.488 4.608 4.120 -0.000 0.000 0.291 216 V C 0.028 175.990 176.094 -0.220 0.000 1.024 216 V CA -0.751 61.446 62.300 -0.171 0.000 0.861 216 V CB 1.675 33.397 31.823 -0.168 0.000 0.985 216 V HN 0.465 nan 8.190 nan 0.000 0.436 217 Q N 3.659 123.357 119.800 -0.170 0.000 2.303 217 Q HA 0.653 4.992 4.340 -0.000 0.000 0.257 217 Q C -1.484 174.331 176.000 -0.307 0.000 0.941 217 Q CA -0.262 55.431 55.803 -0.184 0.000 0.931 217 Q CB 1.720 30.510 28.738 0.087 0.000 1.215 217 Q HN 0.639 nan 8.270 nan 0.000 0.437 218 V N 3.325 122.849 119.914 -0.649 0.000 2.735 218 V HA 0.925 5.045 4.120 -0.000 0.000 0.310 218 V C 0.302 175.915 176.094 -0.801 0.000 1.061 218 V CA 0.036 61.870 62.300 -0.776 0.000 0.913 218 V CB 1.782 33.073 31.823 -0.888 0.000 1.005 218 V HN 0.995 nan 8.190 nan 0.000 0.428 219 G N 2.928 111.243 108.800 -0.807 0.000 2.450 219 G HA2 0.575 4.535 3.960 -0.000 0.000 0.273 219 G HA3 0.575 4.535 3.960 -0.000 0.000 0.273 219 G C -1.961 172.671 174.900 -0.447 0.000 1.221 219 G CA -0.192 44.668 45.100 -0.400 0.000 0.900 219 G HN 0.754 nan 8.290 nan 0.000 0.483 220 I N 0.595 121.138 120.570 -0.046 0.000 2.722 220 I HA 0.656 4.826 4.170 -0.000 0.000 0.295 220 I C -1.128 175.207 176.117 0.363 0.000 1.161 220 I CA -0.817 60.609 61.300 0.210 0.000 1.032 220 I CB 2.196 40.342 38.000 0.244 0.000 1.244 220 I HN 0.874 nan 8.210 nan 0.000 0.421 221 Q N 6.126 126.208 119.800 0.470 0.000 2.421 221 Q HA 0.789 5.129 4.340 -0.000 0.000 0.280 221 Q C -1.656 174.556 176.000 0.353 0.000 1.085 221 Q CA -1.077 54.932 55.803 0.343 0.000 0.807 221 Q CB 2.137 31.018 28.738 0.237 0.000 1.405 221 Q HN 0.705 nan 8.270 nan 0.000 0.419 222 A N 2.192 125.246 122.820 0.390 0.000 2.354 222 A HA 0.562 4.882 4.320 -0.000 0.000 0.269 222 A C -0.687 177.037 177.584 0.235 0.000 1.109 222 A CA -0.423 51.859 52.037 0.410 0.000 0.800 222 A CB 0.488 19.811 19.000 0.539 0.000 1.045 222 A HN 0.505 nan 8.150 nan 0.000 0.489 223 K N 0.891 121.407 120.400 0.194 0.000 2.426 223 K HA 0.688 5.008 4.320 -0.000 0.000 0.254 223 K C 0.418 177.038 176.600 0.034 0.000 0.936 223 K CA 0.415 56.751 56.287 0.083 0.000 0.801 223 K CB 1.408 33.949 32.500 0.069 0.000 1.139 223 K HN 1.602 nan 8.250 nan 0.000 0.424 224 G N 1.357 110.157 108.800 0.000 0.000 2.456 224 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.204 224 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.204 224 G C -0.987 173.894 174.900 -0.032 0.000 1.193 224 G CA -0.538 44.545 45.100 -0.028 0.000 1.220 224 G HN 0.331 nan 8.290 nan 0.000 0.565 225 T N 3.795 118.315 114.554 -0.057 0.000 3.390 225 T HA 0.598 4.948 4.350 -0.000 0.000 0.315 225 T C -2.292 172.360 174.700 -0.080 0.000 1.799 225 T CA -0.361 61.708 62.100 -0.052 0.000 1.553 225 T CB 1.461 70.299 68.868 -0.051 0.000 1.002 225 T HN 0.578 nan 8.240 nan 0.000 0.715 226 P HA 0.726 nan 4.420 nan 0.000 0.276 226 P C -0.764 176.521 177.300 -0.025 0.000 1.261 226 P CA -0.462 62.579 63.100 -0.099 0.000 0.800 226 P CB 1.090 32.832 31.700 0.070 0.000 1.066 227 A N -1.008 121.805 122.820 -0.011 0.000 2.581 227 A HA 0.752 5.072 4.320 -0.000 0.000 0.290 227 A C 0.010 177.674 177.584 0.135 0.000 1.119 227 A CA -0.140 51.925 52.037 0.047 0.000 0.670 227 A CB 0.836 19.834 19.000 -0.002 0.000 1.280 227 A HN 0.926 nan 8.150 nan 0.000 0.425 228 G N -0.780 108.077 108.800 0.094 0.000 2.601 228 G HA2 0.364 4.324 3.960 -0.000 0.000 0.252 228 G HA3 0.364 4.324 3.960 -0.000 0.000 0.252 228 G C 0.239 175.168 174.900 0.048 0.000 1.294 228 G CA 0.648 45.800 45.100 0.086 0.000 0.912 228 G HN 2.722 nan 8.290 nan 0.000 0.574 229 T N -2.351 112.176 114.554 -0.045 0.000 2.916 229 T HA 0.742 5.092 4.350 -0.000 0.000 0.292 229 T C -0.420 174.011 174.700 -0.447 0.000 1.064 229 T CA -0.867 61.093 62.100 -0.234 0.000 1.011 229 T CB 2.181 70.942 68.868 -0.180 0.000 1.152 229 T HN 1.109 nan 8.240 nan 0.000 0.510 230 I N 1.700 121.827 120.570 -0.737 0.000 2.447 230 I HA 0.365 4.535 4.170 -0.000 0.000 0.287 230 I C -0.237 175.566 176.117 -0.524 0.000 1.023 230 I CA -0.490 60.346 61.300 -0.774 0.000 1.083 230 I CB 1.615 38.933 38.000 -1.137 0.000 1.245 230 I HN 0.789 nan 8.210 nan 0.000 0.434 231 T N 7.290 121.646 114.554 -0.330 0.000 2.758 231 T HA 0.595 4.945 4.350 -0.000 0.000 0.285 231 T C 0.124 174.705 174.700 -0.198 0.000 0.981 231 T CA -0.256 61.704 62.100 -0.234 0.000 0.965 231 T CB 0.943 69.706 68.868 -0.174 0.000 0.927 231 T HN 0.238 nan 8.240 nan 0.000 0.448 232 I N 3.754 124.195 120.570 -0.215 0.000 2.304 232 I HA 0.322 4.492 4.170 -0.000 0.000 0.291 232 I C 1.405 177.401 176.117 -0.202 0.000 1.018 232 I CA -0.350 60.830 61.300 -0.201 0.000 1.260 232 I CB 1.181 39.018 38.000 -0.272 0.000 1.390 232 I HN 0.486 nan 8.210 nan 0.000 0.475 233 K N 3.036 123.362 120.400 -0.124 0.000 2.128 233 K HA 0.109 4.429 4.320 -0.000 0.000 0.202 233 K C 0.652 177.210 176.600 -0.070 0.000 1.050 233 K CA 0.686 56.918 56.287 -0.093 0.000 0.966 233 K CB 0.341 32.804 32.500 -0.061 0.000 0.759 233 K HN 0.769 nan 8.250 nan 0.000 0.454 234 S N -0.614 115.059 115.700 -0.045 0.000 2.607 234 S HA 0.545 5.015 4.470 -0.000 0.000 0.273 234 S C -1.020 173.591 174.600 0.018 0.000 1.148 234 S CA -0.891 57.300 58.200 -0.014 0.000 0.833 234 S CB 2.308 65.506 63.200 -0.002 0.000 1.130 234 S HN -0.164 nan 8.310 nan 0.000 0.470 235 V N 1.977 121.914 119.914 0.038 0.000 2.668 235 V HA 0.748 4.868 4.120 -0.000 0.000 0.304 235 V C -0.205 175.916 176.094 0.044 0.000 1.071 235 V CA -0.133 62.208 62.300 0.067 0.000 0.894 235 V CB 1.600 33.487 31.823 0.106 0.000 1.008 235 V HN 1.243 nan 8.190 nan 0.000 0.425 236 T N 2.518 117.107 114.554 0.058 0.000 2.907 236 T HA 0.904 5.254 4.350 -0.000 0.000 0.292 236 T C -0.989 173.754 174.700 0.070 0.000 1.043 236 T CA -0.652 61.480 62.100 0.053 0.000 1.003 236 T CB 1.954 70.847 68.868 0.042 0.000 1.084 236 T HN 0.317 nan 8.240 nan 0.000 0.483 237 I N 2.089 122.699 120.570 0.067 0.000 2.533 237 I HA 0.537 4.707 4.170 -0.000 0.000 0.290 237 I C 0.197 176.342 176.117 0.046 0.000 1.056 237 I CA -0.405 60.934 61.300 0.065 0.000 1.057 237 I CB 2.693 40.742 38.000 0.082 0.000 1.240 237 I HN 0.896 nan 8.210 nan 0.000 0.423 244 Y N 2.242 122.535 120.300 -0.011 0.000 2.411 244 Y HA 0.594 5.144 4.550 -0.000 0.000 0.333 244 Y C 0.547 176.443 175.900 -0.005 0.000 1.186 244 Y CA 0.981 59.066 58.100 -0.025 0.000 1.381 244 Y CB 1.022 39.470 38.460 -0.020 0.000 1.273 244 Y HN 0.782 nan 8.280 nan 0.000 0.546 245 S N 3.982 119.137 115.700 -0.909 0.000 2.532 245 S HA 0.649 5.119 4.470 -0.000 0.000 0.299 245 S C 0.244 174.249 174.600 -0.992 0.000 1.105 245 S CA -0.217 57.586 58.200 -0.662 0.000 1.018 245 S CB 1.185 64.195 63.200 -0.317 0.000 1.021 245 S HN 0.988 nan 8.310 nan 0.000 0.483 246 A N 3.574 126.094 122.820 -0.500 0.000 2.119 246 A HA 0.192 4.512 4.320 -0.000 0.000 0.216 246 A C 0.792 178.289 177.584 -0.146 0.000 1.152 246 A CA 0.553 52.454 52.037 -0.226 0.000 0.708 246 A CB -0.552 18.427 19.000 -0.036 0.000 0.805 246 A HN 1.011 nan 8.150 nan 0.000 0.460 247 N N -1.226 117.384 118.700 -0.150 0.000 2.740 247 N HA -0.124 4.615 4.740 -0.000 0.000 0.248 247 N C -0.726 174.757 175.510 -0.045 0.000 1.062 247 N CA 1.071 54.067 53.050 -0.090 0.000 0.704 247 N CB -1.676 36.757 38.487 -0.090 0.000 0.968 247 N HN 0.241 nan 8.380 nan 0.000 0.547 248 V N 0.617 120.517 119.914 -0.023 0.000 2.334 248 V HA 0.182 4.302 4.120 -0.000 0.000 0.281 248 V C 1.076 177.184 176.094 0.023 0.000 1.016 248 V CA -0.663 61.645 62.300 0.012 0.000 0.832 248 V CB 1.929 33.755 31.823 0.005 0.000 0.999 248 V HN 0.035 nan 8.190 nan 0.000 0.439 249 D N 1.673 122.021 120.400 -0.086 0.000 2.084 249 D HA -0.021 4.619 4.640 -0.000 0.000 0.196 249 D C 0.506 176.358 176.300 -0.745 0.000 0.985 249 D CA 1.621 55.414 54.000 -0.345 0.000 0.826 249 D CB 0.137 40.802 40.800 -0.224 0.000 0.978 249 D HN 0.631 nan 8.370 nan 0.000 0.456 250 H N -0.297 118.749 119.070 -0.040 0.000 3.275 250 H HA 0.097 4.653 4.556 -0.000 0.000 0.326 250 H C 0.708 176.045 175.328 0.015 0.000 1.096 250 H CA -0.504 55.486 56.048 -0.097 0.000 1.579 250 H CB 1.498 31.182 29.762 -0.129 0.000 1.834 250 H HN -0.110 nan 8.280 nan 0.000 0.510 251 L N 4.157 125.524 121.223 0.240 0.000 2.013 251 L HA -0.215 4.125 4.340 -0.000 0.000 0.212 251 L C 2.718 179.538 176.870 -0.084 0.000 1.073 251 L CA 1.953 56.767 54.840 -0.043 0.000 0.753 251 L CB -0.252 41.586 42.059 -0.367 0.000 0.890 251 L HN 0.583 nan 8.230 nan 0.000 0.432 252 R N -1.232 119.211 120.500 -0.095 0.000 2.139 252 R HA -0.178 4.162 4.340 -0.000 0.000 0.243 252 R C 1.262 177.518 176.300 -0.074 0.000 1.145 252 R CA 1.784 57.833 56.100 -0.085 0.000 0.976 252 R CB -1.054 29.215 30.300 -0.052 0.000 0.866 252 R HN 0.342 nan 8.270 nan 0.000 0.449 253 D N 0.646 121.031 120.400 -0.025 0.000 2.355 253 D HA 0.039 4.679 4.640 -0.000 0.000 0.218 253 D C 1.501 177.791 176.300 -0.016 0.000 1.004 253 D CA 0.612 54.597 54.000 -0.025 0.000 0.880 253 D CB 0.212 41.014 40.800 0.003 0.000 0.911 253 D HN 0.330 nan 8.370 nan 0.000 0.528 254 L N 0.197 121.414 121.223 -0.009 0.000 2.567 254 L HA 0.234 4.574 4.340 -0.000 0.000 0.225 254 L C 1.004 177.879 176.870 0.010 0.000 1.119 254 L CA -0.272 54.578 54.840 0.016 0.000 0.871 254 L CB -0.033 42.055 42.059 0.047 0.000 1.036 254 L HN -0.149 nan 8.230 nan 0.000 0.459 255 A N 1.775 124.551 122.820 -0.073 0.000 2.548 255 A HA 0.148 4.468 4.320 -0.000 0.000 0.247 255 A C -1.118 176.444 177.584 -0.036 0.000 1.067 255 A CA -0.775 51.163 52.037 -0.165 0.000 0.757 255 A CB -0.225 18.410 19.000 -0.607 0.000 0.996 255 A HN 0.061 nan 8.150 nan 0.000 0.504 256 P HA -0.013 nan 4.420 nan 0.000 0.237 256 P C 0.265 177.649 177.300 0.140 0.000 1.178 256 P CA 1.186 64.363 63.100 0.127 0.000 0.766 256 P CB 0.043 31.840 31.700 0.162 0.000 0.876 257 S N -1.332 114.485 115.700 0.195 0.000 2.685 257 S HA 0.355 4.825 4.470 -0.000 0.000 0.282 257 S C -0.935 173.723 174.600 0.095 0.000 1.159 257 S CA -0.768 57.541 58.200 0.182 0.000 0.833 257 S CB 1.202 64.560 63.200 0.263 0.000 1.151 257 S HN -0.240 nan 8.310 nan 0.000 0.485 258 D N 1.165 121.623 120.400 0.095 0.000 2.508 258 D HA 0.407 5.047 4.640 -0.000 0.000 0.224 258 D C -0.635 175.739 176.300 0.124 0.000 1.171 258 D CA -0.380 53.635 54.000 0.026 0.000 1.006 258 D CB -1.012 39.805 40.800 0.029 0.000 1.073 258 D HN 0.434 nan 8.370 nan 0.000 0.513 259 F N 0.456 120.445 119.950 0.066 0.000 2.561 259 F HA 0.781 5.308 4.527 -0.000 0.000 0.321 259 F C -2.717 173.104 175.800 0.034 0.000 1.065 259 F CA -3.121 54.916 58.000 0.063 0.000 0.934 259 F CB 0.211 39.288 39.000 0.129 0.000 1.215 259 F HN -0.118 nan 8.300 nan 0.000 0.471 260 P HA 0.151 nan 4.420 nan 0.000 0.268 260 P C -0.689 176.685 177.300 0.124 0.000 1.204 260 P CA 0.040 63.122 63.100 -0.029 0.000 0.768 260 P CB 0.505 31.944 31.700 -0.434 0.000 0.842 261 I N 3.202 123.848 120.570 0.126 0.000 2.390 261 I HA 0.427 4.597 4.170 -0.000 0.000 0.283 261 I C 0.821 177.208 176.117 0.449 0.000 1.016 261 I CA 0.095 61.545 61.300 0.250 0.000 1.151 261 I CB 0.778 38.827 38.000 0.083 0.000 1.293 261 I HN 0.403 nan 8.210 nan 0.000 0.458 262 G N 4.560 113.622 108.800 0.437 0.000 2.714 262 G HA2 0.722 4.682 3.960 -0.000 0.000 0.292 262 G HA3 0.722 4.682 3.960 -0.000 0.000 0.292 262 G C -1.588 173.240 174.900 -0.121 0.000 1.308 262 G CA -0.614 44.662 45.100 0.293 0.000 0.964 262 G HN 0.310 nan 8.290 nan 0.000 0.484 263 V N -0.856 118.820 119.914 -0.397 0.000 3.012 263 V HA 0.758 4.877 4.120 -0.000 0.000 0.307 263 V C -0.268 175.554 176.094 -0.454 0.000 1.166 263 V CA -0.352 61.568 62.300 -0.634 0.000 0.974 263 V CB 1.860 32.871 31.823 -1.353 0.000 1.040 263 V HN 1.482 nan 8.190 nan 0.000 0.428 264 A N 4.555 127.028 122.820 -0.579 0.000 2.354 264 A HA 0.794 5.114 4.320 -0.000 0.000 0.269 264 A C -0.277 176.913 177.584 -0.657 0.000 1.109 264 A CA 0.187 51.703 52.037 -0.867 0.000 0.800 264 A CB 1.010 18.848 19.000 -1.937 0.000 1.045 264 A HN 1.865 nan 8.150 nan 0.000 0.489 265 V N -0.102 119.471 119.914 -0.568 0.000 2.960 265 V HA 0.796 4.916 4.120 -0.000 0.000 0.315 265 V C 0.160 175.991 176.094 -0.439 0.000 1.087 265 V CA -0.689 61.351 62.300 -0.434 0.000 0.982 265 V CB 1.514 33.130 31.823 -0.345 0.000 1.039 265 V HN 0.770 nan 8.190 nan 0.000 0.437 266 S N 2.132 117.652 115.700 -0.299 0.000 2.601 266 S HA 0.554 5.024 4.470 -0.000 0.000 0.271 266 S C -0.167 174.286 174.600 -0.245 0.000 1.305 266 S CA -0.323 57.744 58.200 -0.221 0.000 1.022 266 S CB 0.887 64.050 63.200 -0.062 0.000 0.940 266 S HN 0.971 nan 8.310 nan 0.000 0.525 267 N N -0.314 118.253 118.700 -0.221 0.000 3.539 267 N HA 0.241 4.981 4.740 -0.000 0.000 0.329 267 N C 1.130 176.586 175.510 -0.089 0.000 1.510 267 N CA -0.312 52.619 53.050 -0.199 0.000 0.654 267 N CB -0.148 38.167 38.487 -0.286 0.000 2.690 267 N HN 0.561 nan 8.380 nan 0.000 0.567 268 T N -1.226 113.301 114.554 -0.044 0.000 3.051 268 T HA -0.130 4.220 4.350 -0.000 0.000 0.269 268 T C 0.893 175.620 174.700 0.045 0.000 1.127 268 T CA 1.155 63.264 62.100 0.016 0.000 1.107 268 T CB -0.594 68.308 68.868 0.057 0.000 0.898 268 T HN 0.542 nan 8.240 nan 0.000 0.517 269 D N 1.044 121.461 120.400 0.027 0.000 2.350 269 D HA -0.029 4.610 4.640 -0.000 0.000 0.216 269 D C 0.750 177.092 176.300 0.070 0.000 0.968 269 D CA 0.297 54.343 54.000 0.076 0.000 0.894 269 D CB -0.057 40.748 40.800 0.009 0.000 0.909 269 D HN 0.436 nan 8.370 nan 0.000 0.520 270 S N -0.684 115.043 115.700 0.046 0.000 2.733 270 S HA 0.549 5.018 4.470 -0.000 0.000 0.307 270 S C 0.717 175.341 174.600 0.041 0.000 1.127 270 S CA -0.210 58.037 58.200 0.077 0.000 1.097 270 S CB 1.278 64.563 63.200 0.141 0.000 1.003 270 S HN 0.199 nan 8.310 nan 0.000 0.477 271 A N 4.165 127.001 122.820 0.026 0.000 1.940 271 A HA -0.024 4.296 4.320 -0.000 0.000 0.219 271 A C 2.061 179.607 177.584 -0.063 0.000 1.176 271 A CA 2.379 54.410 52.037 -0.010 0.000 0.631 271 A CB -1.185 17.812 19.000 -0.005 0.000 0.814 271 A HN 0.740 nan 8.150 nan 0.000 0.446 272 T N -1.681 112.807 114.554 -0.109 0.000 2.770 272 T HA -0.060 4.290 4.350 -0.000 0.000 0.263 272 T C 1.334 175.769 174.700 -0.441 0.000 1.039 272 T CA 1.646 63.543 62.100 -0.337 0.000 1.142 272 T CB -0.327 68.232 68.868 -0.515 0.000 0.868 272 T HN 0.585 nan 8.240 nan 0.000 0.435 273 Y N 0.825 121.124 120.300 -0.002 0.000 2.458 273 Y HA 0.372 4.922 4.550 -0.000 0.000 0.256 273 Y C 0.946 176.807 175.900 -0.065 0.000 1.159 273 Y CA -1.248 56.846 58.100 -0.011 0.000 1.261 273 Y CB -0.294 38.164 38.460 -0.003 0.000 1.119 273 Y HN 0.061 nan 8.280 nan 0.000 0.524 274 N N 2.066 120.776 118.700 0.017 0.000 2.223 274 N HA -0.147 4.593 4.740 -0.000 0.000 0.271 274 N C 1.193 176.637 175.510 -0.109 0.000 1.315 274 N CA 0.192 53.208 53.050 -0.058 0.000 0.835 274 N CB 0.571 39.025 38.487 -0.055 0.000 1.066 274 N HN 0.336 nan 8.380 nan 0.000 0.486 275 L N 5.335 126.445 121.223 -0.189 0.000 2.043 275 L HA -0.144 4.196 4.340 -0.000 0.000 0.212 275 L C 1.776 178.432 176.870 -0.356 0.000 1.075 275 L CA 1.784 56.436 54.840 -0.313 0.000 0.752 275 L CB -0.300 41.485 42.059 -0.456 0.000 0.891 275 L HN 0.752 nan 8.230 nan 0.000 0.432 276 L N -1.113 119.944 121.223 -0.277 0.000 2.478 276 L HA -0.035 4.305 4.340 -0.000 0.000 0.223 276 L C 1.734 178.550 176.870 -0.090 0.000 1.140 276 L CA 1.157 55.875 54.840 -0.204 0.000 0.842 276 L CB -0.749 41.252 42.059 -0.096 0.000 0.953 276 L HN 0.552 nan 8.230 nan 0.000 0.452 277 T N -5.861 108.642 114.554 -0.085 0.000 3.003 277 T HA 0.078 4.428 4.350 -0.000 0.000 0.261 277 T C 0.743 175.404 174.700 -0.064 0.000 1.003 277 T CA -0.329 61.740 62.100 -0.053 0.000 0.917 277 T CB 0.040 68.883 68.868 -0.041 0.000 1.084 277 T HN -0.012 nan 8.240 nan 0.000 0.522 278 N N 2.308 120.956 118.700 -0.085 0.000 2.546 278 N HA 0.212 4.952 4.740 -0.000 0.000 0.238 278 N C 1.199 176.651 175.510 -0.097 0.000 0.984 278 N CA 0.217 53.212 53.050 -0.092 0.000 0.935 278 N CB 1.775 40.218 38.487 -0.074 0.000 1.122 278 N HN 0.371 nan 8.380 nan 0.000 0.510 279 S N 3.624 119.270 115.700 -0.089 0.000 2.423 279 S HA -0.067 4.403 4.470 -0.000 0.000 0.231 279 S C 1.609 176.131 174.600 -0.131 0.000 1.014 279 S CA 0.593 58.751 58.200 -0.071 0.000 0.965 279 S CB 0.060 63.233 63.200 -0.046 0.000 0.785 279 S HN 0.556 nan 8.310 nan 0.000 0.495 280 R N 1.050 121.397 120.500 -0.255 0.000 2.092 280 R HA 0.044 4.384 4.340 -0.000 0.000 0.231 280 R C 2.384 178.430 176.300 -0.424 0.000 1.119 280 R CA 1.276 57.085 56.100 -0.485 0.000 0.970 280 R CB -0.237 29.477 30.300 -0.977 0.000 0.864 280 R HN 0.519 nan 8.270 nan 0.000 0.440 281 E N 1.086 121.152 120.200 -0.223 0.000 2.051 281 E HA -0.214 4.136 4.350 -0.000 0.000 0.192 281 E C 2.034 178.624 176.600 -0.017 0.000 0.991 281 E CA 1.279 57.676 56.400 -0.004 0.000 0.799 281 E CB -0.088 29.628 29.700 0.028 0.000 0.748 281 E HN 0.454 nan 8.360 nan 0.000 0.449 282 Q N 0.470 120.252 119.800 -0.031 0.000 2.096 282 Q HA -0.134 4.206 4.340 -0.000 0.000 0.204 282 Q C 2.180 178.280 176.000 0.167 0.000 0.982 282 Q CA 1.680 57.550 55.803 0.112 0.000 0.850 282 Q CB -0.234 28.618 28.738 0.191 0.000 0.901 282 Q HN 0.247 nan 8.270 nan 0.000 0.422 283 A N 0.240 123.089 122.820 0.048 0.000 1.873 283 A HA -0.141 4.179 4.320 -0.000 0.000 0.215 283 A C 2.272 179.871 177.584 0.024 0.000 1.186 283 A CA 1.410 53.463 52.037 0.027 0.000 0.616 283 A CB -0.972 18.008 19.000 -0.034 0.000 0.823 283 A HN 0.280 nan 8.150 nan 0.000 0.442 284 V N -0.291 119.620 119.914 -0.005 0.000 2.407 284 V HA -0.185 3.934 4.120 -0.000 0.000 0.248 284 V C 2.451 178.634 176.094 0.147 0.000 1.055 284 V CA 2.280 64.558 62.300 -0.035 0.000 1.049 284 V CB -0.310 31.371 31.823 -0.236 0.000 0.662 284 V HN 0.324 nan 8.190 nan 0.000 0.455 285 V N -0.055 119.996 119.914 0.228 0.000 2.307 285 V HA -0.253 3.867 4.120 -0.000 0.000 0.245 285 V C 2.495 178.816 176.094 0.377 0.000 1.045 285 V CA 2.466 65.011 62.300 0.408 0.000 1.024 285 V CB -0.711 31.291 31.823 0.298 0.000 0.651 285 V HN 0.535 nan 8.190 nan 0.000 0.449 286 K N -0.024 120.550 120.400 0.290 0.000 2.103 286 K HA -0.246 4.074 4.320 -0.000 0.000 0.207 286 K C 2.248 178.893 176.600 0.074 0.000 1.048 286 K CA 1.624 58.009 56.287 0.165 0.000 0.930 286 K CB -0.196 32.371 32.500 0.112 0.000 0.716 286 K HN 0.358 nan 8.250 nan 0.000 0.444 287 K N -0.114 120.295 120.400 0.016 0.000 2.097 287 K HA -0.146 4.173 4.320 -0.000 0.000 0.205 287 K C 1.540 177.978 176.600 -0.270 0.000 1.050 287 K CA 1.297 57.492 56.287 -0.155 0.000 0.938 287 K CB 0.179 32.460 32.500 -0.365 0.000 0.718 287 K HN 0.253 nan 8.250 nan 0.000 0.442 288 H N -2.214 116.814 119.070 -0.070 0.000 3.017 288 H HA 0.172 4.728 4.556 -0.000 0.000 0.255 288 H C -0.279 174.710 175.328 -0.565 0.000 0.990 288 H CA 0.053 55.863 56.048 -0.397 0.000 1.205 288 H CB 0.564 29.899 29.762 -0.711 0.000 1.460 288 H HN -0.034 nan 8.280 nan 0.000 0.478 289 F N 1.545 121.595 119.950 0.166 0.000 2.541 289 F HA 0.223 4.750 4.527 -0.000 0.000 0.331 289 F C 0.892 176.747 175.800 0.093 0.000 1.057 289 F CA -0.917 57.156 58.000 0.122 0.000 0.975 289 F CB 1.095 40.175 39.000 0.134 0.000 1.246 289 F HN -0.034 nan 8.300 nan 0.000 0.484 290 N N -0.249 118.638 118.700 0.312 0.000 2.307 290 N HA 0.166 4.906 4.740 -0.000 0.000 0.248 290 N C -1.103 174.562 175.510 0.258 0.000 1.322 290 N CA -0.245 52.923 53.050 0.197 0.000 0.861 290 N CB -0.122 38.421 38.487 0.093 0.000 1.303 290 N HN 0.695 nan 8.380 nan 0.000 0.498 291 H N -0.430 118.734 119.070 0.157 0.000 3.112 291 H HA 0.639 5.195 4.556 -0.000 0.000 0.347 291 H C -2.000 173.387 175.328 0.098 0.000 1.188 291 H CA -0.517 55.596 56.048 0.108 0.000 1.240 291 H CB 1.036 30.861 29.762 0.106 0.000 1.920 291 H HN 0.049 nan 8.280 nan 0.000 0.535 292 L N 3.326 124.401 121.223 -0.246 0.000 2.409 292 L HA 0.632 4.972 4.340 -0.000 0.000 0.262 292 L C -0.665 176.134 176.870 -0.117 0.000 0.992 292 L CA -0.781 54.006 54.840 -0.088 0.000 0.817 292 L CB 2.712 44.867 42.059 0.160 0.000 1.350 292 L HN 0.650 nan 8.230 nan 0.000 0.411 293 T N 1.080 115.582 114.554 -0.086 0.000 2.861 293 T HA 0.594 4.944 4.350 -0.000 0.000 0.287 293 T C -0.215 174.345 174.700 -0.232 0.000 1.003 293 T CA -0.506 61.559 62.100 -0.060 0.000 0.977 293 T CB 1.914 70.761 68.868 -0.035 0.000 0.996 293 T HN 0.638 nan 8.240 nan 0.000 0.448 294 A N 1.931 124.591 122.820 -0.267 0.000 2.454 294 A HA 0.572 4.891 4.320 -0.000 0.000 0.260 294 A C 1.549 178.962 177.584 -0.285 0.000 1.106 294 A CA -0.044 51.660 52.037 -0.555 0.000 0.780 294 A CB -0.008 18.655 19.000 -0.562 0.000 1.044 294 A HN 1.031 nan 8.150 nan 0.000 0.498 295 G N 1.599 110.165 108.800 -0.390 0.000 2.422 295 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.218 295 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.218 295 G C 0.942 175.868 174.900 0.044 0.000 1.146 295 G CA 1.501 46.471 45.100 -0.218 0.000 0.769 295 G HN 0.794 nan 8.290 nan 0.000 0.547 296 N N -1.183 117.440 118.700 -0.129 0.000 2.249 296 N HA 0.097 4.837 4.740 -0.000 0.000 0.239 296 N C 1.747 176.962 175.510 -0.491 0.000 1.185 296 N CA 0.107 53.031 53.050 -0.211 0.000 0.825 296 N CB 0.259 38.570 38.487 -0.293 0.000 1.372 296 N HN 0.330 nan 8.380 nan 0.000 0.472 297 I N -1.298 119.002 120.570 -0.449 0.000 3.334 297 I HA 0.120 4.290 4.170 -0.000 0.000 0.282 297 I C 0.889 176.993 176.117 -0.021 0.000 1.313 297 I CA 1.051 62.130 61.300 -0.369 0.000 1.396 297 I CB -0.167 37.735 38.000 -0.163 0.000 1.054 297 I HN 0.052 nan 8.210 nan 0.000 0.495 298 M N 0.574 120.182 119.600 0.012 0.000 2.404 298 M HA 0.288 4.768 4.480 -0.000 0.000 0.271 298 M C 0.330 176.754 176.300 0.206 0.000 1.128 298 M CA -0.003 55.403 55.300 0.178 0.000 0.982 298 M CB 0.293 32.995 32.600 0.170 0.000 1.445 298 M HN 0.098 nan 8.290 nan 0.000 0.495 299 K N 0.260 120.749 120.400 0.149 0.000 2.118 299 K HA 0.291 4.611 4.320 -0.000 0.000 0.240 299 K C 1.024 177.787 176.600 0.271 0.000 1.035 299 K CA -0.186 56.211 56.287 0.184 0.000 0.899 299 K CB 0.945 33.556 32.500 0.185 0.000 1.085 299 K HN 0.120 nan 8.250 nan 0.000 0.498 300 M N 0.417 120.142 119.600 0.209 0.000 2.067 300 M HA -0.185 4.295 4.480 -0.000 0.000 0.260 300 M C 2.186 178.590 176.300 0.174 0.000 1.069 300 M CA 2.019 57.442 55.300 0.205 0.000 1.117 300 M CB -0.379 32.215 32.600 -0.011 0.000 1.334 300 M HN 0.702 nan 8.290 nan 0.000 0.407 301 S N -0.799 114.934 115.700 0.054 0.000 2.489 301 S HA -0.075 4.395 4.470 -0.000 0.000 0.228 301 S C 1.587 176.152 174.600 -0.059 0.000 0.995 301 S CA 0.524 58.701 58.200 -0.038 0.000 0.934 301 S CB -0.725 62.387 63.200 -0.147 0.000 0.771 301 S HN 0.445 nan 8.310 nan 0.000 0.522 302 Y N 1.118 121.438 120.300 0.035 0.000 2.395 302 Y HA 0.229 4.779 4.550 -0.000 0.000 0.293 302 Y C 2.602 178.538 175.900 0.059 0.000 1.123 302 Y CA 0.865 58.997 58.100 0.054 0.000 1.227 302 Y CB -0.171 38.337 38.460 0.080 0.000 1.012 302 Y HN 0.256 nan 8.280 nan 0.000 0.552 303 M N -1.266 118.477 119.600 0.238 0.000 2.447 303 M HA -0.005 4.475 4.480 -0.000 0.000 0.266 303 M C 0.516 176.800 176.300 -0.027 0.000 1.120 303 M CA 1.097 56.491 55.300 0.158 0.000 1.166 303 M CB -0.019 32.744 32.600 0.272 0.000 1.349 303 M HN 0.082 nan 8.290 nan 0.000 0.463 304 Q N 1.120 120.911 119.800 -0.015 0.000 3.064 304 Q HA 0.191 4.531 4.340 -0.000 0.000 0.258 304 Q C -2.078 173.868 176.000 -0.090 0.000 0.972 304 Q CA -1.579 54.055 55.803 -0.283 0.000 0.761 304 Q CB 1.636 30.122 28.738 -0.419 0.000 1.281 304 Q HN -0.015 nan 8.270 nan 0.000 0.455 305 P HA -0.103 nan 4.420 nan 0.000 0.217 305 P C 0.324 177.627 177.300 0.005 0.000 1.150 305 P CA 1.230 64.292 63.100 -0.063 0.000 0.832 305 P CB 0.225 31.867 31.700 -0.096 0.000 0.787 306 T N -4.188 110.336 114.554 -0.050 0.000 2.896 306 T HA 0.351 4.701 4.350 -0.000 0.000 0.297 306 T C -0.644 173.865 174.700 -0.320 0.000 1.108 306 T CA -1.062 61.000 62.100 -0.064 0.000 1.004 306 T CB 1.908 70.721 68.868 -0.091 0.000 1.159 306 T HN -0.118 nan 8.240 nan 0.000 0.499 307 E N 0.160 119.951 120.200 -0.681 0.000 2.406 307 E HA 0.359 4.709 4.350 -0.000 0.000 0.258 307 E C 1.371 177.663 176.600 -0.514 0.000 1.043 307 E CA 1.202 56.925 56.400 -1.129 0.000 0.929 307 E CB -0.610 28.310 29.700 -1.300 0.000 0.969 307 E HN 1.177 nan 8.360 nan 0.000 0.462 308 G N 4.290 112.839 108.800 -0.417 0.000 2.176 308 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.253 308 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.253 308 G C -0.204 174.636 174.900 -0.100 0.000 0.979 308 G CA -0.025 44.993 45.100 -0.136 0.000 0.641 308 G HN 0.607 nan 8.290 nan 0.000 0.530 309 N N 0.631 119.158 118.700 -0.287 0.000 2.706 309 N HA 0.526 5.266 4.740 -0.000 0.000 0.240 309 N C -0.706 174.619 175.510 -0.308 0.000 1.039 309 N CA -0.164 52.779 53.050 -0.177 0.000 0.888 309 N CB 0.502 38.903 38.487 -0.144 0.000 1.128 309 N HN 0.131 nan 8.380 nan 0.000 0.512 310 F N 0.665 120.490 119.950 -0.207 0.000 2.375 310 F HA 0.307 4.834 4.527 -0.000 0.000 0.333 310 F C 1.104 176.604 175.800 -0.500 0.000 1.104 310 F CA -0.405 57.336 58.000 -0.432 0.000 1.149 310 F CB 1.054 39.658 39.000 -0.661 0.000 1.190 310 F HN 0.152 nan 8.300 nan 0.000 0.533 311 N N 2.609 121.066 118.700 -0.405 0.000 2.623 311 N HA 0.232 4.972 4.740 -0.000 0.000 0.256 311 N C -0.623 174.769 175.510 -0.197 0.000 1.045 311 N CA -0.239 52.680 53.050 -0.219 0.000 0.863 311 N CB 0.636 39.080 38.487 -0.072 0.000 1.182 311 N HN 0.443 nan 8.380 nan 0.000 0.523 312 F N 0.132 120.121 119.950 0.066 0.000 2.695 312 F HA 0.154 4.681 4.527 -0.000 0.000 0.303 312 F C 2.227 178.119 175.800 0.153 0.000 1.091 312 F CA -0.016 58.013 58.000 0.049 0.000 1.300 312 F CB 0.207 39.016 39.000 -0.318 0.000 1.071 312 F HN 0.322 nan 8.300 nan 0.000 0.578 313 T N 0.243 114.959 114.554 0.269 0.000 2.622 313 T HA -0.192 4.158 4.350 -0.000 0.000 0.266 313 T C 1.921 176.765 174.700 0.240 0.000 1.047 313 T CA 1.831 64.067 62.100 0.227 0.000 1.159 313 T CB -0.185 68.776 68.868 0.155 0.000 0.863 313 T HN 0.155 nan 8.240 nan 0.000 0.422 314 N N 1.152 119.986 118.700 0.222 0.000 2.216 314 N HA 0.075 4.815 4.740 -0.000 0.000 0.183 314 N C 2.057 177.725 175.510 0.264 0.000 1.017 314 N CA 1.147 54.319 53.050 0.203 0.000 0.861 314 N CB -0.479 38.103 38.487 0.159 0.000 0.986 314 N HN 0.407 nan 8.380 nan 0.000 0.428 315 A N 0.937 123.959 122.820 0.336 0.000 1.968 315 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 315 A C 1.692 179.566 177.584 0.484 0.000 1.169 315 A CA 1.260 53.551 52.037 0.424 0.000 0.638 315 A CB -0.212 19.060 19.000 0.453 0.000 0.812 315 A HN 0.064 nan 8.150 nan 0.000 0.446 316 D N 0.272 120.961 120.400 0.482 0.000 2.117 316 D HA -0.017 4.623 4.640 -0.000 0.000 0.198 316 D C 2.238 178.706 176.300 0.280 0.000 0.982 316 D CA 1.435 55.680 54.000 0.408 0.000 0.828 316 D CB -0.375 40.638 40.800 0.355 0.000 0.967 316 D HN 0.397 nan 8.370 nan 0.000 0.464 317 A N 0.525 123.505 122.820 0.266 0.000 1.883 317 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 317 A C 2.099 179.847 177.584 0.273 0.000 1.186 317 A CA 1.213 53.387 52.037 0.229 0.000 0.624 317 A CB -1.043 18.073 19.000 0.193 0.000 0.822 317 A HN 0.273 nan 8.150 nan 0.000 0.444 318 F N 1.111 121.134 119.950 0.122 0.000 2.043 318 F HA -0.196 4.331 4.527 -0.000 0.000 0.297 318 F C 2.213 178.103 175.800 0.149 0.000 1.121 318 F CA 2.130 60.185 58.000 0.091 0.000 1.199 318 F CB -0.843 38.168 39.000 0.019 0.000 0.968 318 F HN 0.018 nan 8.300 nan 0.000 0.478 319 V N 0.964 120.746 119.914 -0.221 0.000 2.380 319 V HA -0.334 3.786 4.120 -0.000 0.000 0.251 319 V C 2.189 178.224 176.094 -0.097 0.000 1.063 319 V CA 2.291 64.410 62.300 -0.302 0.000 1.055 319 V CB -0.858 30.927 31.823 -0.063 0.000 0.657 319 V HN 0.331 nan 8.190 nan 0.000 0.455 320 D N -1.471 118.955 120.400 0.043 0.000 2.117 320 D HA -0.217 4.423 4.640 -0.000 0.000 0.197 320 D C 1.696 178.041 176.300 0.076 0.000 0.987 320 D CA 1.384 55.420 54.000 0.060 0.000 0.829 320 D CB -0.278 40.582 40.800 0.100 0.000 0.961 320 D HN 0.683 nan 8.370 nan 0.000 0.460 321 W N 1.712 122.982 121.300 -0.050 0.000 2.381 321 W HA -0.075 4.585 4.660 -0.000 0.000 0.301 321 W C 2.378 178.852 176.519 -0.076 0.000 1.205 321 W CA 2.039 59.366 57.345 -0.030 0.000 1.285 321 W CB -0.143 29.335 29.460 0.029 0.000 1.133 321 W HN -0.045 nan 8.180 nan 0.000 0.521 322 A N -0.183 122.749 122.820 0.187 0.000 1.883 322 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 322 A C 1.881 179.391 177.584 -0.122 0.000 1.186 322 A CA 2.573 54.617 52.037 0.013 0.000 0.624 322 A CB -1.426 17.458 19.000 -0.192 0.000 0.822 322 A HN 0.305 nan 8.150 nan 0.000 0.444 323 T N -0.617 113.869 114.554 -0.113 0.000 2.708 323 T HA -0.172 4.178 4.350 -0.000 0.000 0.266 323 T C 1.865 176.477 174.700 -0.146 0.000 1.037 323 T CA 1.592 63.628 62.100 -0.106 0.000 1.146 323 T CB -0.280 68.545 68.868 -0.072 0.000 0.865 323 T HN 0.725 nan 8.240 nan 0.000 0.435 324 E N 0.977 121.063 120.200 -0.191 0.000 2.160 324 E HA -0.155 4.195 4.350 -0.000 0.000 0.195 324 E C 1.333 177.737 176.600 -0.327 0.000 0.991 324 E CA 0.917 57.169 56.400 -0.247 0.000 0.810 324 E CB 0.002 29.528 29.700 -0.291 0.000 0.742 324 E HN 0.370 nan 8.360 nan 0.000 0.466 325 N N 0.660 119.097 118.700 -0.438 0.000 2.251 325 N HA 0.032 4.772 4.740 -0.000 0.000 0.217 325 N C -0.787 174.585 175.510 -0.230 0.000 1.124 325 N CA 0.308 53.097 53.050 -0.434 0.000 0.843 325 N CB 0.277 38.284 38.487 -0.800 0.000 1.024 325 N HN 0.216 nan 8.380 nan 0.000 0.501 326 N N 0.311 118.913 118.700 -0.163 0.000 2.735 326 N HA -0.178 4.562 4.740 -0.000 0.000 0.248 326 N C -0.918 174.564 175.510 -0.047 0.000 1.083 326 N CA 0.660 53.654 53.050 -0.093 0.000 0.703 326 N CB -1.020 37.414 38.487 -0.087 0.000 1.005 326 N HN 0.309 nan 8.380 nan 0.000 0.550 327 M N 0.191 119.769 119.600 -0.037 0.000 2.393 327 M HA 0.344 4.824 4.480 -0.000 0.000 0.316 327 M C 0.564 176.880 176.300 0.027 0.000 1.087 327 M CA -0.721 54.601 55.300 0.036 0.000 0.937 327 M CB 1.848 34.498 32.600 0.084 0.000 1.668 327 M HN 0.167 nan 8.290 nan 0.000 0.438 328 T N -0.211 114.407 114.554 0.108 0.000 2.881 328 T HA 0.686 5.036 4.350 -0.000 0.000 0.278 328 T C -0.193 174.519 174.700 0.019 0.000 0.982 328 T CA -0.788 61.374 62.100 0.104 0.000 0.989 328 T CB 1.378 70.371 68.868 0.209 0.000 1.058 328 T HN 0.441 nan 8.240 nan 0.000 0.529 329 V N 1.649 121.515 119.914 -0.079 0.000 2.540 329 V HA 0.377 4.497 4.120 -0.000 0.000 0.302 329 V C -0.706 175.274 176.094 -0.190 0.000 1.035 329 V CA -0.908 61.251 62.300 -0.234 0.000 0.873 329 V CB 1.208 32.825 31.823 -0.344 0.000 0.992 329 V HN 1.057 nan 8.190 nan 0.000 0.428 330 H N 2.831 121.675 119.070 -0.376 0.000 2.517 330 H HA 0.626 5.182 4.556 -0.000 0.000 0.317 330 H C 0.368 175.510 175.328 -0.310 0.000 1.080 330 H CA 0.028 55.923 56.048 -0.254 0.000 1.301 330 H CB 1.417 31.085 29.762 -0.157 0.000 1.425 330 H HN 0.789 nan 8.280 nan 0.000 0.471 331 G N 3.352 111.557 108.800 -0.990 0.000 2.370 331 G HA2 0.303 4.263 3.960 -0.000 0.000 0.272 331 G HA3 0.303 4.263 3.960 -0.000 0.000 0.272 331 G C -1.178 173.475 174.900 -0.411 0.000 1.208 331 G CA -0.282 44.143 45.100 -1.124 0.000 0.856 331 G HN 0.833 nan 8.290 nan 0.000 0.500 332 H N 0.837 119.834 119.070 -0.123 0.000 3.013 332 H HA 0.649 5.205 4.556 -0.000 0.000 0.326 332 H C -0.564 174.848 175.328 0.140 0.000 0.973 332 H CA 0.015 56.071 56.048 0.014 0.000 1.369 332 H CB 1.108 30.877 29.762 0.011 0.000 1.598 332 H HN 0.756 nan 8.280 nan 0.000 0.518 333 A N 4.670 127.446 122.820 -0.073 0.000 2.594 333 A HA 0.355 4.675 4.320 -0.000 0.000 0.295 333 A C -0.146 177.475 177.584 0.063 0.000 1.071 333 A CA -0.743 51.279 52.037 -0.025 0.000 0.685 333 A CB 0.943 19.738 19.000 -0.341 0.000 1.285 333 A HN 0.703 nan 8.150 nan 0.000 0.405 334 L N 0.330 121.555 121.223 0.003 0.000 2.072 334 L HA 0.071 4.411 4.340 -0.000 0.000 0.205 334 L C -0.012 176.832 176.870 -0.043 0.000 1.079 334 L CA 1.179 55.961 54.840 -0.096 0.000 0.752 334 L CB -0.110 41.762 42.059 -0.312 0.000 0.906 334 L HN 0.461 nan 8.230 nan 0.000 0.436 335 V N -1.415 118.437 119.914 -0.104 0.000 2.577 335 V HA 0.389 4.509 4.120 -0.000 0.000 0.303 335 V C -1.582 174.512 176.094 -0.001 0.000 1.042 335 V CA -0.618 61.537 62.300 -0.241 0.000 0.872 335 V CB 2.223 33.835 31.823 -0.353 0.000 0.998 335 V HN 0.218 nan 8.190 nan 0.000 0.423 336 W N 5.619 126.800 121.300 -0.198 0.000 3.624 336 W HA 0.457 5.117 4.660 -0.000 0.000 0.312 336 W C 0.700 177.341 176.519 0.203 0.000 1.203 336 W CA -0.946 56.413 57.345 0.023 0.000 1.225 336 W CB 1.244 30.668 29.460 -0.059 0.000 1.321 336 W HN 0.817 nan 8.180 nan 0.000 0.506 337 H N 1.725 120.860 119.070 0.108 0.000 2.547 337 H HA 0.106 4.662 4.556 -0.000 0.000 0.272 337 H C 0.576 175.689 175.328 -0.358 0.000 0.989 337 H CA 0.815 56.892 56.048 0.048 0.000 1.214 337 H CB -0.300 29.534 29.762 0.120 0.000 1.389 337 H HN 0.160 nan 8.280 nan 0.000 0.577 338 S N 1.557 116.231 115.700 -1.709 0.000 2.546 338 S HA -0.084 4.386 4.470 -0.000 0.000 0.290 338 S C 0.996 175.171 174.600 -0.708 0.000 1.262 338 S CA 0.102 57.448 58.200 -1.422 0.000 1.083 338 S CB 0.077 62.005 63.200 -2.119 0.000 0.859 338 S HN 0.536 nan 8.310 nan 0.000 0.495 339 D N 3.815 123.998 120.400 -0.362 0.000 2.133 339 D HA -0.234 4.406 4.640 -0.000 0.000 0.195 339 D C 1.588 177.791 176.300 -0.162 0.000 0.997 339 D CA 2.142 56.017 54.000 -0.209 0.000 0.840 339 D CB -0.199 40.538 40.800 -0.105 0.000 0.947 339 D HN 0.934 nan 8.370 nan 0.000 0.452 340 Y N 0.434 120.615 120.300 -0.199 0.000 2.403 340 Y HA -0.096 4.454 4.550 -0.000 0.000 0.291 340 Y C 1.337 177.195 175.900 -0.071 0.000 1.143 340 Y CA 1.237 59.272 58.100 -0.108 0.000 1.257 340 Y CB -0.810 37.618 38.460 -0.053 0.000 0.984 340 Y HN 0.086 nan 8.280 nan 0.000 0.550 341 Q N -0.089 119.220 119.800 -0.819 0.000 2.159 341 Q HA 0.334 4.674 4.340 -0.000 0.000 0.217 341 Q C -0.699 175.125 176.000 -0.293 0.000 0.818 341 Q CA -0.240 55.217 55.803 -0.576 0.000 1.008 341 Q CB -0.128 28.222 28.738 -0.647 0.000 1.148 341 Q HN 0.201 nan 8.270 nan 0.000 0.491 342 V N 3.356 123.104 119.914 -0.277 0.000 2.508 342 V HA 0.302 4.422 4.120 -0.000 0.000 0.281 342 V C -2.109 173.859 176.094 -0.210 0.000 1.041 342 V CA -1.786 60.392 62.300 -0.202 0.000 1.016 342 V CB 0.827 32.499 31.823 -0.252 0.000 0.984 342 V HN 0.202 nan 8.190 nan 0.000 0.478 343 P HA -0.001 nan 4.420 nan 0.000 0.264 343 P C 0.969 178.134 177.300 -0.225 0.000 1.183 343 P CA 0.232 63.200 63.100 -0.219 0.000 0.763 343 P CB 0.375 31.862 31.700 -0.355 0.000 0.807 344 N N 2.761 121.418 118.700 -0.071 0.000 2.137 344 N HA -0.195 4.545 4.740 -0.000 0.000 0.190 344 N C 1.511 177.032 175.510 0.018 0.000 1.017 344 N CA 1.542 54.574 53.050 -0.030 0.000 0.859 344 N CB -0.260 38.235 38.487 0.014 0.000 1.002 344 N HN 0.482 nan 8.380 nan 0.000 0.428 345 F N -0.185 119.780 119.950 0.024 0.000 2.293 345 F HA 0.077 4.604 4.527 -0.000 0.000 0.300 345 F C 2.284 178.241 175.800 0.263 0.000 1.086 345 F CA 0.525 58.588 58.000 0.104 0.000 1.375 345 F CB -0.448 38.612 39.000 0.101 0.000 1.045 345 F HN -0.076 nan 8.300 nan 0.000 0.516 346 M N 0.571 119.852 119.600 -0.532 0.000 2.134 346 M HA -0.064 4.416 4.480 -0.000 0.000 0.262 346 M C 2.298 178.537 176.300 -0.101 0.000 1.076 346 M CA 1.364 56.509 55.300 -0.258 0.000 1.143 346 M CB -0.397 31.898 32.600 -0.509 0.000 1.346 346 M HN 0.037 nan 8.290 nan 0.000 0.421 347 K N 0.381 120.660 120.400 -0.200 0.000 2.113 347 K HA -0.142 4.178 4.320 -0.000 0.000 0.208 347 K C 0.828 177.372 176.600 -0.093 0.000 1.047 347 K CA 1.088 57.266 56.287 -0.182 0.000 0.928 347 K CB -0.188 32.223 32.500 -0.149 0.000 0.716 347 K HN 0.327 nan 8.250 nan 0.000 0.446 348 N N -0.350 118.341 118.700 -0.015 0.000 2.279 348 N HA -0.046 4.694 4.740 -0.000 0.000 0.226 348 N C -0.622 174.928 175.510 0.067 0.000 1.126 348 N CA -0.093 52.962 53.050 0.010 0.000 0.846 348 N CB 0.141 38.630 38.487 0.003 0.000 1.050 348 N HN 0.261 nan 8.380 nan 0.000 0.502 349 W N 1.215 122.469 121.300 -0.077 0.000 2.343 349 W HA 0.058 4.718 4.660 -0.000 0.000 0.337 349 W C 0.215 176.708 176.519 -0.043 0.000 1.320 349 W CA 0.319 57.656 57.345 -0.013 0.000 1.290 349 W CB 0.528 29.985 29.460 -0.006 0.000 1.206 349 W HN 0.059 nan 8.180 nan 0.000 0.565 350 A N 5.023 127.531 122.820 -0.520 0.000 2.585 350 A HA 0.371 4.691 4.320 -0.000 0.000 0.266 350 A C 0.462 177.803 177.584 -0.405 0.000 1.178 350 A CA 0.376 52.211 52.037 -0.337 0.000 0.966 350 A CB -0.222 18.633 19.000 -0.241 0.000 1.170 350 A HN 0.623 nan 8.150 nan 0.000 0.558 351 G N 0.199 108.519 108.800 -0.800 0.000 2.543 351 G HA2 0.452 4.412 3.960 -0.000 0.000 0.267 351 G HA3 0.452 4.412 3.960 -0.000 0.000 0.267 351 G C 0.468 175.530 174.900 0.270 0.000 1.406 351 G CA 0.401 45.336 45.100 -0.275 0.000 1.048 351 G HN 0.718 nan 8.290 nan 0.000 0.548 352 S N -1.260 114.667 115.700 0.380 0.000 2.632 352 S HA 0.494 4.964 4.470 -0.000 0.000 0.267 352 S C 1.594 176.430 174.600 0.394 0.000 1.276 352 S CA 0.323 58.706 58.200 0.306 0.000 0.998 352 S CB 1.393 64.713 63.200 0.200 0.000 0.953 352 S HN 1.212 nan 8.310 nan 0.000 0.547 353 A N 0.745 123.687 122.820 0.204 0.000 1.877 353 A HA -0.097 4.223 4.320 -0.000 0.000 0.216 353 A C 2.099 179.774 177.584 0.150 0.000 1.186 353 A CA 1.959 54.076 52.037 0.133 0.000 0.620 353 A CB -1.302 17.732 19.000 0.056 0.000 0.822 353 A HN 0.947 nan 8.150 nan 0.000 0.443 354 E N 0.587 120.867 120.200 0.134 0.000 2.106 354 E HA -0.164 4.186 4.350 -0.000 0.000 0.192 354 E C 1.237 177.906 176.600 0.115 0.000 0.984 354 E CA 1.651 58.113 56.400 0.104 0.000 0.806 354 E CB -0.327 29.424 29.700 0.085 0.000 0.750 354 E HN 0.540 nan 8.360 nan 0.000 0.458 355 D N -0.669 119.859 120.400 0.212 0.000 2.183 355 D HA -0.108 4.532 4.640 -0.000 0.000 0.203 355 D C 1.585 177.924 176.300 0.065 0.000 0.969 355 D CA 0.564 54.728 54.000 0.273 0.000 0.842 355 D CB -0.414 40.687 40.800 0.501 0.000 0.957 355 D HN 0.243 nan 8.370 nan 0.000 0.484 356 F N 1.413 121.151 119.950 -0.354 0.000 2.102 356 F HA -0.141 4.386 4.527 -0.000 0.000 0.298 356 F C 2.041 177.537 175.800 -0.507 0.000 1.105 356 F CA 1.207 58.547 58.000 -1.100 0.000 1.239 356 F CB -0.334 38.000 39.000 -1.110 0.000 0.991 356 F HN -0.126 nan 8.300 nan 0.000 0.474 357 L N -0.087 121.020 121.223 -0.193 0.000 2.083 357 L HA -0.209 4.131 4.340 -0.000 0.000 0.209 357 L C 2.777 179.535 176.870 -0.188 0.000 1.083 357 L CA 1.139 55.876 54.840 -0.172 0.000 0.752 357 L CB -1.141 40.926 42.059 0.013 0.000 0.899 357 L HN 0.275 nan 8.230 nan 0.000 0.433 358 A N -0.059 122.690 122.820 -0.119 0.000 1.933 358 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 358 A C 2.531 180.065 177.584 -0.084 0.000 1.175 358 A CA 1.674 53.675 52.037 -0.060 0.000 0.628 358 A CB -0.643 18.367 19.000 0.016 0.000 0.814 358 A HN 0.403 nan 8.150 nan 0.000 0.444 359 A N -0.569 122.137 122.820 -0.189 0.000 1.902 359 A HA -0.017 4.303 4.320 -0.000 0.000 0.217 359 A C 2.104 179.593 177.584 -0.159 0.000 1.181 359 A CA 1.687 53.643 52.037 -0.135 0.000 0.623 359 A CB -0.583 18.275 19.000 -0.237 0.000 0.818 359 A HN 0.616 nan 8.150 nan 0.000 0.443 360 L N 0.278 121.258 121.223 -0.405 0.000 2.046 360 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 360 L C 1.648 178.463 176.870 -0.092 0.000 1.077 360 L CA 2.438 57.098 54.840 -0.301 0.000 0.747 360 L CB -0.736 41.063 42.059 -0.432 0.000 0.896 360 L HN 0.354 nan 8.230 nan 0.000 0.432 361 D N -1.129 119.217 120.400 -0.091 0.000 2.123 361 D HA -0.181 4.459 4.640 -0.000 0.000 0.196 361 D C 2.037 178.341 176.300 0.006 0.000 0.992 361 D CA 1.912 55.888 54.000 -0.041 0.000 0.833 361 D CB -0.301 40.477 40.800 -0.036 0.000 0.954 361 D HN 0.368 nan 8.370 nan 0.000 0.455 362 T N -0.427 114.157 114.554 0.049 0.000 2.788 362 T HA -0.176 4.174 4.350 -0.000 0.000 0.268 362 T C 1.721 176.532 174.700 0.186 0.000 1.044 362 T CA 1.417 63.579 62.100 0.103 0.000 1.139 362 T CB -0.308 68.650 68.868 0.149 0.000 0.867 362 T HN 0.323 nan 8.240 nan 0.000 0.454 363 H N 0.843 120.014 119.070 0.168 0.000 2.319 363 H HA 0.025 4.581 4.556 -0.000 0.000 0.299 363 H C 2.008 177.405 175.328 0.115 0.000 1.092 363 H CA 1.615 57.831 56.048 0.280 0.000 1.302 363 H CB -0.381 29.465 29.762 0.139 0.000 1.373 363 H HN 0.322 nan 8.280 nan 0.000 0.497 364 I N -0.471 120.116 120.570 0.029 0.000 2.233 364 I HA -0.226 3.944 4.170 -0.000 0.000 0.243 364 I C 2.282 178.294 176.117 -0.175 0.000 1.093 364 I CA 1.517 62.732 61.300 -0.142 0.000 1.380 364 I CB -0.355 37.568 38.000 -0.129 0.000 1.067 364 I HN 0.327 nan 8.210 nan 0.000 0.413 365 T N 0.068 114.556 114.554 -0.109 0.000 2.746 365 T HA -0.165 4.185 4.350 -0.000 0.000 0.267 365 T C 1.907 176.523 174.700 -0.141 0.000 1.039 365 T CA 2.047 64.083 62.100 -0.107 0.000 1.142 365 T CB -0.357 68.469 68.868 -0.070 0.000 0.866 365 T HN 0.359 nan 8.240 nan 0.000 0.444 366 T N 2.002 116.434 114.554 -0.204 0.000 2.708 366 T HA 0.027 4.377 4.350 -0.000 0.000 0.266 366 T C 1.984 176.558 174.700 -0.210 0.000 1.037 366 T CA 0.972 62.869 62.100 -0.338 0.000 1.146 366 T CB -0.368 67.971 68.868 -0.881 0.000 0.865 366 T HN 0.317 nan 8.240 nan 0.000 0.435 367 I N 0.575 121.059 120.570 -0.143 0.000 2.233 367 I HA -0.115 4.055 4.170 -0.000 0.000 0.243 367 I C 2.473 178.645 176.117 0.092 0.000 1.093 367 I CA 0.786 62.139 61.300 0.087 0.000 1.380 367 I CB -0.357 37.666 38.000 0.039 0.000 1.067 367 I HN 0.068 nan 8.210 nan 0.000 0.413 368 V N 0.803 120.668 119.914 -0.082 0.000 2.295 368 V HA -0.327 3.793 4.120 -0.000 0.000 0.246 368 V C 2.182 178.324 176.094 0.079 0.000 1.049 368 V CA 2.370 64.680 62.300 0.016 0.000 1.024 368 V CB -0.651 31.085 31.823 -0.146 0.000 0.648 368 V HN 0.471 nan 8.190 nan 0.000 0.447 369 D N -0.657 119.727 120.400 -0.026 0.000 2.104 369 D HA -0.268 4.372 4.640 -0.000 0.000 0.194 369 D C 2.051 178.281 176.300 -0.116 0.000 0.994 369 D CA 1.951 55.917 54.000 -0.057 0.000 0.830 369 D CB -0.156 40.596 40.800 -0.080 0.000 0.959 369 D HN 0.672 nan 8.370 nan 0.000 0.452 370 H N -1.646 117.231 119.070 -0.323 0.000 2.319 370 H HA -0.167 4.388 4.556 -0.000 0.000 0.299 370 H C 1.567 176.538 175.328 -0.596 0.000 1.092 370 H CA 1.954 57.629 56.048 -0.622 0.000 1.302 370 H CB -0.319 28.668 29.762 -1.290 0.000 1.373 370 H HN 0.235 nan 8.280 nan 0.000 0.497 371 Y N 0.527 120.809 120.300 -0.031 0.000 2.373 371 Y HA -0.100 4.450 4.550 -0.000 0.000 0.293 371 Y C 2.677 178.567 175.900 -0.017 0.000 1.129 371 Y CA 1.164 59.273 58.100 0.015 0.000 1.226 371 Y CB -0.155 38.465 38.460 0.267 0.000 1.000 371 Y HN 0.362 nan 8.280 nan 0.000 0.549 372 E N 0.794 121.056 120.200 0.103 0.000 2.058 372 E HA -0.232 4.118 4.350 -0.000 0.000 0.194 372 E C 2.272 178.845 176.600 -0.044 0.000 0.997 372 E CA 1.425 57.856 56.400 0.052 0.000 0.801 372 E CB -0.177 29.548 29.700 0.041 0.000 0.746 372 E HN 0.393 nan 8.360 nan 0.000 0.450 373 A N 1.116 123.847 122.820 -0.147 0.000 1.968 373 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 373 A C 2.109 179.568 177.584 -0.207 0.000 1.169 373 A CA 1.069 52.996 52.037 -0.183 0.000 0.638 373 A CB -0.238 18.619 19.000 -0.237 0.000 0.812 373 A HN 0.044 nan 8.150 nan 0.000 0.446 374 K N -0.650 119.576 120.400 -0.289 0.000 2.147 374 K HA 0.050 4.370 4.320 -0.000 0.000 0.205 374 K C 1.143 177.701 176.600 -0.070 0.000 1.049 374 K CA 0.898 57.062 56.287 -0.204 0.000 0.936 374 K CB -0.987 31.414 32.500 -0.165 0.000 0.722 374 K HN 0.842 nan 8.250 nan 0.000 0.446 375 G N 0.953 109.734 108.800 -0.032 0.000 2.712 375 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.686 375 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.686 375 G C 0.001 174.902 174.900 0.002 0.000 1.321 375 G CA 0.061 45.155 45.100 -0.010 0.000 0.813 375 G HN 0.214 nan 8.290 nan 0.000 0.599 376 N N -2.750 115.948 118.700 -0.002 0.000 2.948 376 N HA -0.169 4.571 4.740 -0.000 0.000 0.239 376 N C 0.184 175.671 175.510 -0.039 0.000 0.954 376 N CA 1.626 54.665 53.050 -0.019 0.000 0.941 376 N CB -0.750 37.710 38.487 -0.046 0.000 1.101 376 N HN 1.570 nan 8.380 nan 0.000 0.579 377 L N 1.575 122.780 121.223 -0.029 0.000 2.277 377 L HA 0.492 4.832 4.340 -0.000 0.000 0.284 377 L C 1.240 178.082 176.870 -0.047 0.000 1.028 377 L CA -0.304 54.470 54.840 -0.110 0.000 0.835 377 L CB 0.773 42.756 42.059 -0.126 0.000 1.215 377 L HN 0.111 nan 8.230 nan 0.000 0.425 378 V N 1.891 121.803 119.914 -0.003 0.000 3.471 378 V HA 0.375 4.495 4.120 -0.000 0.000 0.258 378 V C 0.601 176.790 176.094 0.159 0.000 1.192 378 V CA 0.773 63.132 62.300 0.099 0.000 1.116 378 V CB -0.078 31.835 31.823 0.150 0.000 0.792 378 V HN 0.799 nan 8.190 nan 0.000 0.459 379 S N -2.422 113.351 115.700 0.123 0.000 2.547 379 S HA 0.688 5.158 4.470 -0.000 0.000 0.270 379 S C -1.761 172.854 174.600 0.026 0.000 1.150 379 S CA -0.717 57.676 58.200 0.322 0.000 0.850 379 S CB 1.016 64.612 63.200 0.659 0.000 1.118 379 S HN 0.382 nan 8.310 nan 0.000 0.461 380 W N 0.664 122.117 121.300 0.254 0.000 2.819 380 W HA 0.463 5.123 4.660 -0.000 0.000 0.337 380 W C -1.041 175.568 176.519 0.150 0.000 1.077 380 W CA -0.363 56.988 57.345 0.010 0.000 1.226 380 W CB 1.486 30.959 29.460 0.022 0.000 1.419 380 W HN 0.571 nan 8.180 nan 0.000 0.502 381 D N 2.533 123.073 120.400 0.234 0.000 2.359 381 D HA 0.054 4.694 4.640 -0.000 0.000 0.250 381 D C 1.040 177.459 176.300 0.199 0.000 1.264 381 D CA 0.284 54.457 54.000 0.287 0.000 0.911 381 D CB 1.300 42.224 40.800 0.206 0.000 1.056 381 D HN 0.087 nan 8.370 nan 0.000 0.499 382 V N 2.405 122.375 119.914 0.094 0.000 2.283 382 V HA -0.092 4.028 4.120 -0.000 0.000 0.243 382 V C 1.030 176.991 176.094 -0.222 0.000 1.039 382 V CA 0.955 63.114 62.300 -0.234 0.000 1.016 382 V CB 0.153 31.503 31.823 -0.788 0.000 0.650 382 V HN 0.291 nan 8.190 nan 0.000 0.449 383 V N 0.818 120.677 119.914 -0.092 0.000 2.588 383 V HA 0.470 4.590 4.120 -0.000 0.000 0.304 383 V C -0.865 175.248 176.094 0.032 0.000 1.042 383 V CA -0.731 61.622 62.300 0.089 0.000 0.877 383 V CB 1.746 33.776 31.823 0.346 0.000 0.996 383 V HN 0.437 nan 8.190 nan 0.000 0.425 384 N N 2.599 121.314 118.700 0.026 0.000 2.392 384 N HA 0.386 5.126 4.740 -0.000 0.000 0.283 384 N C -0.110 175.504 175.510 0.173 0.000 1.003 384 N CA -0.341 52.634 53.050 -0.124 0.000 0.892 384 N CB 0.998 39.254 38.487 -0.385 0.000 1.193 384 N HN 0.753 nan 8.380 nan 0.000 0.487 385 E N 1.193 121.432 120.200 0.064 0.000 2.340 385 E HA -0.246 4.104 4.350 -0.000 0.000 0.240 385 E C -0.062 176.808 176.600 0.451 0.000 1.154 385 E CA 0.550 57.150 56.400 0.332 0.000 0.717 385 E CB -1.441 28.663 29.700 0.673 0.000 1.250 385 E HN 0.620 nan 8.360 nan 0.000 0.386 386 A N -0.064 123.074 122.820 0.530 0.000 2.167 386 A HA 0.133 4.453 4.320 -0.000 0.000 0.214 386 A C 0.941 178.784 177.584 0.433 0.000 1.151 386 A CA 0.374 52.715 52.037 0.507 0.000 0.735 386 A CB 0.194 19.515 19.000 0.535 0.000 0.802 386 A HN 0.326 nan 8.150 nan 0.000 0.467 387 I N 1.338 122.120 120.570 0.354 0.000 2.428 387 I HA 0.231 4.401 4.170 -0.000 0.000 0.296 387 I C -0.149 175.993 176.117 0.043 0.000 0.985 387 I CA -1.002 60.402 61.300 0.173 0.000 1.260 387 I CB 1.452 39.495 38.000 0.071 0.000 1.389 387 I HN 0.302 nan 8.210 nan 0.000 0.484 388 D N 3.423 123.819 120.400 -0.007 0.000 2.414 388 D HA 0.033 4.673 4.640 -0.000 0.000 0.251 388 D C -0.143 176.138 176.300 -0.031 0.000 1.252 388 D CA -0.286 53.702 54.000 -0.020 0.000 0.999 388 D CB 0.630 41.410 40.800 -0.033 0.000 1.093 388 D HN 0.354 nan 8.370 nan 0.000 0.515 389 D N -0.708 119.696 120.400 0.006 0.000 2.427 389 D HA 0.123 4.763 4.640 -0.000 0.000 0.224 389 D C -0.311 175.992 176.300 0.006 0.000 1.157 389 D CA -0.271 53.741 54.000 0.020 0.000 0.828 389 D CB -0.149 40.709 40.800 0.096 0.000 0.974 389 D HN 0.236 nan 8.370 nan 0.000 0.498 390 N N -0.011 118.678 118.700 -0.017 0.000 2.476 390 N HA 0.313 5.053 4.740 -0.000 0.000 0.276 390 N C -0.390 175.102 175.510 -0.029 0.000 1.204 390 N CA -0.158 52.880 53.050 -0.021 0.000 0.974 390 N CB 1.393 39.862 38.487 -0.029 0.000 1.204 390 N HN -0.257 nan 8.380 nan 0.000 0.543 391 S N 1.189 116.874 115.700 -0.025 0.000 2.756 391 S HA 0.408 4.877 4.470 -0.000 0.000 0.303 391 S C -2.178 172.404 174.600 -0.029 0.000 1.135 391 S CA -0.959 57.225 58.200 -0.026 0.000 1.066 391 S CB 1.329 64.522 63.200 -0.011 0.000 1.008 391 S HN 0.424 nan 8.310 nan 0.000 0.482 392 P HA 0.450 nan 4.420 nan 0.000 0.271 392 P C -0.678 176.577 177.300 -0.075 0.000 1.233 392 P CA -0.517 62.548 63.100 -0.057 0.000 0.789 392 P CB 0.390 32.052 31.700 -0.063 0.000 0.951 393 A N 2.068 124.827 122.820 -0.101 0.000 2.310 393 A HA 0.475 4.795 4.320 -0.000 0.000 0.299 393 A C 0.092 177.558 177.584 -0.197 0.000 1.147 393 A CA -0.495 51.464 52.037 -0.130 0.000 0.818 393 A CB 0.119 19.037 19.000 -0.135 0.000 1.096 393 A HN 0.630 nan 8.150 nan 0.000 0.495 394 N N -0.084 118.498 118.700 -0.198 0.000 2.455 394 N HA 0.494 5.234 4.740 -0.000 0.000 0.278 394 N C -1.222 174.146 175.510 -0.237 0.000 1.291 394 N CA -0.391 52.498 53.050 -0.269 0.000 0.780 394 N CB 0.973 39.369 38.487 -0.152 0.000 1.520 394 N HN 0.423 nan 8.380 nan 0.000 0.486 395 F N 1.275 121.189 119.950 -0.060 0.000 2.553 395 F HA 0.127 4.654 4.527 -0.000 0.000 0.356 395 F C 1.735 177.478 175.800 -0.096 0.000 1.142 395 F CA 0.113 58.092 58.000 -0.035 0.000 1.322 395 F CB 0.215 39.227 39.000 0.021 0.000 1.126 395 F HN 0.086 nan 8.300 nan 0.000 0.599 396 R N 1.006 121.597 120.500 0.151 0.000 2.623 396 R HA 0.150 4.490 4.340 -0.000 0.000 0.271 396 R C 0.869 177.031 176.300 -0.231 0.000 1.043 396 R CA 0.669 56.747 56.100 -0.036 0.000 1.083 396 R CB 0.393 30.659 30.300 -0.057 0.000 0.974 396 R HN 0.885 nan 8.270 nan 0.000 0.436 397 T N -2.772 111.563 114.554 -0.365 0.000 3.422 397 T HA -0.052 4.298 4.350 -0.000 0.000 0.192 397 T C 1.794 176.386 174.700 -0.180 0.000 0.857 397 T CA 0.452 62.124 62.100 -0.714 0.000 1.400 397 T CB -0.609 67.859 68.868 -0.667 0.000 1.864 397 T HN 0.613 nan 8.240 nan 0.000 0.415 398 T N 1.379 115.881 114.554 -0.087 0.000 3.007 398 T HA -0.061 4.289 4.350 -0.000 0.000 0.270 398 T C 1.338 176.036 174.700 -0.003 0.000 1.107 398 T CA 1.380 63.481 62.100 0.002 0.000 1.118 398 T CB -0.783 68.086 68.868 0.000 0.000 0.889 398 T HN 0.656 nan 8.240 nan 0.000 0.506 399 D N 0.693 121.083 120.400 -0.016 0.000 2.328 399 D HA 0.141 4.781 4.640 -0.000 0.000 0.221 399 D C 0.365 176.691 176.300 0.043 0.000 1.072 399 D CA -0.212 53.797 54.000 0.015 0.000 0.850 399 D CB -0.058 40.758 40.800 0.027 0.000 0.922 399 D HN 0.378 nan 8.370 nan 0.000 0.516 400 S N -0.448 115.266 115.700 0.023 0.000 2.530 400 S HA 0.575 5.045 4.470 -0.000 0.000 0.322 400 S C 0.986 175.537 174.600 -0.082 0.000 1.085 400 S CA -0.216 58.016 58.200 0.053 0.000 1.096 400 S CB 1.261 64.542 63.200 0.135 0.000 0.988 400 S HN 0.170 nan 8.310 nan 0.000 0.466 401 A N 4.865 127.509 122.820 -0.294 0.000 1.978 401 A HA 0.047 4.367 4.320 -0.000 0.000 0.220 401 A C 1.370 178.526 177.584 -0.713 0.000 1.170 401 A CA 1.473 53.186 52.037 -0.541 0.000 0.636 401 A CB -0.781 17.787 19.000 -0.719 0.000 0.810 401 A HN 0.827 nan 8.150 nan 0.000 0.448 402 F N -1.762 118.035 119.950 -0.254 0.000 2.102 402 F HA -0.136 4.391 4.527 -0.000 0.000 0.298 402 F C 2.208 177.750 175.800 -0.431 0.000 1.105 402 F CA 1.382 59.091 58.000 -0.485 0.000 1.239 402 F CB -1.194 37.172 39.000 -1.058 0.000 0.991 402 F HN 0.395 nan 8.300 nan 0.000 0.474 403 Y N 0.659 120.849 120.300 -0.184 0.000 2.114 403 Y HA -0.233 4.317 4.550 -0.000 0.000 0.284 403 Y C 2.386 178.256 175.900 -0.051 0.000 1.143 403 Y CA 1.727 59.869 58.100 0.070 0.000 1.135 403 Y CB -0.603 37.944 38.460 0.145 0.000 0.980 403 Y HN -0.134 nan 8.280 nan 0.000 0.499 404 V N 0.647 120.541 119.914 -0.033 0.000 2.307 404 V HA -0.260 3.860 4.120 -0.000 0.000 0.245 404 V C 2.158 178.061 176.094 -0.318 0.000 1.045 404 V CA 2.152 64.372 62.300 -0.133 0.000 1.024 404 V CB -0.512 31.258 31.823 -0.088 0.000 0.651 404 V HN 0.283 nan 8.190 nan 0.000 0.449 405 K N 0.040 120.093 120.400 -0.578 0.000 2.432 405 K HA 0.106 4.426 4.320 -0.000 0.000 0.196 405 K C 1.936 178.055 176.600 -0.803 0.000 1.038 405 K CA 0.547 56.285 56.287 -0.916 0.000 0.986 405 K CB -0.103 31.336 32.500 -1.768 0.000 0.782 405 K HN 0.392 nan 8.250 nan 0.000 0.485 406 S N 0.121 115.560 115.700 -0.436 0.000 2.650 406 S HA 0.123 4.593 4.470 -0.000 0.000 0.219 406 S C 0.848 175.385 174.600 -0.106 0.000 0.960 406 S CA 0.555 58.720 58.200 -0.058 0.000 0.925 406 S CB 0.160 63.442 63.200 0.136 0.000 0.775 406 S HN 0.530 nan 8.310 nan 0.000 0.525 407 G N 2.740 111.428 108.800 -0.187 0.000 2.255 407 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.239 407 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.239 407 G C -0.200 174.550 174.900 -0.250 0.000 1.083 407 G CA -0.380 44.629 45.100 -0.153 0.000 0.826 407 G HN 0.328 nan 8.290 nan 0.000 0.493 408 N N -1.519 116.912 118.700 -0.449 0.000 2.671 408 N HA -0.141 4.599 4.740 -0.000 0.000 0.261 408 N C -0.050 174.841 175.510 -1.032 0.000 1.053 408 N CA 1.860 54.358 53.050 -0.919 0.000 0.732 408 N CB -1.227 37.084 38.487 -0.293 0.000 0.887 408 N HN 1.378 nan 8.380 nan 0.000 0.546 409 S N -1.437 113.678 115.700 -0.975 0.000 2.536 409 S HA 0.581 5.051 4.470 -0.000 0.000 0.271 409 S C 0.396 175.032 174.600 0.061 0.000 1.134 409 S CA -0.479 57.547 58.200 -0.288 0.000 0.897 409 S CB 1.267 64.410 63.200 -0.094 0.000 1.094 409 S HN 0.112 nan 8.310 nan 0.000 0.473 410 S N 2.811 118.625 115.700 0.189 0.000 2.614 410 S HA 0.053 4.522 4.470 -0.000 0.000 0.230 410 S C 1.542 175.982 174.600 -0.267 0.000 0.952 410 S CA 0.023 58.221 58.200 -0.004 0.000 0.949 410 S CB 0.419 63.527 63.200 -0.153 0.000 0.786 410 S HN 0.640 nan 8.310 nan 0.000 0.478 411 V N 2.455 122.335 119.914 -0.057 0.000 2.688 411 V HA -0.224 3.896 4.120 -0.000 0.000 0.256 411 V C 1.956 177.996 176.094 -0.089 0.000 1.084 411 V CA 1.816 64.078 62.300 -0.064 0.000 1.103 411 V CB -0.676 31.151 31.823 0.006 0.000 0.688 411 V HN 0.811 nan 8.190 nan 0.000 0.480 412 Y N -0.580 119.740 120.300 0.034 0.000 2.315 412 Y HA -0.156 4.394 4.550 -0.000 0.000 0.288 412 Y C 1.949 177.858 175.900 0.016 0.000 1.154 412 Y CA 1.716 59.837 58.100 0.036 0.000 1.229 412 Y CB -0.937 37.596 38.460 0.120 0.000 0.980 412 Y HN 0.301 nan 8.280 nan 0.000 0.540 413 I N 1.743 121.874 120.570 -0.732 0.000 2.133 413 I HA -0.265 3.905 4.170 -0.000 0.000 0.238 413 I C 2.749 178.889 176.117 0.037 0.000 1.074 413 I CA 2.025 63.134 61.300 -0.318 0.000 1.342 413 I CB -0.616 37.156 38.000 -0.380 0.000 1.053 413 I HN 0.411 nan 8.210 nan 0.000 0.404 414 E N 1.721 121.844 120.200 -0.128 0.000 2.110 414 E HA -0.298 4.052 4.350 -0.000 0.000 0.193 414 E C 2.284 178.793 176.600 -0.151 0.000 0.988 414 E CA 1.157 57.331 56.400 -0.377 0.000 0.804 414 E CB -0.436 28.936 29.700 -0.547 0.000 0.745 414 E HN 0.410 nan 8.360 nan 0.000 0.458 415 R N 0.970 121.417 120.500 -0.089 0.000 2.096 415 R HA -0.096 4.244 4.340 -0.000 0.000 0.235 415 R C 2.400 178.677 176.300 -0.038 0.000 1.127 415 R CA 1.454 57.524 56.100 -0.050 0.000 0.968 415 R CB -0.353 29.935 30.300 -0.020 0.000 0.861 415 R HN 0.286 nan 8.270 nan 0.000 0.440 416 A N 0.079 122.877 122.820 -0.035 0.000 1.902 416 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 416 A C 1.933 179.415 177.584 -0.170 0.000 1.181 416 A CA 1.253 53.220 52.037 -0.117 0.000 0.623 416 A CB -0.715 18.187 19.000 -0.162 0.000 0.818 416 A HN 0.378 nan 8.150 nan 0.000 0.443 417 F N 0.128 120.030 119.950 -0.081 0.000 2.102 417 F HA -0.216 4.311 4.527 -0.000 0.000 0.298 417 F C 2.802 178.549 175.800 -0.089 0.000 1.105 417 F CA 2.006 59.962 58.000 -0.074 0.000 1.239 417 F CB -0.517 38.414 39.000 -0.114 0.000 0.991 417 F HN 0.277 nan 8.300 nan 0.000 0.474 418 Q N -0.642 119.190 119.800 0.053 0.000 2.084 418 Q HA -0.172 4.168 4.340 -0.000 0.000 0.202 418 Q C 2.160 178.152 176.000 -0.013 0.000 0.978 418 Q CA 2.104 57.906 55.803 -0.001 0.000 0.844 418 Q CB -0.580 28.134 28.738 -0.040 0.000 0.898 418 Q HN 0.343 nan 8.270 nan 0.000 0.426 419 T N 0.736 115.268 114.554 -0.036 0.000 2.777 419 T HA -0.120 4.230 4.350 -0.000 0.000 0.266 419 T C 1.899 176.561 174.700 -0.063 0.000 1.040 419 T CA 1.159 63.228 62.100 -0.051 0.000 1.141 419 T CB -0.264 68.565 68.868 -0.066 0.000 0.868 419 T HN 0.396 nan 8.240 nan 0.000 0.444 420 A N 1.807 124.574 122.820 -0.089 0.000 1.902 420 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 420 A C 2.239 179.813 177.584 -0.016 0.000 1.181 420 A CA 1.983 53.959 52.037 -0.101 0.000 0.623 420 A CB -0.530 18.370 19.000 -0.167 0.000 0.818 420 A HN 0.350 nan 8.150 nan 0.000 0.443 421 R N 0.294 120.807 120.500 0.022 0.000 2.073 421 R HA -0.050 4.290 4.340 -0.000 0.000 0.234 421 R C 2.119 178.434 176.300 0.025 0.000 1.134 421 R CA 2.060 58.188 56.100 0.047 0.000 0.952 421 R CB -0.892 29.442 30.300 0.057 0.000 0.850 421 R HN 0.373 nan 8.270 nan 0.000 0.433 422 A N 0.165 122.988 122.820 0.006 0.000 1.940 422 A HA -0.053 4.267 4.320 -0.000 0.000 0.219 422 A C 2.369 179.951 177.584 -0.003 0.000 1.176 422 A CA 1.837 53.873 52.037 -0.001 0.000 0.631 422 A CB -1.003 17.990 19.000 -0.011 0.000 0.814 422 A HN 0.528 nan 8.150 nan 0.000 0.446 423 A N -1.463 121.350 122.820 -0.012 0.000 1.929 423 A HA 0.093 4.413 4.320 -0.000 0.000 0.216 423 A C 0.897 178.487 177.584 0.010 0.000 1.176 423 A CA 1.551 53.578 52.037 -0.016 0.000 0.628 423 A CB -0.008 18.965 19.000 -0.045 0.000 0.816 423 A HN 0.411 nan 8.150 nan 0.000 0.444 424 D N -2.415 118.007 120.400 0.037 0.000 2.323 424 D HA 0.336 4.976 4.640 -0.000 0.000 0.242 424 D C -2.584 173.760 176.300 0.075 0.000 1.347 424 D CA -1.602 52.438 54.000 0.065 0.000 0.988 424 D CB 1.332 42.201 40.800 0.114 0.000 1.314 424 D HN -0.105 nan 8.370 nan 0.000 0.564 425 P HA 0.030 nan 4.420 nan 0.000 0.225 425 P C 0.820 178.161 177.300 0.067 0.000 1.148 425 P CA 0.681 63.814 63.100 0.055 0.000 0.779 425 P CB 0.423 32.145 31.700 0.037 0.000 0.780 426 A N -1.107 121.758 122.820 0.075 0.000 2.195 426 A HA 0.102 4.422 4.320 -0.000 0.000 0.210 426 A C 0.991 178.641 177.584 0.110 0.000 1.165 426 A CA 0.142 52.227 52.037 0.080 0.000 0.806 426 A CB -0.549 18.491 19.000 0.066 0.000 0.847 426 A HN 0.132 nan 8.150 nan 0.000 0.482 427 V N 1.932 121.934 119.914 0.146 0.000 2.649 427 V HA 0.238 4.358 4.120 -0.000 0.000 0.292 427 V C -0.393 175.826 176.094 0.209 0.000 1.055 427 V CA -0.690 61.732 62.300 0.203 0.000 1.023 427 V CB 0.875 32.880 31.823 0.304 0.000 0.992 427 V HN 0.312 nan 8.190 nan 0.000 0.480 428 I N 7.206 127.913 120.570 0.229 0.000 2.352 428 I HA 0.265 4.435 4.170 -0.000 0.000 0.290 428 I C 0.109 176.376 176.117 0.250 0.000 1.036 428 I CA 0.058 61.472 61.300 0.190 0.000 1.336 428 I CB 0.789 38.917 38.000 0.214 0.000 1.407 428 I HN 0.427 nan 8.210 nan 0.000 0.497 429 L N 7.735 129.052 121.223 0.158 0.000 2.257 429 L HA 0.368 4.708 4.340 -0.000 0.000 0.290 429 L C -0.762 176.249 176.870 0.234 0.000 1.044 429 L CA -0.584 54.432 54.840 0.293 0.000 0.810 429 L CB 0.347 42.638 42.059 0.387 0.000 1.193 429 L HN 0.379 nan 8.230 nan 0.000 0.425 430 Y N 1.784 122.370 120.300 0.477 0.000 2.420 430 Y HA 0.328 4.878 4.550 -0.000 0.000 0.334 430 Y C -0.272 175.974 175.900 0.577 0.000 1.094 430 Y CA -0.463 57.913 58.100 0.460 0.000 1.126 430 Y CB 1.799 40.478 38.460 0.365 0.000 1.217 430 Y HN 0.362 nan 8.280 nan 0.000 0.462 431 Y N 3.308 123.972 120.300 0.607 0.000 2.326 431 Y HA 0.398 4.948 4.550 -0.000 0.000 0.337 431 Y C -0.840 175.233 175.900 0.288 0.000 1.023 431 Y CA -0.916 57.481 58.100 0.495 0.000 1.143 431 Y CB 0.672 39.328 38.460 0.326 0.000 1.183 431 Y HN 0.692 nan 8.280 nan 0.000 0.485 432 N N 4.207 122.555 118.700 -0.587 0.000 2.284 432 N HA 0.409 5.149 4.740 -0.000 0.000 0.300 432 N C -2.094 173.072 175.510 -0.573 0.000 1.047 432 N CA -0.356 52.461 53.050 -0.388 0.000 0.821 432 N CB 1.302 39.700 38.487 -0.147 0.000 1.337 432 N HN 0.741 nan 8.380 nan 0.000 0.482 433 D N 0.381 120.584 120.400 -0.328 0.000 2.623 433 D HA 0.216 4.856 4.640 -0.000 0.000 0.241 433 D C -1.332 174.938 176.300 -0.051 0.000 1.241 433 D CA -0.324 53.558 54.000 -0.196 0.000 0.788 433 D CB 0.895 41.607 40.800 -0.145 0.000 1.413 433 D HN 0.424 nan 8.370 nan 0.000 0.429 434 Y N 0.406 120.727 120.300 0.034 0.000 2.453 434 Y HA 0.516 5.066 4.550 -0.000 0.000 0.326 434 Y C 1.032 177.002 175.900 0.118 0.000 1.186 434 Y CA -0.765 57.401 58.100 0.110 0.000 1.200 434 Y CB 0.554 39.142 38.460 0.213 0.000 1.247 434 Y HN 0.330 nan 8.280 nan 0.000 0.482 435 N N -0.315 118.533 118.700 0.248 0.000 2.929 435 N HA -0.276 4.464 4.740 -0.000 0.000 0.234 435 N C 0.669 176.228 175.510 0.082 0.000 0.908 435 N CA 1.793 54.938 53.050 0.159 0.000 0.993 435 N CB -1.596 36.987 38.487 0.160 0.000 1.075 435 N HN 0.939 nan 8.380 nan 0.000 0.603 436 I N -0.958 119.641 120.570 0.048 0.000 3.176 436 I HA -0.034 4.136 4.170 -0.000 0.000 0.275 436 I C 1.975 178.255 176.117 0.272 0.000 1.298 436 I CA 1.296 62.628 61.300 0.053 0.000 1.445 436 I CB -0.144 37.776 38.000 -0.134 0.000 1.075 436 I HN 0.116 nan 8.210 nan 0.000 0.482 437 E N 1.854 122.255 120.200 0.336 0.000 2.435 437 E HA -0.175 4.175 4.350 -0.000 0.000 0.195 437 E C 1.556 178.202 176.600 0.077 0.000 1.029 437 E CA 0.586 57.149 56.400 0.272 0.000 0.865 437 E CB -0.287 29.534 29.700 0.202 0.000 0.833 437 E HN 0.701 nan 8.360 nan 0.000 0.510 438 Q N 0.517 120.351 119.800 0.057 0.000 2.369 438 Q HA -0.048 4.292 4.340 -0.000 0.000 0.206 438 Q C 0.220 176.212 176.000 -0.014 0.000 0.963 438 Q CA 0.669 56.456 55.803 -0.028 0.000 0.894 438 Q CB -0.114 28.640 28.738 0.026 0.000 0.965 438 Q HN 0.222 nan 8.270 nan 0.000 0.475 439 N N -0.316 118.401 118.700 0.029 0.000 2.818 439 N HA -0.144 4.596 4.740 -0.000 0.000 0.250 439 N C -1.007 174.513 175.510 0.016 0.000 1.108 439 N CA 0.638 53.701 53.050 0.022 0.000 0.745 439 N CB -0.833 37.653 38.487 -0.002 0.000 1.104 439 N HN 0.274 nan 8.380 nan 0.000 0.557 440 N N -0.750 117.964 118.700 0.022 0.000 3.245 440 N HA 0.545 5.285 4.740 -0.000 0.000 0.333 440 N C 1.317 176.826 175.510 -0.001 0.000 1.403 440 N CA 0.290 53.351 53.050 0.018 0.000 0.648 440 N CB -0.728 37.783 38.487 0.039 0.000 1.572 440 N HN 0.074 nan 8.380 nan 0.000 0.516 441 A N 0.868 123.683 122.820 -0.007 0.000 1.902 441 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 441 A C 2.057 179.607 177.584 -0.056 0.000 1.181 441 A CA 1.615 53.632 52.037 -0.034 0.000 0.623 441 A CB -0.499 18.480 19.000 -0.036 0.000 0.818 441 A HN 0.537 nan 8.150 nan 0.000 0.443 442 K N -0.937 119.436 120.400 -0.044 0.000 2.057 442 K HA -0.121 4.199 4.320 -0.000 0.000 0.207 442 K C 2.098 178.660 176.600 -0.063 0.000 1.049 442 K CA 1.779 58.026 56.287 -0.067 0.000 0.931 442 K CB -0.304 32.158 32.500 -0.063 0.000 0.714 442 K HN 0.473 nan 8.250 nan 0.000 0.440 443 T N 0.304 114.843 114.554 -0.024 0.000 2.665 443 T HA -0.155 4.195 4.350 -0.000 0.000 0.268 443 T C 1.768 176.443 174.700 -0.041 0.000 1.035 443 T CA 2.002 64.099 62.100 -0.004 0.000 1.151 443 T CB -0.463 68.429 68.868 0.040 0.000 0.862 443 T HN 0.343 nan 8.240 nan 0.000 0.438 444 T N 1.430 115.953 114.554 -0.052 0.000 2.684 444 T HA -0.116 4.234 4.350 -0.000 0.000 0.267 444 T C 2.058 176.683 174.700 -0.124 0.000 1.036 444 T CA 1.543 63.598 62.100 -0.074 0.000 1.148 444 T CB -0.230 68.599 68.868 -0.066 0.000 0.863 444 T HN 0.253 nan 8.240 nan 0.000 0.436 445 K N 1.307 121.612 120.400 -0.160 0.000 2.097 445 K HA 0.056 4.376 4.320 -0.000 0.000 0.205 445 K C 2.242 178.676 176.600 -0.277 0.000 1.050 445 K CA 1.039 57.173 56.287 -0.255 0.000 0.938 445 K CB -0.550 31.762 32.500 -0.313 0.000 0.718 445 K HN 0.183 nan 8.250 nan 0.000 0.442 446 M N 0.370 119.843 119.600 -0.213 0.000 2.080 446 M HA -0.131 4.348 4.480 -0.000 0.000 0.260 446 M C 1.688 177.855 176.300 -0.222 0.000 1.068 446 M CA 1.726 56.888 55.300 -0.231 0.000 1.109 446 M CB -0.393 32.126 32.600 -0.134 0.000 1.342 446 M HN 0.066 nan 8.290 nan 0.000 0.405 447 V N 1.208 121.034 119.914 -0.146 0.000 2.358 447 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 447 V C 1.987 177.992 176.094 -0.148 0.000 1.047 447 V CA 2.076 64.307 62.300 -0.115 0.000 1.035 447 V CB -1.001 30.785 31.823 -0.061 0.000 0.658 447 V HN 0.384 nan 8.190 nan 0.000 0.452 448 D N -0.546 119.756 120.400 -0.164 0.000 2.144 448 D HA -0.202 4.438 4.640 -0.000 0.000 0.199 448 D C 2.033 178.204 176.300 -0.214 0.000 0.984 448 D CA 1.469 55.371 54.000 -0.163 0.000 0.834 448 D CB -0.255 40.448 40.800 -0.162 0.000 0.955 448 D HN 0.395 nan 8.370 nan 0.000 0.465 449 M N 0.409 119.824 119.600 -0.308 0.000 2.086 449 M HA -0.167 4.312 4.480 -0.000 0.000 0.261 449 M C 1.952 177.858 176.300 -0.657 0.000 1.067 449 M CA 1.256 56.264 55.300 -0.486 0.000 1.116 449 M CB 0.014 32.290 32.600 -0.540 0.000 1.348 449 M HN -0.146 nan 8.290 nan 0.000 0.407 450 V N 1.183 120.816 119.914 -0.468 0.000 2.287 450 V HA -0.318 3.802 4.120 -0.000 0.000 0.248 450 V C 2.241 178.242 176.094 -0.155 0.000 1.053 450 V CA 2.123 64.236 62.300 -0.312 0.000 1.027 450 V CB -0.870 30.846 31.823 -0.179 0.000 0.646 450 V HN 0.513 nan 8.190 nan 0.000 0.447 451 K N -0.151 120.173 120.400 -0.127 0.000 2.057 451 K HA -0.238 4.082 4.320 -0.000 0.000 0.207 451 K C 1.976 178.561 176.600 -0.025 0.000 1.049 451 K CA 1.843 58.094 56.287 -0.061 0.000 0.931 451 K CB -0.331 32.135 32.500 -0.058 0.000 0.714 451 K HN 0.529 nan 8.250 nan 0.000 0.440 452 D N 0.289 120.662 120.400 -0.044 0.000 2.117 452 D HA -0.167 4.473 4.640 -0.000 0.000 0.197 452 D C 1.651 178.065 176.300 0.189 0.000 0.987 452 D CA 1.132 55.159 54.000 0.046 0.000 0.829 452 D CB 0.031 40.850 40.800 0.032 0.000 0.961 452 D HN -0.011 nan 8.370 nan 0.000 0.460 453 F N 1.089 120.985 119.950 -0.090 0.000 2.134 453 F HA -0.068 4.459 4.527 -0.000 0.000 0.299 453 F C 2.563 178.308 175.800 -0.092 0.000 1.097 453 F CA 0.961 58.890 58.000 -0.118 0.000 1.264 453 F CB -1.145 37.730 39.000 -0.208 0.000 1.001 453 F HN 0.163 nan 8.300 nan 0.000 0.479 454 Q N -0.463 119.407 119.800 0.118 0.000 2.084 454 Q HA -0.137 4.203 4.340 -0.000 0.000 0.202 454 Q C 2.449 178.468 176.000 0.031 0.000 0.978 454 Q CA 1.492 57.322 55.803 0.045 0.000 0.844 454 Q CB -0.408 28.341 28.738 0.019 0.000 0.898 454 Q HN 0.371 nan 8.270 nan 0.000 0.426 455 A N 1.052 123.895 122.820 0.037 0.000 1.969 455 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 455 A C 1.705 179.302 177.584 0.022 0.000 1.169 455 A CA 0.997 53.049 52.037 0.024 0.000 0.635 455 A CB -0.101 18.913 19.000 0.023 0.000 0.810 455 A HN 0.170 nan 8.150 nan 0.000 0.445 456 R N -0.716 119.803 120.500 0.032 0.000 2.427 456 R HA 0.243 4.583 4.340 -0.000 0.000 0.262 456 R C 0.037 176.325 176.300 -0.021 0.000 0.943 456 R CA 0.518 56.623 56.100 0.009 0.000 1.081 456 R CB 0.121 30.432 30.300 0.019 0.000 1.166 456 R HN 0.349 nan 8.270 nan 0.000 0.534 457 S N 0.890 116.580 115.700 -0.017 0.000 3.635 457 S HA -0.118 4.352 4.470 -0.000 0.000 0.328 457 S C 0.233 174.789 174.600 -0.073 0.000 1.135 457 S CA 0.517 58.697 58.200 -0.032 0.000 0.942 457 S CB -0.972 62.214 63.200 -0.024 0.000 0.930 457 S HN 0.285 nan 8.310 nan 0.000 0.512 458 I N 2.695 123.189 120.570 -0.127 0.000 2.416 458 I HA 0.242 4.412 4.170 -0.000 0.000 0.288 458 I C -1.583 174.416 176.117 -0.196 0.000 1.051 458 I CA -2.469 58.670 61.300 -0.269 0.000 1.375 458 I CB -0.271 37.315 38.000 -0.689 0.000 1.407 458 I HN -0.034 nan 8.210 nan 0.000 0.516 459 P HA 0.345 nan 4.420 nan 0.000 0.271 459 P C -0.536 176.735 177.300 -0.048 0.000 1.220 459 P CA -0.061 63.023 63.100 -0.027 0.000 0.768 459 P CB 1.570 33.297 31.700 0.045 0.000 0.848 460 I N 1.939 122.482 120.570 -0.046 0.000 2.710 460 I HA 0.213 4.383 4.170 -0.000 0.000 0.290 460 I C -0.416 175.688 176.117 -0.021 0.000 1.318 460 I CA -0.487 60.768 61.300 -0.074 0.000 1.045 460 I CB 2.289 40.115 38.000 -0.290 0.000 1.307 460 I HN 0.078 nan 8.210 nan 0.000 0.424 461 D N 5.169 125.559 120.400 -0.017 0.000 2.388 461 D HA 0.313 4.953 4.640 -0.000 0.000 0.208 461 D C 0.510 176.708 176.300 -0.170 0.000 1.035 461 D CA 0.484 54.434 54.000 -0.084 0.000 0.875 461 D CB 1.478 42.220 40.800 -0.097 0.000 0.984 461 D HN 0.655 nan 8.370 nan 0.000 0.508 462 G N -0.209 108.444 108.800 -0.245 0.000 2.646 462 G HA2 0.464 4.424 3.960 -0.000 0.000 0.291 462 G HA3 0.464 4.424 3.960 -0.000 0.000 0.291 462 G C -1.731 173.254 174.900 0.142 0.000 1.445 462 G CA -0.435 44.537 45.100 -0.214 0.000 0.814 462 G HN -0.083 nan 8.290 nan 0.000 0.495 463 V N 0.047 120.196 119.914 0.391 0.000 2.495 463 V HA 0.757 4.877 4.120 -0.000 0.000 0.298 463 V C 0.721 177.078 176.094 0.440 0.000 1.031 463 V CA -0.225 62.304 62.300 0.382 0.000 0.871 463 V CB 1.775 33.690 31.823 0.153 0.000 0.988 463 V HN 1.154 nan 8.190 nan 0.000 0.432 464 G N 3.442 112.396 108.800 0.257 0.000 2.329 464 G HA2 0.573 4.533 3.960 -0.000 0.000 0.309 464 G HA3 0.573 4.533 3.960 -0.000 0.000 0.309 464 G C -0.976 173.879 174.900 -0.074 0.000 1.110 464 G CA -0.197 44.933 45.100 0.050 0.000 0.923 464 G HN 0.430 nan 8.290 nan 0.000 0.430 465 F N 1.580 121.528 119.950 -0.005 0.000 2.371 465 F HA 0.254 4.781 4.527 -0.000 0.000 0.363 465 F C 1.754 177.492 175.800 -0.103 0.000 1.122 465 F CA -0.473 57.516 58.000 -0.017 0.000 1.129 465 F CB 1.877 40.883 39.000 0.011 0.000 1.173 465 F HN 0.552 nan 8.300 nan 0.000 0.489 466 Q N 2.254 122.040 119.800 -0.023 0.000 2.096 466 Q HA -0.218 4.122 4.340 -0.000 0.000 0.204 466 Q C 1.025 176.854 176.000 -0.285 0.000 0.982 466 Q CA 1.346 57.014 55.803 -0.226 0.000 0.850 466 Q CB -0.111 28.522 28.738 -0.175 0.000 0.901 466 Q HN 0.685 nan 8.270 nan 0.000 0.422 467 M N 0.266 119.829 119.600 -0.062 0.000 2.503 467 M HA -0.154 4.326 4.480 -0.000 0.000 0.208 467 M C -1.516 174.729 176.300 -0.090 0.000 0.434 467 M CA 0.531 55.808 55.300 -0.039 0.000 0.551 467 M CB -1.187 31.383 32.600 -0.050 0.000 2.025 467 M HN 0.219 nan 8.290 nan 0.000 0.827 468 H N 0.294 119.454 119.070 0.150 0.000 3.118 468 H HA 0.557 5.113 4.556 -0.000 0.000 0.266 468 H C 0.407 175.831 175.328 0.161 0.000 1.465 468 H CA 0.517 56.682 56.048 0.194 0.000 1.460 468 H CB -0.419 29.517 29.762 0.290 0.000 1.661 468 H HN 0.460 nan 8.280 nan 0.000 0.516 469 V N 0.185 120.203 119.914 0.174 0.000 2.966 469 V HA 0.450 4.570 4.120 -0.000 0.000 0.317 469 V C 0.696 176.860 176.094 0.117 0.000 1.070 469 V CA -0.963 61.408 62.300 0.118 0.000 1.008 469 V CB 1.462 33.294 31.823 0.014 0.000 1.070 469 V HN 0.498 nan 8.190 nan 0.000 0.457 470 c N 2.817 121.498 118.600 0.134 0.000 2.365 470 c HA 0.410 4.980 4.570 -0.000 0.000 0.374 470 c C 1.791 175.925 174.090 0.073 0.000 1.318 470 c CA 0.005 56.404 56.329 0.116 0.000 2.239 470 c CB 0.848 43.453 42.510 0.158 0.000 2.144 470 c HN 1.092 nan 8.230 nan 0.000 0.581 471 M N 1.358 120.999 119.600 0.069 0.000 2.159 471 M HA -0.083 4.397 4.480 -0.000 0.000 0.263 471 M C 0.966 177.295 176.300 0.048 0.000 1.063 471 M CA 2.030 57.358 55.300 0.047 0.000 1.110 471 M CB -0.680 31.954 32.600 0.056 0.000 1.374 471 M HN 0.765 nan 8.290 nan 0.000 0.411 472 N N -2.734 116.017 118.700 0.085 0.000 2.160 472 N HA 0.148 4.888 4.740 -0.000 0.000 0.226 472 N C -1.276 174.329 175.510 0.157 0.000 1.256 472 N CA -0.204 52.901 53.050 0.091 0.000 0.890 472 N CB 1.213 39.752 38.487 0.086 0.000 1.116 472 N HN 0.270 nan 8.380 nan 0.000 0.517 473 Y N 1.106 121.416 120.300 0.017 0.000 2.482 473 Y HA 0.422 4.972 4.550 -0.000 0.000 0.334 473 Y C -2.922 172.997 175.900 0.032 0.000 1.091 473 Y CA -2.026 56.089 58.100 0.025 0.000 1.027 473 Y CB 1.867 40.347 38.460 0.033 0.000 1.306 473 Y HN -0.121 nan 8.280 nan 0.000 0.446 474 P HA 0.199 nan 4.420 nan 0.000 0.277 474 P C -0.693 176.410 177.300 -0.329 0.000 1.271 474 P CA -0.317 62.233 63.100 -0.916 0.000 0.795 474 P CB 0.950 32.192 31.700 -0.762 0.000 1.101 475 S N -0.281 115.276 115.700 -0.239 0.000 2.593 475 S HA 0.124 4.594 4.470 -0.000 0.000 0.269 475 S C 1.562 176.099 174.600 -0.106 0.000 1.334 475 S CA -0.554 57.580 58.200 -0.110 0.000 1.015 475 S CB -0.194 62.967 63.200 -0.064 0.000 0.912 475 S HN 0.235 nan 8.310 nan 0.000 0.541 476 I N 1.588 122.113 120.570 -0.075 0.000 2.286 476 I HA -0.136 4.034 4.170 -0.000 0.000 0.248 476 I C 2.821 178.894 176.117 -0.073 0.000 1.115 476 I CA 1.611 62.867 61.300 -0.074 0.000 1.392 476 I CB -2.259 35.707 38.000 -0.056 0.000 1.065 476 I HN 0.896 nan 8.210 nan 0.000 0.418 477 A N 1.101 123.885 122.820 -0.060 0.000 1.908 477 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 477 A C 2.130 179.677 177.584 -0.062 0.000 1.181 477 A CA 1.926 53.931 52.037 -0.054 0.000 0.627 477 A CB -0.642 18.335 19.000 -0.038 0.000 0.818 477 A HN 0.424 nan 8.150 nan 0.000 0.445 478 N N -0.148 118.508 118.700 -0.073 0.000 2.171 478 N HA -0.038 4.702 4.740 -0.000 0.000 0.184 478 N C 1.702 177.164 175.510 -0.080 0.000 1.021 478 N CA 1.360 54.366 53.050 -0.073 0.000 0.854 478 N CB -0.382 38.051 38.487 -0.089 0.000 0.994 478 N HN 0.558 nan 8.380 nan 0.000 0.426 479 I N 0.822 121.329 120.570 -0.104 0.000 2.208 479 I HA -0.242 3.928 4.170 -0.000 0.000 0.245 479 I C 2.079 178.102 176.117 -0.157 0.000 1.097 479 I CA 0.902 62.128 61.300 -0.124 0.000 1.363 479 I CB -0.168 37.755 38.000 -0.128 0.000 1.051 479 I HN 0.024 nan 8.210 nan 0.000 0.413 480 S N 0.637 116.261 115.700 -0.127 0.000 2.368 480 S HA -0.145 4.325 4.470 -0.000 0.000 0.225 480 S C 2.244 176.775 174.600 -0.115 0.000 1.030 480 S CA 1.292 59.414 58.200 -0.130 0.000 0.999 480 S CB -0.369 62.772 63.200 -0.099 0.000 0.844 480 S HN 0.546 nan 8.310 nan 0.000 0.459 481 A N 1.518 124.290 122.820 -0.081 0.000 1.930 481 A HA 0.151 4.471 4.320 -0.000 0.000 0.217 481 A C 2.333 179.895 177.584 -0.038 0.000 1.175 481 A CA 1.629 53.634 52.037 -0.054 0.000 0.627 481 A CB -0.995 17.983 19.000 -0.036 0.000 0.815 481 A HN 0.505 nan 8.150 nan 0.000 0.443 482 A N -0.495 122.305 122.820 -0.033 0.000 1.898 482 A HA -0.085 4.235 4.320 -0.000 0.000 0.216 482 A C 2.258 179.858 177.584 0.028 0.000 1.181 482 A CA 1.730 53.797 52.037 0.051 0.000 0.620 482 A CB -0.525 18.555 19.000 0.133 0.000 0.819 482 A HN 0.518 nan 8.150 nan 0.000 0.442 483 M N -0.954 118.498 119.600 -0.247 0.000 2.117 483 M HA -0.145 4.335 4.480 -0.000 0.000 0.262 483 M C 2.270 178.504 176.300 -0.111 0.000 1.065 483 M CA 1.916 57.000 55.300 -0.361 0.000 1.114 483 M CB -0.313 31.981 32.600 -0.510 0.000 1.361 483 M HN 0.425 nan 8.290 nan 0.000 0.408 484 K N 0.847 121.188 120.400 -0.099 0.000 2.097 484 K HA -0.166 4.154 4.320 -0.000 0.000 0.206 484 K C 1.773 178.363 176.600 -0.017 0.000 1.049 484 K CA 1.371 57.620 56.287 -0.064 0.000 0.933 484 K CB 0.087 32.548 32.500 -0.065 0.000 0.717 484 K HN 0.227 nan 8.250 nan 0.000 0.442 485 K N -0.072 120.335 120.400 0.012 0.000 2.152 485 K HA -0.129 4.191 4.320 -0.000 0.000 0.206 485 K C 1.879 178.508 176.600 0.050 0.000 1.048 485 K CA 1.365 57.670 56.287 0.030 0.000 0.933 485 K CB 0.059 32.584 32.500 0.043 0.000 0.721 485 K HN 0.008 nan 8.250 nan 0.000 0.447 486 V N 0.415 120.389 119.914 0.099 0.000 2.446 486 V HA -0.164 3.956 4.120 -0.000 0.000 0.244 486 V C 2.167 178.300 176.094 0.064 0.000 1.039 486 V CA 1.049 63.420 62.300 0.118 0.000 1.045 486 V CB -0.052 31.931 31.823 0.266 0.000 0.681 486 V HN 0.046 nan 8.190 nan 0.000 0.459 487 V N 0.573 120.505 119.914 0.030 0.000 2.278 487 V HA -0.326 3.794 4.120 -0.000 0.000 0.251 487 V C 2.167 178.257 176.094 -0.007 0.000 1.062 487 V CA 2.418 64.713 62.300 -0.009 0.000 1.038 487 V CB -0.697 31.093 31.823 -0.055 0.000 0.646 487 V HN 0.568 nan 8.190 nan 0.000 0.447 488 D N -0.367 120.028 120.400 -0.007 0.000 2.348 488 D HA -0.021 4.619 4.640 -0.000 0.000 0.216 488 D C 1.695 177.992 176.300 -0.004 0.000 0.970 488 D CA 0.771 54.765 54.000 -0.010 0.000 0.889 488 D CB -0.059 40.733 40.800 -0.012 0.000 0.912 488 D HN 0.393 nan 8.370 nan 0.000 0.524 489 L N -0.787 120.438 121.223 0.003 0.000 2.592 489 L HA 0.218 4.558 4.340 -0.000 0.000 0.227 489 L C 1.409 178.281 176.870 0.003 0.000 1.127 489 L CA 0.183 55.024 54.840 0.001 0.000 0.884 489 L CB 0.050 42.109 42.059 0.000 0.000 1.065 489 L HN 0.057 nan 8.230 nan 0.000 0.457 490 G N 0.280 109.083 108.800 0.004 0.000 2.143 490 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.249 490 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.249 490 G C 0.137 175.044 174.900 0.010 0.000 0.981 490 G CA -0.072 45.030 45.100 0.004 0.000 0.665 490 G HN 0.215 nan 8.290 nan 0.000 0.528 491 L N -0.124 121.112 121.223 0.021 0.000 2.365 491 L HA 0.648 4.988 4.340 -0.000 0.000 0.267 491 L C 1.295 178.197 176.870 0.054 0.000 1.033 491 L CA -1.257 53.600 54.840 0.029 0.000 0.802 491 L CB 1.030 43.110 42.059 0.036 0.000 1.267 491 L HN 0.005 nan 8.230 nan 0.000 0.457 492 L N 0.973 122.234 121.223 0.064 0.000 2.452 492 L HA 0.293 4.633 4.340 -0.000 0.000 0.267 492 L C -0.444 176.581 176.870 0.259 0.000 1.188 492 L CA -0.377 54.547 54.840 0.140 0.000 0.821 492 L CB 0.927 43.089 42.059 0.171 0.000 1.102 492 L HN 0.216 nan 8.230 nan 0.000 0.470 493 V N 2.490 122.564 119.914 0.266 0.000 2.444 493 V HA 0.410 4.530 4.120 -0.000 0.000 0.294 493 V C -0.267 176.083 176.094 0.427 0.000 1.022 493 V CA -0.687 61.827 62.300 0.356 0.000 0.850 493 V CB 1.763 33.675 31.823 0.148 0.000 0.992 493 V HN 0.671 nan 8.190 nan 0.000 0.426 494 K N 4.997 125.648 120.400 0.418 0.000 2.443 494 K HA 0.631 4.951 4.320 -0.000 0.000 0.252 494 K C -1.291 175.365 176.600 0.095 0.000 0.933 494 K CA -0.692 55.693 56.287 0.163 0.000 0.792 494 K CB 1.821 34.197 32.500 -0.206 0.000 1.185 494 K HN 0.626 nan 8.250 nan 0.000 0.425 495 I N 4.636 125.160 120.570 -0.076 0.000 2.312 495 I HA 0.055 4.225 4.170 -0.000 0.000 0.291 495 I C 1.237 177.289 176.117 -0.107 0.000 1.031 495 I CA -0.151 61.091 61.300 -0.096 0.000 1.293 495 I CB 1.498 39.351 38.000 -0.245 0.000 1.403 495 I HN 0.839 nan 8.210 nan 0.000 0.484 496 T N 0.874 115.358 114.554 -0.118 0.000 3.023 496 T HA 0.174 4.524 4.350 -0.000 0.000 0.249 496 T C 0.800 175.456 174.700 -0.075 0.000 1.050 496 T CA 0.220 62.230 62.100 -0.149 0.000 1.088 496 T CB 0.134 68.865 68.868 -0.228 0.000 0.946 496 T HN 0.594 nan 8.240 nan 0.000 0.480 497 E N 0.989 121.082 120.200 -0.180 0.000 3.521 497 E HA 0.298 4.648 4.350 -0.000 0.000 0.183 497 E C -0.944 175.541 176.600 -0.192 0.000 0.981 497 E CA -0.478 55.795 56.400 -0.212 0.000 1.349 497 E CB 0.676 29.848 29.700 -0.881 0.000 1.102 497 E HN 0.234 nan 8.360 nan 0.000 0.449 498 L N 2.876 124.098 121.223 -0.001 0.000 2.499 498 L HA 0.116 4.456 4.340 -0.000 0.000 0.273 498 L C -0.525 176.477 176.870 0.221 0.000 1.195 498 L CA 0.697 55.559 54.840 0.037 0.000 0.882 498 L CB 0.121 42.243 42.059 0.105 0.000 1.133 498 L HN 0.125 nan 8.230 nan 0.000 0.483 499 D N 3.054 123.580 120.400 0.209 0.000 2.615 499 D HA 0.521 5.161 4.640 -0.000 0.000 0.267 499 D C -1.415 174.952 176.300 0.113 0.000 1.236 499 D CA -0.591 53.592 54.000 0.305 0.000 0.839 499 D CB 1.572 42.671 40.800 0.499 0.000 1.380 499 D HN 0.223 nan 8.370 nan 0.000 0.433 500 V N 0.130 120.092 119.914 0.080 0.000 2.439 500 V HA 0.694 4.814 4.120 -0.000 0.000 0.277 500 V C 0.023 176.184 176.094 0.112 0.000 1.008 500 V CA -0.927 61.356 62.300 -0.027 0.000 0.846 500 V CB 0.883 32.515 31.823 -0.318 0.000 1.031 500 V HN 0.932 nan 8.190 nan 0.000 0.441 501 A N 3.879 126.772 122.820 0.123 0.000 2.488 501 A HA 0.487 4.807 4.320 -0.000 0.000 0.249 501 A C 1.160 178.811 177.584 0.112 0.000 1.083 501 A CA 0.050 52.161 52.037 0.125 0.000 0.768 501 A CB 0.794 19.853 19.000 0.100 0.000 1.017 501 A HN 0.652 nan 8.150 nan 0.000 0.496 502 V N 3.137 123.135 119.914 0.141 0.000 2.407 502 V HA -0.056 4.064 4.120 -0.000 0.000 0.245 502 V C 0.916 177.072 176.094 0.104 0.000 1.041 502 V CA 1.387 63.785 62.300 0.162 0.000 1.040 502 V CB -0.551 31.464 31.823 0.320 0.000 0.671 502 V HN 0.826 nan 8.190 nan 0.000 0.455 503 N N 0.891 119.602 118.700 0.018 0.000 2.314 503 N HA 0.478 5.218 4.740 -0.000 0.000 0.304 503 N C -0.999 174.477 175.510 -0.058 0.000 1.073 503 N CA -0.257 52.771 53.050 -0.037 0.000 0.822 503 N CB 2.305 40.697 38.487 -0.158 0.000 1.280 503 N HN 0.155 nan 8.380 nan 0.000 0.489 504 Q N 1.600 121.270 119.800 -0.216 0.000 2.313 504 Q HA 0.256 4.596 4.340 -0.000 0.000 0.255 504 Q C -2.404 173.183 176.000 -0.688 0.000 0.944 504 Q CA -1.253 54.281 55.803 -0.447 0.000 0.881 504 Q CB 2.637 31.237 28.738 -0.230 0.000 1.375 504 Q HN 0.232 nan 8.270 nan 0.000 0.422 505 P HA -0.074 nan 4.420 nan 0.000 0.225 505 P C 0.401 177.347 177.300 -0.590 0.000 1.148 505 P CA 1.134 63.669 63.100 -0.940 0.000 0.779 505 P CB 0.236 31.315 31.700 -1.034 0.000 0.780 506 H N -2.655 116.229 119.070 -0.311 0.000 2.549 506 H HA 0.278 4.834 4.556 -0.000 0.000 0.279 506 H C 0.076 175.319 175.328 -0.141 0.000 1.018 506 H CA -0.144 55.801 56.048 -0.171 0.000 1.175 506 H CB -0.075 29.603 29.762 -0.140 0.000 1.485 506 H HN 0.148 nan 8.280 nan 0.000 0.543 507 c N 0.526 119.099 118.600 -0.045 0.000 2.898 507 c HA 0.134 4.704 4.570 -0.000 0.000 0.304 507 c C 0.143 174.247 174.090 0.025 0.000 1.237 507 c CA -1.069 55.249 56.329 -0.019 0.000 1.529 507 c CB 2.218 44.739 42.510 0.019 0.000 2.021 507 c HN 0.525 nan 8.230 nan 0.000 0.474 508 D N 1.600 122.013 120.400 0.021 0.000 2.701 508 D HA -0.222 4.418 4.640 -0.000 0.000 0.235 508 D C 0.882 177.208 176.300 0.043 0.000 1.155 508 D CA 1.440 55.462 54.000 0.038 0.000 0.649 508 D CB -0.867 39.968 40.800 0.059 0.000 1.050 508 D HN 1.446 nan 8.370 nan 0.000 0.425 509 A N -0.904 121.933 122.820 0.027 0.000 2.783 509 A HA -0.314 4.006 4.320 -0.000 0.000 0.292 509 A C 0.458 178.066 177.584 0.040 0.000 1.495 509 A CA 1.185 53.234 52.037 0.021 0.000 0.787 509 A CB -2.321 16.678 19.000 -0.002 0.000 1.017 509 A HN 0.614 nan 8.150 nan 0.000 0.516 510 Y N 0.523 120.788 120.300 -0.058 0.000 2.805 510 Y HA 0.289 4.839 4.550 -0.000 0.000 0.337 510 Y C -0.506 175.360 175.900 -0.057 0.000 1.252 510 Y CA 0.277 58.342 58.100 -0.059 0.000 1.515 510 Y CB 0.698 39.106 38.460 -0.086 0.000 1.305 510 Y HN 0.357 nan 8.280 nan 0.000 0.600 511 P HA 0.186 nan 4.420 nan 0.000 0.254 511 P C 0.344 177.395 177.300 -0.416 0.000 1.494 511 P CA 0.657 63.142 63.100 -1.024 0.000 0.961 511 P CB 0.097 31.178 31.700 -1.033 0.000 1.493 512 A N 1.559 124.253 122.820 -0.211 0.000 1.978 512 A HA -0.162 4.158 4.320 -0.000 0.000 0.220 512 A C 1.342 178.872 177.584 -0.091 0.000 1.170 512 A CA 1.524 53.489 52.037 -0.121 0.000 0.636 512 A CB -0.958 18.001 19.000 -0.068 0.000 0.810 512 A HN 0.351 nan 8.150 nan 0.000 0.448 513 N N -1.244 117.413 118.700 -0.072 0.000 2.351 513 N HA 0.147 4.887 4.740 -0.000 0.000 0.254 513 N C -0.216 175.290 175.510 -0.008 0.000 1.241 513 N CA -0.249 52.785 53.050 -0.027 0.000 0.883 513 N CB 0.598 39.086 38.487 0.003 0.000 1.202 513 N HN 0.351 nan 8.380 nan 0.000 0.512 514 K N 1.650 122.012 120.400 -0.063 0.000 2.524 514 K HA 0.031 4.351 4.320 -0.000 0.000 0.279 514 K C -0.598 176.024 176.600 0.037 0.000 0.993 514 K CA 0.463 56.741 56.287 -0.015 0.000 1.030 514 K CB 0.436 32.849 32.500 -0.144 0.000 0.891 514 K HN 0.182 nan 8.250 nan 0.000 0.488 515 I N 4.274 124.905 120.570 0.102 0.000 2.330 515 I HA 0.160 4.329 4.170 -0.000 0.000 0.286 515 I C -0.493 175.751 176.117 0.212 0.000 1.025 515 I CA -0.551 60.823 61.300 0.124 0.000 1.197 515 I CB 1.067 39.150 38.000 0.138 0.000 1.358 515 I HN 0.594 nan 8.210 nan 0.000 0.467 516 N N 7.600 126.388 118.700 0.147 0.000 2.718 516 N HA 0.372 5.112 4.740 -0.000 0.000 0.260 516 N C -2.579 172.988 175.510 0.095 0.000 1.089 516 N CA -0.936 52.237 53.050 0.205 0.000 1.021 516 N CB 1.856 40.437 38.487 0.156 0.000 1.618 516 N HN 0.268 nan 8.380 nan 0.000 0.554 517 P HA 0.221 nan 4.420 nan 0.000 0.274 517 P C -0.420 176.782 177.300 -0.163 0.000 1.260 517 P CA -0.686 62.435 63.100 0.035 0.000 0.793 517 P CB 0.597 32.277 31.700 -0.032 0.000 1.048 518 L N 1.199 122.029 121.223 -0.654 0.000 2.490 518 L HA 0.179 4.519 4.340 -0.000 0.000 0.274 518 L C 0.490 177.118 176.870 -0.404 0.000 1.201 518 L CA 0.766 55.093 54.840 -0.855 0.000 0.869 518 L CB -0.147 40.978 42.059 -1.557 0.000 1.123 518 L HN 0.711 nan 8.230 nan 0.000 0.484 519 T N 0.362 114.761 114.554 -0.259 0.000 2.949 519 T HA 0.381 4.731 4.350 -0.000 0.000 0.287 519 T C 0.696 175.305 174.700 -0.151 0.000 1.034 519 T CA -0.078 61.926 62.100 -0.161 0.000 1.018 519 T CB 1.317 70.128 68.868 -0.095 0.000 1.135 519 T HN 0.661 nan 8.240 nan 0.000 0.532 520 E N 0.953 121.086 120.200 -0.111 0.000 2.077 520 E HA -0.054 4.296 4.350 -0.000 0.000 0.193 520 E C 2.240 178.779 176.600 -0.102 0.000 0.989 520 E CA 1.678 58.020 56.400 -0.097 0.000 0.800 520 E CB -0.839 28.831 29.700 -0.050 0.000 0.746 520 E HN 0.769 nan 8.360 nan 0.000 0.452 521 A N 1.028 123.800 122.820 -0.079 0.000 1.883 521 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 521 A C 2.495 180.041 177.584 -0.063 0.000 1.186 521 A CA 2.287 54.283 52.037 -0.069 0.000 0.624 521 A CB -1.191 17.782 19.000 -0.046 0.000 0.822 521 A HN 0.450 nan 8.150 nan 0.000 0.444 522 A N -1.005 121.781 122.820 -0.057 0.000 1.930 522 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 522 A C 2.114 179.675 177.584 -0.038 0.000 1.175 522 A CA 1.557 53.577 52.037 -0.028 0.000 0.627 522 A CB -0.543 18.451 19.000 -0.011 0.000 0.815 522 A HN 0.657 nan 8.150 nan 0.000 0.443 523 Q N -0.636 119.110 119.800 -0.090 0.000 2.170 523 Q HA -0.072 4.268 4.340 -0.000 0.000 0.203 523 Q C 1.998 177.931 176.000 -0.112 0.000 0.976 523 Q CA 1.269 57.008 55.803 -0.107 0.000 0.858 523 Q CB -0.243 28.391 28.738 -0.173 0.000 0.907 523 Q HN 0.681 nan 8.270 nan 0.000 0.433 524 L N -0.316 120.824 121.223 -0.139 0.000 2.131 524 L HA -0.055 4.285 4.340 -0.000 0.000 0.206 524 L C 2.471 179.295 176.870 -0.077 0.000 1.087 524 L CA 0.609 55.353 54.840 -0.160 0.000 0.767 524 L CB -0.468 41.453 42.059 -0.231 0.000 0.917 524 L HN 0.158 nan 8.230 nan 0.000 0.441 525 A N -0.290 122.502 122.820 -0.047 0.000 1.908 525 A HA -0.310 4.010 4.320 -0.000 0.000 0.218 525 A C 2.251 179.848 177.584 0.022 0.000 1.181 525 A CA 2.052 54.083 52.037 -0.010 0.000 0.627 525 A CB -0.582 18.419 19.000 0.002 0.000 0.818 525 A HN 0.499 nan 8.150 nan 0.000 0.445 526 Q N -0.166 119.660 119.800 0.044 0.000 2.119 526 Q HA -0.214 4.126 4.340 -0.000 0.000 0.201 526 Q C 2.144 178.254 176.000 0.183 0.000 0.972 526 Q CA 1.851 57.727 55.803 0.123 0.000 0.847 526 Q CB -0.178 28.655 28.738 0.160 0.000 0.903 526 Q HN 0.726 nan 8.270 nan 0.000 0.433 527 K N 0.824 121.276 120.400 0.087 0.000 2.009 527 K HA -0.259 4.061 4.320 -0.000 0.000 0.210 527 K C 2.117 178.775 176.600 0.096 0.000 1.049 527 K CA 1.852 58.188 56.287 0.081 0.000 0.929 527 K CB -0.212 32.284 32.500 -0.007 0.000 0.714 527 K HN 0.056 nan 8.250 nan 0.000 0.440 528 K N 0.221 120.648 120.400 0.046 0.000 2.057 528 K HA -0.206 4.114 4.320 -0.000 0.000 0.207 528 K C 2.387 179.011 176.600 0.041 0.000 1.049 528 K CA 1.403 57.710 56.287 0.033 0.000 0.931 528 K CB -0.095 32.410 32.500 0.008 0.000 0.714 528 K HN 0.002 nan 8.250 nan 0.000 0.440 529 R N -0.025 120.501 120.500 0.042 0.000 2.066 529 R HA -0.122 4.218 4.340 -0.000 0.000 0.232 529 R C 1.932 178.215 176.300 -0.028 0.000 1.131 529 R CA 1.689 57.785 56.100 -0.008 0.000 0.955 529 R CB -1.026 29.255 30.300 -0.032 0.000 0.851 529 R HN 0.277 nan 8.270 nan 0.000 0.432 530 Y N -0.470 119.827 120.300 -0.005 0.000 2.165 530 Y HA -0.304 4.246 4.550 -0.000 0.000 0.286 530 Y C 2.738 178.583 175.900 -0.092 0.000 1.155 530 Y CA 1.860 59.942 58.100 -0.030 0.000 1.164 530 Y CB -0.801 37.683 38.460 0.039 0.000 0.978 530 Y HN 0.272 nan 8.280 nan 0.000 0.513 531 c N 0.151 118.823 118.600 0.121 0.000 2.432 531 c HA -0.195 4.375 4.570 -0.000 0.000 0.277 531 c C 2.496 176.583 174.090 -0.004 0.000 1.249 531 c CA 1.730 58.086 56.329 0.046 0.000 1.725 531 c CB -1.116 41.428 42.510 0.057 0.000 2.028 531 c HN 0.537 nan 8.230 nan 0.000 0.477 532 D N 0.125 120.519 120.400 -0.009 0.000 2.117 532 D HA -0.102 4.538 4.640 -0.000 0.000 0.197 532 D C 2.291 178.558 176.300 -0.055 0.000 0.987 532 D CA 1.446 55.428 54.000 -0.029 0.000 0.829 532 D CB -0.384 40.398 40.800 -0.030 0.000 0.961 532 D HN 0.408 nan 8.370 nan 0.000 0.460 533 V N 0.524 120.389 119.914 -0.083 0.000 2.323 533 V HA -0.175 3.945 4.120 -0.000 0.000 0.244 533 V C 2.656 178.685 176.094 -0.107 0.000 1.041 533 V CA 0.913 63.147 62.300 -0.109 0.000 1.025 533 V CB -0.384 31.345 31.823 -0.156 0.000 0.656 533 V HN 0.044 nan 8.190 nan 0.000 0.451 534 V N 0.299 120.115 119.914 -0.163 0.000 2.343 534 V HA -0.314 3.806 4.120 -0.000 0.000 0.247 534 V C 2.429 178.506 176.094 -0.028 0.000 1.051 534 V CA 2.464 64.653 62.300 -0.186 0.000 1.036 534 V CB -0.734 30.826 31.823 -0.438 0.000 0.654 534 V HN 0.596 nan 8.190 nan 0.000 0.451 535 K N 0.516 120.900 120.400 -0.026 0.000 2.063 535 K HA -0.199 4.121 4.320 -0.000 0.000 0.208 535 K C 2.176 178.769 176.600 -0.012 0.000 1.048 535 K CA 1.666 57.953 56.287 0.000 0.000 0.928 535 K CB -0.377 32.121 32.500 -0.003 0.000 0.713 535 K HN 0.410 nan 8.250 nan 0.000 0.442 536 A N 0.421 123.224 122.820 -0.028 0.000 1.908 536 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 536 A C 2.079 179.629 177.584 -0.056 0.000 1.181 536 A CA 1.552 53.558 52.037 -0.051 0.000 0.627 536 A CB -0.963 17.996 19.000 -0.068 0.000 0.818 536 A HN 0.618 nan 8.150 nan 0.000 0.445 537 Y N 0.531 120.732 120.300 -0.165 0.000 2.128 537 Y HA -0.193 4.357 4.550 -0.000 0.000 0.284 537 Y C 1.992 177.779 175.900 -0.189 0.000 1.154 537 Y CA 2.038 60.018 58.100 -0.200 0.000 1.149 537 Y CB -0.314 38.017 38.460 -0.215 0.000 0.976 537 Y HN 0.222 nan 8.280 nan 0.000 0.505 538 L N -0.241 120.950 121.223 -0.055 0.000 2.046 538 L HA -0.223 4.117 4.340 -0.000 0.000 0.208 538 L C 1.983 178.767 176.870 -0.143 0.000 1.077 538 L CA 1.534 56.306 54.840 -0.113 0.000 0.747 538 L CB -0.595 41.487 42.059 0.039 0.000 0.896 538 L HN 0.186 nan 8.230 nan 0.000 0.432 539 D N -0.906 119.432 120.400 -0.103 0.000 2.219 539 D HA -0.114 4.525 4.640 -0.000 0.000 0.205 539 D C 2.110 178.333 176.300 -0.129 0.000 0.970 539 D CA 1.312 55.257 54.000 -0.091 0.000 0.851 539 D CB 0.028 40.790 40.800 -0.064 0.000 0.943 539 D HN 0.263 nan 8.370 nan 0.000 0.488 540 T N -0.270 114.172 114.554 -0.187 0.000 3.010 540 T HA 0.105 4.455 4.350 -0.000 0.000 0.252 540 T C 0.901 175.453 174.700 -0.247 0.000 1.047 540 T CA 0.118 62.099 62.100 -0.199 0.000 1.140 540 T CB 0.783 69.525 68.868 -0.210 0.000 0.885 540 T HN -0.132 nan 8.240 nan 0.000 0.464 541 V N 4.279 123.963 119.914 -0.383 0.000 2.347 541 V HA 0.339 4.459 4.120 -0.000 0.000 0.280 541 V C -2.483 173.422 176.094 -0.315 0.000 1.021 541 V CA -2.436 59.611 62.300 -0.421 0.000 0.847 541 V CB 1.116 32.470 31.823 -0.781 0.000 0.990 541 V HN 0.134 nan 8.190 nan 0.000 0.444 542 P HA 0.099 nan 4.420 nan 0.000 0.269 542 P C 1.241 178.478 177.300 -0.106 0.000 1.215 542 P CA 0.010 63.039 63.100 -0.118 0.000 0.780 542 P CB 0.760 32.416 31.700 -0.073 0.000 0.898 543 V N 1.713 121.597 119.914 -0.049 0.000 2.250 543 V HA -0.312 3.808 4.120 -0.000 0.000 0.253 543 V C 1.744 177.852 176.094 0.024 0.000 1.065 543 V CA 2.225 64.530 62.300 0.009 0.000 1.039 543 V CB -0.953 30.898 31.823 0.045 0.000 0.647 543 V HN 0.620 nan 8.190 nan 0.000 0.446 544 N N -0.650 118.059 118.700 0.015 0.000 2.461 544 N HA -0.033 4.707 4.740 -0.000 0.000 0.188 544 N C 1.505 177.031 175.510 0.027 0.000 1.134 544 N CA 0.535 53.604 53.050 0.032 0.000 0.878 544 N CB 0.117 38.620 38.487 0.027 0.000 0.972 544 N HN 0.640 nan 8.380 nan 0.000 0.456 545 Q N -0.365 119.431 119.800 -0.006 0.000 2.219 545 Q HA 0.218 4.558 4.340 -0.000 0.000 0.209 545 Q C -0.298 175.699 176.000 -0.004 0.000 0.854 545 Q CA -0.110 55.692 55.803 -0.002 0.000 0.960 545 Q CB 0.699 29.420 28.738 -0.029 0.000 1.116 545 Q HN 0.081 nan 8.270 nan 0.000 0.500 546 R N 0.084 120.576 120.500 -0.013 0.000 2.220 546 R HA 0.171 4.510 4.340 -0.000 0.000 0.340 546 R C 0.999 177.404 176.300 0.176 0.000 1.076 546 R CA -0.121 55.978 56.100 -0.001 0.000 0.920 546 R CB 0.657 30.857 30.300 -0.168 0.000 1.062 546 R HN 0.170 nan 8.270 nan 0.000 0.469 547 G N 1.643 110.596 108.800 0.255 0.000 2.712 547 G HA2 0.280 4.240 3.960 -0.000 0.000 0.212 547 G HA3 0.280 4.240 3.960 -0.000 0.000 0.212 547 G C 0.515 175.506 174.900 0.152 0.000 1.142 547 G CA 0.541 45.802 45.100 0.268 0.000 0.789 547 G HN 0.844 nan 8.290 nan 0.000 0.535 548 G N -0.863 108.052 108.800 0.192 0.000 2.362 548 G HA2 0.117 4.077 3.960 -0.000 0.000 0.656 548 G HA3 0.117 4.077 3.960 -0.000 0.000 0.656 548 G C -1.218 173.662 174.900 -0.033 0.000 1.376 548 G CA -0.902 44.309 45.100 0.184 0.000 0.971 548 G HN 0.383 nan 8.290 nan 0.000 0.636 549 I N 0.960 121.597 120.570 0.112 0.000 2.436 549 I HA 0.570 4.740 4.170 -0.000 0.000 0.289 549 I C 0.129 176.383 176.117 0.228 0.000 1.010 549 I CA -0.696 60.614 61.300 0.017 0.000 1.098 549 I CB 2.128 40.154 38.000 0.045 0.000 1.266 549 I HN 0.442 nan 8.210 nan 0.000 0.434 550 S N 4.677 120.474 115.700 0.163 0.000 2.536 550 S HA 0.646 5.116 4.470 -0.000 0.000 0.298 550 S C -0.449 174.281 174.600 0.215 0.000 1.083 550 S CA -0.732 57.585 58.200 0.194 0.000 0.995 550 S CB 2.447 65.730 63.200 0.137 0.000 1.058 550 S HN 0.435 nan 8.310 nan 0.000 0.488 551 V N 0.199 120.237 119.914 0.206 0.000 2.532 551 V HA 0.535 4.655 4.120 -0.000 0.000 0.295 551 V C -0.330 175.874 176.094 0.182 0.000 1.041 551 V CA -0.859 61.598 62.300 0.263 0.000 0.926 551 V CB 1.229 33.257 31.823 0.341 0.000 0.992 551 V HN 1.044 nan 8.190 nan 0.000 0.457 552 W N 5.085 126.415 121.300 0.051 0.000 1.518 552 W HA 0.580 5.240 4.660 -0.000 0.000 0.426 552 W C 0.484 177.019 176.519 0.027 0.000 0.675 552 W CA 0.746 58.083 57.345 -0.015 0.000 1.936 552 W CB 0.147 29.612 29.460 0.007 0.000 1.749 552 W HN 1.256 nan 8.180 nan 0.000 0.247 553 G N 0.705 109.355 108.800 -0.250 0.000 2.340 553 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.527 553 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.527 553 G C 0.177 175.023 174.900 -0.090 0.000 1.381 553 G CA -0.169 44.797 45.100 -0.223 0.000 1.001 553 G HN 0.127 nan 8.290 nan 0.000 0.626 554 T N -2.873 111.642 114.554 -0.065 0.000 3.146 554 T HA 0.483 4.833 4.350 -0.000 0.000 0.235 554 T C 1.390 176.169 174.700 0.130 0.000 0.985 554 T CA 1.621 63.766 62.100 0.075 0.000 1.265 554 T CB -0.058 68.823 68.868 0.023 0.000 0.946 554 T HN 1.467 nan 8.240 nan 0.000 0.418 555 T N 0.962 115.461 114.554 -0.092 0.000 2.875 555 T HA 0.285 4.635 4.350 -0.000 0.000 0.284 555 T C 0.328 174.975 174.700 -0.089 0.000 0.995 555 T CA -0.579 61.404 62.100 -0.194 0.000 1.060 555 T CB 0.893 69.344 68.868 -0.696 0.000 0.967 555 T HN 0.088 nan 8.240 nan 0.000 0.476 556 D N 3.020 123.427 120.400 0.011 0.000 2.311 556 D HA -0.043 4.597 4.640 -0.000 0.000 0.212 556 D C 1.984 178.294 176.300 0.017 0.000 0.972 556 D CA 1.236 55.284 54.000 0.080 0.000 0.887 556 D CB -0.217 40.716 40.800 0.223 0.000 0.915 556 D HN 0.707 nan 8.370 nan 0.000 0.497 557 A N 0.159 122.949 122.820 -0.050 0.000 2.121 557 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 557 A C 1.466 178.951 177.584 -0.165 0.000 1.154 557 A CA 0.906 52.928 52.037 -0.025 0.000 0.679 557 A CB -0.088 18.957 19.000 0.076 0.000 0.795 557 A HN 0.128 nan 8.150 nan 0.000 0.458 558 N N -0.812 117.695 118.700 -0.322 0.000 2.622 558 N HA 0.091 4.831 4.740 -0.000 0.000 0.304 558 N C -0.486 174.905 175.510 -0.199 0.000 1.844 558 N CA 0.129 52.899 53.050 -0.467 0.000 0.886 558 N CB 0.298 38.062 38.487 -1.205 0.000 1.366 558 N HN 0.086 nan 8.380 nan 0.000 0.491 559 T N -0.180 114.342 114.554 -0.052 0.000 2.889 559 T HA 0.100 4.450 4.350 -0.000 0.000 0.291 559 T C 1.562 176.348 174.700 0.145 0.000 0.995 559 T CA -0.613 61.550 62.100 0.105 0.000 1.092 559 T CB 0.215 69.161 68.868 0.130 0.000 0.954 559 T HN 0.409 nan 8.240 nan 0.000 0.506 560 W N 5.652 126.972 121.300 0.032 0.000 2.421 560 W HA -0.061 4.599 4.660 -0.000 0.000 0.270 560 W C 0.988 177.468 176.519 -0.067 0.000 1.233 560 W CA 0.584 57.934 57.345 0.008 0.000 1.226 560 W CB -1.265 28.261 29.460 0.110 0.000 1.121 560 W HN 0.646 nan 8.180 nan 0.000 0.579 561 L N 0.936 121.776 121.223 -0.638 0.000 2.141 561 L HA -0.176 4.164 4.340 -0.000 0.000 0.209 561 L C 2.309 178.972 176.870 -0.345 0.000 1.094 561 L CA 1.562 55.958 54.840 -0.741 0.000 0.763 561 L CB -0.838 41.000 42.059 -0.368 0.000 0.908 561 L HN -0.168 nan 8.230 nan 0.000 0.437 562 D N 0.178 120.504 120.400 -0.124 0.000 2.178 562 D HA -0.109 4.531 4.640 -0.000 0.000 0.202 562 D C 2.130 178.378 176.300 -0.086 0.000 0.974 562 D CA 1.426 55.438 54.000 0.021 0.000 0.841 562 D CB -0.129 40.672 40.800 0.002 0.000 0.953 562 D HN 0.322 nan 8.370 nan 0.000 0.478 563 G N 0.682 109.391 108.800 -0.152 0.000 2.408 563 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.215 563 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.215 563 G C 1.585 176.310 174.900 -0.292 0.000 1.156 563 G CA 0.257 45.261 45.100 -0.159 0.000 0.793 563 G HN 0.226 nan 8.290 nan 0.000 0.535 564 L N -0.440 120.485 121.223 -0.498 0.000 2.046 564 L HA 0.078 4.418 4.340 -0.000 0.000 0.208 564 L C 1.545 177.897 176.870 -0.863 0.000 1.077 564 L CA 1.374 55.755 54.840 -0.766 0.000 0.747 564 L CB -0.399 40.908 42.059 -1.254 0.000 0.896 564 L HN 0.277 nan 8.230 nan 0.000 0.432 565 Y N -0.590 119.327 120.300 -0.637 0.000 2.658 565 Y HA 0.273 4.823 4.550 -0.000 0.000 0.276 565 Y C 2.019 177.482 175.900 -0.730 0.000 1.167 565 Y CA -0.259 57.310 58.100 -0.886 0.000 1.230 565 Y CB -0.643 36.824 38.460 -1.655 0.000 1.144 565 Y HN 0.173 nan 8.280 nan 0.000 0.529 566 R N 1.287 121.623 120.500 -0.273 0.000 2.105 566 R HA -0.237 4.103 4.340 -0.000 0.000 0.239 566 R C 1.771 178.049 176.300 -0.037 0.000 1.135 566 R CA 2.126 58.175 56.100 -0.084 0.000 0.967 566 R CB -0.055 30.204 30.300 -0.068 0.000 0.861 566 R HN 0.544 nan 8.270 nan 0.000 0.442 567 E N 0.325 120.479 120.200 -0.076 0.000 2.028 567 E HA -0.235 4.115 4.350 -0.000 0.000 0.191 567 E C 1.992 178.596 176.600 0.008 0.000 0.988 567 E CA 1.526 57.910 56.400 -0.028 0.000 0.799 567 E CB 0.031 29.708 29.700 -0.037 0.000 0.755 567 E HN 0.448 nan 8.360 nan 0.000 0.447 568 Q N -0.471 119.302 119.800 -0.045 0.000 2.170 568 Q HA -0.107 4.233 4.340 -0.000 0.000 0.203 568 Q C 1.641 177.811 176.000 0.283 0.000 0.976 568 Q CA 1.157 56.983 55.803 0.039 0.000 0.858 568 Q CB -0.086 28.548 28.738 -0.173 0.000 0.907 568 Q HN 0.293 nan 8.270 nan 0.000 0.433 569 F N 1.132 121.086 119.950 0.006 0.000 2.802 569 F HA 0.067 4.594 4.527 -0.000 0.000 0.300 569 F C 0.160 175.969 175.800 0.016 0.000 1.168 569 F CA 0.228 58.234 58.000 0.011 0.000 1.433 569 F CB -0.584 38.366 39.000 -0.083 0.000 1.115 569 F HN 0.129 nan 8.300 nan 0.000 0.582 570 E N 0.506 120.823 120.200 0.195 0.000 2.360 570 E HA -0.318 4.032 4.350 -0.000 0.000 0.238 570 E C -0.152 176.499 176.600 0.085 0.000 1.186 570 E CA 0.626 57.089 56.400 0.105 0.000 0.719 570 E CB -1.425 28.324 29.700 0.082 0.000 1.236 570 E HN 0.414 nan 8.360 nan 0.000 0.386 571 D N -1.675 118.783 120.400 0.097 0.000 3.077 571 D HA -0.163 4.477 4.640 -0.000 0.000 0.212 571 D C -0.082 176.250 176.300 0.052 0.000 1.125 571 D CA 1.500 55.538 54.000 0.064 0.000 0.970 571 D CB -0.516 40.306 40.800 0.038 0.000 1.110 571 D HN 0.535 nan 8.370 nan 0.000 0.419 572 E N 0.364 120.595 120.200 0.051 0.000 2.277 572 E HA 0.276 4.626 4.350 -0.000 0.000 0.274 572 E C 0.228 176.755 176.600 -0.122 0.000 1.022 572 E CA -0.406 55.976 56.400 -0.031 0.000 0.853 572 E CB 1.114 30.780 29.700 -0.058 0.000 1.086 572 E HN -0.003 nan 8.360 nan 0.000 0.397 573 K N 2.998 123.293 120.400 -0.175 0.000 2.180 573 K HA 0.173 4.493 4.320 -0.000 0.000 0.250 573 K C 0.543 176.653 176.600 -0.817 0.000 1.135 573 K CA 0.078 56.182 56.287 -0.305 0.000 1.037 573 K CB -0.340 32.077 32.500 -0.138 0.000 1.624 573 K HN 0.475 nan 8.250 nan 0.000 0.382 574 I N -1.623 118.264 120.570 -1.138 0.000 4.009 574 I HA 0.066 4.236 4.170 -0.000 0.000 0.331 574 I C 1.240 176.403 176.117 -1.590 0.000 1.462 574 I CA -0.192 59.963 61.300 -1.908 0.000 1.117 574 I CB 0.723 37.959 38.000 -1.273 0.000 1.091 574 I HN 0.143 nan 8.210 nan 0.000 0.410 575 S N -0.688 114.439 115.700 -0.955 0.000 2.446 575 S HA -0.060 4.410 4.470 -0.000 0.000 0.225 575 S C 0.643 175.193 174.600 -0.084 0.000 1.016 575 S CA -0.237 57.769 58.200 -0.324 0.000 0.943 575 S CB -0.570 62.655 63.200 0.041 0.000 0.786 575 S HN 0.605 nan 8.310 nan 0.000 0.508 576 W N 2.662 123.964 121.300 0.003 0.000 7.770 576 W HA -0.076 4.584 4.660 -0.000 0.000 0.420 576 W C -2.317 174.252 176.519 0.083 0.000 1.677 576 W CA 0.383 57.745 57.345 0.029 0.000 1.245 576 W CB -2.012 27.448 29.460 -0.000 0.000 2.908 576 W HN 0.432 nan 8.180 nan 0.000 1.678 577 P HA 0.135 nan 4.420 nan 0.000 0.274 577 P C 0.662 178.192 177.300 0.384 0.000 1.352 577 P CA 0.558 63.837 63.100 0.298 0.000 0.947 577 P CB 0.639 32.495 31.700 0.260 0.000 1.437 578 L N -1.113 120.293 121.223 0.304 0.000 2.267 578 L HA 0.424 4.763 4.340 -0.000 0.000 0.264 578 L C 1.855 178.757 176.870 0.053 0.000 1.021 578 L CA -1.113 53.879 54.840 0.253 0.000 0.861 578 L CB 0.822 43.009 42.059 0.214 0.000 1.443 578 L HN -0.320 nan 8.230 nan 0.000 0.475 579 L N -0.500 120.663 121.223 -0.099 0.000 2.418 579 L HA 0.157 4.497 4.340 -0.000 0.000 0.218 579 L C -0.463 175.986 176.870 -0.702 0.000 1.125 579 L CA 0.683 55.219 54.840 -0.508 0.000 0.835 579 L CB -0.030 41.603 42.059 -0.710 0.000 0.953 579 L HN 0.239 nan 8.230 nan 0.000 0.454 580 F N -0.328 119.622 119.950 -0.000 0.000 2.563 580 F HA 0.302 4.829 4.527 -0.000 0.000 0.316 580 F C 0.284 176.073 175.800 -0.017 0.000 1.076 580 F CA -1.750 56.252 58.000 0.002 0.000 0.921 580 F CB 1.073 40.082 39.000 0.015 0.000 1.209 580 F HN -0.118 nan 8.300 nan 0.000 0.462 581 D N -0.155 120.346 120.400 0.169 0.000 2.440 581 D HA 0.104 4.744 4.640 -0.000 0.000 0.269 581 D C 0.517 176.841 176.300 0.039 0.000 1.249 581 D CA -0.294 53.764 54.000 0.097 0.000 1.055 581 D CB 0.292 41.136 40.800 0.074 0.000 1.104 581 D HN 0.319 nan 8.370 nan 0.000 0.561 582 N N -0.811 117.928 118.700 0.066 0.000 2.364 582 N HA -0.094 4.646 4.740 -0.000 0.000 0.183 582 N C 0.366 175.931 175.510 0.092 0.000 1.022 582 N CA 0.619 53.704 53.050 0.057 0.000 0.883 582 N CB -0.302 38.257 38.487 0.120 0.000 0.965 582 N HN 0.361 nan 8.380 nan 0.000 0.438 583 N N -0.183 118.602 118.700 0.142 0.000 2.268 583 N HA 0.034 4.774 4.740 -0.000 0.000 0.204 583 N C -0.407 175.343 175.510 0.400 0.000 1.124 583 N CA -0.028 53.175 53.050 0.255 0.000 0.838 583 N CB 0.225 38.819 38.487 0.179 0.000 0.994 583 N HN 0.181 nan 8.380 nan 0.000 0.489 584 Y N -1.168 119.220 120.300 0.146 0.000 4.798 584 Y HA -0.275 4.274 4.550 -0.000 0.000 0.237 584 Y C 0.183 176.208 175.900 0.208 0.000 1.017 584 Y CA 0.032 58.214 58.100 0.137 0.000 2.010 584 Y CB -2.414 36.066 38.460 0.034 0.000 1.582 584 Y HN 0.139 nan 8.280 nan 0.000 0.621 585 N N 2.034 120.925 118.700 0.319 0.000 2.467 585 N HA 0.111 4.851 4.740 -0.000 0.000 0.262 585 N C -0.048 175.687 175.510 0.374 0.000 1.234 585 N CA -0.217 53.015 53.050 0.302 0.000 0.952 585 N CB 0.487 39.096 38.487 0.204 0.000 1.158 585 N HN 0.094 nan 8.380 nan 0.000 0.463 586 D N 1.019 121.617 120.400 0.329 0.000 2.423 586 D HA 0.087 4.727 4.640 -0.000 0.000 0.238 586 D C 0.251 176.675 176.300 0.207 0.000 1.142 586 D CA 0.680 54.798 54.000 0.197 0.000 0.884 586 D CB 0.850 41.742 40.800 0.153 0.000 1.199 586 D HN 0.239 nan 8.370 nan 0.000 0.438 587 K N 1.938 122.337 120.400 -0.002 0.000 2.238 587 K HA 0.299 4.619 4.320 -0.000 0.000 0.239 587 K C -1.763 174.784 176.600 -0.090 0.000 0.987 587 K CA -1.732 54.511 56.287 -0.073 0.000 0.857 587 K CB 1.439 33.860 32.500 -0.132 0.000 1.154 587 K HN -0.024 nan 8.250 nan 0.000 0.439 588 P HA -0.220 nan 4.420 nan 0.000 0.219 588 P C 0.742 177.996 177.300 -0.076 0.000 1.146 588 P CA 1.178 64.153 63.100 -0.208 0.000 0.808 588 P CB 0.130 31.638 31.700 -0.319 0.000 0.779 589 A N -0.268 122.478 122.820 -0.122 0.000 1.903 589 A HA -0.241 4.078 4.320 -0.000 0.000 0.219 589 A C 2.111 179.523 177.584 -0.286 0.000 1.191 589 A CA 1.869 53.793 52.037 -0.188 0.000 0.638 589 A CB -1.702 17.109 19.000 -0.314 0.000 0.823 589 A HN 0.207 nan 8.150 nan 0.000 0.451 590 L N -0.585 120.448 121.223 -0.317 0.000 2.046 590 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 590 L C 2.386 179.189 176.870 -0.111 0.000 1.077 590 L CA 2.510 57.148 54.840 -0.337 0.000 0.747 590 L CB -0.589 41.165 42.059 -0.508 0.000 0.896 590 L HN 0.392 nan 8.230 nan 0.000 0.432 591 R N -0.105 120.394 120.500 -0.003 0.000 2.096 591 R HA -0.046 4.294 4.340 -0.000 0.000 0.235 591 R C 2.178 178.530 176.300 0.087 0.000 1.127 591 R CA 1.589 57.733 56.100 0.074 0.000 0.968 591 R CB -1.241 29.167 30.300 0.180 0.000 0.861 591 R HN 0.468 nan 8.270 nan 0.000 0.440 592 G N -0.634 108.216 108.800 0.083 0.000 2.402 592 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.216 592 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.216 592 G C 1.324 176.323 174.900 0.164 0.000 1.162 592 G CA 0.610 45.778 45.100 0.113 0.000 0.777 592 G HN 0.361 nan 8.290 nan 0.000 0.539 593 F N 2.529 122.481 119.950 0.004 0.000 2.095 593 F HA -0.011 4.516 4.527 -0.000 0.000 0.298 593 F C 2.830 178.649 175.800 0.032 0.000 1.104 593 F CA 1.104 59.123 58.000 0.032 0.000 1.232 593 F CB -0.560 38.400 39.000 -0.066 0.000 0.987 593 F HN 0.232 nan 8.300 nan 0.000 0.475 594 A N -0.254 122.745 122.820 0.298 0.000 1.902 594 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 594 A C 2.022 179.697 177.584 0.151 0.000 1.181 594 A CA 1.944 54.092 52.037 0.186 0.000 0.623 594 A CB -1.012 18.032 19.000 0.072 0.000 0.818 594 A HN 0.405 nan 8.150 nan 0.000 0.443 595 D N 0.101 120.575 120.400 0.124 0.000 2.123 595 D HA -0.083 4.556 4.640 -0.000 0.000 0.196 595 D C 2.258 178.613 176.300 0.092 0.000 0.992 595 D CA 1.589 55.645 54.000 0.093 0.000 0.833 595 D CB -0.433 40.414 40.800 0.079 0.000 0.954 595 D HN 0.417 nan 8.370 nan 0.000 0.455 596 A N 0.647 123.526 122.820 0.099 0.000 1.877 596 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 596 A C 2.402 180.056 177.584 0.116 0.000 1.186 596 A CA 1.003 53.087 52.037 0.079 0.000 0.620 596 A CB -0.851 18.165 19.000 0.028 0.000 0.822 596 A HN 0.239 nan 8.150 nan 0.000 0.443 597 L N -0.316 121.010 121.223 0.173 0.000 2.127 597 L HA -0.159 4.181 4.340 -0.000 0.000 0.211 597 L C 2.313 179.265 176.870 0.137 0.000 1.089 597 L CA 1.625 56.584 54.840 0.199 0.000 0.757 597 L CB -0.569 41.634 42.059 0.240 0.000 0.899 597 L HN 0.708 nan 8.230 nan 0.000 0.434 598 I N -3.828 116.807 120.570 0.108 0.000 3.883 598 I HA 0.358 4.528 4.170 -0.000 0.000 0.326 598 I C 1.262 177.418 176.117 0.066 0.000 1.283 598 I CA 0.498 61.845 61.300 0.079 0.000 1.161 598 I CB -0.038 38.001 38.000 0.065 0.000 1.012 598 I HN 0.184 nan 8.210 nan 0.000 0.421 599 G N 1.670 110.511 108.800 0.068 0.000 2.147 599 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.244 599 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.244 599 G C 0.212 175.137 174.900 0.043 0.000 1.005 599 G CA 0.435 45.566 45.100 0.052 0.000 0.713 599 G HN 0.463 nan 8.290 nan 0.000 0.515 600 T N 0.631 115.213 114.554 0.047 0.000 2.907 600 T HA 0.357 4.706 4.350 -0.000 0.000 0.298 600 T C 0.617 175.339 174.700 0.036 0.000 1.017 600 T CA -0.016 62.108 62.100 0.041 0.000 1.118 600 T CB 1.257 70.153 68.868 0.047 0.000 0.948 600 T HN 0.425 nan 8.240 nan 0.000 0.531 601 Q N 1.760 121.577 119.800 0.029 0.000 2.263 601 Q HA 0.005 4.345 4.340 -0.000 0.000 0.289 601 Q C -0.528 175.487 176.000 0.025 0.000 1.061 601 Q CA -0.175 55.642 55.803 0.023 0.000 0.927 601 Q CB 0.134 28.883 28.738 0.019 0.000 1.154 601 Q HN 0.733 nan 8.270 nan 0.000 0.378 602 c N 4.878 123.492 118.600 0.022 0.000 2.657 602 c HA 0.263 4.833 4.570 -0.000 0.000 0.404 602 c C 0.829 174.928 174.090 0.014 0.000 1.369 602 c CA -0.285 56.057 56.329 0.022 0.000 1.665 602 c CB -1.487 41.033 42.510 0.016 0.000 2.453 602 c HN 0.791 nan 8.230 nan 0.000 0.599 603 T N 0.141 114.703 114.554 0.013 0.000 2.865 603 T HA 0.443 4.793 4.350 -0.000 0.000 0.294 603 T C -0.044 174.648 174.700 -0.015 0.000 1.119 603 T CA -0.719 61.381 62.100 0.000 0.000 1.007 603 T CB 1.409 70.277 68.868 0.001 0.000 1.225 603 T HN 0.579 nan 8.240 nan 0.000 0.515 604 N N 0.189 118.869 118.700 -0.032 0.000 2.451 604 N HA 0.211 4.951 4.740 -0.000 0.000 0.264 604 N C -0.217 175.227 175.510 -0.109 0.000 1.167 604 N CA -0.442 52.570 53.050 -0.064 0.000 0.898 604 N CB -0.058 38.399 38.487 -0.049 0.000 1.176 604 N HN 0.914 nan 8.380 nan 0.000 0.507 605 T N -3.687 110.809 114.554 -0.098 0.000 2.906 605 T HA 0.365 4.715 4.350 -0.000 0.000 0.295 605 T C -0.144 174.498 174.700 -0.096 0.000 1.061 605 T CA -0.710 61.322 62.100 -0.113 0.000 1.000 605 T CB 1.818 70.667 68.868 -0.032 0.000 1.103 605 T HN 0.039 nan 8.240 nan 0.000 0.486 606 H N 0.000 119.084 119.070 0.024 0.000 2.539 606 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 606 H CA 0.000 56.079 56.048 0.052 0.000 1.023 606 H CB 0.000 29.800 29.762 0.063 0.000 1.292 606 H HN 0.000 nan 8.280 nan 0.000 0.496