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 2x7j_1_A DATA FIRST_RESID 2 DATA SEQUENCE TVNPITHYIG SFIDEFALSG ITDAVVCPGS RSTPLAVLCA AHPDISVHVQ DATA SEQUENCE IDERSAGFFA LGLAKAKQRP VLLICTSGTA AANFYPAVVE AHYSRVPIIV DATA SEQUENCE LTADRPHELR EVGAPQAINQ HFLFGNFVKF FTDSALPEES PQMLRYIRTL DATA SEQUENCE ASRAAGEAQK RPMGPVHVNV PLREPLMPDL SDEPFGRMRT GRHVSVKTGT DATA SEQUENCE QSVDRESLSD VAEMLAEAEK GMIVCGELHS DADKENIIAL SKALQYPILA DATA SEQUENCE DPLSNLRNGV HDKSTVIDAY DSFLKDDELK RKLRPDVVIR FGPMPVSKPV DATA SEQUENCE FLWLKDDPTI QQIVIDEDGG WRDPTQASAH MIHCNASVFA EEIMAGLTAA DATA SEQUENCE TRSSEWLEKW QFVNGRFREH LQTISSEDVS FEGNLYRILQ HLVPENSSLF DATA SEQUENCE VGNSMPIRDV DTFFEKQDRP FRIYSNRGAN GIDGVVSSAM GVCEGTKAPV DATA SEQUENCE TLVIGDLSFY HDLNGLLAAK KLGIPLTVIL VNNDGGGIFS FLPQASEKTH DATA SEQUENCE FEDLFGTPTG LDFKHAAALY GGTYSCPASW DEFKTAYAPQ ADKPGLHLIE DATA SEQUENCE IKTDRQSRVQ LHRDMLNEAV REVKKQWEL 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.707 174.700 0.012 0.000 1.109 2 T CA 0.000 62.105 62.100 0.008 0.000 1.349 2 T CB 0.000 68.871 68.868 0.005 0.000 0.612 3 V N 2.319 122.245 119.914 0.020 0.000 2.607 3 V HA 0.527 4.642 4.120 -0.008 0.000 0.289 3 V C 0.531 176.639 176.094 0.023 0.000 1.053 3 V CA -0.793 61.527 62.300 0.033 0.000 0.996 3 V CB 1.104 32.967 31.823 0.067 0.000 0.995 3 V HN 0.920 nan 8.190 nan 0.000 0.476 4 N N 6.268 124.976 118.700 0.014 0.000 2.430 4 N HA 0.258 4.993 4.740 -0.008 0.000 0.265 4 N C -1.214 174.306 175.510 0.016 0.000 1.100 4 N CA -2.057 50.995 53.050 0.003 0.000 0.961 4 N CB 1.610 40.090 38.487 -0.012 0.000 1.075 4 N HN 0.312 nan 8.380 nan 0.000 0.478 5 P HA -0.144 nan 4.420 nan 0.000 0.218 5 P C 1.536 178.873 177.300 0.061 0.000 1.148 5 P CA 1.054 64.169 63.100 0.026 0.000 0.822 5 P CB 0.447 32.115 31.700 -0.053 0.000 0.784 6 I N -0.358 120.234 120.570 0.036 0.000 2.335 6 I HA -0.210 3.955 4.170 -0.008 0.000 0.251 6 I C 2.203 178.358 176.117 0.064 0.000 1.129 6 I CA 1.547 62.897 61.300 0.084 0.000 1.402 6 I CB -0.885 37.147 38.000 0.054 0.000 1.069 6 I HN 0.023 nan 8.210 nan 0.000 0.424 7 T N -0.631 113.892 114.554 -0.052 0.000 2.684 7 T HA -0.236 4.109 4.350 -0.008 0.000 0.267 7 T C 1.624 176.145 174.700 -0.300 0.000 1.036 7 T CA 1.813 63.773 62.100 -0.234 0.000 1.148 7 T CB -0.358 68.260 68.868 -0.417 0.000 0.863 7 T HN 0.494 nan 8.240 nan 0.000 0.436 8 H N -1.611 117.506 119.070 0.078 0.000 2.547 8 H HA 0.237 4.787 4.556 -0.008 0.000 0.272 8 H C 1.752 177.169 175.328 0.149 0.000 0.971 8 H CA 0.321 56.423 56.048 0.090 0.000 1.245 8 H CB -0.012 29.791 29.762 0.068 0.000 1.440 8 H HN 0.308 nan 8.280 nan 0.000 0.540 9 Y N 1.245 121.617 120.300 0.121 0.000 2.109 9 Y HA -0.177 4.368 4.550 -0.008 0.000 0.285 9 Y C 1.922 177.881 175.900 0.099 0.000 1.131 9 Y CA 1.307 59.457 58.100 0.083 0.000 1.121 9 Y CB -0.129 38.356 38.460 0.042 0.000 0.987 9 Y HN 0.058 nan 8.280 nan 0.000 0.495 10 I N 0.063 120.770 120.570 0.227 0.000 2.439 10 I HA -0.135 4.029 4.170 -0.008 0.000 0.251 10 I C 2.583 178.862 176.117 0.270 0.000 1.139 10 I CA 1.365 62.798 61.300 0.221 0.000 1.438 10 I CB -2.065 36.084 38.000 0.248 0.000 1.085 10 I HN 0.399 nan 8.210 nan 0.000 0.427 11 G N 0.588 109.517 108.800 0.215 0.000 2.421 11 G HA2 -0.218 3.736 3.960 -0.008 0.000 0.216 11 G HA3 -0.218 3.736 3.960 -0.008 0.000 0.216 11 G C 1.804 176.932 174.900 0.380 0.000 1.171 11 G CA 0.967 46.241 45.100 0.291 0.000 0.775 11 G HN 0.387 nan 8.290 nan 0.000 0.543 12 S N -0.063 115.780 115.700 0.238 0.000 2.382 12 S HA -0.046 4.419 4.470 -0.008 0.000 0.228 12 S C 1.845 176.502 174.600 0.095 0.000 1.027 12 S CA 0.787 59.078 58.200 0.151 0.000 0.991 12 S CB -0.361 62.878 63.200 0.064 0.000 0.823 12 S HN 0.446 nan 8.310 nan 0.000 0.469 13 F N 1.798 121.677 119.950 -0.119 0.000 2.075 13 F HA -0.161 4.361 4.527 -0.008 0.000 0.297 13 F C 1.917 177.668 175.800 -0.082 0.000 1.113 13 F CA 1.060 58.938 58.000 -0.204 0.000 1.218 13 F CB -0.005 38.913 39.000 -0.137 0.000 0.984 13 F HN 0.127 nan 8.300 nan 0.000 0.472 14 I N 0.504 121.184 120.570 0.183 0.000 2.315 14 I HA -0.250 3.915 4.170 -0.008 0.000 0.248 14 I C 1.971 178.037 176.117 -0.084 0.000 1.117 14 I CA 1.567 62.935 61.300 0.113 0.000 1.404 14 I CB -1.552 36.568 38.000 0.199 0.000 1.071 14 I HN 0.237 nan 8.210 nan 0.000 0.419 15 D N 0.886 121.285 120.400 -0.001 0.000 2.144 15 D HA -0.255 4.380 4.640 -0.008 0.000 0.199 15 D C 2.083 178.304 176.300 -0.132 0.000 0.984 15 D CA 1.171 55.119 54.000 -0.087 0.000 0.834 15 D CB 0.182 41.088 40.800 0.175 0.000 0.955 15 D HN 0.155 nan 8.370 nan 0.000 0.465 16 E N -0.927 119.183 120.200 -0.151 0.000 2.150 16 E HA -0.087 4.258 4.350 -0.008 0.000 0.193 16 E C 1.703 178.137 176.600 -0.276 0.000 0.985 16 E CA 0.829 57.101 56.400 -0.213 0.000 0.814 16 E CB -0.432 29.107 29.700 -0.268 0.000 0.752 16 E HN 0.435 nan 8.360 nan 0.000 0.466 17 F N 0.082 119.875 119.950 -0.262 0.000 2.134 17 F HA -0.140 4.382 4.527 -0.008 0.000 0.299 17 F C 2.320 177.965 175.800 -0.257 0.000 1.097 17 F CA 0.875 58.706 58.000 -0.282 0.000 1.264 17 F CB -0.354 38.433 39.000 -0.355 0.000 1.001 17 F HN 0.131 nan 8.300 nan 0.000 0.479 18 A N 0.126 122.846 122.820 -0.167 0.000 1.933 18 A HA -0.146 4.169 4.320 -0.008 0.000 0.218 18 A C 2.155 179.672 177.584 -0.112 0.000 1.175 18 A CA 1.304 53.199 52.037 -0.237 0.000 0.628 18 A CB -1.017 17.631 19.000 -0.587 0.000 0.814 18 A HN 0.411 nan 8.150 nan 0.000 0.444 19 L N -0.601 120.566 121.223 -0.094 0.000 2.201 19 L HA -0.105 4.230 4.340 -0.008 0.000 0.212 19 L C 2.552 179.395 176.870 -0.045 0.000 1.105 19 L CA 1.165 55.977 54.840 -0.048 0.000 0.775 19 L CB -0.224 41.814 42.059 -0.035 0.000 0.913 19 L HN 0.299 nan 8.230 nan 0.000 0.440 20 S N -0.716 114.951 115.700 -0.054 0.000 2.481 20 S HA 0.027 4.492 4.470 -0.008 0.000 0.231 20 S C 1.446 176.030 174.600 -0.027 0.000 0.996 20 S CA 0.987 59.164 58.200 -0.038 0.000 0.942 20 S CB 0.220 63.407 63.200 -0.022 0.000 0.768 20 S HN 0.694 nan 8.310 nan 0.000 0.520 21 G N 0.464 109.245 108.800 -0.032 0.000 2.205 21 G HA2 -0.142 3.813 3.960 -0.008 0.000 0.180 21 G HA3 -0.142 3.813 3.960 -0.008 0.000 0.180 21 G C 0.013 174.888 174.900 -0.042 0.000 1.004 21 G CA -0.611 44.469 45.100 -0.033 0.000 0.670 21 G HN 0.344 nan 8.290 nan 0.000 0.496 22 I N 2.799 123.341 120.570 -0.048 0.000 2.533 22 I HA 0.241 4.405 4.170 -0.008 0.000 0.284 22 I C 1.718 177.787 176.117 -0.080 0.000 1.109 22 I CA 1.557 62.814 61.300 -0.073 0.000 1.412 22 I CB 0.831 38.773 38.000 -0.096 0.000 1.396 22 I HN 0.309 nan 8.210 nan 0.000 0.543 23 T N 0.353 114.871 114.554 -0.061 0.000 2.975 23 T HA 0.249 4.594 4.350 -0.008 0.000 0.257 23 T C 0.336 175.026 174.700 -0.016 0.000 1.003 23 T CA -0.228 61.849 62.100 -0.037 0.000 0.932 23 T CB 0.647 69.505 68.868 -0.015 0.000 1.087 23 T HN 0.480 nan 8.240 nan 0.000 0.512 24 D N 1.207 121.598 120.400 -0.016 0.000 2.787 24 D HA 0.604 5.239 4.640 -0.008 0.000 0.246 24 D C -1.351 174.957 176.300 0.013 0.000 1.150 24 D CA -0.433 53.601 54.000 0.058 0.000 0.864 24 D CB 2.410 43.279 40.800 0.115 0.000 1.481 24 D HN 0.350 nan 8.370 nan 0.000 0.509 25 A N 2.036 124.884 122.820 0.047 0.000 2.335 25 A HA 0.517 4.832 4.320 -0.008 0.000 0.304 25 A C -0.452 177.206 177.584 0.124 0.000 1.118 25 A CA -0.642 51.402 52.037 0.012 0.000 0.757 25 A CB 1.135 20.107 19.000 -0.047 0.000 1.188 25 A HN 0.323 nan 8.150 nan 0.000 0.460 26 V N 3.235 123.216 119.914 0.113 0.000 2.432 26 V HA 0.402 4.517 4.120 -0.008 0.000 0.271 26 V C -0.092 176.062 176.094 0.100 0.000 1.046 26 V CA -0.207 62.196 62.300 0.171 0.000 0.945 26 V CB 1.001 32.929 31.823 0.175 0.000 0.992 26 V HN 0.607 nan 8.190 nan 0.000 0.471 27 V N 4.363 124.343 119.914 0.109 0.000 2.588 27 V HA 0.454 4.569 4.120 -0.008 0.000 0.304 27 V C -0.302 175.855 176.094 0.106 0.000 1.042 27 V CA -0.459 61.901 62.300 0.100 0.000 0.877 27 V CB 2.044 33.908 31.823 0.069 0.000 0.996 27 V HN 0.978 nan 8.190 nan 0.000 0.425 28 C N 6.379 125.761 119.300 0.136 0.000 2.417 28 C HA 0.625 5.080 4.460 -0.008 0.000 0.324 28 C C -2.190 172.847 174.990 0.078 0.000 1.240 28 C CA -1.291 57.795 59.018 0.113 0.000 1.632 28 C CB 1.493 29.326 27.740 0.156 0.000 2.241 28 C HN 0.687 nan 8.230 nan 0.000 0.499 29 P HA 0.494 nan 4.420 nan 0.000 0.272 29 P C -0.104 177.216 177.300 0.034 0.000 1.223 29 P CA 0.695 63.819 63.100 0.040 0.000 0.784 29 P CB 0.786 32.503 31.700 0.029 0.000 0.923 30 G N -0.930 107.889 108.800 0.033 0.000 2.340 30 G HA2 0.214 4.168 3.960 -0.008 0.000 0.298 30 G HA3 0.214 4.168 3.960 -0.008 0.000 0.298 30 G C 0.312 175.230 174.900 0.029 0.000 1.498 30 G CA 0.118 45.233 45.100 0.025 0.000 0.847 30 G HN 0.386 nan 8.290 nan 0.000 0.594 31 S N -0.790 114.924 115.700 0.023 0.000 2.362 31 S HA -0.070 4.395 4.470 -0.008 0.000 0.221 31 S C 2.319 176.937 174.600 0.030 0.000 1.032 31 S CA 1.902 60.116 58.200 0.024 0.000 0.973 31 S CB -0.169 63.041 63.200 0.017 0.000 0.849 31 S HN 0.603 nan 8.310 nan 0.000 0.465 32 R N 1.727 122.245 120.500 0.030 0.000 2.148 32 R HA 0.087 4.422 4.340 -0.008 0.000 0.227 32 R C 2.019 178.351 176.300 0.054 0.000 1.103 32 R CA 1.793 57.914 56.100 0.036 0.000 0.983 32 R CB -0.672 29.645 30.300 0.028 0.000 0.874 32 R HN 0.511 nan 8.270 nan 0.000 0.451 33 S N -1.565 114.171 115.700 0.060 0.000 2.650 33 S HA 0.015 4.480 4.470 -0.008 0.000 0.219 33 S C 1.352 176.001 174.600 0.082 0.000 0.960 33 S CA 0.429 58.678 58.200 0.083 0.000 0.925 33 S CB -0.195 63.060 63.200 0.091 0.000 0.775 33 S HN 0.222 nan 8.310 nan 0.000 0.525 34 T N 4.066 118.659 114.554 0.065 0.000 2.594 34 T HA -0.123 4.222 4.350 -0.008 0.000 0.266 34 T C -0.559 174.186 174.700 0.074 0.000 1.070 34 T CA 2.206 64.342 62.100 0.060 0.000 1.166 34 T CB -1.515 67.380 68.868 0.046 0.000 0.862 34 T HN 0.489 nan 8.240 nan 0.000 0.436 35 P HA 0.031 nan 4.420 nan 0.000 0.218 35 P C 1.660 179.041 177.300 0.135 0.000 1.149 35 P CA 0.962 64.122 63.100 0.099 0.000 0.817 35 P CB -0.261 31.503 31.700 0.108 0.000 0.785 36 L N -0.474 120.837 121.223 0.147 0.000 2.027 36 L HA -0.132 4.203 4.340 -0.008 0.000 0.206 36 L C 2.783 179.729 176.870 0.126 0.000 1.074 36 L CA 1.811 56.750 54.840 0.165 0.000 0.745 36 L CB -1.257 40.903 42.059 0.169 0.000 0.898 36 L HN -0.063 nan 8.230 nan 0.000 0.433 37 A N -0.516 122.366 122.820 0.103 0.000 1.873 37 A HA -0.121 4.194 4.320 -0.008 0.000 0.215 37 A C 2.334 179.969 177.584 0.085 0.000 1.186 37 A CA 1.551 53.637 52.037 0.083 0.000 0.616 37 A CB -0.861 18.181 19.000 0.070 0.000 0.823 37 A HN 0.151 nan 8.150 nan 0.000 0.442 38 V N 0.237 120.203 119.914 0.086 0.000 2.287 38 V HA -0.277 3.837 4.120 -0.008 0.000 0.248 38 V C 2.590 178.761 176.094 0.128 0.000 1.053 38 V CA 2.125 64.476 62.300 0.085 0.000 1.027 38 V CB -0.768 31.093 31.823 0.063 0.000 0.646 38 V HN 0.561 nan 8.190 nan 0.000 0.447 39 L N -1.223 120.100 121.223 0.165 0.000 2.093 39 L HA -0.182 4.153 4.340 -0.008 0.000 0.208 39 L C 2.610 179.676 176.870 0.328 0.000 1.085 39 L CA 1.228 56.243 54.840 0.291 0.000 0.755 39 L CB -0.663 41.587 42.059 0.318 0.000 0.904 39 L HN 0.387 nan 8.230 nan 0.000 0.435 40 C N -0.269 119.142 119.300 0.186 0.000 2.429 40 C HA -0.164 4.291 4.460 -0.008 0.000 0.277 40 C C 3.158 178.213 174.990 0.108 0.000 1.262 40 C CA 0.804 59.885 59.018 0.105 0.000 1.733 40 C CB -0.950 26.813 27.740 0.039 0.000 2.010 40 C HN 0.626 nan 8.230 nan 0.000 0.483 41 A N 0.405 123.286 122.820 0.102 0.000 1.883 41 A HA -0.005 4.310 4.320 -0.008 0.000 0.217 41 A C 2.339 179.993 177.584 0.118 0.000 1.186 41 A CA 2.251 54.335 52.037 0.078 0.000 0.624 41 A CB -0.940 18.097 19.000 0.062 0.000 0.822 41 A HN 0.602 nan 8.150 nan 0.000 0.444 42 A N -1.689 121.244 122.820 0.189 0.000 2.014 42 A HA -0.041 4.274 4.320 -0.008 0.000 0.218 42 A C 1.359 179.117 177.584 0.291 0.000 1.163 42 A CA 0.575 52.750 52.037 0.229 0.000 0.652 42 A CB -0.635 18.507 19.000 0.237 0.000 0.808 42 A HN 0.628 nan 8.150 nan 0.000 0.449 43 H N 0.590 119.772 119.070 0.185 0.000 2.929 43 H HA 0.121 4.672 4.556 -0.008 0.000 0.317 43 H C -1.776 173.496 175.328 -0.093 0.000 1.031 43 H CA -1.375 54.585 56.048 -0.148 0.000 1.466 43 H CB 1.185 30.672 29.762 -0.458 0.000 1.482 43 H HN 0.079 nan 8.280 nan 0.000 0.561 44 P HA -0.070 nan 4.420 nan 0.000 0.223 44 P C 0.492 177.832 177.300 0.067 0.000 1.151 44 P CA 0.949 64.030 63.100 -0.031 0.000 0.787 44 P CB 0.489 32.125 31.700 -0.107 0.000 0.788 45 D N -1.079 119.464 120.400 0.237 0.000 2.349 45 D HA 0.136 4.771 4.640 -0.008 0.000 0.214 45 D C 0.622 176.943 176.300 0.034 0.000 1.063 45 D CA 0.327 54.399 54.000 0.119 0.000 0.847 45 D CB 0.561 41.432 40.800 0.119 0.000 0.933 45 D HN 0.261 nan 8.370 nan 0.000 0.513 46 I N 1.113 121.703 120.570 0.033 0.000 2.382 46 I HA 0.112 4.277 4.170 -0.008 0.000 0.286 46 I C -0.069 176.024 176.117 -0.039 0.000 1.002 46 I CA -0.409 60.867 61.300 -0.040 0.000 1.135 46 I CB 1.820 39.759 38.000 -0.103 0.000 1.288 46 I HN -0.352 nan 8.210 nan 0.000 0.448 47 S N 5.199 120.861 115.700 -0.064 0.000 2.523 47 S HA 0.359 4.824 4.470 -0.008 0.000 0.275 47 S C -0.045 174.379 174.600 -0.294 0.000 1.281 47 S CA -0.595 57.505 58.200 -0.165 0.000 1.050 47 S CB 1.453 64.555 63.200 -0.163 0.000 0.937 47 S HN 0.307 nan 8.310 nan 0.000 0.492 48 V N 5.248 124.984 119.914 -0.298 0.000 2.407 48 V HA 0.271 4.386 4.120 -0.008 0.000 0.278 48 V C -0.191 175.674 176.094 -0.381 0.000 1.037 48 V CA -0.527 61.633 62.300 -0.235 0.000 0.900 48 V CB 0.741 32.512 31.823 -0.087 0.000 0.983 48 V HN 0.804 nan 8.190 nan 0.000 0.459 49 H N 3.863 122.964 119.070 0.051 0.000 2.587 49 H HA 0.403 4.954 4.556 -0.008 0.000 0.325 49 H C -0.752 174.564 175.328 -0.019 0.000 1.012 49 H CA -0.512 55.556 56.048 0.033 0.000 1.213 49 H CB 1.899 31.753 29.762 0.152 0.000 1.431 49 H HN 0.358 nan 8.280 nan 0.000 0.492 50 V N 4.864 124.798 119.914 0.035 0.000 2.385 50 V HA 0.104 4.219 4.120 -0.008 0.000 0.269 50 V C 0.243 176.314 176.094 -0.038 0.000 1.043 50 V CA -0.422 61.883 62.300 0.009 0.000 0.906 50 V CB 1.166 32.993 31.823 0.007 0.000 0.995 50 V HN 0.659 nan 8.190 nan 0.000 0.467 51 Q N 3.799 123.584 119.800 -0.024 0.000 2.333 51 Q HA 0.452 4.787 4.340 -0.008 0.000 0.267 51 Q C 0.273 176.279 176.000 0.011 0.000 1.012 51 Q CA -0.750 55.024 55.803 -0.049 0.000 0.824 51 Q CB 2.623 31.319 28.738 -0.071 0.000 1.290 51 Q HN 0.504 nan 8.270 nan 0.000 0.449 52 I N 0.202 120.774 120.570 0.004 0.000 2.277 52 I HA -0.099 4.066 4.170 -0.008 0.000 0.243 52 I C 0.916 177.053 176.117 0.033 0.000 1.094 52 I CA 1.034 62.346 61.300 0.021 0.000 1.393 52 I CB -0.318 37.692 38.000 0.017 0.000 1.078 52 I HN 0.578 nan 8.210 nan 0.000 0.417 53 D N 1.647 122.068 120.400 0.034 0.000 2.365 53 D HA 0.052 4.686 4.640 -0.008 0.000 0.237 53 D C 0.986 177.348 176.300 0.103 0.000 1.190 53 D CA 0.093 54.123 54.000 0.050 0.000 0.867 53 D CB 1.369 42.190 40.800 0.035 0.000 1.050 53 D HN 0.030 nan 8.370 nan 0.000 0.491 54 E N 2.560 122.827 120.200 0.112 0.000 2.118 54 E HA -0.188 4.156 4.350 -0.008 0.000 0.195 54 E C 1.829 178.631 176.600 0.336 0.000 0.992 54 E CA 0.861 57.395 56.400 0.223 0.000 0.804 54 E CB 0.082 29.764 29.700 -0.030 0.000 0.741 54 E HN 0.421 nan 8.360 nan 0.000 0.458 55 R N 0.306 120.947 120.500 0.235 0.000 2.081 55 R HA -0.104 4.231 4.340 -0.008 0.000 0.235 55 R C 2.008 178.524 176.300 0.361 0.000 1.131 55 R CA 1.719 58.000 56.100 0.301 0.000 0.960 55 R CB -0.184 30.268 30.300 0.252 0.000 0.856 55 R HN 0.127 nan 8.270 nan 0.000 0.436 56 S N 0.857 116.704 115.700 0.245 0.000 2.355 56 S HA -0.103 4.361 4.470 -0.008 0.000 0.222 56 S C 2.105 176.836 174.600 0.218 0.000 1.031 56 S CA 1.102 59.427 58.200 0.207 0.000 0.993 56 S CB -0.341 62.898 63.200 0.065 0.000 0.859 56 S HN 0.554 nan 8.310 nan 0.000 0.453 57 A N 1.769 124.697 122.820 0.180 0.000 1.896 57 A HA -0.129 4.186 4.320 -0.008 0.000 0.220 57 A C 2.350 179.998 177.584 0.106 0.000 1.206 57 A CA 2.125 54.263 52.037 0.168 0.000 0.647 57 A CB -1.654 17.488 19.000 0.235 0.000 0.828 57 A HN 0.541 nan 8.150 nan 0.000 0.455 58 G N -1.759 107.069 108.800 0.047 0.000 2.421 58 G HA2 -0.163 3.792 3.960 -0.008 0.000 0.216 58 G HA3 -0.163 3.792 3.960 -0.008 0.000 0.216 58 G C 1.391 176.147 174.900 -0.241 0.000 1.171 58 G CA 1.094 46.045 45.100 -0.249 0.000 0.775 58 G HN 0.468 nan 8.290 nan 0.000 0.543 59 F N -0.546 119.402 119.950 -0.003 0.000 2.325 59 F HA 0.154 4.676 4.527 -0.008 0.000 0.299 59 F C 2.154 177.932 175.800 -0.037 0.000 1.090 59 F CA 0.502 58.486 58.000 -0.026 0.000 1.392 59 F CB -0.238 38.752 39.000 -0.015 0.000 1.053 59 F HN 0.144 nan 8.300 nan 0.000 0.521 60 F N 0.957 120.922 119.950 0.025 0.000 2.075 60 F HA -0.170 4.351 4.527 -0.009 0.000 0.297 60 F C 2.395 178.121 175.800 -0.124 0.000 1.113 60 F CA 1.350 59.308 58.000 -0.070 0.000 1.218 60 F CB -0.819 38.137 39.000 -0.073 0.000 0.984 60 F HN -0.094 nan 8.300 nan 0.000 0.472 61 A N 0.461 123.218 122.820 -0.106 0.000 1.917 61 A HA -0.227 4.088 4.320 -0.008 0.000 0.219 61 A C 2.158 179.582 177.584 -0.266 0.000 1.182 61 A CA 1.907 53.801 52.037 -0.238 0.000 0.633 61 A CB -1.400 17.469 19.000 -0.218 0.000 0.819 61 A HN 0.554 nan 8.150 nan 0.000 0.448 62 L N -0.032 121.062 121.223 -0.215 0.000 2.012 62 L HA -0.090 4.245 4.340 -0.008 0.000 0.210 62 L C 2.412 179.196 176.870 -0.142 0.000 1.073 62 L CA 2.580 57.323 54.840 -0.162 0.000 0.748 62 L CB -0.981 41.014 42.059 -0.106 0.000 0.891 62 L HN 0.297 nan 8.230 nan 0.000 0.431 63 G N -0.767 107.927 108.800 -0.177 0.000 2.402 63 G HA2 -0.230 3.725 3.960 -0.008 0.000 0.216 63 G HA3 -0.230 3.725 3.960 -0.008 0.000 0.216 63 G C 1.681 176.394 174.900 -0.311 0.000 1.162 63 G CA 0.828 45.801 45.100 -0.211 0.000 0.777 63 G HN 0.416 nan 8.290 nan 0.000 0.539 64 L N 0.504 121.455 121.223 -0.453 0.000 2.012 64 L HA -0.100 4.235 4.340 -0.008 0.000 0.210 64 L C 3.237 179.947 176.870 -0.267 0.000 1.073 64 L CA 1.519 56.100 54.840 -0.432 0.000 0.748 64 L CB -0.183 41.539 42.059 -0.561 0.000 0.891 64 L HN 0.321 nan 8.230 nan 0.000 0.431 65 A N -1.015 121.667 122.820 -0.229 0.000 2.016 65 A HA -0.197 4.117 4.320 -0.008 0.000 0.217 65 A C 2.302 179.800 177.584 -0.142 0.000 1.162 65 A CA 1.343 53.279 52.037 -0.168 0.000 0.662 65 A CB -0.311 18.593 19.000 -0.159 0.000 0.812 65 A HN 0.352 nan 8.150 nan 0.000 0.450 66 K N -0.117 120.204 120.400 -0.132 0.000 2.057 66 K HA -0.061 4.254 4.320 -0.008 0.000 0.206 66 K C 2.138 178.696 176.600 -0.070 0.000 1.050 66 K CA 1.076 57.311 56.287 -0.087 0.000 0.935 66 K CB -0.265 32.234 32.500 -0.001 0.000 0.715 66 K HN 0.375 nan 8.250 nan 0.000 0.439 67 A N 1.197 123.940 122.820 -0.129 0.000 1.933 67 A HA -0.142 4.173 4.320 -0.008 0.000 0.218 67 A C 1.701 179.265 177.584 -0.034 0.000 1.175 67 A CA 1.522 53.498 52.037 -0.103 0.000 0.628 67 A CB -0.147 18.737 19.000 -0.194 0.000 0.814 67 A HN 0.257 nan 8.150 nan 0.000 0.444 68 K N -1.554 118.801 120.400 -0.076 0.000 2.353 68 K HA 0.082 4.397 4.320 -0.008 0.000 0.195 68 K C -0.071 176.491 176.600 -0.064 0.000 1.031 68 K CA 0.111 56.363 56.287 -0.057 0.000 1.079 68 K CB 0.464 32.922 32.500 -0.070 0.000 0.857 68 K HN 0.290 nan 8.250 nan 0.000 0.535 69 Q N 0.414 120.157 119.800 -0.096 0.000 2.480 69 Q HA -0.212 4.123 4.340 -0.008 0.000 0.265 69 Q C -0.753 175.196 176.000 -0.086 0.000 1.072 69 Q CA 1.337 57.071 55.803 -0.115 0.000 1.018 69 Q CB -1.389 27.279 28.738 -0.116 0.000 1.433 69 Q HN 0.594 nan 8.270 nan 0.000 0.513 70 R N -1.633 118.817 120.500 -0.083 0.000 2.740 70 R HA 0.730 5.065 4.340 -0.008 0.000 0.273 70 R C -2.918 173.331 176.300 -0.086 0.000 0.998 70 R CA -1.989 54.067 56.100 -0.072 0.000 0.900 70 R CB 1.545 31.811 30.300 -0.056 0.000 1.223 70 R HN -0.260 nan 8.270 nan 0.000 0.466 71 P HA 0.033 nan 4.420 nan 0.000 0.269 71 P C -0.367 176.861 177.300 -0.119 0.000 1.215 71 P CA -0.416 62.625 63.100 -0.099 0.000 0.780 71 P CB 0.963 32.614 31.700 -0.081 0.000 0.898 72 V N -0.011 119.814 119.914 -0.148 0.000 3.001 72 V HA 0.529 4.644 4.120 -0.008 0.000 0.314 72 V C -0.484 175.484 176.094 -0.210 0.000 1.099 72 V CA -1.280 60.924 62.300 -0.160 0.000 0.989 72 V CB 1.626 33.363 31.823 -0.144 0.000 1.040 72 V HN 0.259 nan 8.190 nan 0.000 0.434 73 L N 2.806 123.888 121.223 -0.234 0.000 2.371 73 L HA 0.535 4.870 4.340 -0.008 0.000 0.272 73 L C -0.540 176.210 176.870 -0.199 0.000 1.124 73 L CA -0.362 54.303 54.840 -0.292 0.000 0.816 73 L CB 1.393 43.241 42.059 -0.352 0.000 1.129 73 L HN 0.659 nan 8.230 nan 0.000 0.448 74 L N 5.079 126.176 121.223 -0.210 0.000 2.404 74 L HA 0.602 4.937 4.340 -0.008 0.000 0.272 74 L C -0.957 175.866 176.870 -0.080 0.000 0.980 74 L CA 0.121 54.822 54.840 -0.231 0.000 0.836 74 L CB 1.340 43.116 42.059 -0.471 0.000 1.238 74 L HN 0.370 nan 8.230 nan 0.000 0.408 75 I N 5.212 125.828 120.570 0.076 0.000 2.533 75 I HA 0.608 4.773 4.170 -0.008 0.000 0.290 75 I C -0.564 175.752 176.117 0.331 0.000 1.056 75 I CA -0.581 60.839 61.300 0.199 0.000 1.057 75 I CB 1.845 39.909 38.000 0.106 0.000 1.240 75 I HN 0.844 nan 8.210 nan 0.000 0.423 76 C N 1.754 121.254 119.300 0.332 0.000 3.323 76 C HA 0.735 5.190 4.460 -0.008 0.000 0.324 76 C C 0.216 175.267 174.990 0.101 0.000 1.428 76 C CA -0.552 58.577 59.018 0.186 0.000 1.368 76 C CB 1.497 29.244 27.740 0.012 0.000 1.731 76 C HN 0.763 nan 8.230 nan 0.000 0.455 77 T N 0.743 115.320 114.554 0.038 0.000 2.771 77 T HA 0.583 4.928 4.350 -0.008 0.000 0.290 77 T C 0.591 175.291 174.700 -0.001 0.000 1.005 77 T CA 0.506 62.623 62.100 0.029 0.000 0.944 77 T CB 0.467 69.346 68.868 0.018 0.000 1.147 77 T HN 1.563 nan 8.240 nan 0.000 0.534 78 S N -0.065 115.635 115.700 -0.000 0.000 2.585 78 S HA 0.624 5.089 4.470 -0.008 0.000 0.273 78 S C 0.698 175.269 174.600 -0.047 0.000 1.339 78 S CA 0.054 58.242 58.200 -0.021 0.000 1.028 78 S CB 0.301 63.493 63.200 -0.014 0.000 0.906 78 S HN 1.565 nan 8.310 nan 0.000 0.528 79 G N 1.390 110.150 108.800 -0.067 0.000 2.378 79 G HA2 -0.142 3.813 3.960 -0.008 0.000 0.198 79 G HA3 -0.142 3.813 3.960 -0.008 0.000 0.198 79 G C 0.580 175.418 174.900 -0.103 0.000 1.223 79 G CA 0.483 45.538 45.100 -0.075 0.000 1.088 79 G HN 1.735 nan 8.290 nan 0.000 0.530 80 T N -0.547 113.952 114.554 -0.092 0.000 2.977 80 T HA 0.236 4.580 4.350 -0.008 0.000 0.271 80 T C 2.536 177.153 174.700 -0.139 0.000 1.105 80 T CA 2.448 64.488 62.100 -0.101 0.000 1.116 80 T CB -0.471 68.357 68.868 -0.068 0.000 0.878 80 T HN 2.054 nan 8.240 nan 0.000 0.509 81 A N 2.217 124.942 122.820 -0.158 0.000 1.884 81 A HA 0.102 4.417 4.320 -0.008 0.000 0.219 81 A C 2.869 180.173 177.584 -0.466 0.000 1.197 81 A CA 2.266 54.155 52.037 -0.248 0.000 0.637 81 A CB -1.532 17.349 19.000 -0.199 0.000 0.827 81 A HN 0.808 nan 8.150 nan 0.000 0.450 82 A N -0.601 121.988 122.820 -0.385 0.000 1.969 82 A HA 0.233 4.548 4.320 -0.008 0.000 0.218 82 A C 2.434 179.892 177.584 -0.210 0.000 1.169 82 A CA 1.859 53.657 52.037 -0.399 0.000 0.635 82 A CB -0.895 18.005 19.000 -0.168 0.000 0.810 82 A HN 1.161 nan 8.150 nan 0.000 0.445 83 A N 0.110 122.820 122.820 -0.184 0.000 2.070 83 A HA -0.154 4.161 4.320 -0.008 0.000 0.220 83 A C 1.804 179.410 177.584 0.036 0.000 1.159 83 A CA 1.359 53.334 52.037 -0.104 0.000 0.656 83 A CB -0.598 18.327 19.000 -0.126 0.000 0.800 83 A HN 0.601 nan 8.150 nan 0.000 0.453 84 N N -0.897 117.777 118.700 -0.042 0.000 2.512 84 N HA -0.050 4.685 4.740 -0.008 0.000 0.183 84 N C 0.520 176.171 175.510 0.233 0.000 1.073 84 N CA 0.706 53.792 53.050 0.060 0.000 0.911 84 N CB -0.163 38.323 38.487 -0.002 0.000 0.964 84 N HN 0.434 nan 8.380 nan 0.000 0.447 85 F N -0.104 119.945 119.950 0.165 0.000 2.661 85 F HA 0.016 4.538 4.527 -0.009 0.000 0.298 85 F C 1.929 177.776 175.800 0.077 0.000 1.137 85 F CA -0.510 57.533 58.000 0.070 0.000 1.454 85 F CB -0.888 38.132 39.000 0.033 0.000 1.103 85 F HN 0.025 nan 8.300 nan 0.000 0.577 86 Y N 1.805 122.272 120.300 0.278 0.000 2.128 86 Y HA -0.154 4.391 4.550 -0.008 0.000 0.284 86 Y C -0.481 175.401 175.900 -0.030 0.000 1.154 86 Y CA 1.271 59.482 58.100 0.185 0.000 1.149 86 Y CB -1.898 36.685 38.460 0.205 0.000 0.976 86 Y HN -0.004 nan 8.280 nan 0.000 0.505 87 P HA -0.151 nan 4.420 nan 0.000 0.216 87 P C 1.448 178.566 177.300 -0.303 0.000 1.153 87 P CA 2.439 65.522 63.100 -0.029 0.000 0.848 87 P CB -0.281 31.584 31.700 0.275 0.000 0.787 88 A N -0.594 121.845 122.820 -0.636 0.000 1.898 88 A HA -0.119 4.196 4.320 -0.008 0.000 0.216 88 A C 2.354 179.626 177.584 -0.520 0.000 1.181 88 A CA 1.567 53.006 52.037 -0.996 0.000 0.620 88 A CB -1.654 16.741 19.000 -1.008 0.000 0.819 88 A HN 0.023 nan 8.150 nan 0.000 0.442 89 V N -0.345 119.316 119.914 -0.422 0.000 2.343 89 V HA -0.232 3.883 4.120 -0.008 0.000 0.247 89 V C 2.584 178.501 176.094 -0.294 0.000 1.051 89 V CA 1.996 64.064 62.300 -0.387 0.000 1.036 89 V CB -0.721 30.759 31.823 -0.573 0.000 0.654 89 V HN 0.371 nan 8.190 nan 0.000 0.451 90 V N 0.098 119.749 119.914 -0.437 0.000 2.295 90 V HA -0.274 3.841 4.120 -0.008 0.000 0.246 90 V C 2.571 178.622 176.094 -0.073 0.000 1.049 90 V CA 2.349 64.353 62.300 -0.493 0.000 1.024 90 V CB -0.601 30.759 31.823 -0.773 0.000 0.648 90 V HN 0.647 nan 8.190 nan 0.000 0.447 91 E N 0.854 121.011 120.200 -0.072 0.000 2.077 91 E HA -0.168 4.177 4.350 -0.008 0.000 0.193 91 E C 2.090 178.716 176.600 0.044 0.000 0.989 91 E CA 1.688 58.124 56.400 0.061 0.000 0.800 91 E CB -0.509 29.255 29.700 0.108 0.000 0.746 91 E HN 0.501 nan 8.360 nan 0.000 0.452 92 A N -0.296 122.488 122.820 -0.059 0.000 1.933 92 A HA -0.220 4.095 4.320 -0.008 0.000 0.218 92 A C 2.160 179.732 177.584 -0.019 0.000 1.175 92 A CA 1.958 53.961 52.037 -0.056 0.000 0.628 92 A CB -1.034 17.890 19.000 -0.126 0.000 0.814 92 A HN 0.589 nan 8.150 nan 0.000 0.444 93 H N -2.117 116.891 119.070 -0.104 0.000 2.321 93 H HA -0.170 4.381 4.556 -0.008 0.000 0.300 93 H C 1.727 176.933 175.328 -0.203 0.000 1.087 93 H CA 2.333 58.290 56.048 -0.151 0.000 1.319 93 H CB -0.283 29.382 29.762 -0.161 0.000 1.379 93 H HN 0.518 nan 8.280 nan 0.000 0.501 94 Y N -0.473 119.859 120.300 0.054 0.000 2.286 94 Y HA 0.005 4.550 4.550 -0.008 0.000 0.293 94 Y C 2.888 178.768 175.900 -0.032 0.000 1.124 94 Y CA 1.200 59.299 58.100 -0.001 0.000 1.178 94 Y CB -0.172 38.342 38.460 0.090 0.000 1.010 94 Y HN 0.191 nan 8.280 nan 0.000 0.536 95 S N -0.515 115.254 115.700 0.115 0.000 2.522 95 S HA -0.002 4.463 4.470 -0.008 0.000 0.227 95 S C 0.365 174.980 174.600 0.025 0.000 0.986 95 S CA 0.206 58.453 58.200 0.079 0.000 0.929 95 S CB -0.207 63.048 63.200 0.092 0.000 0.769 95 S HN 0.337 nan 8.310 nan 0.000 0.529 96 R N 0.105 120.580 120.500 -0.042 0.000 3.246 96 R HA -0.107 4.228 4.340 -0.008 0.000 0.260 96 R C -1.446 174.821 176.300 -0.055 0.000 1.034 96 R CA -0.016 56.044 56.100 -0.066 0.000 0.691 96 R CB -2.289 27.984 30.300 -0.045 0.000 1.186 96 R HN 0.125 nan 8.270 nan 0.000 0.416 97 V N 1.746 121.624 119.914 -0.059 0.000 2.448 97 V HA 0.400 4.515 4.120 -0.008 0.000 0.295 97 V C -1.666 174.378 176.094 -0.082 0.000 1.025 97 V CA -1.828 60.427 62.300 -0.075 0.000 0.859 97 V CB 2.045 33.828 31.823 -0.068 0.000 0.988 97 V HN 0.083 nan 8.190 nan 0.000 0.431 98 P HA 0.434 nan 4.420 nan 0.000 0.282 98 P C -0.938 176.301 177.300 -0.102 0.000 1.274 98 P CA 0.105 63.159 63.100 -0.077 0.000 0.770 98 P CB 0.923 32.581 31.700 -0.070 0.000 0.867 99 I N 4.257 124.766 120.570 -0.101 0.000 2.619 99 I HA 0.406 4.571 4.170 -0.008 0.000 0.292 99 I C 0.125 176.175 176.117 -0.112 0.000 1.100 99 I CA -1.102 60.112 61.300 -0.143 0.000 1.043 99 I CB 2.635 40.515 38.000 -0.201 0.000 1.239 99 I HN 0.129 nan 8.210 nan 0.000 0.420 100 I N 5.976 126.457 120.570 -0.149 0.000 2.330 100 I HA 0.294 4.459 4.170 -0.008 0.000 0.286 100 I C -0.411 175.626 176.117 -0.134 0.000 1.025 100 I CA -0.753 60.472 61.300 -0.124 0.000 1.197 100 I CB 1.456 39.311 38.000 -0.242 0.000 1.358 100 I HN 0.158 nan 8.210 nan 0.000 0.467 101 V N 7.718 127.624 119.914 -0.012 0.000 2.383 101 V HA 0.381 4.496 4.120 -0.008 0.000 0.275 101 V C 0.127 176.371 176.094 0.249 0.000 1.036 101 V CA -0.408 61.916 62.300 0.039 0.000 0.889 101 V CB 1.257 33.080 31.823 0.001 0.000 0.985 101 V HN 0.481 nan 8.190 nan 0.000 0.459 102 L N 5.325 126.677 121.223 0.214 0.000 2.333 102 L HA 0.674 5.009 4.340 -0.008 0.000 0.280 102 L C 0.116 177.196 176.870 0.349 0.000 1.004 102 L CA -0.394 54.624 54.840 0.298 0.000 0.820 102 L CB 2.152 44.334 42.059 0.204 0.000 1.247 102 L HN 0.738 nan 8.230 nan 0.000 0.416 103 T N -0.213 114.573 114.554 0.386 0.000 2.812 103 T HA 0.735 5.080 4.350 -0.008 0.000 0.282 103 T C -0.055 174.769 174.700 0.206 0.000 0.990 103 T CA -0.714 61.573 62.100 0.311 0.000 0.960 103 T CB 1.855 70.949 68.868 0.376 0.000 0.948 103 T HN 0.623 nan 8.240 nan 0.000 0.438 104 A N 2.841 125.750 122.820 0.149 0.000 2.407 104 A HA 0.593 4.907 4.320 -0.008 0.000 0.248 104 A C 0.079 177.700 177.584 0.061 0.000 1.082 104 A CA -0.288 51.811 52.037 0.105 0.000 0.785 104 A CB 0.187 19.241 19.000 0.091 0.000 1.020 104 A HN 0.920 nan 8.150 nan 0.000 0.489 105 D N -0.282 120.142 120.400 0.040 0.000 2.552 105 D HA 0.549 5.184 4.640 -0.008 0.000 0.239 105 D C -0.322 175.981 176.300 0.006 0.000 1.139 105 D CA -0.610 53.391 54.000 0.002 0.000 0.914 105 D CB 1.322 42.099 40.800 -0.038 0.000 1.461 105 D HN 0.366 nan 8.370 nan 0.000 0.462 106 R N 1.118 121.614 120.500 -0.007 0.000 2.738 106 R HA 0.371 4.706 4.340 -0.008 0.000 0.268 106 R C -1.825 174.484 176.300 0.015 0.000 1.062 106 R CA -0.942 55.162 56.100 0.006 0.000 1.158 106 R CB 0.003 30.304 30.300 0.000 0.000 1.046 106 R HN 0.308 nan 8.270 nan 0.000 0.493 107 P HA 0.075 nan 4.420 nan 0.000 0.274 107 P C -0.105 177.273 177.300 0.129 0.000 1.256 107 P CA -0.194 62.972 63.100 0.109 0.000 0.795 107 P CB 0.544 32.299 31.700 0.092 0.000 1.038 108 H N 0.580 119.664 119.070 0.024 0.000 2.325 108 H HA -0.203 4.348 4.556 -0.008 0.000 0.293 108 H C 1.797 177.140 175.328 0.024 0.000 1.106 108 H CA 2.435 58.504 56.048 0.035 0.000 1.247 108 H CB -0.574 29.205 29.762 0.027 0.000 1.359 108 H HN 0.561 nan 8.280 nan 0.000 0.488 109 E N 0.869 121.157 120.200 0.146 0.000 2.472 109 E HA -0.116 4.229 4.350 -0.008 0.000 0.200 109 E C 1.024 177.654 176.600 0.051 0.000 1.046 109 E CA 0.811 57.257 56.400 0.077 0.000 0.871 109 E CB -0.148 29.581 29.700 0.048 0.000 0.806 109 E HN 0.512 nan 8.360 nan 0.000 0.533 110 L N 0.468 121.720 121.223 0.048 0.000 3.122 110 L HA 0.291 4.626 4.340 -0.008 0.000 0.274 110 L C 0.532 177.412 176.870 0.017 0.000 1.222 110 L CA -0.279 54.577 54.840 0.026 0.000 1.028 110 L CB 0.443 42.514 42.059 0.020 0.000 1.386 110 L HN -0.143 nan 8.230 nan 0.000 0.578 111 R N 0.540 121.053 120.500 0.021 0.000 2.604 111 R HA 0.328 4.662 4.340 -0.008 0.000 0.287 111 R C -0.033 176.279 176.300 0.020 0.000 0.970 111 R CA -0.697 55.409 56.100 0.010 0.000 0.946 111 R CB 1.131 31.429 30.300 -0.004 0.000 1.127 111 R HN 0.003 nan 8.270 nan 0.000 0.473 112 E N -0.147 120.062 120.200 0.016 0.000 2.722 112 E HA -0.141 4.204 4.350 -0.008 0.000 0.265 112 E C 0.257 176.864 176.600 0.011 0.000 1.081 112 E CA 1.283 57.693 56.400 0.017 0.000 0.781 112 E CB -1.650 28.066 29.700 0.027 0.000 1.372 112 E HN 0.519 nan 8.360 nan 0.000 0.423 113 V N -4.602 115.317 119.914 0.009 0.000 3.111 113 V HA 0.619 4.734 4.120 -0.008 0.000 0.343 113 V C 1.094 177.189 176.094 0.003 0.000 1.417 113 V CA 0.536 62.840 62.300 0.007 0.000 1.142 113 V CB 0.534 32.364 31.823 0.011 0.000 1.114 113 V HN 0.489 nan 8.190 nan 0.000 0.520 114 G N 0.523 109.323 108.800 -0.001 0.000 2.160 114 G HA2 -0.054 3.900 3.960 -0.008 0.000 0.251 114 G HA3 -0.054 3.900 3.960 -0.008 0.000 0.251 114 G C 0.458 175.356 174.900 -0.004 0.000 1.008 114 G CA 0.410 45.508 45.100 -0.004 0.000 0.724 114 G HN 1.815 nan 8.290 nan 0.000 0.514 115 A N 0.519 123.337 122.820 -0.003 0.000 2.425 115 A HA 0.649 4.964 4.320 -0.008 0.000 0.242 115 A C -0.985 176.595 177.584 -0.007 0.000 1.077 115 A CA -0.521 51.514 52.037 -0.003 0.000 0.781 115 A CB 0.253 19.254 19.000 0.000 0.000 1.020 115 A HN 0.330 nan 8.150 nan 0.000 0.494 116 P HA 0.108 nan 4.420 nan 0.000 0.271 116 P C -0.162 177.131 177.300 -0.011 0.000 1.226 116 P CA 0.279 63.374 63.100 -0.008 0.000 0.765 116 P CB 1.066 32.763 31.700 -0.006 0.000 0.835 117 Q N 0.365 120.155 119.800 -0.016 0.000 2.431 117 Q HA -0.183 4.152 4.340 -0.008 0.000 0.230 117 Q C -0.759 175.225 176.000 -0.027 0.000 0.701 117 Q CA 0.711 56.501 55.803 -0.022 0.000 1.290 117 Q CB -1.531 27.196 28.738 -0.018 0.000 1.362 117 Q HN 0.693 nan 8.270 nan 0.000 0.762 118 A N 1.129 123.934 122.820 -0.026 0.000 2.260 118 A HA 0.719 5.034 4.320 -0.008 0.000 0.314 118 A C 0.025 177.586 177.584 -0.038 0.000 1.257 118 A CA -0.369 51.649 52.037 -0.031 0.000 0.871 118 A CB 0.373 19.360 19.000 -0.022 0.000 1.166 118 A HN 0.476 nan 8.150 nan 0.000 0.522 119 I N -0.253 120.284 120.570 -0.054 0.000 3.170 119 I HA 0.600 4.765 4.170 -0.008 0.000 0.312 119 I C -0.196 175.878 176.117 -0.072 0.000 1.085 119 I CA -1.224 60.040 61.300 -0.061 0.000 0.999 119 I CB 1.873 39.826 38.000 -0.078 0.000 1.233 119 I HN 0.476 nan 8.210 nan 0.000 0.467 120 N N 2.161 120.825 118.700 -0.061 0.000 2.405 120 N HA 0.131 4.866 4.740 -0.008 0.000 0.260 120 N C -0.119 175.323 175.510 -0.112 0.000 1.152 120 N CA 0.299 53.320 53.050 -0.048 0.000 0.948 120 N CB 0.722 39.214 38.487 0.008 0.000 1.111 120 N HN 0.695 nan 8.380 nan 0.000 0.485 121 Q N 1.474 121.161 119.800 -0.187 0.000 2.247 121 Q HA 0.106 4.441 4.340 -0.008 0.000 0.211 121 Q C -0.405 175.501 176.000 -0.157 0.000 0.861 121 Q CA -0.249 55.453 55.803 -0.169 0.000 0.949 121 Q CB 0.325 29.002 28.738 -0.101 0.000 1.115 121 Q HN 0.652 nan 8.270 nan 0.000 0.507 122 H N 0.271 119.323 119.070 -0.029 0.000 2.975 122 H HA -0.051 4.500 4.556 -0.008 0.000 0.303 122 H C 0.046 175.190 175.328 -0.307 0.000 1.023 122 H CA 0.417 56.406 56.048 -0.098 0.000 1.473 122 H CB 0.074 29.916 29.762 0.133 0.000 1.498 122 H HN 0.200 nan 8.280 nan 0.000 0.549 123 F N 0.294 119.507 119.950 -1.229 0.000 3.100 123 F HA -0.287 4.235 4.527 -0.009 0.000 0.283 123 F C 1.632 177.171 175.800 -0.436 0.000 0.900 123 F CA 0.100 57.567 58.000 -0.889 0.000 1.010 123 F CB -1.699 37.009 39.000 -0.486 0.000 1.029 123 F HN 0.428 nan 8.300 nan 0.000 0.637 124 L N -0.213 120.812 121.223 -0.331 0.000 2.054 124 L HA -0.251 4.084 4.340 -0.008 0.000 0.220 124 L C 1.934 178.483 176.870 -0.535 0.000 1.081 124 L CA 2.309 56.830 54.840 -0.531 0.000 0.780 124 L CB -0.631 40.897 42.059 -0.884 0.000 0.893 124 L HN 0.234 nan 8.230 nan 0.000 0.438 125 F N -0.305 119.692 119.950 0.079 0.000 2.692 125 F HA 0.430 4.952 4.527 -0.008 0.000 0.303 125 F C 1.765 177.783 175.800 0.363 0.000 1.114 125 F CA 0.193 58.382 58.000 0.317 0.000 1.361 125 F CB -1.037 38.161 39.000 0.330 0.000 1.063 125 F HN 0.262 nan 8.300 nan 0.000 0.550 126 G N 1.338 110.301 108.800 0.272 0.000 2.614 126 G HA2 -0.391 3.563 3.960 -0.008 0.000 0.303 126 G HA3 -0.391 3.563 3.960 -0.008 0.000 0.303 126 G C 0.931 175.888 174.900 0.095 0.000 1.270 126 G CA 0.583 45.773 45.100 0.149 0.000 0.988 126 G HN 0.319 nan 8.290 nan 0.000 0.551 127 N N 0.689 119.294 118.700 -0.158 0.000 2.268 127 N HA 0.215 4.950 4.740 -0.008 0.000 0.204 127 N C 1.550 176.825 175.510 -0.392 0.000 1.124 127 N CA 0.266 53.194 53.050 -0.203 0.000 0.838 127 N CB -0.102 38.243 38.487 -0.237 0.000 0.994 127 N HN 0.439 nan 8.380 nan 0.000 0.489 128 F N 0.521 120.395 119.950 -0.126 0.000 2.699 128 F HA -0.028 4.494 4.527 -0.008 0.000 0.298 128 F C 1.181 176.947 175.800 -0.057 0.000 1.154 128 F CA -0.066 57.724 58.000 -0.350 0.000 1.457 128 F CB 0.211 39.099 39.000 -0.188 0.000 1.106 128 F HN -0.159 nan 8.300 nan 0.000 0.585 129 V N -1.627 118.419 119.914 0.220 0.000 2.604 129 V HA 0.348 4.463 4.120 -0.008 0.000 0.305 129 V C 0.443 176.683 176.094 0.243 0.000 1.043 129 V CA -1.123 61.332 62.300 0.258 0.000 0.888 129 V CB 1.925 33.949 31.823 0.334 0.000 0.995 129 V HN 0.258 nan 8.190 nan 0.000 0.429 130 K N 2.853 123.404 120.400 0.253 0.000 2.400 130 K HA 0.264 4.579 4.320 -0.008 0.000 0.194 130 K C -0.190 176.606 176.600 0.326 0.000 1.033 130 K CA 0.282 56.715 56.287 0.243 0.000 1.021 130 K CB 0.300 32.918 32.500 0.198 0.000 0.808 130 K HN 0.587 nan 8.250 nan 0.000 0.505 131 F N 1.252 121.310 119.950 0.181 0.000 2.573 131 F HA 0.479 5.001 4.527 -0.009 0.000 0.316 131 F C -1.905 174.034 175.800 0.231 0.000 1.148 131 F CA -1.792 56.311 58.000 0.171 0.000 0.940 131 F CB 1.687 40.755 39.000 0.113 0.000 1.214 131 F HN -0.029 nan 8.300 nan 0.000 0.448 132 F N 4.983 124.505 119.950 -0.713 0.000 2.565 132 F HA 0.747 5.269 4.527 -0.009 0.000 0.313 132 F C -1.199 174.040 175.800 -0.935 0.000 1.091 132 F CA -0.209 57.380 58.000 -0.686 0.000 0.915 132 F CB 2.080 40.797 39.000 -0.473 0.000 1.208 132 F HN 0.544 nan 8.300 nan 0.000 0.453 133 T N 3.670 117.020 114.554 -2.007 0.000 2.894 133 T HA 0.247 4.592 4.350 -0.008 0.000 0.309 133 T C -2.097 171.678 174.700 -1.541 0.000 1.208 133 T CA -0.540 60.590 62.100 -1.617 0.000 1.016 133 T CB 1.378 69.832 68.868 -0.689 0.000 1.192 133 T HN 0.702 nan 8.240 nan 0.000 0.491 134 D N 2.344 122.236 120.400 -0.846 0.000 2.411 134 D HA 0.403 5.038 4.640 -0.008 0.000 0.225 134 D C 0.504 176.735 176.300 -0.115 0.000 1.156 134 D CA -0.146 53.674 54.000 -0.300 0.000 0.874 134 D CB 0.568 41.418 40.800 0.082 0.000 1.034 134 D HN 0.524 nan 8.370 nan 0.000 0.502 135 S N 2.497 118.146 115.700 -0.085 0.000 2.584 135 S HA 0.503 4.968 4.470 -0.008 0.000 0.270 135 S C 0.617 175.323 174.600 0.177 0.000 1.346 135 S CA -0.787 57.455 58.200 0.070 0.000 1.018 135 S CB 1.191 64.370 63.200 -0.035 0.000 0.899 135 S HN 0.567 nan 8.310 nan 0.000 0.542 136 A N 2.396 125.400 122.820 0.307 0.000 2.507 136 A HA 0.362 4.677 4.320 -0.008 0.000 0.235 136 A C 0.596 178.219 177.584 0.064 0.000 1.070 136 A CA -0.550 51.576 52.037 0.148 0.000 0.768 136 A CB -0.423 18.590 19.000 0.022 0.000 1.011 136 A HN 0.885 nan 8.150 nan 0.000 0.502 137 L N 2.099 123.301 121.223 -0.034 0.000 2.514 137 L HA 0.119 4.454 4.340 -0.008 0.000 0.280 137 L C -1.875 174.737 176.870 -0.431 0.000 1.223 137 L CA -1.290 53.472 54.840 -0.131 0.000 0.864 137 L CB -0.033 41.967 42.059 -0.099 0.000 1.118 137 L HN 0.466 nan 8.230 nan 0.000 0.494 138 P HA 0.025 nan 4.420 nan 0.000 0.264 138 P C -0.974 175.936 177.300 -0.649 0.000 1.183 138 P CA 0.462 62.877 63.100 -1.141 0.000 0.763 138 P CB 0.494 31.916 31.700 -0.463 0.000 0.807 139 E N 1.206 121.035 120.200 -0.618 0.000 2.408 139 E HA 0.122 4.467 4.350 -0.008 0.000 0.275 139 E C 0.167 176.761 176.600 -0.009 0.000 0.935 139 E CA -0.607 55.674 56.400 -0.199 0.000 0.775 139 E CB 1.697 31.312 29.700 -0.140 0.000 1.277 139 E HN 0.491 nan 8.360 nan 0.000 0.455 140 E N -0.087 120.130 120.200 0.028 0.000 2.481 140 E HA 0.062 4.406 4.350 -0.008 0.000 0.198 140 E C 0.188 176.824 176.600 0.059 0.000 1.027 140 E CA -0.092 56.358 56.400 0.082 0.000 0.900 140 E CB 0.499 30.244 29.700 0.075 0.000 0.993 140 E HN 0.304 nan 8.360 nan 0.000 0.482 141 S N 1.482 117.208 115.700 0.043 0.000 2.572 141 S HA 0.115 4.580 4.470 -0.008 0.000 0.279 141 S C -1.724 172.904 174.600 0.048 0.000 1.341 141 S CA -1.055 57.163 58.200 0.031 0.000 1.043 141 S CB 1.315 64.523 63.200 0.014 0.000 0.887 141 S HN -0.187 nan 8.310 nan 0.000 0.516 142 P HA -0.112 nan 4.420 nan 0.000 0.218 142 P C 1.589 178.919 177.300 0.049 0.000 1.148 142 P CA 1.042 64.162 63.100 0.033 0.000 0.822 142 P CB 0.055 31.769 31.700 0.022 0.000 0.784 143 Q N -0.959 118.871 119.800 0.050 0.000 2.119 143 Q HA -0.093 4.242 4.340 -0.008 0.000 0.201 143 Q C 1.877 177.939 176.000 0.103 0.000 0.972 143 Q CA 1.702 57.543 55.803 0.063 0.000 0.847 143 Q CB -0.750 28.012 28.738 0.039 0.000 0.903 143 Q HN 0.076 nan 8.270 nan 0.000 0.433 144 M N -0.534 119.135 119.600 0.116 0.000 2.349 144 M HA 0.018 4.493 4.480 -0.008 0.000 0.266 144 M C 1.831 178.295 176.300 0.274 0.000 1.076 144 M CA 0.887 56.323 55.300 0.226 0.000 1.126 144 M CB -0.563 32.154 32.600 0.194 0.000 1.392 144 M HN 0.261 nan 8.290 nan 0.000 0.440 145 L N -0.942 120.373 121.223 0.153 0.000 2.217 145 L HA -0.125 4.210 4.340 -0.008 0.000 0.211 145 L C 2.584 179.411 176.870 -0.071 0.000 1.107 145 L CA 0.767 55.644 54.840 0.060 0.000 0.783 145 L CB -0.568 41.522 42.059 0.051 0.000 0.919 145 L HN 0.280 nan 8.230 nan 0.000 0.442 146 R N -0.725 119.746 120.500 -0.048 0.000 2.090 146 R HA -0.176 4.159 4.340 -0.008 0.000 0.228 146 R C 2.358 178.603 176.300 -0.091 0.000 1.110 146 R CA 1.479 57.478 56.100 -0.168 0.000 0.973 146 R CB -0.368 29.952 30.300 0.034 0.000 0.869 146 R HN 0.294 nan 8.270 nan 0.000 0.440 147 Y N 0.897 121.162 120.300 -0.059 0.000 2.181 147 Y HA -0.216 4.329 4.550 -0.008 0.000 0.288 147 Y C 1.964 177.819 175.900 -0.076 0.000 1.146 147 Y CA 1.356 59.442 58.100 -0.024 0.000 1.164 147 Y CB -0.212 38.263 38.460 0.024 0.000 0.982 147 Y HN -0.065 nan 8.280 nan 0.000 0.515 148 I N 0.737 121.080 120.570 -0.377 0.000 2.406 148 I HA -0.129 4.036 4.170 -0.008 0.000 0.249 148 I C 2.355 178.257 176.117 -0.358 0.000 1.122 148 I CA 1.115 62.047 61.300 -0.613 0.000 1.431 148 I CB -0.563 36.971 38.000 -0.776 0.000 1.087 148 I HN 0.165 nan 8.210 nan 0.000 0.424 149 R N -0.602 119.712 120.500 -0.309 0.000 2.073 149 R HA -0.135 4.200 4.340 -0.008 0.000 0.234 149 R C 2.138 178.297 176.300 -0.235 0.000 1.134 149 R CA 1.991 57.915 56.100 -0.294 0.000 0.952 149 R CB -1.025 29.023 30.300 -0.421 0.000 0.850 149 R HN 0.326 nan 8.270 nan 0.000 0.433 150 T N 2.022 116.461 114.554 -0.191 0.000 2.720 150 T HA -0.154 4.191 4.350 -0.008 0.000 0.268 150 T C 1.760 176.377 174.700 -0.138 0.000 1.037 150 T CA 1.189 63.268 62.100 -0.035 0.000 1.144 150 T CB -0.245 68.649 68.868 0.044 0.000 0.864 150 T HN 0.068 nan 8.240 nan 0.000 0.444 151 L N 1.302 122.383 121.223 -0.237 0.000 2.046 151 L HA 0.051 4.386 4.340 -0.008 0.000 0.208 151 L C 2.615 179.419 176.870 -0.109 0.000 1.077 151 L CA 1.890 56.626 54.840 -0.175 0.000 0.747 151 L CB -1.101 40.773 42.059 -0.308 0.000 0.896 151 L HN 0.228 nan 8.230 nan 0.000 0.432 152 A N -1.574 121.095 122.820 -0.251 0.000 1.883 152 A HA -0.224 4.090 4.320 -0.008 0.000 0.217 152 A C 2.429 179.704 177.584 -0.515 0.000 1.186 152 A CA 2.130 53.656 52.037 -0.852 0.000 0.624 152 A CB -1.110 17.016 19.000 -1.455 0.000 0.822 152 A HN 0.503 nan 8.150 nan 0.000 0.444 153 S N -1.115 114.394 115.700 -0.319 0.000 2.370 153 S HA -0.193 4.272 4.470 -0.008 0.000 0.226 153 S C 2.132 176.638 174.600 -0.158 0.000 1.033 153 S CA 1.571 59.662 58.200 -0.182 0.000 1.011 153 S CB -0.329 62.809 63.200 -0.103 0.000 0.852 153 S HN 0.642 nan 8.310 nan 0.000 0.457 154 R N 0.896 121.281 120.500 -0.192 0.000 2.066 154 R HA -0.040 4.295 4.340 -0.008 0.000 0.232 154 R C 2.406 178.480 176.300 -0.377 0.000 1.131 154 R CA 1.280 57.209 56.100 -0.286 0.000 0.955 154 R CB -0.477 29.620 30.300 -0.337 0.000 0.851 154 R HN 0.370 nan 8.270 nan 0.000 0.432 155 A N 0.789 123.467 122.820 -0.237 0.000 1.902 155 A HA -0.126 4.189 4.320 -0.008 0.000 0.217 155 A C 2.358 179.958 177.584 0.027 0.000 1.181 155 A CA 1.770 53.782 52.037 -0.041 0.000 0.623 155 A CB -0.834 18.353 19.000 0.311 0.000 0.818 155 A HN 0.544 nan 8.150 nan 0.000 0.443 156 A N -0.622 122.236 122.820 0.065 0.000 1.933 156 A HA 0.124 4.439 4.320 -0.008 0.000 0.218 156 A C 2.378 179.949 177.584 -0.022 0.000 1.175 156 A CA 1.913 53.982 52.037 0.053 0.000 0.628 156 A CB -1.284 17.759 19.000 0.072 0.000 0.814 156 A HN 0.739 nan 8.150 nan 0.000 0.444 157 G N -0.803 107.955 108.800 -0.071 0.000 2.421 157 G HA2 -0.121 3.833 3.960 -0.008 0.000 0.217 157 G HA3 -0.121 3.833 3.960 -0.008 0.000 0.217 157 G C 1.414 176.269 174.900 -0.076 0.000 1.143 157 G CA 0.812 45.866 45.100 -0.078 0.000 0.784 157 G HN 0.511 nan 8.290 nan 0.000 0.541 158 E N 0.837 120.972 120.200 -0.107 0.000 2.107 158 E HA 0.005 4.350 4.350 -0.008 0.000 0.191 158 E C 2.933 179.535 176.600 0.004 0.000 0.982 158 E CA 0.824 57.185 56.400 -0.065 0.000 0.809 158 E CB -0.297 29.334 29.700 -0.115 0.000 0.756 158 E HN 0.354 nan 8.360 nan 0.000 0.459 159 A N 1.523 124.350 122.820 0.011 0.000 1.972 159 A HA -0.224 4.091 4.320 -0.008 0.000 0.219 159 A C 2.019 179.596 177.584 -0.013 0.000 1.169 159 A CA 1.435 53.479 52.037 0.012 0.000 0.635 159 A CB -0.373 18.628 19.000 0.003 0.000 0.810 159 A HN 0.226 nan 8.150 nan 0.000 0.446 160 Q N -0.589 119.198 119.800 -0.022 0.000 2.402 160 Q HA 0.079 4.414 4.340 -0.008 0.000 0.206 160 Q C 0.856 176.841 176.000 -0.023 0.000 0.919 160 Q CA 0.124 55.910 55.803 -0.028 0.000 0.923 160 Q CB 0.003 28.723 28.738 -0.031 0.000 1.048 160 Q HN 0.547 nan 8.270 nan 0.000 0.515 161 K N 2.126 122.515 120.400 -0.019 0.000 2.401 161 K HA 0.061 4.376 4.320 -0.008 0.000 0.278 161 K C -0.300 176.294 176.600 -0.010 0.000 1.018 161 K CA -0.105 56.174 56.287 -0.014 0.000 0.981 161 K CB 0.601 33.094 32.500 -0.011 0.000 0.933 161 K HN 0.013 nan 8.250 nan 0.000 0.477 162 R N 3.110 123.603 120.500 -0.011 0.000 2.861 162 R HA -0.002 4.333 4.340 -0.008 0.000 0.268 162 R C -1.898 174.390 176.300 -0.020 0.000 1.027 162 R CA -0.632 55.458 56.100 -0.017 0.000 1.163 162 R CB -0.118 30.172 30.300 -0.017 0.000 1.060 162 R HN 0.669 nan 8.270 nan 0.000 0.483 163 P HA -0.281 nan 4.420 nan 0.000 0.122 163 P C -0.438 176.835 177.300 -0.046 0.000 0.858 163 P CA 1.177 64.243 63.100 -0.057 0.000 1.002 163 P CB -0.204 31.451 31.700 -0.075 0.000 1.539 164 M N 1.452 121.026 119.600 -0.044 0.000 2.252 164 M HA 0.310 4.785 4.480 -0.008 0.000 0.321 164 M C 1.369 177.640 176.300 -0.048 0.000 1.070 164 M CA 1.671 56.947 55.300 -0.039 0.000 1.143 164 M CB 0.260 32.832 32.600 -0.047 0.000 1.498 164 M HN 0.616 nan 8.290 nan 0.000 0.445 165 G N 1.730 110.515 108.800 -0.026 0.000 2.341 165 G HA2 0.417 4.371 3.960 -0.008 0.000 0.299 165 G HA3 0.417 4.371 3.960 -0.008 0.000 0.299 165 G C -3.307 171.597 174.900 0.006 0.000 1.274 165 G CA -0.804 44.285 45.100 -0.019 0.000 0.853 165 G HN 0.411 nan 8.290 nan 0.000 0.493 166 P HA 0.493 nan 4.420 nan 0.000 0.278 166 P C -0.139 177.225 177.300 0.106 0.000 1.238 166 P CA -0.203 62.900 63.100 0.004 0.000 0.794 166 P CB 1.690 33.348 31.700 -0.071 0.000 0.955 167 V N -0.802 119.194 119.914 0.137 0.000 3.102 167 V HA 0.608 4.723 4.120 -0.008 0.000 0.312 167 V C -0.981 175.313 176.094 0.332 0.000 1.135 167 V CA -0.831 61.637 62.300 0.281 0.000 1.022 167 V CB 2.234 34.268 31.823 0.351 0.000 1.056 167 V HN 0.754 nan 8.190 nan 0.000 0.436 168 H N 0.714 119.954 119.070 0.282 0.000 2.744 168 H HA 0.770 5.321 4.556 -0.008 0.000 0.339 168 H C -2.033 173.408 175.328 0.187 0.000 1.004 168 H CA -0.642 55.602 56.048 0.327 0.000 1.257 168 H CB 2.249 32.362 29.762 0.585 0.000 1.552 168 H HN 0.679 nan 8.280 nan 0.000 0.522 169 V N 5.179 125.190 119.914 0.163 0.000 2.409 169 V HA 0.092 4.207 4.120 -0.008 0.000 0.291 169 V C -0.003 176.015 176.094 -0.125 0.000 1.020 169 V CA -0.847 61.398 62.300 -0.091 0.000 0.848 169 V CB 1.293 33.269 31.823 0.255 0.000 0.990 169 V HN 0.714 nan 8.190 nan 0.000 0.430 170 N N 3.966 122.426 118.700 -0.401 0.000 2.434 170 N HA 0.420 5.155 4.740 -0.008 0.000 0.272 170 N C -0.889 174.587 175.510 -0.056 0.000 1.040 170 N CA -0.233 52.735 53.050 -0.135 0.000 0.956 170 N CB 1.589 40.005 38.487 -0.117 0.000 1.108 170 N HN 0.383 nan 8.380 nan 0.000 0.481 171 V N 6.170 126.112 119.914 0.047 0.000 2.266 171 V HA 0.389 4.504 4.120 -0.008 0.000 0.271 171 V C -2.091 174.038 176.094 0.058 0.000 1.032 171 V CA -1.587 60.747 62.300 0.055 0.000 0.806 171 V CB 0.751 32.647 31.823 0.121 0.000 1.052 171 V HN 0.699 nan 8.190 nan 0.000 0.449 172 P HA 0.316 nan 4.420 nan 0.000 0.271 172 P C -0.854 176.481 177.300 0.057 0.000 1.216 172 P CA 0.082 63.208 63.100 0.044 0.000 0.771 172 P CB 1.209 32.943 31.700 0.057 0.000 0.864 173 L N 2.934 124.187 121.223 0.049 0.000 2.436 173 L HA 0.528 4.863 4.340 -0.008 0.000 0.268 173 L C 0.518 177.406 176.870 0.030 0.000 0.974 173 L CA -0.792 54.075 54.840 0.044 0.000 0.826 173 L CB 2.864 44.959 42.059 0.061 0.000 1.291 173 L HN 0.269 nan 8.230 nan 0.000 0.406 174 R N 1.599 122.108 120.500 0.015 0.000 2.407 174 R HA 0.293 4.628 4.340 -0.008 0.000 0.303 174 R C -0.431 175.874 176.300 0.008 0.000 0.981 174 R CA -0.639 55.466 56.100 0.009 0.000 0.905 174 R CB 1.259 31.556 30.300 -0.005 0.000 1.099 174 R HN 0.560 nan 8.270 nan 0.000 0.459 175 E N 4.494 124.700 120.200 0.009 0.000 2.292 175 E HA 0.094 4.439 4.350 -0.008 0.000 0.265 175 E C -2.139 174.463 176.600 0.003 0.000 1.093 175 E CA -1.142 55.263 56.400 0.008 0.000 0.922 175 E CB 0.771 30.476 29.700 0.008 0.000 1.001 175 E HN 0.322 nan 8.360 nan 0.000 0.444 176 P HA 0.232 nan 4.420 nan 0.000 0.308 176 P C -0.202 177.103 177.300 0.008 0.000 1.592 176 P CA -0.440 62.662 63.100 0.004 0.000 1.233 176 P CB 1.349 33.048 31.700 -0.001 0.000 1.160 177 L N 0.491 121.722 121.223 0.013 0.000 2.416 177 L HA 0.255 4.589 4.340 -0.008 0.000 0.216 177 L C 0.974 177.857 176.870 0.021 0.000 1.098 177 L CA 0.381 55.234 54.840 0.022 0.000 0.840 177 L CB -0.039 42.036 42.059 0.028 0.000 0.981 177 L HN 0.388 nan 8.230 nan 0.000 0.462 178 M N 2.540 122.147 119.600 0.012 0.000 2.184 178 M HA 0.241 4.716 4.480 -0.008 0.000 0.351 178 M C -2.229 174.066 176.300 -0.008 0.000 1.395 178 M CA -2.283 53.020 55.300 0.007 0.000 1.117 178 M CB 0.237 32.839 32.600 0.003 0.000 1.708 178 M HN -0.245 nan 8.290 nan 0.000 0.468 179 P HA 0.109 nan 4.420 nan 0.000 0.274 179 P C -1.127 176.129 177.300 -0.073 0.000 1.231 179 P CA -0.225 62.844 63.100 -0.050 0.000 0.790 179 P CB 0.489 32.159 31.700 -0.050 0.000 0.951 180 D N 1.944 122.279 120.400 -0.109 0.000 2.393 180 D HA 0.086 4.720 4.640 -0.008 0.000 0.232 180 D C 1.112 177.333 176.300 -0.131 0.000 1.192 180 D CA -0.119 53.822 54.000 -0.098 0.000 0.882 180 D CB -0.035 40.713 40.800 -0.086 0.000 1.038 180 D HN 0.216 nan 8.370 nan 0.000 0.499 181 L N 2.509 123.670 121.223 -0.104 0.000 2.465 181 L HA -0.083 4.252 4.340 -0.008 0.000 0.224 181 L C 1.943 178.749 176.870 -0.106 0.000 1.145 181 L CA 0.636 55.400 54.840 -0.126 0.000 0.834 181 L CB -0.240 41.773 42.059 -0.078 0.000 0.944 181 L HN 0.358 nan 8.230 nan 0.000 0.451 182 S N -2.932 112.725 115.700 -0.071 0.000 2.634 182 S HA -0.009 4.456 4.470 -0.008 0.000 0.221 182 S C 0.699 175.279 174.600 -0.033 0.000 0.952 182 S CA -0.153 58.020 58.200 -0.044 0.000 0.930 182 S CB -0.013 63.172 63.200 -0.025 0.000 0.780 182 S HN 0.247 nan 8.310 nan 0.000 0.498 183 D N 2.249 122.619 120.400 -0.050 0.000 2.891 183 D HA 0.162 4.797 4.640 -0.008 0.000 0.332 183 D C -0.614 175.723 176.300 0.061 0.000 1.369 183 D CA -0.281 53.728 54.000 0.014 0.000 0.827 183 D CB -0.492 40.329 40.800 0.035 0.000 1.141 183 D HN 0.372 nan 8.370 nan 0.000 0.464 184 E N 0.136 120.326 120.200 -0.016 0.000 2.197 184 E HA -0.192 4.153 4.350 -0.008 0.000 0.184 184 E C -1.608 174.983 176.600 -0.016 0.000 1.439 184 E CA 0.095 56.485 56.400 -0.016 0.000 0.688 184 E CB -0.498 29.238 29.700 0.059 0.000 1.090 184 E HN 0.437 nan 8.360 nan 0.000 0.341 185 P HA -0.188 nan 4.420 nan 0.000 0.218 185 P C 0.780 178.009 177.300 -0.118 0.000 1.146 185 P CA 1.429 64.308 63.100 -0.367 0.000 0.813 185 P CB -0.063 31.248 31.700 -0.648 0.000 0.778 186 F N -0.301 119.721 119.950 0.120 0.000 2.732 186 F HA 0.295 4.817 4.527 -0.008 0.000 0.303 186 F C 1.762 177.625 175.800 0.106 0.000 1.110 186 F CA -0.776 57.297 58.000 0.121 0.000 1.355 186 F CB -0.376 38.676 39.000 0.088 0.000 1.081 186 F HN -0.152 nan 8.300 nan 0.000 0.565 187 G N 1.825 110.769 108.800 0.239 0.000 2.265 187 G HA2 0.145 4.100 3.960 -0.008 0.000 0.240 187 G HA3 0.145 4.100 3.960 -0.008 0.000 0.240 187 G C -0.040 174.934 174.900 0.123 0.000 1.270 187 G CA -0.327 44.863 45.100 0.150 0.000 0.901 187 G HN 0.303 nan 8.290 nan 0.000 0.507 188 R N 1.685 122.242 120.500 0.094 0.000 2.674 188 R HA 0.473 4.808 4.340 -0.008 0.000 0.266 188 R C 1.083 177.415 176.300 0.052 0.000 1.016 188 R CA -0.798 55.347 56.100 0.075 0.000 1.062 188 R CB 1.503 31.848 30.300 0.076 0.000 1.142 188 R HN 0.547 nan 8.270 nan 0.000 0.517 189 M N 0.196 119.829 119.600 0.055 0.000 2.421 189 M HA 0.205 4.680 4.480 -0.008 0.000 0.258 189 M C 0.260 176.595 176.300 0.059 0.000 1.122 189 M CA 0.757 56.087 55.300 0.051 0.000 1.078 189 M CB 0.655 33.289 32.600 0.057 0.000 1.380 189 M HN 0.297 nan 8.290 nan 0.000 0.499 190 R N -0.688 119.854 120.500 0.070 0.000 2.930 190 R HA 0.505 4.840 4.340 -0.008 0.000 0.257 190 R C -0.671 175.656 176.300 0.045 0.000 1.107 190 R CA -0.700 55.434 56.100 0.057 0.000 0.999 190 R CB 1.376 31.716 30.300 0.067 0.000 1.209 190 R HN -0.163 nan 8.270 nan 0.000 0.486 191 T N 1.329 115.901 114.554 0.031 0.000 2.743 191 T HA 0.453 4.798 4.350 -0.008 0.000 0.293 191 T C 0.394 175.107 174.700 0.023 0.000 0.945 191 T CA 0.481 62.597 62.100 0.026 0.000 1.030 191 T CB 1.046 69.924 68.868 0.017 0.000 0.912 191 T HN 0.843 nan 8.240 nan 0.000 0.483 192 G N 3.733 112.549 108.800 0.027 0.000 2.632 192 G HA2 -0.211 3.744 3.960 -0.008 0.000 0.224 192 G HA3 -0.211 3.744 3.960 -0.008 0.000 0.224 192 G C -0.422 174.493 174.900 0.025 0.000 1.341 192 G CA -0.981 44.130 45.100 0.020 0.000 0.880 192 G HN 0.844 nan 8.290 nan 0.000 0.566 193 R N -0.089 120.417 120.500 0.011 0.000 2.583 193 R HA 0.203 4.538 4.340 -0.008 0.000 0.274 193 R C 1.457 177.777 176.300 0.034 0.000 0.998 193 R CA 0.618 56.726 56.100 0.013 0.000 1.081 193 R CB 0.254 30.546 30.300 -0.014 0.000 0.940 193 R HN 0.758 nan 8.270 nan 0.000 0.413 194 H N 2.158 121.204 119.070 -0.040 0.000 2.256 194 H HA -0.045 4.506 4.556 -0.009 0.000 0.299 194 H C 0.009 175.314 175.328 -0.037 0.000 1.071 194 H CA 1.678 57.705 56.048 -0.036 0.000 1.280 194 H CB 0.444 30.178 29.762 -0.046 0.000 1.370 194 H HN 0.239 nan 8.280 nan 0.000 0.490 195 V N 0.975 120.830 119.914 -0.099 0.000 2.656 195 V HA 0.352 4.467 4.120 -0.008 0.000 0.307 195 V C -0.436 175.616 176.094 -0.070 0.000 1.051 195 V CA -0.491 61.727 62.300 -0.137 0.000 0.893 195 V CB 1.740 33.507 31.823 -0.093 0.000 0.999 195 V HN 0.546 nan 8.190 nan 0.000 0.426 196 S N 2.766 118.425 115.700 -0.068 0.000 2.475 196 S HA 0.783 5.247 4.470 -0.008 0.000 0.298 196 S C -0.678 173.893 174.600 -0.049 0.000 1.119 196 S CA -0.714 57.456 58.200 -0.051 0.000 1.085 196 S CB 1.678 64.853 63.200 -0.042 0.000 1.028 196 S HN 0.518 nan 8.310 nan 0.000 0.489 197 V N 3.698 123.584 119.914 -0.047 0.000 2.347 197 V HA 0.443 4.558 4.120 -0.008 0.000 0.280 197 V C -0.355 175.718 176.094 -0.035 0.000 1.021 197 V CA -0.675 61.598 62.300 -0.045 0.000 0.847 197 V CB 1.164 32.954 31.823 -0.054 0.000 0.990 197 V HN 0.779 nan 8.190 nan 0.000 0.444 198 K N 3.904 124.287 120.400 -0.030 0.000 2.347 198 K HA 0.381 4.696 4.320 -0.008 0.000 0.262 198 K C 0.358 176.946 176.600 -0.019 0.000 1.052 198 K CA -0.248 56.026 56.287 -0.023 0.000 0.946 198 K CB 1.477 33.965 32.500 -0.019 0.000 1.220 198 K HN 0.878 nan 8.250 nan 0.000 0.450 199 T N -0.794 113.749 114.554 -0.019 0.000 2.849 199 T HA 0.647 4.992 4.350 -0.008 0.000 0.284 199 T C 0.770 175.465 174.700 -0.008 0.000 1.004 199 T CA -0.566 61.526 62.100 -0.014 0.000 1.021 199 T CB 1.735 70.594 68.868 -0.015 0.000 1.013 199 T HN 0.435 nan 8.240 nan 0.000 0.527 200 G N -0.516 108.282 108.800 -0.003 0.000 3.257 200 G HA2 0.655 4.610 3.960 -0.008 0.000 0.205 200 G HA3 0.655 4.610 3.960 -0.008 0.000 0.205 200 G C -0.688 174.215 174.900 0.005 0.000 1.234 200 G CA -0.322 44.779 45.100 0.001 0.000 0.918 200 G HN 1.012 nan 8.290 nan 0.000 0.602 201 T N -1.271 113.290 114.554 0.011 0.000 2.916 201 T HA 0.574 4.919 4.350 -0.008 0.000 0.292 201 T C -1.104 173.611 174.700 0.025 0.000 1.055 201 T CA -0.431 61.679 62.100 0.017 0.000 1.009 201 T CB 1.928 70.806 68.868 0.017 0.000 1.118 201 T HN 0.381 nan 8.240 nan 0.000 0.497 202 Q N 1.765 121.584 119.800 0.032 0.000 2.256 202 Q HA 0.628 4.963 4.340 -0.008 0.000 0.257 202 Q C -1.085 174.948 176.000 0.054 0.000 0.936 202 Q CA -0.580 55.249 55.803 0.044 0.000 0.903 202 Q CB 1.578 30.348 28.738 0.052 0.000 1.263 202 Q HN 0.741 nan 8.270 nan 0.000 0.440 203 S N 1.287 117.020 115.700 0.054 0.000 2.536 203 S HA 0.522 4.987 4.470 -0.008 0.000 0.287 203 S C -0.970 173.665 174.600 0.059 0.000 1.101 203 S CA -0.682 57.554 58.200 0.059 0.000 0.950 203 S CB 1.867 65.093 63.200 0.044 0.000 1.056 203 S HN 0.393 nan 8.310 nan 0.000 0.481 204 V N 3.205 123.161 119.914 0.070 0.000 2.483 204 V HA 0.346 4.461 4.120 -0.008 0.000 0.295 204 V C -0.295 175.828 176.094 0.049 0.000 1.035 204 V CA -0.956 61.379 62.300 0.059 0.000 0.896 204 V CB 1.633 33.498 31.823 0.070 0.000 0.986 204 V HN 0.986 nan 8.190 nan 0.000 0.447 205 D N 3.567 123.986 120.400 0.031 0.000 2.358 205 D HA 0.117 4.752 4.640 -0.008 0.000 0.244 205 D C 1.158 177.465 176.300 0.012 0.000 1.163 205 D CA -0.616 53.395 54.000 0.019 0.000 0.945 205 D CB 0.720 41.527 40.800 0.012 0.000 1.152 205 D HN 0.397 nan 8.370 nan 0.000 0.451 206 R N 0.055 120.555 120.500 -0.000 0.000 2.134 206 R HA -0.295 4.040 4.340 -0.008 0.000 0.248 206 R C 1.848 178.143 176.300 -0.009 0.000 1.143 206 R CA 2.188 58.280 56.100 -0.013 0.000 0.957 206 R CB -0.163 30.126 30.300 -0.019 0.000 0.867 206 R HN 0.770 nan 8.270 nan 0.000 0.441 207 E N -0.260 119.937 120.200 -0.004 0.000 2.072 207 E HA -0.135 4.210 4.350 -0.008 0.000 0.191 207 E C 1.436 178.037 176.600 0.001 0.000 0.985 207 E CA 1.605 58.004 56.400 -0.003 0.000 0.801 207 E CB 0.045 29.744 29.700 -0.001 0.000 0.750 207 E HN 0.498 nan 8.360 nan 0.000 0.452 208 S N 0.002 115.706 115.700 0.007 0.000 2.607 208 S HA -0.009 4.455 4.470 -0.008 0.000 0.224 208 S C 1.441 176.050 174.600 0.014 0.000 0.969 208 S CA 0.073 58.280 58.200 0.011 0.000 0.927 208 S CB 0.219 63.427 63.200 0.013 0.000 0.772 208 S HN 0.144 nan 8.310 nan 0.000 0.533 209 L N 1.467 122.698 121.223 0.013 0.000 2.567 209 L HA 0.348 4.683 4.340 -0.008 0.000 0.225 209 L C 2.208 179.070 176.870 -0.014 0.000 1.119 209 L CA 0.292 55.141 54.840 0.016 0.000 0.871 209 L CB -1.302 40.771 42.059 0.023 0.000 1.036 209 L HN 0.212 nan 8.230 nan 0.000 0.459 210 S N 0.333 116.023 115.700 -0.016 0.000 2.380 210 S HA -0.266 4.199 4.470 -0.008 0.000 0.229 210 S C 1.489 176.071 174.600 -0.029 0.000 1.050 210 S CA 2.103 60.289 58.200 -0.023 0.000 1.100 210 S CB -0.168 63.023 63.200 -0.014 0.000 0.984 210 S HN 0.488 nan 8.310 nan 0.000 0.434 211 D N 0.421 120.805 120.400 -0.025 0.000 2.123 211 D HA -0.077 4.557 4.640 -0.008 0.000 0.196 211 D C 1.959 178.213 176.300 -0.077 0.000 0.992 211 D CA 0.880 54.862 54.000 -0.031 0.000 0.833 211 D CB -0.556 40.245 40.800 0.001 0.000 0.954 211 D HN 0.238 nan 8.370 nan 0.000 0.455 212 V N 0.837 120.680 119.914 -0.119 0.000 2.379 212 V HA -0.155 3.960 4.120 -0.008 0.000 0.245 212 V C 2.401 178.458 176.094 -0.062 0.000 1.044 212 V CA 1.564 63.776 62.300 -0.147 0.000 1.036 212 V CB -0.686 31.056 31.823 -0.135 0.000 0.664 212 V HN 0.201 nan 8.190 nan 0.000 0.453 213 A N -0.282 122.504 122.820 -0.057 0.000 1.877 213 A HA -0.256 4.059 4.320 -0.008 0.000 0.216 213 A C 2.166 179.717 177.584 -0.054 0.000 1.186 213 A CA 1.975 53.969 52.037 -0.072 0.000 0.620 213 A CB -0.474 18.477 19.000 -0.083 0.000 0.822 213 A HN 0.610 nan 8.150 nan 0.000 0.443 214 E N -0.314 119.860 120.200 -0.043 0.000 2.051 214 E HA -0.234 4.111 4.350 -0.008 0.000 0.192 214 E C 2.214 178.800 176.600 -0.024 0.000 0.991 214 E CA 1.719 58.100 56.400 -0.031 0.000 0.799 214 E CB -0.378 29.308 29.700 -0.024 0.000 0.748 214 E HN 0.896 nan 8.360 nan 0.000 0.449 215 M N -0.149 119.436 119.600 -0.025 0.000 2.296 215 M HA -0.080 4.395 4.480 -0.008 0.000 0.265 215 M C 1.896 178.202 176.300 0.008 0.000 1.064 215 M CA 1.535 56.827 55.300 -0.013 0.000 1.109 215 M CB -0.296 32.293 32.600 -0.018 0.000 1.396 215 M HN 0.016 nan 8.290 nan 0.000 0.430 216 L N 0.899 122.129 121.223 0.012 0.000 2.131 216 L HA 0.043 4.378 4.340 -0.008 0.000 0.206 216 L C 3.130 180.009 176.870 0.016 0.000 1.087 216 L CA 0.824 55.696 54.840 0.054 0.000 0.767 216 L CB -0.906 41.168 42.059 0.026 0.000 0.917 216 L HN 0.433 nan 8.230 nan 0.000 0.441 217 A N -0.192 122.614 122.820 -0.024 0.000 1.940 217 A HA -0.199 4.116 4.320 -0.008 0.000 0.219 217 A C 2.204 179.784 177.584 -0.008 0.000 1.176 217 A CA 1.590 53.609 52.037 -0.031 0.000 0.631 217 A CB -0.288 18.689 19.000 -0.038 0.000 0.814 217 A HN 0.355 nan 8.150 nan 0.000 0.446 218 E N -0.346 119.853 120.200 -0.002 0.000 2.230 218 E HA 0.140 4.485 4.350 -0.008 0.000 0.192 218 E C 0.838 177.437 176.600 -0.002 0.000 0.987 218 E CA 0.662 57.060 56.400 -0.004 0.000 0.841 218 E CB -0.200 29.493 29.700 -0.011 0.000 0.783 218 E HN 0.494 nan 8.360 nan 0.000 0.481 219 A N 2.038 124.870 122.820 0.019 0.000 2.376 219 A HA 0.064 4.379 4.320 -0.008 0.000 0.298 219 A C 1.155 178.752 177.584 0.021 0.000 1.271 219 A CA -0.105 51.925 52.037 -0.011 0.000 0.926 219 A CB 0.298 19.282 19.000 -0.026 0.000 1.141 219 A HN 0.111 nan 8.150 nan 0.000 0.539 220 E N 2.969 123.127 120.200 -0.071 0.000 2.031 220 E HA -0.139 4.206 4.350 -0.008 0.000 0.193 220 E C 0.134 176.500 176.600 -0.390 0.000 0.994 220 E CA 1.051 57.399 56.400 -0.087 0.000 0.800 220 E CB -0.054 29.591 29.700 -0.092 0.000 0.752 220 E HN 0.690 nan 8.360 nan 0.000 0.447 221 K N 1.180 121.128 120.400 -0.755 0.000 2.142 221 K HA 0.264 4.579 4.320 -0.008 0.000 0.250 221 K C -0.262 175.733 176.600 -1.008 0.000 1.148 221 K CA -0.268 55.047 56.287 -1.621 0.000 1.040 221 K CB 1.146 32.704 32.500 -1.571 0.000 1.569 221 K HN 0.097 nan 8.250 nan 0.000 0.361 222 G N 2.126 110.275 108.800 -1.086 0.000 2.473 222 G HA2 0.697 4.652 3.960 -0.008 0.000 0.321 222 G HA3 0.697 4.652 3.960 -0.008 0.000 0.321 222 G C -0.698 173.683 174.900 -0.864 0.000 1.200 222 G CA -0.948 43.339 45.100 -1.354 0.000 0.963 222 G HN 0.472 nan 8.290 nan 0.000 0.483 223 M N 0.244 119.540 119.600 -0.506 0.000 2.446 223 M HA 0.697 5.172 4.480 -0.008 0.000 0.294 223 M C -1.743 174.489 176.300 -0.113 0.000 1.158 223 M CA -0.821 54.320 55.300 -0.264 0.000 0.899 223 M CB 2.313 34.745 32.600 -0.281 0.000 1.687 223 M HN 0.263 nan 8.290 nan 0.000 0.455 224 I N 2.930 123.487 120.570 -0.022 0.000 2.359 224 I HA 0.522 4.687 4.170 -0.008 0.000 0.294 224 I C -0.826 175.257 176.117 -0.057 0.000 0.987 224 I CA -1.062 60.269 61.300 0.051 0.000 1.225 224 I CB 2.013 40.124 38.000 0.184 0.000 1.366 224 I HN 0.511 nan 8.210 nan 0.000 0.466 225 V N 5.917 125.800 119.914 -0.052 0.000 2.378 225 V HA 0.259 4.374 4.120 -0.008 0.000 0.288 225 V C -0.613 175.468 176.094 -0.021 0.000 1.016 225 V CA -0.512 61.723 62.300 -0.109 0.000 0.840 225 V CB 1.616 33.354 31.823 -0.141 0.000 0.994 225 V HN 0.841 nan 8.190 nan 0.000 0.431 226 C N 5.271 124.547 119.300 -0.039 0.000 2.293 226 C HA 0.833 5.288 4.460 -0.008 0.000 0.323 226 C C 0.984 175.950 174.990 -0.040 0.000 1.240 226 C CA -0.116 58.907 59.018 0.008 0.000 1.497 226 C CB -0.242 27.488 27.740 -0.016 0.000 2.171 226 C HN 1.048 nan 8.230 nan 0.000 0.465 227 G N 2.671 111.451 108.800 -0.032 0.000 2.543 227 G HA2 0.343 4.298 3.960 -0.008 0.000 0.267 227 G HA3 0.343 4.298 3.960 -0.008 0.000 0.267 227 G C -0.369 174.471 174.900 -0.099 0.000 1.406 227 G CA -0.337 44.728 45.100 -0.058 0.000 1.048 227 G HN 0.911 nan 8.290 nan 0.000 0.548 228 E N -0.598 119.526 120.200 -0.126 0.000 2.820 228 E HA 0.017 4.362 4.350 -0.008 0.000 0.251 228 E C -0.419 176.009 176.600 -0.287 0.000 0.944 228 E CA 0.255 56.521 56.400 -0.223 0.000 0.955 228 E CB -0.092 29.497 29.700 -0.185 0.000 0.904 228 E HN 0.184 nan 8.360 nan 0.000 0.513 229 L N 4.404 125.390 121.223 -0.395 0.000 2.319 229 L HA 0.360 4.695 4.340 -0.008 0.000 0.267 229 L C 0.668 177.183 176.870 -0.592 0.000 1.011 229 L CA -1.004 53.614 54.840 -0.370 0.000 0.818 229 L CB 1.724 43.635 42.059 -0.248 0.000 1.316 229 L HN 0.701 nan 8.230 nan 0.000 0.432 230 H N -0.747 118.276 119.070 -0.077 0.000 2.916 230 H HA 0.085 4.636 4.556 -0.008 0.000 0.229 230 H C 0.561 175.853 175.328 -0.059 0.000 0.917 230 H CA 0.017 56.027 56.048 -0.064 0.000 1.048 230 H CB 1.001 30.745 29.762 -0.030 0.000 1.417 230 H HN 0.500 nan 8.280 nan 0.000 0.445 231 S N 1.839 117.568 115.700 0.049 0.000 2.533 231 S HA -0.017 4.447 4.470 -0.008 0.000 0.282 231 S C 0.904 175.479 174.600 -0.042 0.000 1.304 231 S CA -0.420 57.783 58.200 0.005 0.000 1.063 231 S CB 0.577 63.774 63.200 -0.006 0.000 0.881 231 S HN 0.150 nan 8.310 nan 0.000 0.493 232 D N 4.350 124.732 120.400 -0.031 0.000 2.149 232 D HA -0.022 4.613 4.640 -0.008 0.000 0.201 232 D C 2.113 178.376 176.300 -0.061 0.000 0.972 232 D CA 1.393 55.364 54.000 -0.048 0.000 0.835 232 D CB -0.388 40.398 40.800 -0.023 0.000 0.966 232 D HN 0.684 nan 8.370 nan 0.000 0.476 233 A N 1.242 124.033 122.820 -0.047 0.000 1.902 233 A HA -0.197 4.118 4.320 -0.008 0.000 0.217 233 A C 1.848 179.383 177.584 -0.081 0.000 1.181 233 A CA 1.655 53.661 52.037 -0.052 0.000 0.623 233 A CB -0.332 18.648 19.000 -0.033 0.000 0.818 233 A HN 0.024 nan 8.150 nan 0.000 0.443 234 D N -0.210 120.135 120.400 -0.092 0.000 2.097 234 D HA -0.109 4.526 4.640 -0.008 0.000 0.195 234 D C 1.959 178.131 176.300 -0.214 0.000 0.989 234 D CA 1.416 55.329 54.000 -0.145 0.000 0.827 234 D CB -0.303 40.421 40.800 -0.128 0.000 0.966 234 D HN 0.474 nan 8.370 nan 0.000 0.456 235 K N 0.613 120.892 120.400 -0.201 0.000 2.034 235 K HA -0.200 4.115 4.320 -0.008 0.000 0.214 235 K C 2.135 178.605 176.600 -0.216 0.000 1.051 235 K CA 1.453 57.593 56.287 -0.245 0.000 0.931 235 K CB -0.168 32.177 32.500 -0.257 0.000 0.715 235 K HN 0.215 nan 8.250 nan 0.000 0.446 236 E N 0.400 120.509 120.200 -0.152 0.000 2.085 236 E HA -0.173 4.172 4.350 -0.008 0.000 0.194 236 E C 1.892 178.425 176.600 -0.112 0.000 0.994 236 E CA 1.080 57.416 56.400 -0.106 0.000 0.801 236 E CB -0.036 29.624 29.700 -0.067 0.000 0.743 236 E HN 0.276 nan 8.360 nan 0.000 0.453 237 N N 0.410 119.032 118.700 -0.131 0.000 2.250 237 N HA -0.047 4.688 4.740 -0.008 0.000 0.181 237 N C 1.911 177.317 175.510 -0.172 0.000 1.017 237 N CA 0.752 53.725 53.050 -0.128 0.000 0.866 237 N CB 0.026 38.449 38.487 -0.106 0.000 0.985 237 N HN 0.174 nan 8.380 nan 0.000 0.429 238 I N 0.989 121.394 120.570 -0.275 0.000 2.226 238 I HA -0.218 3.947 4.170 -0.008 0.000 0.245 238 I C 2.019 178.025 176.117 -0.184 0.000 1.100 238 I CA 0.876 61.964 61.300 -0.353 0.000 1.374 238 I CB -0.182 37.475 38.000 -0.572 0.000 1.057 238 I HN -0.001 nan 8.210 nan 0.000 0.413 239 I N 0.828 121.303 120.570 -0.158 0.000 2.179 239 I HA -0.309 3.856 4.170 -0.008 0.000 0.242 239 I C 2.778 178.859 176.117 -0.061 0.000 1.088 239 I CA 1.533 62.781 61.300 -0.088 0.000 1.357 239 I CB -0.453 37.506 38.000 -0.068 0.000 1.051 239 I HN 0.182 nan 8.210 nan 0.000 0.409 240 A N 0.347 123.125 122.820 -0.072 0.000 1.940 240 A HA -0.228 4.087 4.320 -0.008 0.000 0.219 240 A C 2.254 179.797 177.584 -0.068 0.000 1.176 240 A CA 1.738 53.739 52.037 -0.060 0.000 0.631 240 A CB -0.828 18.135 19.000 -0.063 0.000 0.814 240 A HN 0.416 nan 8.150 nan 0.000 0.446 241 L N 0.746 121.922 121.223 -0.078 0.000 2.093 241 L HA -0.113 4.222 4.340 -0.008 0.000 0.208 241 L C 2.696 179.513 176.870 -0.088 0.000 1.085 241 L CA 2.654 57.445 54.840 -0.081 0.000 0.755 241 L CB -0.584 41.450 42.059 -0.042 0.000 0.904 241 L HN 0.485 nan 8.230 nan 0.000 0.435 242 S N -1.216 114.457 115.700 -0.046 0.000 2.399 242 S HA -0.209 4.256 4.470 -0.008 0.000 0.231 242 S C 1.971 176.554 174.600 -0.029 0.000 1.022 242 S CA 1.263 59.452 58.200 -0.018 0.000 0.983 242 S CB -0.481 62.736 63.200 0.028 0.000 0.803 242 S HN 0.535 nan 8.310 nan 0.000 0.480 243 K N 1.597 121.978 120.400 -0.031 0.000 2.076 243 K HA 0.295 4.610 4.320 -0.008 0.000 0.204 243 K C 2.581 179.155 176.600 -0.044 0.000 1.051 243 K CA 0.879 57.155 56.287 -0.019 0.000 0.949 243 K CB -0.538 31.957 32.500 -0.009 0.000 0.726 243 K HN 0.420 nan 8.250 nan 0.000 0.443 244 A N 1.174 123.949 122.820 -0.074 0.000 1.917 244 A HA -0.158 4.157 4.320 -0.008 0.000 0.219 244 A C 2.005 179.509 177.584 -0.134 0.000 1.182 244 A CA 1.496 53.477 52.037 -0.094 0.000 0.633 244 A CB -0.575 18.361 19.000 -0.108 0.000 0.819 244 A HN 0.194 nan 8.150 nan 0.000 0.448 245 L N -1.769 119.320 121.223 -0.224 0.000 2.477 245 L HA 0.020 4.355 4.340 -0.008 0.000 0.220 245 L C 0.194 176.928 176.870 -0.227 0.000 1.106 245 L CA 0.028 54.625 54.840 -0.405 0.000 0.851 245 L CB -0.013 41.468 42.059 -0.962 0.000 0.994 245 L HN 0.361 nan 8.230 nan 0.000 0.462 246 Q N -0.189 119.579 119.800 -0.053 0.000 2.460 246 Q HA -0.225 4.110 4.340 -0.008 0.000 0.311 246 Q C -1.361 174.861 176.000 0.370 0.000 1.396 246 Q CA 0.886 56.768 55.803 0.132 0.000 0.838 246 Q CB -1.972 26.863 28.738 0.162 0.000 1.140 246 Q HN 0.297 nan 8.270 nan 0.000 0.415 247 Y N 0.224 120.590 120.300 0.110 0.000 2.360 247 Y HA 0.456 5.000 4.550 -0.009 0.000 0.337 247 Y C -1.647 174.239 175.900 -0.023 0.000 1.039 247 Y CA -3.140 55.024 58.100 0.108 0.000 1.109 247 Y CB 0.789 39.292 38.460 0.072 0.000 1.201 247 Y HN 0.025 nan 8.280 nan 0.000 0.458 248 P HA 0.198 nan 4.420 nan 0.000 0.272 248 P C -0.453 176.752 177.300 -0.157 0.000 1.223 248 P CA 0.113 63.092 63.100 -0.202 0.000 0.784 248 P CB 1.390 32.686 31.700 -0.674 0.000 0.923 249 I N 2.568 123.078 120.570 -0.099 0.000 2.359 249 I HA 0.216 4.381 4.170 -0.008 0.000 0.284 249 I C 0.539 176.577 176.117 -0.131 0.000 1.018 249 I CA -0.854 60.395 61.300 -0.086 0.000 1.173 249 I CB 0.816 38.800 38.000 -0.027 0.000 1.326 249 I HN 0.078 nan 8.210 nan 0.000 0.462 250 L N 6.351 127.414 121.223 -0.267 0.000 2.485 250 L HA 0.299 4.634 4.340 -0.008 0.000 0.279 250 L C 0.686 177.368 176.870 -0.314 0.000 1.124 250 L CA -0.143 54.417 54.840 -0.466 0.000 0.888 250 L CB 0.177 41.680 42.059 -0.927 0.000 1.217 250 L HN 0.637 nan 8.230 nan 0.000 0.464 251 A N 3.196 126.014 122.820 -0.004 0.000 2.280 251 A HA 0.264 4.579 4.320 -0.008 0.000 0.320 251 A C -0.121 177.575 177.584 0.186 0.000 1.366 251 A CA -0.626 51.449 52.037 0.063 0.000 0.938 251 A CB 0.272 19.315 19.000 0.071 0.000 1.157 251 A HN 0.761 nan 8.150 nan 0.000 0.536 252 D N 3.403 123.860 120.400 0.095 0.000 2.443 252 D HA 0.215 4.850 4.640 -0.008 0.000 0.239 252 D C -1.388 174.915 176.300 0.005 0.000 1.136 252 D CA -0.972 53.087 54.000 0.098 0.000 0.879 252 D CB 1.019 41.828 40.800 0.015 0.000 1.195 252 D HN 0.230 nan 8.370 nan 0.000 0.443 253 P HA -0.161 nan 4.420 nan 0.000 0.217 253 P C 0.919 178.140 177.300 -0.132 0.000 1.148 253 P CA 0.732 63.777 63.100 -0.091 0.000 0.834 253 P CB 0.151 31.750 31.700 -0.169 0.000 0.783 254 L N -0.776 120.358 121.223 -0.149 0.000 2.552 254 L HA 0.001 4.336 4.340 -0.008 0.000 0.227 254 L C 2.217 178.951 176.870 -0.226 0.000 1.146 254 L CA 1.405 56.123 54.840 -0.203 0.000 0.858 254 L CB -1.800 40.146 42.059 -0.189 0.000 0.969 254 L HN 0.051 nan 8.230 nan 0.000 0.451 255 S N -1.225 114.374 115.700 -0.169 0.000 2.423 255 S HA -0.167 4.298 4.470 -0.008 0.000 0.231 255 S C 1.257 175.735 174.600 -0.203 0.000 1.014 255 S CA 0.759 58.851 58.200 -0.181 0.000 0.965 255 S CB -0.325 62.799 63.200 -0.126 0.000 0.785 255 S HN 0.529 nan 8.310 nan 0.000 0.495 256 N N 0.288 118.883 118.700 -0.176 0.000 2.778 256 N HA -0.135 4.600 4.740 -0.008 0.000 0.249 256 N C 0.441 175.880 175.510 -0.118 0.000 1.069 256 N CA 1.035 53.983 53.050 -0.171 0.000 0.831 256 N CB -1.794 36.566 38.487 -0.211 0.000 1.142 256 N HN 0.509 nan 8.380 nan 0.000 0.573 257 L N 0.070 121.225 121.223 -0.113 0.000 2.465 257 L HA -0.035 4.300 4.340 -0.008 0.000 0.224 257 L C 2.079 179.075 176.870 0.209 0.000 1.145 257 L CA 0.787 55.593 54.840 -0.057 0.000 0.834 257 L CB -0.121 41.874 42.059 -0.105 0.000 0.944 257 L HN 0.135 nan 8.230 nan 0.000 0.451 258 R N 0.596 121.146 120.500 0.083 0.000 2.300 258 R HA 0.082 4.417 4.340 -0.008 0.000 0.199 258 R C -0.026 176.269 176.300 -0.007 0.000 0.920 258 R CA 0.290 56.437 56.100 0.078 0.000 1.046 258 R CB 0.099 30.457 30.300 0.097 0.000 0.984 258 R HN 0.471 nan 8.270 nan 0.000 0.493 259 N N 0.192 118.833 118.700 -0.099 0.000 2.726 259 N HA 0.229 4.964 4.740 -0.008 0.000 0.253 259 N C -0.618 174.750 175.510 -0.236 0.000 1.530 259 N CA -0.239 52.621 53.050 -0.315 0.000 0.772 259 N CB 1.788 39.700 38.487 -0.958 0.000 1.220 259 N HN 0.074 nan 8.380 nan 0.000 0.508 260 G N -0.725 107.975 108.800 -0.167 0.000 2.619 260 G HA2 0.362 4.317 3.960 -0.008 0.000 0.305 260 G HA3 0.362 4.317 3.960 -0.008 0.000 0.305 260 G C 0.369 175.081 174.900 -0.314 0.000 1.330 260 G CA -0.313 44.715 45.100 -0.120 0.000 0.789 260 G HN 0.132 nan 8.290 nan 0.000 0.487 261 V N -1.208 118.615 119.914 -0.152 0.000 3.506 261 V HA 0.225 4.340 4.120 -0.008 0.000 0.263 261 V C 1.281 177.276 176.094 -0.165 0.000 1.203 261 V CA 0.948 63.165 62.300 -0.138 0.000 1.133 261 V CB -1.550 30.254 31.823 -0.032 0.000 0.802 261 V HN 0.820 nan 8.190 nan 0.000 0.459 262 H N 0.658 119.711 119.070 -0.028 0.000 2.871 262 H HA 0.136 4.687 4.556 -0.008 0.000 0.377 262 H C -0.397 174.919 175.328 -0.019 0.000 1.307 262 H CA 0.285 56.316 56.048 -0.028 0.000 1.449 262 H CB 0.124 29.861 29.762 -0.042 0.000 1.452 262 H HN 0.338 nan 8.280 nan 0.000 0.619 263 D N 0.131 120.585 120.400 0.091 0.000 2.383 263 D HA 0.032 4.667 4.640 -0.008 0.000 0.252 263 D C 0.046 176.405 176.300 0.099 0.000 1.166 263 D CA -0.028 53.998 54.000 0.044 0.000 0.879 263 D CB 0.517 41.344 40.800 0.045 0.000 1.164 263 D HN 0.529 nan 8.370 nan 0.000 0.462 264 K N 1.159 121.580 120.400 0.036 0.000 2.414 264 K HA 0.047 4.362 4.320 -0.008 0.000 0.204 264 K C 1.561 178.202 176.600 0.069 0.000 1.026 264 K CA -0.046 56.285 56.287 0.074 0.000 1.108 264 K CB 0.446 32.953 32.500 0.012 0.000 0.855 264 K HN 0.353 nan 8.250 nan 0.000 0.517 265 S N -0.468 115.267 115.700 0.057 0.000 2.493 265 S HA -0.122 4.343 4.470 -0.008 0.000 0.243 265 S C 1.598 176.240 174.600 0.071 0.000 0.991 265 S CA 1.276 59.511 58.200 0.058 0.000 0.957 265 S CB -0.128 63.101 63.200 0.048 0.000 0.756 265 S HN 0.077 nan 8.310 nan 0.000 0.521 266 T N 0.882 115.479 114.554 0.072 0.000 2.971 266 T HA 0.309 4.653 4.350 -0.008 0.000 0.252 266 T C 0.261 175.001 174.700 0.067 0.000 1.022 266 T CA -0.166 61.973 62.100 0.066 0.000 0.980 266 T CB 0.233 69.131 68.868 0.051 0.000 1.044 266 T HN 0.180 nan 8.240 nan 0.000 0.501 267 V N 3.947 123.912 119.914 0.085 0.000 2.521 267 V HA 0.205 4.319 4.120 -0.008 0.000 0.286 267 V C -0.101 176.076 176.094 0.138 0.000 1.034 267 V CA -0.268 62.091 62.300 0.098 0.000 1.045 267 V CB 0.459 32.352 31.823 0.117 0.000 0.974 267 V HN 0.302 nan 8.190 nan 0.000 0.480 268 I N 5.426 126.093 120.570 0.163 0.000 2.354 268 I HA 0.348 4.513 4.170 -0.008 0.000 0.292 268 I C 0.517 176.846 176.117 0.354 0.000 0.989 268 I CA -0.482 60.989 61.300 0.286 0.000 1.188 268 I CB 1.472 39.679 38.000 0.345 0.000 1.342 268 I HN 0.828 nan 8.210 nan 0.000 0.457 269 D N 3.339 123.911 120.400 0.286 0.000 2.474 269 D HA 0.158 4.793 4.640 -0.008 0.000 0.213 269 D C 0.957 177.195 176.300 -0.103 0.000 1.120 269 D CA 0.050 54.141 54.000 0.151 0.000 0.836 269 D CB 0.636 41.515 40.800 0.132 0.000 1.019 269 D HN 0.395 nan 8.370 nan 0.000 0.507 270 A N -0.017 122.775 122.820 -0.046 0.000 2.470 270 A HA 0.209 4.524 4.320 -0.008 0.000 0.251 270 A C 1.292 178.372 177.584 -0.839 0.000 1.245 270 A CA -0.214 51.619 52.037 -0.339 0.000 0.932 270 A CB -0.941 17.973 19.000 -0.144 0.000 1.037 270 A HN 0.337 nan 8.150 nan 0.000 0.522 271 Y N -0.476 119.385 120.300 -0.732 0.000 2.181 271 Y HA -0.296 4.250 4.550 -0.008 0.000 0.284 271 Y C 1.547 176.937 175.900 -0.850 0.000 1.179 271 Y CA 1.584 58.950 58.100 -1.223 0.000 1.179 271 Y CB -0.843 37.385 38.460 -0.387 0.000 0.973 271 Y HN 0.343 nan 8.280 nan 0.000 0.519 272 D N 0.190 120.003 120.400 -0.979 0.000 2.144 272 D HA -0.148 4.487 4.640 -0.008 0.000 0.199 272 D C 1.942 177.973 176.300 -0.449 0.000 0.984 272 D CA 1.727 55.412 54.000 -0.525 0.000 0.834 272 D CB -0.079 40.395 40.800 -0.544 0.000 0.955 272 D HN 0.414 nan 8.370 nan 0.000 0.465 273 S N -0.877 114.466 115.700 -0.595 0.000 2.325 273 S HA -0.030 4.435 4.470 -0.008 0.000 0.214 273 S C 1.717 176.095 174.600 -0.370 0.000 1.031 273 S CA 0.903 58.839 58.200 -0.440 0.000 0.972 273 S CB -0.576 62.293 63.200 -0.552 0.000 0.908 273 S HN 0.561 nan 8.310 nan 0.000 0.453 274 F N 1.313 120.965 119.950 -0.496 0.000 2.451 274 F HA 0.229 4.751 4.527 -0.009 0.000 0.299 274 F C 1.445 177.094 175.800 -0.252 0.000 1.101 274 F CA 0.552 58.359 58.000 -0.323 0.000 1.436 274 F CB -0.571 38.224 39.000 -0.341 0.000 1.074 274 F HN 0.023 nan 8.300 nan 0.000 0.553 275 L N 0.700 121.684 121.223 -0.398 0.000 2.599 275 L HA 0.049 4.384 4.340 -0.008 0.000 0.230 275 L C 1.936 178.636 176.870 -0.283 0.000 1.141 275 L CA 0.448 55.084 54.840 -0.341 0.000 0.877 275 L CB -0.526 41.320 42.059 -0.355 0.000 1.009 275 L HN 0.180 nan 8.230 nan 0.000 0.447 276 K N -0.015 120.273 120.400 -0.187 0.000 2.365 276 K HA -0.083 4.232 4.320 -0.008 0.000 0.199 276 K C 0.333 176.864 176.600 -0.116 0.000 1.045 276 K CA 0.428 56.641 56.287 -0.123 0.000 0.962 276 K CB -0.049 32.413 32.500 -0.062 0.000 0.759 276 K HN 0.213 nan 8.250 nan 0.000 0.469 277 D N 0.879 121.206 120.400 -0.123 0.000 2.249 277 D HA 0.003 4.638 4.640 -0.008 0.000 0.246 277 D C 0.507 176.705 176.300 -0.170 0.000 1.114 277 D CA -0.222 53.711 54.000 -0.113 0.000 0.854 277 D CB 1.050 41.801 40.800 -0.082 0.000 1.132 277 D HN -0.083 nan 8.370 nan 0.000 0.461 278 D N 2.767 123.084 120.400 -0.139 0.000 2.178 278 D HA -0.173 4.462 4.640 -0.008 0.000 0.201 278 D C 1.269 177.475 176.300 -0.155 0.000 0.980 278 D CA 0.895 54.808 54.000 -0.144 0.000 0.842 278 D CB 0.294 41.039 40.800 -0.091 0.000 0.948 278 D HN 0.682 nan 8.370 nan 0.000 0.472 279 E N 0.421 120.528 120.200 -0.155 0.000 2.076 279 E HA -0.070 4.275 4.350 -0.008 0.000 0.190 279 E C 2.446 178.889 176.600 -0.262 0.000 0.979 279 E CA 0.144 56.437 56.400 -0.179 0.000 0.807 279 E CB 0.084 29.683 29.700 -0.167 0.000 0.761 279 E HN 0.188 nan 8.360 nan 0.000 0.454 280 L N 0.689 121.739 121.223 -0.289 0.000 2.083 280 L HA -0.184 4.151 4.340 -0.008 0.000 0.209 280 L C 2.687 179.343 176.870 -0.356 0.000 1.083 280 L CA 1.209 55.827 54.840 -0.371 0.000 0.752 280 L CB -0.329 41.563 42.059 -0.278 0.000 0.899 280 L HN 0.094 nan 8.230 nan 0.000 0.433 281 K N 0.187 120.375 120.400 -0.353 0.000 2.026 281 K HA -0.216 4.099 4.320 -0.008 0.000 0.208 281 K C 2.339 178.867 176.600 -0.121 0.000 1.048 281 K CA 1.252 57.263 56.287 -0.461 0.000 0.929 281 K CB -0.083 32.041 32.500 -0.626 0.000 0.713 281 K HN 0.060 nan 8.250 nan 0.000 0.439 282 R N 0.840 121.280 120.500 -0.099 0.000 2.091 282 R HA -0.173 4.162 4.340 -0.008 0.000 0.238 282 R C 1.781 178.086 176.300 0.009 0.000 1.136 282 R CA 1.887 57.984 56.100 -0.005 0.000 0.959 282 R CB 0.003 30.276 30.300 -0.046 0.000 0.856 282 R HN 0.119 nan 8.270 nan 0.000 0.437 283 K N -0.072 120.257 120.400 -0.117 0.000 2.103 283 K HA -0.024 4.291 4.320 -0.008 0.000 0.204 283 K C 1.755 178.350 176.600 -0.008 0.000 1.052 283 K CA 0.919 57.129 56.287 -0.128 0.000 0.945 283 K CB 0.104 32.336 32.500 -0.447 0.000 0.722 283 K HN 0.222 nan 8.250 nan 0.000 0.443 284 L N 0.965 122.134 121.223 -0.089 0.000 2.611 284 L HA 0.112 4.446 4.340 -0.008 0.000 0.229 284 L C 0.766 178.042 176.870 0.675 0.000 1.137 284 L CA -0.326 54.482 54.840 -0.055 0.000 0.901 284 L CB -0.013 41.611 42.059 -0.725 0.000 1.098 284 L HN 0.085 nan 8.230 nan 0.000 0.456 285 R N 3.165 124.052 120.500 0.645 0.000 2.458 285 R HA 0.106 4.441 4.340 -0.008 0.000 0.303 285 R C -2.351 174.230 176.300 0.468 0.000 1.013 285 R CA -1.090 55.415 56.100 0.676 0.000 1.026 285 R CB 0.507 31.076 30.300 0.449 0.000 0.948 285 R HN -0.074 nan 8.270 nan 0.000 0.417 286 P HA 0.185 nan 4.420 nan 0.000 0.287 286 P C -0.719 176.494 177.300 -0.145 0.000 1.270 286 P CA -0.499 62.620 63.100 0.032 0.000 0.844 286 P CB 1.180 32.908 31.700 0.047 0.000 1.068 287 D N -0.144 120.119 120.400 -0.230 0.000 2.137 287 D HA -0.007 4.628 4.640 -0.008 0.000 0.202 287 D C 0.719 176.917 176.300 -0.171 0.000 0.970 287 D CA 1.404 55.296 54.000 -0.181 0.000 0.837 287 D CB 0.089 40.781 40.800 -0.180 0.000 0.981 287 D HN 0.283 nan 8.370 nan 0.000 0.475 288 V N -1.439 118.348 119.914 -0.212 0.000 2.769 288 V HA 0.701 4.816 4.120 -0.008 0.000 0.312 288 V C -0.353 175.616 176.094 -0.207 0.000 1.061 288 V CA -0.874 61.326 62.300 -0.166 0.000 0.931 288 V CB 2.514 34.279 31.823 -0.097 0.000 1.010 288 V HN -0.227 nan 8.190 nan 0.000 0.433 289 V N 4.813 124.631 119.914 -0.159 0.000 2.656 289 V HA 0.570 4.685 4.120 -0.008 0.000 0.307 289 V C -0.321 175.701 176.094 -0.122 0.000 1.051 289 V CA -0.417 61.785 62.300 -0.163 0.000 0.893 289 V CB 1.831 33.535 31.823 -0.198 0.000 0.999 289 V HN 0.852 nan 8.190 nan 0.000 0.426 290 I N 4.505 125.018 120.570 -0.094 0.000 2.362 290 I HA 0.542 4.707 4.170 -0.008 0.000 0.289 290 I C 0.061 176.031 176.117 -0.245 0.000 0.994 290 I CA -0.530 60.670 61.300 -0.167 0.000 1.158 290 I CB 1.481 39.462 38.000 -0.032 0.000 1.315 290 I HN 0.436 nan 8.210 nan 0.000 0.451 291 R N 5.465 125.736 120.500 -0.382 0.000 2.393 291 R HA 0.640 4.975 4.340 -0.008 0.000 0.310 291 R C -1.418 174.556 176.300 -0.544 0.000 0.968 291 R CA -0.595 55.313 56.100 -0.320 0.000 0.867 291 R CB 1.829 31.992 30.300 -0.227 0.000 1.124 291 R HN 0.379 nan 8.270 nan 0.000 0.450 292 F N 0.460 120.340 119.950 -0.117 0.000 2.546 292 F HA 0.525 5.047 4.527 -0.009 0.000 0.320 292 F C 1.027 176.761 175.800 -0.108 0.000 1.076 292 F CA -0.055 57.876 58.000 -0.115 0.000 0.928 292 F CB 2.225 41.170 39.000 -0.091 0.000 1.189 292 F HN 0.782 nan 8.300 nan 0.000 0.465 293 G N 2.563 111.412 108.800 0.082 0.000 2.796 293 G HA2 -0.134 3.821 3.960 -0.008 0.000 0.226 293 G HA3 -0.134 3.821 3.960 -0.008 0.000 0.226 293 G C -2.947 171.939 174.900 -0.025 0.000 1.381 293 G CA -1.261 43.846 45.100 0.010 0.000 0.867 293 G HN 0.498 nan 8.290 nan 0.000 0.552 294 P HA 0.283 nan 4.420 nan 0.000 0.274 294 P C 0.574 177.855 177.300 -0.032 0.000 1.264 294 P CA -0.311 62.775 63.100 -0.024 0.000 0.795 294 P CB 0.283 31.976 31.700 -0.011 0.000 1.064 295 M N 0.846 120.429 119.600 -0.028 0.000 2.250 295 M HA 0.109 4.583 4.480 -0.008 0.000 0.337 295 M C -1.629 174.653 176.300 -0.029 0.000 1.161 295 M CA -1.138 54.147 55.300 -0.025 0.000 1.088 295 M CB -1.160 31.422 32.600 -0.028 0.000 1.639 295 M HN 0.300 nan 8.290 nan 0.000 0.447 296 P HA 0.128 nan 4.420 nan 0.000 0.274 296 P C 0.717 178.011 177.300 -0.009 0.000 1.256 296 P CA -0.395 62.700 63.100 -0.009 0.000 0.795 296 P CB 0.592 32.301 31.700 0.014 0.000 1.038 297 V N -0.582 119.321 119.914 -0.018 0.000 2.490 297 V HA -0.137 3.978 4.120 -0.008 0.000 0.250 297 V C 1.677 177.756 176.094 -0.024 0.000 1.061 297 V CA 1.768 64.038 62.300 -0.049 0.000 1.064 297 V CB -1.133 30.638 31.823 -0.087 0.000 0.670 297 V HN 0.700 nan 8.190 nan 0.000 0.461 298 S N 0.439 116.165 115.700 0.044 0.000 2.589 298 S HA -0.054 4.411 4.470 -0.008 0.000 0.306 298 S C 1.376 176.031 174.600 0.093 0.000 1.221 298 S CA 0.042 58.286 58.200 0.072 0.000 1.159 298 S CB 0.049 63.393 63.200 0.240 0.000 0.990 298 S HN 0.502 nan 8.310 nan 0.000 0.514 299 K N 5.478 125.909 120.400 0.052 0.000 2.063 299 K HA -0.047 4.268 4.320 -0.008 0.000 0.208 299 K C -1.021 175.686 176.600 0.178 0.000 1.048 299 K CA 1.528 57.892 56.287 0.129 0.000 0.928 299 K CB -0.782 31.758 32.500 0.067 0.000 0.713 299 K HN 0.470 nan 8.250 nan 0.000 0.442 300 P HA -0.148 nan 4.420 nan 0.000 0.218 300 P C 1.259 178.661 177.300 0.171 0.000 1.148 300 P CA 0.969 64.116 63.100 0.079 0.000 0.822 300 P CB 0.116 31.811 31.700 -0.010 0.000 0.784 301 V N -1.038 119.009 119.914 0.222 0.000 2.379 301 V HA -0.208 3.907 4.120 -0.008 0.000 0.245 301 V C 2.134 178.377 176.094 0.249 0.000 1.044 301 V CA 1.450 63.920 62.300 0.284 0.000 1.036 301 V CB -1.273 30.664 31.823 0.190 0.000 0.664 301 V HN 0.027 nan 8.190 nan 0.000 0.453 302 F N 1.168 121.175 119.950 0.095 0.000 2.043 302 F HA -0.242 4.280 4.527 -0.009 0.000 0.297 302 F C 2.038 177.896 175.800 0.096 0.000 1.121 302 F CA 1.965 60.005 58.000 0.065 0.000 1.199 302 F CB -0.665 38.358 39.000 0.038 0.000 0.968 302 F HN 0.047 nan 8.300 nan 0.000 0.478 303 L N -1.275 119.805 121.223 -0.238 0.000 2.079 303 L HA -0.242 4.093 4.340 -0.008 0.000 0.210 303 L C 2.375 179.198 176.870 -0.079 0.000 1.081 303 L CA 1.451 56.097 54.840 -0.323 0.000 0.752 303 L CB -1.099 40.918 42.059 -0.069 0.000 0.896 303 L HN 0.417 nan 8.230 nan 0.000 0.433 304 W N 1.188 122.403 121.300 -0.142 0.000 2.311 304 W HA -0.226 4.429 4.660 -0.007 0.000 0.326 304 W C 2.357 178.813 176.519 -0.105 0.000 1.239 304 W CA 1.573 58.868 57.345 -0.084 0.000 1.258 304 W CB -0.800 28.648 29.460 -0.020 0.000 1.165 304 W HN -0.006 nan 8.180 nan 0.000 0.466 305 L N 0.400 121.594 121.223 -0.049 0.000 2.079 305 L HA -0.236 4.099 4.340 -0.008 0.000 0.210 305 L C 2.717 179.489 176.870 -0.163 0.000 1.081 305 L CA 1.594 56.323 54.840 -0.184 0.000 0.752 305 L CB -0.995 40.984 42.059 -0.133 0.000 0.896 305 L HN -0.065 nan 8.230 nan 0.000 0.433 306 K N 0.093 120.346 120.400 -0.245 0.000 2.057 306 K HA -0.155 4.160 4.320 -0.008 0.000 0.206 306 K C 1.348 177.859 176.600 -0.149 0.000 1.050 306 K CA 1.447 57.574 56.287 -0.267 0.000 0.935 306 K CB 0.020 32.157 32.500 -0.605 0.000 0.715 306 K HN 0.299 nan 8.250 nan 0.000 0.439 307 D N 0.378 120.713 120.400 -0.109 0.000 2.348 307 D HA -0.059 4.576 4.640 -0.008 0.000 0.211 307 D C -0.030 176.272 176.300 0.004 0.000 0.998 307 D CA 0.604 54.583 54.000 -0.036 0.000 0.873 307 D CB 0.220 41.016 40.800 -0.006 0.000 0.925 307 D HN 0.104 nan 8.370 nan 0.000 0.524 308 D N 0.435 120.831 120.400 -0.005 0.000 2.456 308 D HA 0.115 4.750 4.640 -0.008 0.000 0.287 308 D C -1.787 174.473 176.300 -0.068 0.000 1.186 308 D CA -2.070 51.921 54.000 -0.015 0.000 0.916 308 D CB 1.265 42.076 40.800 0.017 0.000 1.029 308 D HN -0.092 nan 8.370 nan 0.000 0.498 309 P HA -0.102 nan 4.420 nan 0.000 0.228 309 P C 1.190 178.454 177.300 -0.061 0.000 1.151 309 P CA 0.844 63.910 63.100 -0.058 0.000 0.770 309 P CB -0.135 31.544 31.700 -0.036 0.000 0.786 310 T N -3.288 111.233 114.554 -0.055 0.000 3.118 310 T HA 0.055 4.400 4.350 -0.008 0.000 0.260 310 T C 0.934 175.589 174.700 -0.077 0.000 1.139 310 T CA -0.043 62.025 62.100 -0.053 0.000 1.085 310 T CB -0.899 67.948 68.868 -0.034 0.000 0.934 310 T HN 0.001 nan 8.240 nan 0.000 0.518 311 I N 2.982 123.483 120.570 -0.115 0.000 2.494 311 I HA 0.103 4.268 4.170 -0.008 0.000 0.289 311 I C 0.149 176.186 176.117 -0.134 0.000 1.106 311 I CA -0.364 60.839 61.300 -0.162 0.000 1.369 311 I CB 0.496 38.330 38.000 -0.278 0.000 1.410 311 I HN 0.152 nan 8.210 nan 0.000 0.523 312 Q N 7.344 127.082 119.800 -0.104 0.000 2.307 312 Q HA 0.235 4.570 4.340 -0.008 0.000 0.259 312 Q C -0.572 175.391 176.000 -0.063 0.000 0.998 312 Q CA 0.013 55.780 55.803 -0.059 0.000 0.923 312 Q CB 1.066 29.796 28.738 -0.012 0.000 1.196 312 Q HN 0.570 nan 8.270 nan 0.000 0.416 313 Q N 2.345 122.109 119.800 -0.060 0.000 2.245 313 Q HA 0.592 4.926 4.340 -0.008 0.000 0.256 313 Q C -0.377 175.600 176.000 -0.039 0.000 0.942 313 Q CA -0.431 55.322 55.803 -0.083 0.000 0.896 313 Q CB 1.588 30.259 28.738 -0.112 0.000 1.272 313 Q HN 0.502 nan 8.270 nan 0.000 0.442 314 I N 2.081 122.589 120.570 -0.103 0.000 2.411 314 I HA 0.290 4.455 4.170 -0.008 0.000 0.284 314 I C -0.843 175.094 176.117 -0.301 0.000 1.012 314 I CA -0.887 60.323 61.300 -0.151 0.000 1.119 314 I CB 1.732 39.623 38.000 -0.182 0.000 1.261 314 I HN 0.260 nan 8.210 nan 0.000 0.448 315 V N 7.460 127.189 119.914 -0.309 0.000 2.370 315 V HA 0.396 4.511 4.120 -0.008 0.000 0.279 315 V C 0.007 175.841 176.094 -0.434 0.000 1.029 315 V CA -0.456 61.622 62.300 -0.370 0.000 0.870 315 V CB 1.487 33.116 31.823 -0.324 0.000 0.984 315 V HN 0.427 nan 8.190 nan 0.000 0.451 316 I N 4.649 124.885 120.570 -0.557 0.000 2.336 316 I HA 0.464 4.628 4.170 -0.008 0.000 0.292 316 I C -0.194 175.771 176.117 -0.254 0.000 0.991 316 I CA 0.288 61.291 61.300 -0.495 0.000 1.227 316 I CB 1.355 38.911 38.000 -0.739 0.000 1.366 316 I HN 0.523 nan 8.210 nan 0.000 0.466 317 D N 5.404 125.708 120.400 -0.160 0.000 2.336 317 D HA 0.092 4.727 4.640 -0.008 0.000 0.248 317 D C 0.672 176.919 176.300 -0.089 0.000 1.326 317 D CA -0.302 53.628 54.000 -0.116 0.000 0.973 317 D CB 1.026 41.732 40.800 -0.157 0.000 1.255 317 D HN 0.635 nan 8.370 nan 0.000 0.558 318 E N 1.943 122.119 120.200 -0.039 0.000 2.118 318 E HA -0.197 4.148 4.350 -0.008 0.000 0.195 318 E C 0.266 176.832 176.600 -0.057 0.000 0.992 318 E CA 1.107 57.496 56.400 -0.017 0.000 0.804 318 E CB 0.417 30.125 29.700 0.013 0.000 0.741 318 E HN 0.418 nan 8.360 nan 0.000 0.458 319 D N -1.109 119.240 120.400 -0.085 0.000 2.312 319 D HA -0.015 4.620 4.640 -0.008 0.000 0.211 319 D C 1.271 177.466 176.300 -0.176 0.000 0.964 319 D CA 1.099 55.042 54.000 -0.096 0.000 0.877 319 D CB 0.153 40.909 40.800 -0.073 0.000 0.924 319 D HN 0.408 nan 8.370 nan 0.000 0.515 320 G N -0.165 108.415 108.800 -0.366 0.000 2.141 320 G HA2 -0.185 3.770 3.960 -0.008 0.000 0.242 320 G HA3 -0.185 3.770 3.960 -0.008 0.000 0.242 320 G C 0.795 175.423 174.900 -0.454 0.000 0.982 320 G CA 0.192 44.834 45.100 -0.762 0.000 0.662 320 G HN 0.647 nan 8.290 nan 0.000 0.527 321 G N -1.471 107.196 108.800 -0.222 0.000 2.516 321 G HA2 0.389 4.343 3.960 -0.008 0.000 0.276 321 G HA3 0.389 4.343 3.960 -0.008 0.000 0.276 321 G C -0.114 174.849 174.900 0.105 0.000 1.390 321 G CA 0.023 45.113 45.100 -0.017 0.000 1.050 321 G HN 0.676 nan 8.290 nan 0.000 0.519 322 W N 0.681 121.977 121.300 -0.005 0.000 1.949 322 W HA 0.424 5.079 4.660 -0.008 0.000 0.299 322 W C -0.539 175.998 176.519 0.029 0.000 0.959 322 W CA -0.765 56.597 57.345 0.028 0.000 1.665 322 W CB 0.346 29.836 29.460 0.050 0.000 1.829 322 W HN 0.345 nan 8.180 nan 0.000 0.375 323 R N 2.958 123.490 120.500 0.054 0.000 2.287 323 R HA 0.210 4.545 4.340 -0.008 0.000 0.327 323 R C -0.726 175.580 176.300 0.011 0.000 1.109 323 R CA -0.031 56.111 56.100 0.071 0.000 1.013 323 R CB 0.661 30.977 30.300 0.026 0.000 1.126 323 R HN 0.048 nan 8.270 nan 0.000 0.503 324 D N 2.943 123.418 120.400 0.125 0.000 2.634 324 D HA 0.094 4.729 4.640 -0.008 0.000 0.236 324 D C -1.974 174.451 176.300 0.209 0.000 1.323 324 D CA -1.412 52.657 54.000 0.115 0.000 0.884 324 D CB 1.235 42.058 40.800 0.038 0.000 1.496 324 D HN 0.182 nan 8.370 nan 0.000 0.525 325 P HA -0.013 nan 4.420 nan 0.000 0.242 325 P C 1.056 178.577 177.300 0.369 0.000 1.197 325 P CA 0.527 63.743 63.100 0.193 0.000 0.765 325 P CB -0.001 31.693 31.700 -0.010 0.000 0.936 326 T N -4.436 110.324 114.554 0.342 0.000 3.081 326 T HA -0.038 4.307 4.350 -0.008 0.000 0.255 326 T C 1.168 175.953 174.700 0.142 0.000 1.113 326 T CA 0.113 62.359 62.100 0.243 0.000 1.082 326 T CB -0.623 68.304 68.868 0.098 0.000 0.939 326 T HN -0.010 nan 8.240 nan 0.000 0.506 327 Q N -0.429 119.473 119.800 0.170 0.000 2.377 327 Q HA -0.262 4.073 4.340 -0.008 0.000 0.234 327 Q C 1.150 177.208 176.000 0.098 0.000 0.847 327 Q CA 1.167 57.059 55.803 0.148 0.000 1.280 327 Q CB -2.239 26.563 28.738 0.107 0.000 1.717 327 Q HN 0.860 nan 8.270 nan 0.000 0.579 328 A N -0.102 122.757 122.820 0.065 0.000 2.390 328 A HA 0.255 4.570 4.320 -0.008 0.000 0.232 328 A C 0.887 178.463 177.584 -0.013 0.000 1.233 328 A CA 0.534 52.578 52.037 0.012 0.000 0.907 328 A CB 0.368 19.353 19.000 -0.025 0.000 0.967 328 A HN 0.429 nan 8.150 nan 0.000 0.512 329 S N -0.743 114.955 115.700 -0.004 0.000 2.573 329 S HA 0.466 4.931 4.470 -0.008 0.000 0.277 329 S C 0.915 175.464 174.600 -0.085 0.000 1.346 329 S CA 0.043 58.205 58.200 -0.062 0.000 1.034 329 S CB 1.465 64.597 63.200 -0.113 0.000 0.879 329 S HN 0.878 nan 8.310 nan 0.000 0.528 330 A N 0.756 123.498 122.820 -0.131 0.000 2.167 330 A HA 0.296 4.611 4.320 -0.008 0.000 0.208 330 A C 0.533 177.768 177.584 -0.582 0.000 1.198 330 A CA -0.055 51.811 52.037 -0.285 0.000 0.863 330 A CB -0.044 18.818 19.000 -0.229 0.000 0.904 330 A HN 0.906 nan 8.150 nan 0.000 0.484 331 H N -0.728 118.265 119.070 -0.127 0.000 2.856 331 H HA 0.372 4.923 4.556 -0.009 0.000 0.355 331 H C -1.262 173.918 175.328 -0.248 0.000 1.079 331 H CA -0.640 55.315 56.048 -0.155 0.000 1.240 331 H CB 1.240 30.922 29.762 -0.134 0.000 1.701 331 H HN 0.126 nan 8.280 nan 0.000 0.527 332 M N 4.306 123.791 119.600 -0.192 0.000 2.047 332 M HA 0.287 4.762 4.480 -0.008 0.000 0.342 332 M C -0.476 175.700 176.300 -0.207 0.000 1.058 332 M CA -0.629 54.489 55.300 -0.305 0.000 0.991 332 M CB 1.065 33.337 32.600 -0.546 0.000 1.474 332 M HN 0.398 nan 8.290 nan 0.000 0.419 333 I N 3.941 124.407 120.570 -0.174 0.000 2.307 333 I HA 0.216 4.381 4.170 -0.008 0.000 0.289 333 I C 0.415 176.543 176.117 0.018 0.000 1.021 333 I CA -0.328 60.893 61.300 -0.132 0.000 1.224 333 I CB 0.004 37.867 38.000 -0.227 0.000 1.376 333 I HN 0.587 nan 8.210 nan 0.000 0.470 334 H N 4.988 124.004 119.070 -0.089 0.000 3.045 334 H HA 0.273 4.823 4.556 -0.009 0.000 0.254 334 H C -0.177 175.135 175.328 -0.026 0.000 1.747 334 H CA -0.220 55.795 56.048 -0.055 0.000 1.444 334 H CB 0.727 30.479 29.762 -0.018 0.000 1.778 334 H HN 0.553 nan 8.280 nan 0.000 0.544 335 C N 3.587 122.931 119.300 0.074 0.000 2.880 335 C HA 0.164 4.619 4.460 -0.008 0.000 0.320 335 C C -0.009 175.028 174.990 0.078 0.000 1.176 335 C CA -1.047 58.018 59.018 0.078 0.000 1.390 335 C CB 1.261 29.062 27.740 0.103 0.000 1.846 335 C HN 0.854 nan 8.230 nan 0.000 0.478 336 N N 2.436 121.190 118.700 0.089 0.000 2.357 336 N HA 0.021 4.756 4.740 -0.008 0.000 0.257 336 N C 1.097 176.706 175.510 0.165 0.000 1.250 336 N CA 0.922 54.029 53.050 0.095 0.000 0.862 336 N CB 1.388 39.917 38.487 0.071 0.000 1.066 336 N HN 0.890 nan 8.380 nan 0.000 0.468 337 A N 3.723 126.646 122.820 0.172 0.000 1.902 337 A HA -0.129 4.186 4.320 -0.008 0.000 0.217 337 A C 2.346 180.051 177.584 0.203 0.000 1.181 337 A CA 1.641 53.850 52.037 0.286 0.000 0.623 337 A CB -0.573 18.531 19.000 0.172 0.000 0.818 337 A HN 0.763 nan 8.150 nan 0.000 0.443 338 S N -0.573 115.173 115.700 0.076 0.000 2.368 338 S HA -0.118 4.347 4.470 -0.008 0.000 0.225 338 S C 1.933 176.567 174.600 0.056 0.000 1.030 338 S CA 1.382 59.599 58.200 0.028 0.000 0.999 338 S CB -0.438 62.759 63.200 -0.004 0.000 0.844 338 S HN 0.343 nan 8.310 nan 0.000 0.459 339 V N 1.548 121.513 119.914 0.084 0.000 2.261 339 V HA -0.181 3.934 4.120 -0.008 0.000 0.246 339 V C 1.901 178.054 176.094 0.099 0.000 1.047 339 V CA 2.030 64.374 62.300 0.074 0.000 1.015 339 V CB -0.795 31.073 31.823 0.076 0.000 0.642 339 V HN 0.533 nan 8.190 nan 0.000 0.446 340 F N 1.658 121.636 119.950 0.047 0.000 2.087 340 F HA -0.282 4.240 4.527 -0.009 0.000 0.299 340 F C 2.265 178.099 175.800 0.056 0.000 1.100 340 F CA 1.858 59.893 58.000 0.058 0.000 1.226 340 F CB -0.714 38.349 39.000 0.106 0.000 0.983 340 F HN 0.076 nan 8.300 nan 0.000 0.479 341 A N -0.011 122.811 122.820 0.003 0.000 1.883 341 A HA -0.224 4.091 4.320 -0.008 0.000 0.217 341 A C 2.115 179.587 177.584 -0.185 0.000 1.186 341 A CA 1.951 53.912 52.037 -0.127 0.000 0.624 341 A CB -1.010 17.983 19.000 -0.011 0.000 0.822 341 A HN 0.591 nan 8.150 nan 0.000 0.444 342 E N -0.473 119.660 120.200 -0.111 0.000 2.077 342 E HA -0.176 4.169 4.350 -0.008 0.000 0.193 342 E C 2.079 178.600 176.600 -0.131 0.000 0.989 342 E CA 1.140 57.480 56.400 -0.100 0.000 0.800 342 E CB -0.107 29.559 29.700 -0.057 0.000 0.746 342 E HN 0.515 nan 8.360 nan 0.000 0.452 343 E N 0.577 120.685 120.200 -0.153 0.000 2.058 343 E HA -0.189 4.156 4.350 -0.008 0.000 0.194 343 E C 2.150 178.618 176.600 -0.220 0.000 0.997 343 E CA 0.814 57.118 56.400 -0.160 0.000 0.801 343 E CB -0.138 29.482 29.700 -0.134 0.000 0.746 343 E HN 0.273 nan 8.360 nan 0.000 0.450 344 I N 0.771 121.121 120.570 -0.367 0.000 2.179 344 I HA -0.235 3.930 4.170 -0.008 0.000 0.242 344 I C 2.542 178.529 176.117 -0.217 0.000 1.088 344 I CA 1.161 62.256 61.300 -0.341 0.000 1.357 344 I CB -1.068 36.637 38.000 -0.492 0.000 1.051 344 I HN 0.143 nan 8.210 nan 0.000 0.409 345 M N 0.473 119.955 119.600 -0.197 0.000 2.149 345 M HA -0.184 4.291 4.480 -0.008 0.000 0.261 345 M C 2.397 178.633 176.300 -0.107 0.000 1.064 345 M CA 2.051 57.268 55.300 -0.138 0.000 1.102 345 M CB -0.459 32.069 32.600 -0.118 0.000 1.369 345 M HN 0.260 nan 8.290 nan 0.000 0.408 346 A N 0.075 122.833 122.820 -0.104 0.000 2.019 346 A HA -0.030 4.285 4.320 -0.008 0.000 0.219 346 A C 2.203 179.743 177.584 -0.073 0.000 1.164 346 A CA 1.764 53.754 52.037 -0.078 0.000 0.644 346 A CB -1.143 17.814 19.000 -0.070 0.000 0.805 346 A HN 0.577 nan 8.150 nan 0.000 0.449 347 G N -1.205 107.542 108.800 -0.088 0.000 3.042 347 G HA2 0.368 4.323 3.960 -0.008 0.000 0.212 347 G HA3 0.368 4.323 3.960 -0.008 0.000 0.212 347 G C 0.447 175.304 174.900 -0.071 0.000 1.166 347 G CA -0.313 44.742 45.100 -0.075 0.000 0.767 347 G HN 0.368 nan 8.290 nan 0.000 0.546 348 L N 1.985 123.160 121.223 -0.079 0.000 2.371 348 L HA 0.308 4.643 4.340 -0.008 0.000 0.272 348 L C 1.305 178.143 176.870 -0.054 0.000 1.124 348 L CA -0.669 54.128 54.840 -0.071 0.000 0.816 348 L CB 1.289 43.296 42.059 -0.086 0.000 1.129 348 L HN 0.142 nan 8.230 nan 0.000 0.448 349 T N -0.784 113.743 114.554 -0.044 0.000 2.788 349 T HA 0.258 4.603 4.350 -0.008 0.000 0.287 349 T C 1.039 175.719 174.700 -0.032 0.000 1.007 349 T CA -0.122 61.958 62.100 -0.034 0.000 1.005 349 T CB 1.308 70.160 68.868 -0.026 0.000 1.012 349 T HN 0.658 nan 8.240 nan 0.000 0.530 350 A N 0.578 123.382 122.820 -0.026 0.000 2.167 350 A HA 0.511 4.826 4.320 -0.008 0.000 0.214 350 A C 1.587 179.160 177.584 -0.018 0.000 1.151 350 A CA 0.411 52.434 52.037 -0.023 0.000 0.735 350 A CB -1.259 17.730 19.000 -0.019 0.000 0.802 350 A HN 1.378 nan 8.150 nan 0.000 0.467 351 A N 0.575 123.385 122.820 -0.017 0.000 2.565 351 A HA 0.373 4.688 4.320 -0.008 0.000 0.237 351 A C 0.737 178.316 177.584 -0.008 0.000 1.053 351 A CA 0.346 52.377 52.037 -0.010 0.000 0.755 351 A CB -0.539 18.456 19.000 -0.009 0.000 0.980 351 A HN 0.384 nan 8.150 nan 0.000 0.506 352 T N 4.188 118.741 114.554 -0.002 0.000 2.849 352 T HA 0.024 4.369 4.350 -0.008 0.000 0.289 352 T C 0.663 175.369 174.700 0.010 0.000 1.010 352 T CA 0.457 62.560 62.100 0.005 0.000 1.161 352 T CB -0.131 68.743 68.868 0.010 0.000 0.989 352 T HN 0.531 nan 8.240 nan 0.000 0.523 353 R N 2.639 123.146 120.500 0.012 0.000 2.298 353 R HA 0.198 4.533 4.340 -0.008 0.000 0.310 353 R C 0.627 176.958 176.300 0.051 0.000 1.068 353 R CA -0.185 55.930 56.100 0.025 0.000 0.957 353 R CB 1.138 31.446 30.300 0.013 0.000 1.003 353 R HN 0.670 nan 8.270 nan 0.000 0.454 354 S N 1.037 116.778 115.700 0.068 0.000 2.549 354 S HA -0.017 4.448 4.470 -0.008 0.000 0.286 354 S C 1.113 175.793 174.600 0.133 0.000 1.314 354 S CA -0.072 58.182 58.200 0.090 0.000 1.062 354 S CB 0.538 63.794 63.200 0.093 0.000 0.865 354 S HN 0.644 nan 8.310 nan 0.000 0.498 355 S N 2.731 118.506 115.700 0.125 0.000 2.554 355 S HA 0.267 4.732 4.470 -0.008 0.000 0.226 355 S C 0.999 175.700 174.600 0.168 0.000 0.980 355 S CA -0.352 57.937 58.200 0.149 0.000 0.939 355 S CB -0.052 63.211 63.200 0.105 0.000 0.832 355 S HN 0.808 nan 8.310 nan 0.000 0.486 356 E N 1.219 121.522 120.200 0.172 0.000 2.051 356 E HA -0.133 4.212 4.350 -0.008 0.000 0.192 356 E C 1.549 178.297 176.600 0.248 0.000 0.991 356 E CA 1.348 57.845 56.400 0.162 0.000 0.799 356 E CB -0.207 29.572 29.700 0.132 0.000 0.748 356 E HN 0.779 nan 8.360 nan 0.000 0.449 357 W N 1.458 122.851 121.300 0.154 0.000 2.317 357 W HA -0.277 4.379 4.660 -0.007 0.000 0.318 357 W C 2.033 178.754 176.519 0.337 0.000 1.227 357 W CA 1.073 58.560 57.345 0.237 0.000 1.269 357 W CB -0.326 29.269 29.460 0.225 0.000 1.155 357 W HN 0.174 nan 8.180 nan 0.000 0.484 358 L N 1.847 123.218 121.223 0.246 0.000 2.083 358 L HA -0.178 4.157 4.340 -0.008 0.000 0.209 358 L C 2.231 179.183 176.870 0.136 0.000 1.083 358 L CA 2.305 57.224 54.840 0.132 0.000 0.752 358 L CB -1.071 41.092 42.059 0.174 0.000 0.899 358 L HN 0.004 nan 8.230 nan 0.000 0.433 359 E N -0.634 119.642 120.200 0.126 0.000 2.150 359 E HA -0.215 4.130 4.350 -0.008 0.000 0.193 359 E C 2.089 178.749 176.600 0.100 0.000 0.985 359 E CA 1.045 57.510 56.400 0.107 0.000 0.814 359 E CB -0.040 29.700 29.700 0.068 0.000 0.752 359 E HN 0.507 nan 8.360 nan 0.000 0.466 360 K N -0.122 120.305 120.400 0.045 0.000 2.032 360 K HA -0.182 4.133 4.320 -0.008 0.000 0.209 360 K C 1.788 178.429 176.600 0.069 0.000 1.048 360 K CA 1.513 57.819 56.287 0.031 0.000 0.927 360 K CB -0.182 32.306 32.500 -0.019 0.000 0.712 360 K HN 0.194 nan 8.250 nan 0.000 0.441 361 W N 1.634 122.863 121.300 -0.119 0.000 2.379 361 W HA -0.133 4.522 4.660 -0.008 0.000 0.307 361 W C 2.483 179.003 176.519 0.001 0.000 1.200 361 W CA 0.660 57.946 57.345 -0.098 0.000 1.297 361 W CB -0.173 29.197 29.460 -0.151 0.000 1.140 361 W HN 0.089 nan 8.180 nan 0.000 0.507 362 Q N -0.695 119.265 119.800 0.267 0.000 2.167 362 Q HA -0.188 4.147 4.340 -0.008 0.000 0.202 362 Q C 2.086 178.182 176.000 0.160 0.000 0.970 362 Q CA 1.413 57.334 55.803 0.196 0.000 0.855 362 Q CB -1.164 27.670 28.738 0.160 0.000 0.911 362 Q HN 0.419 nan 8.270 nan 0.000 0.438 363 F N 0.953 120.922 119.950 0.031 0.000 2.046 363 F HA -0.246 4.277 4.527 -0.007 0.000 0.297 363 F C 2.227 178.027 175.800 -0.001 0.000 1.123 363 F CA 1.256 59.261 58.000 0.009 0.000 1.199 363 F CB -0.300 38.684 39.000 -0.025 0.000 0.972 363 F HN -0.189 nan 8.300 nan 0.000 0.474 364 V N 0.690 120.704 119.914 0.167 0.000 2.252 364 V HA -0.397 3.718 4.120 -0.008 0.000 0.249 364 V C 2.143 178.062 176.094 -0.293 0.000 1.056 364 V CA 2.493 64.686 62.300 -0.178 0.000 1.022 364 V CB -1.067 30.389 31.823 -0.612 0.000 0.641 364 V HN 0.470 nan 8.190 nan 0.000 0.445 365 N N 0.030 118.616 118.700 -0.190 0.000 2.069 365 N HA -0.137 4.598 4.740 -0.008 0.000 0.191 365 N C 1.863 177.443 175.510 0.115 0.000 1.031 365 N CA 1.638 54.726 53.050 0.065 0.000 0.852 365 N CB -0.494 38.140 38.487 0.245 0.000 1.018 365 N HN 0.441 nan 8.380 nan 0.000 0.423 366 G N 0.368 109.187 108.800 0.031 0.000 2.421 366 G HA2 -0.235 3.720 3.960 -0.008 0.000 0.216 366 G HA3 -0.235 3.720 3.960 -0.008 0.000 0.216 366 G C 1.578 176.451 174.900 -0.046 0.000 1.171 366 G CA 0.400 45.501 45.100 0.002 0.000 0.775 366 G HN 0.165 nan 8.290 nan 0.000 0.543 367 R N -0.117 120.274 120.500 -0.183 0.000 2.096 367 R HA -0.014 4.321 4.340 -0.008 0.000 0.235 367 R C 2.191 178.485 176.300 -0.010 0.000 1.127 367 R CA 0.812 56.801 56.100 -0.185 0.000 0.968 367 R CB -1.392 28.684 30.300 -0.372 0.000 0.861 367 R HN 0.497 nan 8.270 nan 0.000 0.440 368 F N 1.952 121.855 119.950 -0.078 0.000 2.069 368 F HA -0.204 4.320 4.527 -0.005 0.000 0.298 368 F C 2.230 178.073 175.800 0.073 0.000 1.113 368 F CA 1.570 59.581 58.000 0.020 0.000 1.214 368 F CB 0.046 39.092 39.000 0.076 0.000 0.978 368 F HN -0.150 nan 8.300 nan 0.000 0.474 369 R N 0.860 121.524 120.500 0.273 0.000 2.092 369 R HA -0.104 4.231 4.340 -0.008 0.000 0.231 369 R C 2.083 178.405 176.300 0.036 0.000 1.119 369 R CA 1.564 57.771 56.100 0.178 0.000 0.970 369 R CB -0.935 29.496 30.300 0.219 0.000 0.864 369 R HN 0.502 nan 8.270 nan 0.000 0.440 370 E N -0.642 119.569 120.200 0.018 0.000 2.051 370 E HA -0.211 4.134 4.350 -0.008 0.000 0.192 370 E C 1.896 178.473 176.600 -0.038 0.000 0.991 370 E CA 1.231 57.624 56.400 -0.013 0.000 0.799 370 E CB -0.267 29.421 29.700 -0.021 0.000 0.748 370 E HN 0.420 nan 8.360 nan 0.000 0.449 371 H N 0.533 119.525 119.070 -0.129 0.000 2.421 371 H HA -0.024 4.528 4.556 -0.007 0.000 0.298 371 H C 1.919 177.143 175.328 -0.173 0.000 1.087 371 H CA 1.119 57.077 56.048 -0.150 0.000 1.330 371 H CB 0.001 29.657 29.762 -0.176 0.000 1.388 371 H HN 0.058 nan 8.280 nan 0.000 0.526 372 L N -0.206 120.896 121.223 -0.201 0.000 2.156 372 L HA -0.159 4.176 4.340 -0.008 0.000 0.208 372 L C 2.434 179.221 176.870 -0.138 0.000 1.095 372 L CA 0.780 55.503 54.840 -0.196 0.000 0.770 372 L CB -0.269 41.689 42.059 -0.168 0.000 0.914 372 L HN 0.402 nan 8.230 nan 0.000 0.439 373 Q N -0.335 119.401 119.800 -0.107 0.000 2.112 373 Q HA -0.256 4.079 4.340 -0.008 0.000 0.206 373 Q C 2.231 178.160 176.000 -0.118 0.000 0.987 373 Q CA 2.442 58.196 55.803 -0.082 0.000 0.858 373 Q CB -0.405 28.297 28.738 -0.060 0.000 0.905 373 Q HN 0.612 nan 8.270 nan 0.000 0.420 374 T N -2.060 112.381 114.554 -0.189 0.000 3.035 374 T HA 0.032 4.377 4.350 -0.008 0.000 0.268 374 T C 1.081 175.664 174.700 -0.195 0.000 1.109 374 T CA 0.052 62.032 62.100 -0.200 0.000 1.119 374 T CB -0.180 68.525 68.868 -0.271 0.000 0.900 374 T HN 0.060 nan 8.240 nan 0.000 0.503 375 I N 2.725 123.173 120.570 -0.203 0.000 2.371 375 I HA 0.257 4.422 4.170 -0.008 0.000 0.290 375 I C 0.770 176.832 176.117 -0.091 0.000 1.028 375 I CA -0.712 60.499 61.300 -0.149 0.000 1.345 375 I CB 1.248 39.160 38.000 -0.148 0.000 1.407 375 I HN 0.148 nan 8.210 nan 0.000 0.501 376 S N 4.099 119.758 115.700 -0.068 0.000 2.572 376 S HA 0.095 4.560 4.470 -0.008 0.000 0.279 376 S C 0.893 175.495 174.600 0.003 0.000 1.341 376 S CA -0.103 58.080 58.200 -0.029 0.000 1.043 376 S CB 0.694 63.883 63.200 -0.018 0.000 0.887 376 S HN 0.745 nan 8.310 nan 0.000 0.516 377 S N 2.198 117.926 115.700 0.046 0.000 2.730 377 S HA 0.284 4.749 4.470 -0.008 0.000 0.244 377 S C 0.860 175.639 174.600 0.298 0.000 1.022 377 S CA -0.624 57.644 58.200 0.114 0.000 1.014 377 S CB 0.143 63.342 63.200 -0.002 0.000 0.963 377 S HN 0.696 nan 8.310 nan 0.000 0.540 378 E N 2.342 122.667 120.200 0.209 0.000 2.160 378 E HA -0.079 4.266 4.350 -0.008 0.000 0.195 378 E C 0.250 176.895 176.600 0.076 0.000 0.991 378 E CA 0.794 57.312 56.400 0.197 0.000 0.810 378 E CB -0.377 29.369 29.700 0.076 0.000 0.742 378 E HN 0.566 nan 8.360 nan 0.000 0.466 379 D N 0.645 121.106 120.400 0.102 0.000 2.342 379 D HA -0.014 4.621 4.640 -0.008 0.000 0.260 379 D C 0.898 177.207 176.300 0.016 0.000 1.278 379 D CA -0.028 53.992 54.000 0.033 0.000 0.910 379 D CB 0.841 41.687 40.800 0.077 0.000 1.079 379 D HN -0.252 nan 8.370 nan 0.000 0.496 380 V N 3.227 122.986 119.914 -0.258 0.000 3.141 380 V HA -0.166 3.949 4.120 -0.008 0.000 0.265 380 V C 2.232 178.235 176.094 -0.151 0.000 1.126 380 V CA 1.722 63.750 62.300 -0.453 0.000 1.141 380 V CB -0.494 30.842 31.823 -0.811 0.000 0.743 380 V HN 0.639 nan 8.190 nan 0.000 0.492 381 S N -0.749 114.928 115.700 -0.038 0.000 2.527 381 S HA 0.074 4.539 4.470 -0.008 0.000 0.222 381 S C 0.458 175.145 174.600 0.146 0.000 0.985 381 S CA -0.090 58.131 58.200 0.035 0.000 0.921 381 S CB -0.329 62.891 63.200 0.034 0.000 0.772 381 S HN 0.433 nan 8.310 nan 0.000 0.529 382 F N 2.804 122.780 119.950 0.044 0.000 2.405 382 F HA 0.495 5.018 4.527 -0.007 0.000 0.355 382 F C 1.110 176.990 175.800 0.133 0.000 1.121 382 F CA -1.545 56.508 58.000 0.088 0.000 1.112 382 F CB 1.340 40.386 39.000 0.078 0.000 1.126 382 F HN 0.064 nan 8.300 nan 0.000 0.481 383 E N 3.685 123.533 120.200 -0.586 0.000 2.110 383 E HA -0.072 4.273 4.350 -0.008 0.000 0.193 383 E C 2.178 178.565 176.600 -0.355 0.000 0.988 383 E CA 1.391 57.601 56.400 -0.316 0.000 0.804 383 E CB -0.250 29.377 29.700 -0.123 0.000 0.745 383 E HN 1.018 nan 8.360 nan 0.000 0.458 384 G N 0.978 109.182 108.800 -0.993 0.000 2.469 384 G HA2 -0.328 3.627 3.960 -0.008 0.000 0.220 384 G HA3 -0.328 3.627 3.960 -0.008 0.000 0.220 384 G C 1.458 176.074 174.900 -0.472 0.000 1.136 384 G CA 1.018 45.824 45.100 -0.489 0.000 0.759 384 G HN 0.219 nan 8.290 nan 0.000 0.562 385 N N 0.441 118.970 118.700 -0.286 0.000 2.120 385 N HA -0.077 4.658 4.740 -0.008 0.000 0.188 385 N C 2.132 177.390 175.510 -0.420 0.000 1.024 385 N CA 0.643 53.599 53.050 -0.157 0.000 0.852 385 N CB -0.607 38.043 38.487 0.272 0.000 1.003 385 N HN 0.244 nan 8.380 nan 0.000 0.424 386 L N 0.425 121.453 121.223 -0.325 0.000 2.034 386 L HA -0.281 4.054 4.340 -0.008 0.000 0.217 386 L C 1.588 177.972 176.870 -0.810 0.000 1.077 386 L CA 1.998 56.391 54.840 -0.745 0.000 0.769 386 L CB -0.592 41.140 42.059 -0.545 0.000 0.890 386 L HN 0.198 nan 8.230 nan 0.000 0.435 387 Y N -0.211 119.911 120.300 -0.297 0.000 2.337 387 Y HA -0.086 4.459 4.550 -0.009 0.000 0.293 387 Y C 2.756 178.513 175.900 -0.237 0.000 1.123 387 Y CA 0.885 58.944 58.100 -0.067 0.000 1.201 387 Y CB -0.389 38.227 38.460 0.262 0.000 1.011 387 Y HN 0.143 nan 8.280 nan 0.000 0.545 388 R N -0.584 119.760 120.500 -0.260 0.000 2.120 388 R HA -0.130 4.205 4.340 -0.008 0.000 0.234 388 R C 1.619 177.668 176.300 -0.419 0.000 1.123 388 R CA 1.391 57.304 56.100 -0.312 0.000 0.975 388 R CB -0.349 29.747 30.300 -0.340 0.000 0.866 388 R HN 0.254 nan 8.270 nan 0.000 0.446 389 I N 0.066 120.269 120.570 -0.612 0.000 2.296 389 I HA -0.145 4.020 4.170 -0.008 0.000 0.242 389 I C 1.987 177.782 176.117 -0.535 0.000 1.087 389 I CA 0.684 61.594 61.300 -0.649 0.000 1.393 389 I CB -0.558 36.675 38.000 -1.278 0.000 1.093 389 I HN 0.055 nan 8.210 nan 0.000 0.421 390 L N 1.149 122.002 121.223 -0.616 0.000 2.129 390 L HA -0.245 4.090 4.340 -0.008 0.000 0.212 390 L C 2.582 179.191 176.870 -0.434 0.000 1.087 390 L CA 1.937 56.509 54.840 -0.447 0.000 0.757 390 L CB -1.042 40.783 42.059 -0.390 0.000 0.896 390 L HN 0.570 nan 8.230 nan 0.000 0.434 391 Q N -2.220 117.131 119.800 -0.749 0.000 2.170 391 Q HA -0.221 4.114 4.340 -0.008 0.000 0.203 391 Q C 1.413 177.056 176.000 -0.595 0.000 0.976 391 Q CA 1.811 56.959 55.803 -1.091 0.000 0.858 391 Q CB -0.679 27.137 28.738 -1.538 0.000 0.907 391 Q HN 0.605 nan 8.270 nan 0.000 0.433 392 H N -0.116 118.805 119.070 -0.249 0.000 2.548 392 H HA 0.212 4.763 4.556 -0.008 0.000 0.265 392 H C 1.650 176.937 175.328 -0.067 0.000 0.969 392 H CA 0.480 56.458 56.048 -0.117 0.000 1.155 392 H CB 0.516 30.215 29.762 -0.105 0.000 1.394 392 H HN 0.284 nan 8.280 nan 0.000 0.570 393 L N 0.339 121.559 121.223 -0.005 0.000 2.556 393 L HA 0.104 4.439 4.340 -0.008 0.000 0.226 393 L C 0.506 177.466 176.870 0.150 0.000 1.089 393 L CA 0.025 54.924 54.840 0.099 0.000 0.864 393 L CB 0.591 42.724 42.059 0.124 0.000 1.067 393 L HN -0.109 nan 8.230 nan 0.000 0.477 394 V N 2.724 122.598 119.914 -0.067 0.000 2.458 394 V HA 0.039 4.154 4.120 -0.008 0.000 0.287 394 V C -1.924 174.080 176.094 -0.150 0.000 1.009 394 V CA -1.049 61.146 62.300 -0.175 0.000 1.091 394 V CB -0.170 31.192 31.823 -0.768 0.000 0.960 394 V HN 0.037 nan 8.190 nan 0.000 0.476 395 P HA 0.051 nan 4.420 nan 0.000 0.265 395 P C 0.163 177.506 177.300 0.072 0.000 1.193 395 P CA 0.041 63.147 63.100 0.010 0.000 0.765 395 P CB 0.390 32.075 31.700 -0.025 0.000 0.823 396 E N 2.827 123.095 120.200 0.113 0.000 2.437 396 E HA -0.070 4.275 4.350 -0.008 0.000 0.263 396 E C 0.510 177.200 176.600 0.150 0.000 1.030 396 E CA 0.162 56.665 56.400 0.172 0.000 0.934 396 E CB -0.130 29.646 29.700 0.128 0.000 0.943 396 E HN 0.442 nan 8.360 nan 0.000 0.444 397 N N 0.205 119.016 118.700 0.184 0.000 2.708 397 N HA -0.191 4.544 4.740 -0.008 0.000 0.251 397 N C -0.311 175.292 175.510 0.156 0.000 1.123 397 N CA 1.371 54.512 53.050 0.152 0.000 0.739 397 N CB -1.559 36.989 38.487 0.101 0.000 1.113 397 N HN 0.546 nan 8.380 nan 0.000 0.561 398 S N -1.892 113.923 115.700 0.191 0.000 2.786 398 S HA 0.756 5.221 4.470 -0.008 0.000 0.307 398 S C 0.113 174.864 174.600 0.252 0.000 1.121 398 S CA -0.534 57.766 58.200 0.167 0.000 0.975 398 S CB 2.583 65.843 63.200 0.100 0.000 1.220 398 S HN 0.050 nan 8.310 nan 0.000 0.550 399 S N 0.329 116.172 115.700 0.239 0.000 2.503 399 S HA 0.633 5.098 4.470 -0.008 0.000 0.301 399 S C -1.250 173.527 174.600 0.295 0.000 1.087 399 S CA -0.613 57.790 58.200 0.339 0.000 1.042 399 S CB 1.100 64.532 63.200 0.387 0.000 1.043 399 S HN 0.677 nan 8.310 nan 0.000 0.489 400 L N 3.443 124.869 121.223 0.339 0.000 2.276 400 L HA 0.584 4.919 4.340 -0.008 0.000 0.286 400 L C -1.322 175.726 176.870 0.297 0.000 1.024 400 L CA -0.419 54.583 54.840 0.270 0.000 0.826 400 L CB 0.226 42.416 42.059 0.218 0.000 1.211 400 L HN 0.618 nan 8.230 nan 0.000 0.422 401 F N 5.285 125.336 119.950 0.168 0.000 2.405 401 F HA 0.579 5.101 4.527 -0.009 0.000 0.355 401 F C -0.382 175.473 175.800 0.091 0.000 1.121 401 F CA -0.345 57.743 58.000 0.146 0.000 1.112 401 F CB 1.190 40.246 39.000 0.093 0.000 1.126 401 F HN 0.206 nan 8.300 nan 0.000 0.481 402 V N 6.183 126.067 119.914 -0.049 0.000 2.384 402 V HA 0.461 4.576 4.120 -0.008 0.000 0.287 402 V C 0.666 176.786 176.094 0.042 0.000 1.020 402 V CA -0.788 61.517 62.300 0.007 0.000 0.850 402 V CB 0.995 32.750 31.823 -0.113 0.000 0.987 402 V HN 0.925 nan 8.190 nan 0.000 0.436 403 G N 3.704 112.578 108.800 0.123 0.000 2.636 403 G HA2 0.140 4.095 3.960 -0.008 0.000 0.246 403 G HA3 0.140 4.095 3.960 -0.008 0.000 0.246 403 G C 0.110 175.024 174.900 0.023 0.000 1.216 403 G CA -0.340 44.828 45.100 0.113 0.000 0.854 403 G HN 0.630 nan 8.290 nan 0.000 0.572 404 N N -0.833 117.874 118.700 0.011 0.000 2.366 404 N HA 0.340 5.075 4.740 -0.008 0.000 0.277 404 N C 0.999 176.477 175.510 -0.054 0.000 1.275 404 N CA 0.408 53.436 53.050 -0.037 0.000 0.964 404 N CB 1.060 39.526 38.487 -0.034 0.000 1.167 404 N HN 0.696 nan 8.380 nan 0.000 0.568 405 S N -1.127 114.519 115.700 -0.090 0.000 3.987 405 S HA -0.207 4.258 4.470 -0.008 0.000 0.627 405 S C 1.277 175.784 174.600 -0.155 0.000 2.101 405 S CA 0.866 58.989 58.200 -0.128 0.000 4.035 405 S CB -0.999 62.140 63.200 -0.100 0.000 0.223 405 S HN 0.544 nan 8.310 nan 0.000 0.734 406 M N 2.036 121.553 119.600 -0.139 0.000 2.288 406 M HA 0.086 4.561 4.480 -0.008 0.000 0.266 406 M C -1.022 175.150 176.300 -0.213 0.000 1.072 406 M CA 1.490 56.681 55.300 -0.181 0.000 1.132 406 M CB -2.474 30.059 32.600 -0.112 0.000 1.386 406 M HN 0.352 nan 8.290 nan 0.000 0.432 407 P HA -0.171 nan 4.420 nan 0.000 0.214 407 P C 1.750 178.884 177.300 -0.277 0.000 1.163 407 P CA 1.170 64.194 63.100 -0.128 0.000 0.889 407 P CB -0.154 31.591 31.700 0.074 0.000 0.790 408 I N -0.607 119.843 120.570 -0.200 0.000 2.286 408 I HA -0.215 3.950 4.170 -0.008 0.000 0.248 408 I C 2.178 178.126 176.117 -0.280 0.000 1.115 408 I CA 1.536 62.700 61.300 -0.226 0.000 1.392 408 I CB -0.512 37.385 38.000 -0.171 0.000 1.065 408 I HN -0.202 nan 8.210 nan 0.000 0.418 409 R N 0.103 120.429 120.500 -0.290 0.000 2.075 409 R HA -0.133 4.202 4.340 -0.008 0.000 0.232 409 R C 1.915 177.993 176.300 -0.370 0.000 1.126 409 R CA 1.575 57.485 56.100 -0.317 0.000 0.963 409 R CB -0.460 29.635 30.300 -0.342 0.000 0.858 409 R HN 0.389 nan 8.270 nan 0.000 0.435 410 D N 0.104 120.226 120.400 -0.463 0.000 2.144 410 D HA -0.095 4.540 4.640 -0.008 0.000 0.200 410 D C 1.970 177.998 176.300 -0.454 0.000 0.978 410 D CA 0.906 54.594 54.000 -0.521 0.000 0.833 410 D CB -0.079 40.174 40.800 -0.912 0.000 0.961 410 D HN -0.026 nan 8.370 nan 0.000 0.470 411 V N 1.506 121.087 119.914 -0.555 0.000 2.332 411 V HA -0.247 3.868 4.120 -0.008 0.000 0.248 411 V C 2.227 178.167 176.094 -0.256 0.000 1.055 411 V CA 1.930 63.975 62.300 -0.425 0.000 1.038 411 V CB -0.400 31.041 31.823 -0.637 0.000 0.651 411 V HN 0.144 nan 8.190 nan 0.000 0.450 412 D N -0.271 119.957 120.400 -0.286 0.000 2.117 412 D HA -0.157 4.478 4.640 -0.008 0.000 0.197 412 D C 2.164 178.291 176.300 -0.288 0.000 0.987 412 D CA 2.032 55.880 54.000 -0.254 0.000 0.829 412 D CB -0.155 40.489 40.800 -0.261 0.000 0.961 412 D HN 0.410 nan 8.370 nan 0.000 0.460 413 T N -0.928 113.409 114.554 -0.362 0.000 2.737 413 T HA -0.083 4.262 4.350 -0.008 0.000 0.265 413 T C 1.253 175.681 174.700 -0.452 0.000 1.038 413 T CA 1.068 62.844 62.100 -0.540 0.000 1.144 413 T CB -0.244 68.129 68.868 -0.826 0.000 0.866 413 T HN 0.140 nan 8.240 nan 0.000 0.434 414 F N -0.770 119.237 119.950 0.095 0.000 2.704 414 F HA 0.431 4.953 4.527 -0.008 0.000 0.304 414 F C 0.280 176.216 175.800 0.227 0.000 1.094 414 F CA -1.318 56.785 58.000 0.171 0.000 1.275 414 F CB -0.119 38.987 39.000 0.177 0.000 1.073 414 F HN 0.052 nan 8.300 nan 0.000 0.586 415 F N 2.001 122.018 119.950 0.113 0.000 2.438 415 F HA 0.202 4.725 4.527 -0.008 0.000 0.360 415 F C 0.789 176.627 175.800 0.064 0.000 1.118 415 F CA -0.566 57.484 58.000 0.083 0.000 1.164 415 F CB 0.209 39.259 39.000 0.083 0.000 1.131 415 F HN -0.042 nan 8.300 nan 0.000 0.527 416 E N 3.347 123.624 120.200 0.128 0.000 2.280 416 E HA 0.203 4.548 4.350 -0.008 0.000 0.261 416 E C -0.538 176.129 176.600 0.111 0.000 1.088 416 E CA -1.159 55.316 56.400 0.125 0.000 0.915 416 E CB 0.834 30.604 29.700 0.117 0.000 1.141 416 E HN 0.451 nan 8.360 nan 0.000 0.433 417 K N 1.211 121.675 120.400 0.107 0.000 2.382 417 K HA 0.070 4.385 4.320 -0.008 0.000 0.275 417 K C -0.352 176.281 176.600 0.056 0.000 1.009 417 K CA -0.192 56.142 56.287 0.079 0.000 0.970 417 K CB 0.288 32.836 32.500 0.080 0.000 0.934 417 K HN 0.524 nan 8.250 nan 0.000 0.479 418 Q N 0.929 120.743 119.800 0.025 0.000 2.435 418 Q HA 0.206 4.541 4.340 -0.008 0.000 0.282 418 Q C -1.129 174.854 176.000 -0.028 0.000 1.020 418 Q CA -0.942 54.878 55.803 0.029 0.000 0.820 418 Q CB 1.361 30.152 28.738 0.088 0.000 1.436 418 Q HN 0.468 nan 8.270 nan 0.000 0.395 419 D N 0.538 120.926 120.400 -0.021 0.000 2.347 419 D HA 0.003 4.638 4.640 -0.008 0.000 0.215 419 D C -0.193 176.089 176.300 -0.030 0.000 0.976 419 D CA 0.593 54.557 54.000 -0.060 0.000 0.884 419 D CB 0.257 41.034 40.800 -0.039 0.000 0.915 419 D HN 0.323 nan 8.370 nan 0.000 0.526 420 R N 1.961 122.483 120.500 0.037 0.000 2.401 420 R HA 0.204 4.539 4.340 -0.008 0.000 0.299 420 R C -2.313 174.033 176.300 0.077 0.000 1.064 420 R CA -1.197 54.965 56.100 0.103 0.000 1.000 420 R CB 0.258 30.684 30.300 0.210 0.000 0.973 420 R HN 0.018 nan 8.270 nan 0.000 0.438 421 P HA 0.227 nan 4.420 nan 0.000 0.292 421 P C -1.111 176.305 177.300 0.193 0.000 1.287 421 P CA -0.283 62.838 63.100 0.035 0.000 0.800 421 P CB 0.639 32.367 31.700 0.047 0.000 0.945 422 F N -0.449 119.552 119.950 0.085 0.000 2.770 422 F HA 0.599 5.121 4.527 -0.009 0.000 0.313 422 F C -1.240 174.607 175.800 0.079 0.000 1.154 422 F CA -1.313 56.746 58.000 0.098 0.000 0.923 422 F CB 1.293 40.367 39.000 0.124 0.000 1.301 422 F HN 0.017 nan 8.300 nan 0.000 0.449 423 R N 2.000 122.677 120.500 0.296 0.000 2.514 423 R HA 0.701 5.036 4.340 -0.008 0.000 0.301 423 R C -1.241 175.149 176.300 0.150 0.000 0.962 423 R CA -0.883 55.261 56.100 0.072 0.000 0.882 423 R CB 2.375 32.672 30.300 -0.005 0.000 1.143 423 R HN 0.681 nan 8.270 nan 0.000 0.452 424 I N 3.457 123.986 120.570 -0.068 0.000 2.336 424 I HA 0.305 4.470 4.170 -0.008 0.000 0.292 424 I C -0.778 175.148 176.117 -0.318 0.000 0.991 424 I CA -0.634 60.634 61.300 -0.054 0.000 1.227 424 I CB 0.812 38.770 38.000 -0.069 0.000 1.366 424 I HN 0.408 nan 8.210 nan 0.000 0.466 425 Y N 3.743 123.931 120.300 -0.185 0.000 2.485 425 Y HA 0.595 5.140 4.550 -0.009 0.000 0.345 425 Y C 0.239 175.648 175.900 -0.819 0.000 0.998 425 Y CA -0.546 57.320 58.100 -0.390 0.000 1.059 425 Y CB 2.287 40.554 38.460 -0.322 0.000 1.234 425 Y HN 0.435 nan 8.280 nan 0.000 0.461 426 S N 1.082 116.469 115.700 -0.521 0.000 2.537 426 S HA 0.330 4.795 4.470 -0.008 0.000 0.270 426 S C -1.499 172.979 174.600 -0.203 0.000 1.142 426 S CA -0.930 56.943 58.200 -0.545 0.000 0.870 426 S CB 0.701 63.728 63.200 -0.288 0.000 1.112 426 S HN 0.633 nan 8.310 nan 0.000 0.466 427 N N 2.867 121.557 118.700 -0.016 0.000 2.895 427 N HA 0.215 4.949 4.740 -0.008 0.000 0.277 427 N C 0.377 175.919 175.510 0.052 0.000 1.185 427 N CA -0.134 52.990 53.050 0.123 0.000 1.106 427 N CB 0.157 38.784 38.487 0.233 0.000 1.422 427 N HN 0.320 nan 8.380 nan 0.000 0.521 428 R N 0.095 120.608 120.500 0.021 0.000 2.359 428 R HA 0.172 4.507 4.340 -0.008 0.000 0.231 428 R C 1.673 177.984 176.300 0.019 0.000 0.913 428 R CA -0.153 55.944 56.100 -0.006 0.000 1.075 428 R CB -0.259 30.017 30.300 -0.039 0.000 1.087 428 R HN 0.416 nan 8.270 nan 0.000 0.515 429 G N 0.590 109.432 108.800 0.069 0.000 2.433 429 G HA2 -0.207 3.748 3.960 -0.008 0.000 0.216 429 G HA3 -0.207 3.748 3.960 -0.008 0.000 0.216 429 G C 1.053 175.982 174.900 0.048 0.000 1.186 429 G CA 0.992 46.165 45.100 0.121 0.000 0.779 429 G HN 0.388 nan 8.290 nan 0.000 0.543 430 A N -1.009 121.827 122.820 0.027 0.000 2.551 430 A HA 0.374 4.689 4.320 -0.008 0.000 0.252 430 A C 0.848 178.405 177.584 -0.044 0.000 1.199 430 A CA 0.649 52.649 52.037 -0.061 0.000 0.972 430 A CB -0.144 18.839 19.000 -0.028 0.000 1.153 430 A HN 0.426 nan 8.150 nan 0.000 0.559 431 N N -0.400 118.290 118.700 -0.016 0.000 2.747 431 N HA -0.155 4.580 4.740 -0.008 0.000 0.249 431 N C 0.579 176.075 175.510 -0.023 0.000 1.107 431 N CA 0.038 53.072 53.050 -0.026 0.000 0.707 431 N CB -1.082 37.374 38.487 -0.053 0.000 1.054 431 N HN 0.625 nan 8.380 nan 0.000 0.555 432 G N 0.764 109.559 108.800 -0.007 0.000 2.442 432 G HA2 0.403 4.358 3.960 -0.008 0.000 0.249 432 G HA3 0.403 4.358 3.960 -0.008 0.000 0.249 432 G C 1.189 176.027 174.900 -0.103 0.000 1.263 432 G CA -0.402 44.671 45.100 -0.045 0.000 0.846 432 G HN 0.429 nan 8.290 nan 0.000 0.555 433 I N -0.710 119.762 120.570 -0.163 0.000 3.684 433 I HA 0.147 4.312 4.170 -0.008 0.000 0.304 433 I C -0.111 175.762 176.117 -0.408 0.000 1.278 433 I CA -0.543 60.641 61.300 -0.194 0.000 1.272 433 I CB -0.183 37.751 38.000 -0.111 0.000 1.029 433 I HN 0.272 nan 8.210 nan 0.000 0.458 434 D N 1.676 121.742 120.400 -0.556 0.000 2.341 434 D HA 0.239 4.874 4.640 -0.008 0.000 0.245 434 D C 1.187 176.969 176.300 -0.864 0.000 1.106 434 D CA 0.137 53.730 54.000 -0.680 0.000 0.905 434 D CB 1.307 41.839 40.800 -0.446 0.000 1.202 434 D HN 0.295 nan 8.370 nan 0.000 0.426 435 G N 0.870 109.175 108.800 -0.826 0.000 2.166 435 G HA2 -0.332 3.623 3.960 -0.008 0.000 0.260 435 G HA3 -0.332 3.623 3.960 -0.008 0.000 0.260 435 G C 0.987 175.484 174.900 -0.671 0.000 0.986 435 G CA 0.433 44.845 45.100 -1.147 0.000 0.683 435 G HN 0.490 nan 8.290 nan 0.000 0.527 436 V N -0.182 119.489 119.914 -0.405 0.000 2.407 436 V HA -0.214 3.901 4.120 -0.008 0.000 0.248 436 V C 2.862 178.790 176.094 -0.277 0.000 1.055 436 V CA 2.130 64.302 62.300 -0.213 0.000 1.049 436 V CB -0.451 31.358 31.823 -0.024 0.000 0.662 436 V HN 0.389 nan 8.190 nan 0.000 0.455 437 V N -0.188 119.614 119.914 -0.187 0.000 2.270 437 V HA -0.220 3.895 4.120 -0.008 0.000 0.245 437 V C 2.540 178.532 176.094 -0.170 0.000 1.043 437 V CA 2.347 64.564 62.300 -0.139 0.000 1.014 437 V CB -0.683 31.086 31.823 -0.089 0.000 0.645 437 V HN 0.560 nan 8.190 nan 0.000 0.447 438 S N 0.010 115.634 115.700 -0.126 0.000 2.399 438 S HA -0.178 4.287 4.470 -0.008 0.000 0.231 438 S C 2.217 176.798 174.600 -0.032 0.000 1.022 438 S CA 1.584 59.788 58.200 0.006 0.000 0.983 438 S CB -0.270 62.995 63.200 0.108 0.000 0.803 438 S HN 0.599 nan 8.310 nan 0.000 0.480 439 S N 1.808 117.392 115.700 -0.195 0.000 2.356 439 S HA -0.063 4.402 4.470 -0.008 0.000 0.223 439 S C 2.342 176.553 174.600 -0.648 0.000 1.032 439 S CA 1.000 58.995 58.200 -0.341 0.000 1.005 439 S CB -0.598 62.395 63.200 -0.346 0.000 0.867 439 S HN 0.624 nan 8.310 nan 0.000 0.449 440 A N 2.296 124.561 122.820 -0.924 0.000 1.873 440 A HA -0.161 4.154 4.320 -0.008 0.000 0.218 440 A C 2.153 179.571 177.584 -0.278 0.000 1.193 440 A CA 1.750 53.372 52.037 -0.693 0.000 0.629 440 A CB -0.711 18.013 19.000 -0.461 0.000 0.826 440 A HN 0.351 nan 8.150 nan 0.000 0.447 441 M N -0.560 118.955 119.600 -0.142 0.000 2.089 441 M HA -0.180 4.295 4.480 -0.008 0.000 0.257 441 M C 2.269 178.570 176.300 0.003 0.000 1.071 441 M CA 1.743 57.064 55.300 0.035 0.000 1.096 441 M CB -1.997 30.713 32.600 0.183 0.000 1.330 441 M HN 0.507 nan 8.290 nan 0.000 0.403 442 G N -1.079 107.587 108.800 -0.225 0.000 2.422 442 G HA2 -0.037 3.918 3.960 -0.008 0.000 0.218 442 G HA3 -0.037 3.918 3.960 -0.008 0.000 0.218 442 G C 1.647 176.274 174.900 -0.454 0.000 1.140 442 G CA 0.636 45.304 45.100 -0.720 0.000 0.775 442 G HN 0.367 nan 8.290 nan 0.000 0.545 443 V N 0.068 119.784 119.914 -0.330 0.000 2.490 443 V HA -0.191 3.924 4.120 -0.008 0.000 0.250 443 V C 2.882 178.859 176.094 -0.195 0.000 1.061 443 V CA 1.614 63.737 62.300 -0.296 0.000 1.064 443 V CB -0.397 31.243 31.823 -0.306 0.000 0.670 443 V HN 0.570 nan 8.190 nan 0.000 0.461 444 C N -0.181 119.038 119.300 -0.135 0.000 2.489 444 C HA -0.099 4.356 4.460 -0.008 0.000 0.279 444 C C 2.822 177.773 174.990 -0.065 0.000 1.266 444 C CA 0.958 59.940 59.018 -0.060 0.000 1.707 444 C CB -0.766 26.966 27.740 -0.013 0.000 2.059 444 C HN 0.561 nan 8.230 nan 0.000 0.481 445 E N 0.314 120.459 120.200 -0.091 0.000 2.147 445 E HA -0.142 4.203 4.350 -0.008 0.000 0.199 445 E C 2.194 178.719 176.600 -0.125 0.000 1.005 445 E CA 1.808 58.146 56.400 -0.103 0.000 0.810 445 E CB -0.841 28.721 29.700 -0.231 0.000 0.736 445 E HN 0.791 nan 8.360 nan 0.000 0.460 446 G N -0.326 108.365 108.800 -0.182 0.000 2.394 446 G HA2 -0.213 3.742 3.960 -0.008 0.000 0.215 446 G HA3 -0.213 3.742 3.960 -0.008 0.000 0.215 446 G C 1.676 176.529 174.900 -0.077 0.000 1.165 446 G CA 1.572 46.580 45.100 -0.153 0.000 0.784 446 G HN 0.452 nan 8.290 nan 0.000 0.535 447 T N -2.526 111.993 114.554 -0.058 0.000 3.057 447 T HA 0.160 4.504 4.350 -0.008 0.000 0.254 447 T C 1.184 175.890 174.700 0.011 0.000 1.094 447 T CA 0.660 62.757 62.100 -0.004 0.000 1.088 447 T CB 0.078 68.962 68.868 0.027 0.000 0.934 447 T HN 0.077 nan 8.240 nan 0.000 0.497 448 K N 1.081 121.481 120.400 0.001 0.000 3.077 448 K HA -0.099 4.216 4.320 -0.008 0.000 0.264 448 K C 0.011 176.626 176.600 0.025 0.000 1.008 448 K CA 0.830 57.126 56.287 0.015 0.000 0.740 448 K CB -2.343 30.168 32.500 0.018 0.000 1.273 448 K HN 0.881 nan 8.250 nan 0.000 0.477 449 A N -0.839 121.998 122.820 0.029 0.000 2.602 449 A HA 0.747 5.062 4.320 -0.008 0.000 0.290 449 A C -2.813 174.796 177.584 0.042 0.000 1.114 449 A CA -1.343 50.718 52.037 0.041 0.000 0.683 449 A CB 1.527 20.563 19.000 0.060 0.000 1.281 449 A HN -0.093 nan 8.150 nan 0.000 0.416 450 P HA 0.408 nan 4.420 nan 0.000 0.271 450 P C -0.945 176.392 177.300 0.062 0.000 1.216 450 P CA -0.014 63.106 63.100 0.033 0.000 0.776 450 P CB 0.838 32.541 31.700 0.006 0.000 0.881 451 V N 3.192 123.142 119.914 0.059 0.000 2.588 451 V HA 0.398 4.513 4.120 -0.008 0.000 0.304 451 V C 0.007 176.163 176.094 0.103 0.000 1.042 451 V CA -0.317 62.040 62.300 0.096 0.000 0.877 451 V CB 2.201 34.069 31.823 0.075 0.000 0.996 451 V HN 0.462 nan 8.190 nan 0.000 0.425 452 T N 5.696 120.341 114.554 0.152 0.000 2.797 452 T HA 0.636 4.981 4.350 -0.008 0.000 0.279 452 T C -0.785 174.030 174.700 0.192 0.000 0.991 452 T CA -0.277 61.931 62.100 0.179 0.000 0.979 452 T CB 1.409 70.428 68.868 0.252 0.000 0.943 452 T HN 0.444 nan 8.240 nan 0.000 0.444 453 L N 5.044 126.360 121.223 0.155 0.000 2.319 453 L HA 0.650 4.985 4.340 -0.008 0.000 0.281 453 L C -0.957 175.976 176.870 0.104 0.000 1.005 453 L CA -0.614 54.324 54.840 0.163 0.000 0.828 453 L CB 1.130 43.256 42.059 0.112 0.000 1.227 453 L HN 0.440 nan 8.230 nan 0.000 0.415 454 V N 6.272 126.258 119.914 0.120 0.000 2.383 454 V HA 0.567 4.682 4.120 -0.008 0.000 0.275 454 V C 0.042 176.189 176.094 0.089 0.000 1.036 454 V CA -0.449 61.892 62.300 0.068 0.000 0.889 454 V CB 0.986 32.868 31.823 0.098 0.000 0.985 454 V HN 0.781 nan 8.190 nan 0.000 0.459 455 I N 2.682 123.270 120.570 0.030 0.000 2.827 455 I HA 0.777 4.942 4.170 -0.008 0.000 0.298 455 I C 0.497 176.620 176.117 0.010 0.000 1.235 455 I CA -0.411 60.919 61.300 0.050 0.000 1.021 455 I CB 2.219 40.269 38.000 0.084 0.000 1.259 455 I HN 0.754 nan 8.210 nan 0.000 0.427 456 G N 3.510 112.341 108.800 0.051 0.000 2.562 456 G HA2 0.145 4.100 3.960 -0.008 0.000 0.275 456 G HA3 0.145 4.100 3.960 -0.008 0.000 0.275 456 G C 0.610 175.557 174.900 0.078 0.000 1.196 456 G CA 0.152 45.284 45.100 0.053 0.000 0.908 456 G HN 0.802 nan 8.290 nan 0.000 0.524 457 D N -0.075 120.379 120.400 0.089 0.000 2.144 457 D HA -0.145 4.490 4.640 -0.008 0.000 0.200 457 D C 2.264 178.750 176.300 0.310 0.000 0.978 457 D CA 0.725 54.805 54.000 0.133 0.000 0.833 457 D CB -0.103 40.826 40.800 0.216 0.000 0.961 457 D HN 0.365 nan 8.370 nan 0.000 0.470 458 L N 0.547 121.939 121.223 0.282 0.000 2.056 458 L HA -0.110 4.224 4.340 -0.008 0.000 0.207 458 L C 2.931 180.030 176.870 0.381 0.000 1.078 458 L CA 0.989 56.040 54.840 0.350 0.000 0.749 458 L CB -0.612 41.615 42.059 0.280 0.000 0.901 458 L HN 0.066 nan 8.230 nan 0.000 0.433 459 S N -0.012 115.837 115.700 0.248 0.000 2.356 459 S HA -0.232 4.233 4.470 -0.008 0.000 0.223 459 S C 2.012 176.735 174.600 0.204 0.000 1.032 459 S CA 1.310 59.613 58.200 0.173 0.000 1.005 459 S CB -0.366 62.887 63.200 0.089 0.000 0.867 459 S HN 0.397 nan 8.310 nan 0.000 0.449 460 F N 0.890 120.867 119.950 0.045 0.000 2.095 460 F HA -0.174 4.349 4.527 -0.008 0.000 0.298 460 F C 2.131 177.993 175.800 0.103 0.000 1.104 460 F CA 2.011 60.000 58.000 -0.018 0.000 1.232 460 F CB -0.581 38.297 39.000 -0.205 0.000 0.987 460 F HN 0.449 nan 8.300 nan 0.000 0.475 461 Y N 0.139 120.516 120.300 0.129 0.000 2.165 461 Y HA -0.326 4.219 4.550 -0.009 0.000 0.286 461 Y C 2.734 178.666 175.900 0.053 0.000 1.155 461 Y CA 2.336 60.532 58.100 0.160 0.000 1.164 461 Y CB -1.296 37.353 38.460 0.315 0.000 0.978 461 Y HN 0.195 nan 8.280 nan 0.000 0.513 462 H N -0.624 118.298 119.070 -0.248 0.000 2.352 462 H HA -0.146 4.405 4.556 -0.009 0.000 0.299 462 H C 0.454 175.576 175.328 -0.344 0.000 1.097 462 H CA 2.034 57.874 56.048 -0.346 0.000 1.311 462 H CB -0.183 29.521 29.762 -0.097 0.000 1.377 462 H HN 0.390 nan 8.280 nan 0.000 0.504 463 D N 0.049 120.370 120.400 -0.132 0.000 3.008 463 D HA 0.054 4.689 4.640 -0.008 0.000 0.312 463 D C 1.264 177.390 176.300 -0.289 0.000 1.361 463 D CA -0.233 53.656 54.000 -0.184 0.000 0.858 463 D CB -0.169 40.529 40.800 -0.171 0.000 1.098 463 D HN 0.065 nan 8.370 nan 0.000 0.482 464 L N 0.679 121.692 121.223 -0.351 0.000 2.081 464 L HA -0.136 4.199 4.340 -0.008 0.000 0.212 464 L C 1.722 178.389 176.870 -0.338 0.000 1.080 464 L CA 1.369 55.992 54.840 -0.361 0.000 0.754 464 L CB -0.818 41.142 42.059 -0.164 0.000 0.893 464 L HN 0.213 nan 8.230 nan 0.000 0.433 465 N N -0.307 118.264 118.700 -0.215 0.000 2.272 465 N HA -0.120 4.615 4.740 -0.008 0.000 0.185 465 N C 1.826 177.169 175.510 -0.279 0.000 1.014 465 N CA 1.184 54.128 53.050 -0.177 0.000 0.870 465 N CB -0.564 37.880 38.487 -0.071 0.000 0.975 465 N HN 0.413 nan 8.380 nan 0.000 0.433 466 G N 0.155 108.800 108.800 -0.259 0.000 2.498 466 G HA2 -0.130 3.825 3.960 -0.008 0.000 0.219 466 G HA3 -0.130 3.825 3.960 -0.008 0.000 0.219 466 G C 1.304 176.031 174.900 -0.289 0.000 1.119 466 G CA 0.165 45.137 45.100 -0.214 0.000 0.766 466 G HN 0.293 nan 8.290 nan 0.000 0.552 467 L N -0.136 120.788 121.223 -0.499 0.000 2.551 467 L HA 0.119 4.454 4.340 -0.008 0.000 0.228 467 L C 2.401 178.948 176.870 -0.539 0.000 1.153 467 L CA -0.187 54.326 54.840 -0.545 0.000 0.851 467 L CB -0.142 41.469 42.059 -0.748 0.000 0.959 467 L HN 0.188 nan 8.230 nan 0.000 0.451 468 L N 0.326 121.250 121.223 -0.497 0.000 2.201 468 L HA -0.060 4.275 4.340 -0.008 0.000 0.212 468 L C 2.580 179.398 176.870 -0.087 0.000 1.105 468 L CA 1.574 56.331 54.840 -0.137 0.000 0.775 468 L CB -0.477 41.567 42.059 -0.026 0.000 0.913 468 L HN 0.154 nan 8.230 nan 0.000 0.440 469 A N -0.528 122.197 122.820 -0.157 0.000 2.019 469 A HA -0.067 4.248 4.320 -0.008 0.000 0.219 469 A C 2.446 179.989 177.584 -0.068 0.000 1.164 469 A CA 1.454 53.395 52.037 -0.159 0.000 0.644 469 A CB -0.917 17.935 19.000 -0.247 0.000 0.805 469 A HN 0.551 nan 8.150 nan 0.000 0.449 470 A N 0.989 123.786 122.820 -0.037 0.000 1.841 470 A HA -0.230 4.085 4.320 -0.008 0.000 0.216 470 A C 2.099 179.705 177.584 0.037 0.000 1.199 470 A CA 2.076 54.124 52.037 0.017 0.000 0.621 470 A CB -0.635 18.392 19.000 0.045 0.000 0.835 470 A HN 0.626 nan 8.150 nan 0.000 0.445 471 K N -0.308 120.129 120.400 0.061 0.000 1.973 471 K HA -0.129 4.186 4.320 -0.008 0.000 0.212 471 K C 2.220 178.843 176.600 0.039 0.000 1.047 471 K CA 1.443 57.768 56.287 0.064 0.000 0.937 471 K CB -0.360 32.198 32.500 0.096 0.000 0.721 471 K HN 0.349 nan 8.250 nan 0.000 0.440 472 K N 1.001 121.417 120.400 0.028 0.000 2.063 472 K HA -0.082 4.233 4.320 -0.008 0.000 0.208 472 K C 1.777 178.378 176.600 0.002 0.000 1.048 472 K CA 1.300 57.594 56.287 0.011 0.000 0.928 472 K CB 0.032 32.530 32.500 -0.004 0.000 0.713 472 K HN 0.174 nan 8.250 nan 0.000 0.442 473 L N -0.438 120.778 121.223 -0.011 0.000 2.728 473 L HA 0.218 4.552 4.340 -0.008 0.000 0.238 473 L C 0.719 177.611 176.870 0.036 0.000 1.143 473 L CA 0.130 54.975 54.840 0.009 0.000 0.937 473 L CB 0.595 42.635 42.059 -0.032 0.000 1.225 473 L HN 0.341 nan 8.230 nan 0.000 0.507 474 G N 1.907 110.725 108.800 0.030 0.000 2.323 474 G HA2 -0.291 3.664 3.960 -0.008 0.000 0.292 474 G HA3 -0.291 3.664 3.960 -0.008 0.000 0.292 474 G C 0.060 174.986 174.900 0.043 0.000 1.040 474 G CA 0.147 45.270 45.100 0.037 0.000 0.942 474 G HN 0.363 nan 8.290 nan 0.000 0.506 475 I N 1.703 122.297 120.570 0.041 0.000 2.331 475 I HA 0.306 4.471 4.170 -0.008 0.000 0.292 475 I C -1.661 174.481 176.117 0.042 0.000 0.998 475 I CA -2.473 58.857 61.300 0.050 0.000 1.267 475 I CB 1.771 39.813 38.000 0.070 0.000 1.386 475 I HN -0.039 nan 8.210 nan 0.000 0.476 476 P HA 0.328 nan 4.420 nan 0.000 0.280 476 P C -1.117 176.207 177.300 0.040 0.000 1.244 476 P CA -0.395 62.727 63.100 0.037 0.000 0.784 476 P CB 1.914 33.629 31.700 0.025 0.000 0.913 477 L N 2.553 123.808 121.223 0.052 0.000 2.513 477 L HA 0.434 4.769 4.340 -0.008 0.000 0.261 477 L C -0.865 176.050 176.870 0.076 0.000 0.945 477 L CA -0.051 54.823 54.840 0.056 0.000 0.848 477 L CB 2.281 44.371 42.059 0.050 0.000 1.334 477 L HN 0.217 nan 8.230 nan 0.000 0.407 478 T N 3.933 118.530 114.554 0.071 0.000 2.753 478 T HA 0.544 4.889 4.350 -0.008 0.000 0.297 478 T C -0.596 174.140 174.700 0.059 0.000 0.981 478 T CA -0.271 61.875 62.100 0.076 0.000 0.956 478 T CB 0.867 69.775 68.868 0.068 0.000 0.936 478 T HN 0.331 nan 8.240 nan 0.000 0.463 479 V N 5.979 125.895 119.914 0.004 0.000 2.333 479 V HA 0.363 4.478 4.120 -0.008 0.000 0.274 479 V C 0.305 176.319 176.094 -0.134 0.000 1.028 479 V CA -0.715 61.551 62.300 -0.057 0.000 0.851 479 V CB 0.702 32.472 31.823 -0.089 0.000 1.000 479 V HN 0.821 nan 8.190 nan 0.000 0.456 480 I N 6.330 126.854 120.570 -0.077 0.000 2.269 480 I HA 0.201 4.366 4.170 -0.008 0.000 0.293 480 I C -0.178 175.837 176.117 -0.170 0.000 1.106 480 I CA -0.319 60.932 61.300 -0.082 0.000 1.248 480 I CB 0.916 38.910 38.000 -0.010 0.000 1.444 480 I HN 0.449 nan 8.210 nan 0.000 0.497 481 L N 9.013 130.074 121.223 -0.270 0.000 2.268 481 L HA 0.307 4.641 4.340 -0.008 0.000 0.289 481 L C -0.163 176.587 176.870 -0.202 0.000 1.064 481 L CA -0.077 54.540 54.840 -0.371 0.000 0.824 481 L CB 0.966 42.628 42.059 -0.662 0.000 1.202 481 L HN 0.268 nan 8.230 nan 0.000 0.433 482 V N 5.069 124.906 119.914 -0.128 0.000 2.352 482 V HA 0.229 4.344 4.120 -0.008 0.000 0.253 482 V C 0.369 176.457 176.094 -0.011 0.000 1.083 482 V CA -0.369 61.901 62.300 -0.050 0.000 0.993 482 V CB -0.183 31.643 31.823 0.005 0.000 1.111 482 V HN 0.785 nan 8.190 nan 0.000 0.490 483 N N 4.647 123.353 118.700 0.009 0.000 2.462 483 N HA 0.184 4.919 4.740 -0.008 0.000 0.242 483 N C 0.505 176.076 175.510 0.102 0.000 1.010 483 N CA -0.468 52.629 53.050 0.080 0.000 0.939 483 N CB 0.881 39.451 38.487 0.138 0.000 1.127 483 N HN 0.696 nan 8.380 nan 0.000 0.509 484 N N 1.660 120.429 118.700 0.115 0.000 2.234 484 N HA 0.100 4.835 4.740 -0.008 0.000 0.227 484 N C -0.710 174.882 175.510 0.137 0.000 1.151 484 N CA -0.410 52.710 53.050 0.116 0.000 0.865 484 N CB 0.052 38.605 38.487 0.111 0.000 1.066 484 N HN 0.321 nan 8.380 nan 0.000 0.515 485 D N -0.285 120.210 120.400 0.159 0.000 2.904 485 D HA -0.018 4.617 4.640 -0.008 0.000 0.231 485 D C 0.413 176.804 176.300 0.152 0.000 1.185 485 D CA 1.935 56.033 54.000 0.162 0.000 0.783 485 D CB -1.212 39.667 40.800 0.131 0.000 0.961 485 D HN 0.855 nan 8.370 nan 0.000 0.409 486 G N -0.183 108.717 108.800 0.168 0.000 2.315 486 G HA2 0.448 4.403 3.960 -0.008 0.000 0.296 486 G HA3 0.448 4.403 3.960 -0.008 0.000 0.296 486 G C 0.281 175.302 174.900 0.201 0.000 1.289 486 G CA 0.045 45.248 45.100 0.171 0.000 0.996 486 G HN 0.883 nan 8.290 nan 0.000 0.487 487 G N 0.552 109.510 108.800 0.262 0.000 2.985 487 G HA2 0.546 4.501 3.960 -0.008 0.000 0.282 487 G HA3 0.546 4.501 3.960 -0.008 0.000 0.282 487 G C 1.384 176.433 174.900 0.247 0.000 0.791 487 G CA 1.004 46.289 45.100 0.307 0.000 1.934 487 G HN 1.769 nan 8.290 nan 0.000 0.563 488 G N 2.129 111.026 108.800 0.162 0.000 2.545 488 G HA2 -0.347 3.608 3.960 -0.008 0.000 0.222 488 G HA3 -0.347 3.608 3.960 -0.008 0.000 0.222 488 G C 1.629 176.628 174.900 0.165 0.000 1.126 488 G CA 1.051 46.249 45.100 0.165 0.000 0.754 488 G HN 0.637 nan 8.290 nan 0.000 0.583 489 I N -0.693 119.870 120.570 -0.011 0.000 2.361 489 I HA -0.074 4.091 4.170 -0.008 0.000 0.251 489 I C 2.056 178.191 176.117 0.030 0.000 1.133 489 I CA 0.960 62.218 61.300 -0.069 0.000 1.413 489 I CB -0.051 37.715 38.000 -0.391 0.000 1.073 489 I HN 0.204 nan 8.210 nan 0.000 0.424 490 F N 0.146 120.272 119.950 0.294 0.000 2.699 490 F HA -0.070 4.452 4.527 -0.008 0.000 0.298 490 F C 2.429 178.474 175.800 0.407 0.000 1.154 490 F CA 0.431 58.616 58.000 0.309 0.000 1.457 490 F CB -0.403 38.737 39.000 0.234 0.000 1.106 490 F HN -0.003 nan 8.300 nan 0.000 0.585 491 S N -0.357 115.609 115.700 0.444 0.000 2.481 491 S HA -0.081 4.384 4.470 -0.008 0.000 0.231 491 S C 1.453 176.009 174.600 -0.073 0.000 0.996 491 S CA 0.704 58.973 58.200 0.115 0.000 0.942 491 S CB -0.416 62.767 63.200 -0.028 0.000 0.768 491 S HN 0.314 nan 8.310 nan 0.000 0.520 492 F N 1.459 121.443 119.950 0.056 0.000 2.710 492 F HA 0.261 4.782 4.527 -0.009 0.000 0.298 492 F C 0.796 176.612 175.800 0.026 0.000 1.137 492 F CA 0.002 58.010 58.000 0.013 0.000 1.444 492 F CB -0.333 38.651 39.000 -0.026 0.000 1.111 492 F HN 0.047 nan 8.300 nan 0.000 0.580 493 L N 2.587 123.938 121.223 0.213 0.000 2.456 493 L HA 0.055 4.390 4.340 -0.008 0.000 0.272 493 L C -0.793 176.106 176.870 0.049 0.000 1.189 493 L CA -1.465 53.455 54.840 0.133 0.000 0.846 493 L CB 0.308 42.443 42.059 0.126 0.000 1.111 493 L HN -0.132 nan 8.230 nan 0.000 0.475 494 P HA -0.177 nan 4.420 nan 0.000 0.221 494 P C 0.541 177.827 177.300 -0.023 0.000 1.145 494 P CA 1.213 64.317 63.100 0.006 0.000 0.795 494 P CB 0.194 31.906 31.700 0.020 0.000 0.775 495 Q N -0.698 119.085 119.800 -0.029 0.000 2.365 495 Q HA 0.320 4.655 4.340 -0.008 0.000 0.203 495 Q C 1.933 177.898 176.000 -0.058 0.000 0.929 495 Q CA 0.366 56.145 55.803 -0.041 0.000 0.948 495 Q CB -0.285 28.405 28.738 -0.080 0.000 1.043 495 Q HN 0.139 nan 8.270 nan 0.000 0.505 496 A N 0.679 123.401 122.820 -0.165 0.000 2.172 496 A HA -0.096 4.219 4.320 -0.008 0.000 0.216 496 A C 1.988 179.287 177.584 -0.475 0.000 1.154 496 A CA 1.109 52.783 52.037 -0.605 0.000 0.701 496 A CB -0.166 18.448 19.000 -0.644 0.000 0.789 496 A HN 0.310 nan 8.150 nan 0.000 0.465 497 S N 0.781 116.354 115.700 -0.211 0.000 2.377 497 S HA -0.060 4.405 4.470 -0.008 0.000 0.223 497 S C 0.676 175.236 174.600 -0.066 0.000 1.030 497 S CA 0.421 58.542 58.200 -0.132 0.000 0.970 497 S CB -0.274 62.880 63.200 -0.077 0.000 0.830 497 S HN 0.637 nan 8.310 nan 0.000 0.473 498 E N 2.208 122.402 120.200 -0.010 0.000 2.710 498 E HA 0.029 4.374 4.350 -0.008 0.000 0.299 498 E C 0.377 177.037 176.600 0.101 0.000 1.132 498 E CA 0.100 56.535 56.400 0.057 0.000 1.220 498 E CB -0.244 29.522 29.700 0.110 0.000 1.058 498 E HN 0.259 nan 8.360 nan 0.000 0.472 499 K N 0.280 120.706 120.400 0.044 0.000 2.281 499 K HA -0.146 4.169 4.320 -0.008 0.000 0.203 499 K C 2.118 178.776 176.600 0.096 0.000 1.046 499 K CA 1.431 57.763 56.287 0.075 0.000 0.938 499 K CB -0.290 32.221 32.500 0.017 0.000 0.737 499 K HN 0.470 nan 8.250 nan 0.000 0.458 500 T N -1.881 112.688 114.554 0.025 0.000 2.915 500 T HA -0.151 4.194 4.350 -0.008 0.000 0.269 500 T C 1.365 175.941 174.700 -0.206 0.000 1.071 500 T CA 1.182 63.214 62.100 -0.112 0.000 1.132 500 T CB -0.100 68.647 68.868 -0.200 0.000 0.878 500 T HN 0.250 nan 8.240 nan 0.000 0.479 501 H N -1.779 117.387 119.070 0.160 0.000 3.255 501 H HA 0.311 4.862 4.556 -0.009 0.000 0.256 501 H C 1.397 176.864 175.328 0.232 0.000 1.049 501 H CA -0.059 56.082 56.048 0.155 0.000 1.202 501 H CB -0.208 29.637 29.762 0.140 0.000 1.497 501 H HN 0.408 nan 8.280 nan 0.000 0.503 502 F N 2.800 122.928 119.950 0.297 0.000 2.043 502 F HA -0.285 4.238 4.527 -0.008 0.000 0.297 502 F C 2.471 178.455 175.800 0.306 0.000 1.118 502 F CA 2.199 60.422 58.000 0.371 0.000 1.202 502 F CB 0.183 39.294 39.000 0.184 0.000 0.965 502 F HN 0.008 nan 8.300 nan 0.000 0.482 503 E N 0.547 120.945 120.200 0.331 0.000 2.118 503 E HA -0.204 4.141 4.350 -0.008 0.000 0.195 503 E C 1.859 178.466 176.600 0.011 0.000 0.992 503 E CA 1.752 58.251 56.400 0.164 0.000 0.804 503 E CB -0.513 29.320 29.700 0.221 0.000 0.741 503 E HN 0.457 nan 8.360 nan 0.000 0.458 504 D N -0.797 119.622 120.400 0.033 0.000 2.144 504 D HA -0.091 4.544 4.640 -0.008 0.000 0.200 504 D C 1.689 177.894 176.300 -0.159 0.000 0.978 504 D CA 0.964 54.950 54.000 -0.024 0.000 0.833 504 D CB 0.142 40.970 40.800 0.048 0.000 0.961 504 D HN 0.270 nan 8.370 nan 0.000 0.470 505 L N -1.828 119.215 121.223 -0.299 0.000 2.537 505 L HA 0.158 4.493 4.340 -0.008 0.000 0.224 505 L C 1.439 177.695 176.870 -1.023 0.000 1.065 505 L CA 0.090 54.525 54.840 -0.674 0.000 0.860 505 L CB 0.197 41.726 42.059 -0.884 0.000 1.086 505 L HN -0.082 nan 8.230 nan 0.000 0.482 506 F N -0.967 118.642 119.950 -0.568 0.000 2.537 506 F HA 0.310 4.832 4.527 -0.008 0.000 0.275 506 F C 2.431 177.938 175.800 -0.488 0.000 0.947 506 F CA 0.464 57.953 58.000 -0.852 0.000 1.238 506 F CB -1.092 37.194 39.000 -1.190 0.000 1.071 506 F HN -0.141 nan 8.300 nan 0.000 0.749 507 G N 0.231 108.805 108.800 -0.376 0.000 2.491 507 G HA2 -0.278 3.677 3.960 -0.008 0.000 0.218 507 G HA3 -0.278 3.677 3.960 -0.008 0.000 0.218 507 G C 0.871 175.801 174.900 0.049 0.000 1.180 507 G CA 1.972 47.062 45.100 -0.017 0.000 0.774 507 G HN 0.485 nan 8.290 nan 0.000 0.562 508 T N -0.266 114.273 114.554 -0.025 0.000 3.361 508 T HA -0.157 4.188 4.350 -0.008 0.000 0.417 508 T C -1.592 173.126 174.700 0.031 0.000 0.769 508 T CA 0.622 62.714 62.100 -0.013 0.000 2.085 508 T CB -1.810 67.038 68.868 -0.034 0.000 1.689 508 T HN 0.496 nan 8.240 nan 0.000 0.639 509 P HA 0.190 nan 4.420 nan 0.000 0.270 509 P C 1.246 178.547 177.300 0.002 0.000 1.223 509 P CA 0.411 63.541 63.100 0.050 0.000 0.785 509 P CB 0.917 32.651 31.700 0.056 0.000 0.923 510 T N -3.873 110.679 114.554 -0.003 0.000 2.978 510 T HA 0.270 4.614 4.350 -0.008 0.000 0.248 510 T C 1.450 176.108 174.700 -0.070 0.000 1.018 510 T CA 0.847 62.899 62.100 -0.081 0.000 1.026 510 T CB -0.730 68.043 68.868 -0.159 0.000 1.032 510 T HN 0.598 nan 8.240 nan 0.000 0.485 511 G N 1.495 110.280 108.800 -0.025 0.000 2.212 511 G HA2 -0.219 3.736 3.960 -0.008 0.000 0.266 511 G HA3 -0.219 3.736 3.960 -0.008 0.000 0.266 511 G C -0.005 174.847 174.900 -0.079 0.000 0.978 511 G CA 0.194 45.278 45.100 -0.028 0.000 0.632 511 G HN 0.602 nan 8.290 nan 0.000 0.537 512 L N 1.468 122.586 121.223 -0.175 0.000 2.615 512 L HA 0.249 4.584 4.340 -0.008 0.000 0.284 512 L C 0.495 177.136 176.870 -0.382 0.000 1.237 512 L CA 0.142 54.759 54.840 -0.372 0.000 0.905 512 L CB 0.564 42.193 42.059 -0.716 0.000 1.149 512 L HN 0.275 nan 8.230 nan 0.000 0.499 513 D N 3.321 123.582 120.400 -0.231 0.000 2.456 513 D HA 0.073 4.708 4.640 -0.008 0.000 0.219 513 D C 0.898 177.104 176.300 -0.156 0.000 1.126 513 D CA -0.201 53.721 54.000 -0.131 0.000 0.890 513 D CB 0.154 40.922 40.800 -0.053 0.000 1.025 513 D HN 0.347 nan 8.370 nan 0.000 0.511 514 F N 2.361 122.371 119.950 0.100 0.000 2.546 514 F HA -0.097 4.425 4.527 -0.009 0.000 0.298 514 F C 2.506 178.342 175.800 0.060 0.000 1.120 514 F CA 0.443 58.560 58.000 0.195 0.000 1.456 514 F CB 0.007 39.226 39.000 0.364 0.000 1.088 514 F HN 0.406 nan 8.300 nan 0.000 0.572 515 K N 0.184 120.488 120.400 -0.159 0.000 2.152 515 K HA -0.228 4.087 4.320 -0.008 0.000 0.206 515 K C 1.464 177.920 176.600 -0.240 0.000 1.048 515 K CA 1.788 57.775 56.287 -0.499 0.000 0.933 515 K CB -0.732 31.151 32.500 -1.029 0.000 0.721 515 K HN 0.305 nan 8.250 nan 0.000 0.447 516 H N 0.895 119.941 119.070 -0.040 0.000 2.421 516 H HA 0.003 4.555 4.556 -0.008 0.000 0.298 516 H C 2.258 177.614 175.328 0.046 0.000 1.087 516 H CA 1.502 57.540 56.048 -0.017 0.000 1.330 516 H CB -0.150 29.586 29.762 -0.044 0.000 1.388 516 H HN 0.487 nan 8.280 nan 0.000 0.526 517 A N 1.242 124.218 122.820 0.260 0.000 1.872 517 A HA 0.001 4.316 4.320 -0.008 0.000 0.214 517 A C 2.741 180.531 177.584 0.344 0.000 1.187 517 A CA 1.531 53.764 52.037 0.327 0.000 0.614 517 A CB -0.882 18.420 19.000 0.503 0.000 0.826 517 A HN 0.400 nan 8.150 nan 0.000 0.442 518 A N 0.086 123.117 122.820 0.352 0.000 1.903 518 A HA 0.008 4.323 4.320 -0.008 0.000 0.219 518 A C 2.513 180.222 177.584 0.209 0.000 1.191 518 A CA 2.624 54.852 52.037 0.318 0.000 0.638 518 A CB -1.122 18.077 19.000 0.332 0.000 0.823 518 A HN 1.122 nan 8.150 nan 0.000 0.451 519 A N -0.745 122.154 122.820 0.130 0.000 1.877 519 A HA -0.014 4.301 4.320 -0.008 0.000 0.216 519 A C 2.119 179.717 177.584 0.022 0.000 1.186 519 A CA 1.730 53.812 52.037 0.075 0.000 0.620 519 A CB -0.696 18.340 19.000 0.059 0.000 0.822 519 A HN 0.764 nan 8.150 nan 0.000 0.443 520 L N -1.279 119.921 121.223 -0.040 0.000 2.043 520 L HA -0.183 4.152 4.340 -0.008 0.000 0.212 520 L C 1.779 178.437 176.870 -0.353 0.000 1.075 520 L CA 1.924 56.607 54.840 -0.262 0.000 0.752 520 L CB -0.769 41.021 42.059 -0.448 0.000 0.891 520 L HN 0.518 nan 8.230 nan 0.000 0.432 521 Y N -0.626 119.720 120.300 0.077 0.000 2.493 521 Y HA 0.400 4.944 4.550 -0.009 0.000 0.275 521 Y C 1.607 177.549 175.900 0.071 0.000 1.183 521 Y CA 0.084 58.224 58.100 0.067 0.000 1.258 521 Y CB -0.076 38.427 38.460 0.071 0.000 1.108 521 Y HN 0.278 nan 8.280 nan 0.000 0.521 522 G N 0.679 109.568 108.800 0.149 0.000 2.221 522 G HA2 -0.228 3.727 3.960 -0.008 0.000 0.265 522 G HA3 -0.228 3.727 3.960 -0.008 0.000 0.265 522 G C 0.495 175.478 174.900 0.138 0.000 1.041 522 G CA 0.062 45.233 45.100 0.118 0.000 0.807 522 G HN 0.677 nan 8.290 nan 0.000 0.502 523 G N -0.722 108.187 108.800 0.182 0.000 2.437 523 G HA2 0.796 4.751 3.960 -0.008 0.000 0.319 523 G HA3 0.796 4.751 3.960 -0.008 0.000 0.319 523 G C 0.344 175.361 174.900 0.196 0.000 1.158 523 G CA 0.464 45.681 45.100 0.194 0.000 0.899 523 G HN 1.235 nan 8.290 nan 0.000 0.502 524 T N -1.883 112.790 114.554 0.199 0.000 2.909 524 T HA 0.514 4.859 4.350 -0.008 0.000 0.286 524 T C -0.874 174.056 174.700 0.384 0.000 1.002 524 T CA -0.518 61.708 62.100 0.211 0.000 1.074 524 T CB 1.472 70.366 68.868 0.044 0.000 0.984 524 T HN 0.432 nan 8.240 nan 0.000 0.495 525 Y N 1.383 121.796 120.300 0.188 0.000 2.393 525 Y HA 0.588 5.133 4.550 -0.008 0.000 0.341 525 Y C -0.627 175.368 175.900 0.158 0.000 0.988 525 Y CA -0.567 57.630 58.100 0.161 0.000 1.078 525 Y CB 1.900 40.421 38.460 0.102 0.000 1.203 525 Y HN 0.922 nan 8.280 nan 0.000 0.453 526 S N 3.863 119.227 115.700 -0.560 0.000 2.542 526 S HA 0.484 4.949 4.470 -0.008 0.000 0.293 526 S C -1.599 172.536 174.600 -0.774 0.000 1.089 526 S CA -0.736 57.202 58.200 -0.437 0.000 0.961 526 S CB 1.607 64.710 63.200 -0.161 0.000 1.062 526 S HN 0.755 nan 8.310 nan 0.000 0.483 527 C N 4.480 123.573 119.300 -0.345 0.000 3.002 527 C HA 0.462 4.917 4.460 -0.008 0.000 0.248 527 C C -2.600 172.348 174.990 -0.071 0.000 1.153 527 C CA -1.858 57.052 59.018 -0.179 0.000 1.502 527 C CB -0.937 26.824 27.740 0.035 0.000 1.805 527 C HN 0.687 nan 8.230 nan 0.000 0.450 528 P HA 0.222 nan 4.420 nan 0.000 0.271 528 P C 0.210 177.451 177.300 -0.097 0.000 1.216 528 P CA 0.342 63.425 63.100 -0.030 0.000 0.771 528 P CB 1.244 32.989 31.700 0.075 0.000 0.864 529 A N 2.149 124.909 122.820 -0.101 0.000 2.348 529 A HA 0.309 4.624 4.320 -0.008 0.000 0.224 529 A C 0.791 178.238 177.584 -0.229 0.000 1.227 529 A CA 0.567 52.518 52.037 -0.144 0.000 0.885 529 A CB -0.170 18.781 19.000 -0.083 0.000 0.933 529 A HN 0.680 nan 8.150 nan 0.000 0.506 530 S N -3.850 111.706 115.700 -0.240 0.000 2.625 530 S HA 0.405 4.870 4.470 -0.008 0.000 0.271 530 S C 0.005 174.459 174.600 -0.243 0.000 1.161 530 S CA -0.630 57.371 58.200 -0.333 0.000 0.820 530 S CB -0.171 62.941 63.200 -0.146 0.000 1.137 530 S HN 0.318 nan 8.310 nan 0.000 0.470 531 W N 0.691 121.998 121.300 0.013 0.000 2.425 531 W HA 0.006 4.658 4.660 -0.012 0.000 0.277 531 W C 1.572 178.158 176.519 0.112 0.000 1.231 531 W CA 0.585 57.954 57.345 0.040 0.000 1.248 531 W CB -0.169 29.276 29.460 -0.025 0.000 1.117 531 W HN 0.695 nan 8.180 nan 0.000 0.568 532 D N 0.561 121.107 120.400 0.243 0.000 2.097 532 D HA -0.172 4.463 4.640 -0.008 0.000 0.195 532 D C 1.761 178.149 176.300 0.145 0.000 0.989 532 D CA 1.444 55.543 54.000 0.166 0.000 0.827 532 D CB -0.376 40.480 40.800 0.094 0.000 0.966 532 D HN 0.345 nan 8.370 nan 0.000 0.456 533 E N -0.488 119.780 120.200 0.115 0.000 2.204 533 E HA -0.139 4.206 4.350 -0.008 0.000 0.194 533 E C 1.896 178.577 176.600 0.136 0.000 0.989 533 E CA 0.221 56.674 56.400 0.088 0.000 0.824 533 E CB -0.119 29.605 29.700 0.040 0.000 0.756 533 E HN 0.272 nan 8.360 nan 0.000 0.477 534 F N 2.256 122.259 119.950 0.088 0.000 2.128 534 F HA -0.100 4.422 4.527 -0.009 0.000 0.295 534 F C 1.940 177.832 175.800 0.152 0.000 1.100 534 F CA 1.364 59.444 58.000 0.134 0.000 1.260 534 F CB 0.110 39.285 39.000 0.291 0.000 1.009 534 F HN -0.250 nan 8.300 nan 0.000 0.476 535 K N -0.564 120.002 120.400 0.277 0.000 2.211 535 K HA -0.129 4.186 4.320 -0.008 0.000 0.204 535 K C 1.778 178.410 176.600 0.054 0.000 1.047 535 K CA 1.790 58.176 56.287 0.164 0.000 0.935 535 K CB -0.379 32.236 32.500 0.191 0.000 0.728 535 K HN 0.300 nan 8.250 nan 0.000 0.452 536 T N 0.210 114.789 114.554 0.041 0.000 3.009 536 T HA 0.050 4.395 4.350 -0.008 0.000 0.258 536 T C 1.893 176.588 174.700 -0.009 0.000 1.063 536 T CA 0.885 62.996 62.100 0.017 0.000 1.139 536 T CB 0.115 69.000 68.868 0.029 0.000 0.890 536 T HN 0.262 nan 8.240 nan 0.000 0.471 537 A N 0.351 123.153 122.820 -0.030 0.000 2.021 537 A HA 0.167 4.482 4.320 -0.008 0.000 0.216 537 A C 0.774 178.380 177.584 0.036 0.000 1.163 537 A CA 0.194 52.244 52.037 0.021 0.000 0.676 537 A CB -0.507 18.503 19.000 0.017 0.000 0.818 537 A HN 0.509 nan 8.150 nan 0.000 0.453 538 Y N 0.950 121.049 120.300 -0.334 0.000 2.486 538 Y HA 0.417 4.962 4.550 -0.008 0.000 0.348 538 Y C 0.189 175.992 175.900 -0.161 0.000 1.000 538 Y CA -0.832 57.042 58.100 -0.376 0.000 1.253 538 Y CB 0.146 38.140 38.460 -0.776 0.000 1.140 538 Y HN 0.212 nan 8.280 nan 0.000 0.526 539 A N 7.859 130.410 122.820 -0.449 0.000 3.399 539 A HA 0.402 4.717 4.320 -0.008 0.000 0.262 539 A C -2.842 174.542 177.584 -0.333 0.000 1.145 539 A CA -1.189 50.620 52.037 -0.381 0.000 0.916 539 A CB -0.351 18.540 19.000 -0.182 0.000 1.360 539 A HN 0.572 nan 8.150 nan 0.000 0.628 540 P HA 0.344 nan 4.420 nan 0.000 0.265 540 P C -0.226 176.985 177.300 -0.147 0.000 1.193 540 P CA 0.646 63.588 63.100 -0.263 0.000 0.765 540 P CB 0.674 32.206 31.700 -0.280 0.000 0.823 541 Q N 1.699 121.453 119.800 -0.078 0.000 2.565 541 Q HA 0.790 5.125 4.340 -0.008 0.000 0.294 541 Q C -1.387 174.603 176.000 -0.017 0.000 1.005 541 Q CA -1.122 54.653 55.803 -0.047 0.000 0.771 541 Q CB 1.256 29.964 28.738 -0.050 0.000 1.486 541 Q HN 0.234 nan 8.270 nan 0.000 0.422 542 A N 0.415 123.231 122.820 -0.006 0.000 2.676 542 A HA 0.359 4.674 4.320 -0.008 0.000 0.258 542 A C -0.498 177.091 177.584 0.009 0.000 0.898 542 A CA -0.299 51.742 52.037 0.007 0.000 1.087 542 A CB 0.001 19.010 19.000 0.016 0.000 1.214 542 A HN 0.647 nan 8.150 nan 0.000 0.474 543 D N 0.590 120.992 120.400 0.003 0.000 2.323 543 D HA 0.106 4.741 4.640 -0.008 0.000 0.218 543 D C 0.568 176.873 176.300 0.007 0.000 0.973 543 D CA 1.090 55.093 54.000 0.005 0.000 0.890 543 D CB 0.465 41.264 40.800 -0.001 0.000 1.011 543 D HN 0.510 nan 8.370 nan 0.000 0.499 544 K N 0.573 120.975 120.400 0.004 0.000 2.352 544 K HA 0.504 4.819 4.320 -0.008 0.000 0.240 544 K C -2.674 173.934 176.600 0.013 0.000 1.017 544 K CA -1.898 54.393 56.287 0.008 0.000 0.851 544 K CB 1.347 33.847 32.500 0.001 0.000 1.261 544 K HN -0.263 nan 8.250 nan 0.000 0.451 545 P HA 0.047 nan 4.420 nan 0.000 0.271 545 P C -0.554 176.759 177.300 0.022 0.000 1.233 545 P CA 0.209 63.325 63.100 0.025 0.000 0.795 545 P CB 0.275 31.991 31.700 0.028 0.000 0.936 546 G N 0.195 109.015 108.800 0.033 0.000 2.151 546 G HA2 0.128 4.083 3.960 -0.008 0.000 0.183 546 G HA3 0.128 4.083 3.960 -0.008 0.000 0.183 546 G C -1.698 173.238 174.900 0.061 0.000 1.472 546 G CA -0.730 44.390 45.100 0.033 0.000 1.060 546 G HN 0.541 nan 8.290 nan 0.000 0.641 547 L N 3.927 125.204 121.223 0.089 0.000 2.265 547 L HA 0.603 4.938 4.340 -0.008 0.000 0.289 547 L C -0.320 176.666 176.870 0.193 0.000 1.033 547 L CA -0.815 54.103 54.840 0.131 0.000 0.814 547 L CB 1.184 43.330 42.059 0.144 0.000 1.203 547 L HN 0.730 nan 8.230 nan 0.000 0.423 548 H N 5.386 124.488 119.070 0.053 0.000 2.587 548 H HA 0.296 4.847 4.556 -0.009 0.000 0.325 548 H C -1.271 174.082 175.328 0.043 0.000 1.012 548 H CA -1.004 55.068 56.048 0.040 0.000 1.213 548 H CB 2.024 31.784 29.762 -0.004 0.000 1.431 548 H HN 0.468 nan 8.280 nan 0.000 0.492 549 L N 7.640 128.913 121.223 0.084 0.000 2.262 549 L HA 0.368 4.702 4.340 -0.008 0.000 0.288 549 L C -1.161 175.516 176.870 -0.323 0.000 1.035 549 L CA -0.242 54.562 54.840 -0.059 0.000 0.820 549 L CB 0.365 42.536 42.059 0.186 0.000 1.204 549 L HN 0.574 nan 8.230 nan 0.000 0.424 550 I N 4.943 125.273 120.570 -0.400 0.000 2.359 550 I HA 0.320 4.485 4.170 -0.008 0.000 0.284 550 I C -0.090 175.876 176.117 -0.251 0.000 1.018 550 I CA -0.435 60.627 61.300 -0.397 0.000 1.173 550 I CB 1.329 39.127 38.000 -0.336 0.000 1.326 550 I HN 0.609 nan 8.210 nan 0.000 0.462 551 E N 7.183 127.205 120.200 -0.297 0.000 2.200 551 E HA 0.405 4.750 4.350 -0.008 0.000 0.283 551 E C -1.001 175.552 176.600 -0.079 0.000 1.015 551 E CA -0.642 55.673 56.400 -0.141 0.000 0.819 551 E CB 1.092 30.800 29.700 0.014 0.000 1.081 551 E HN 0.401 nan 8.360 nan 0.000 0.397 552 I N 4.763 125.300 120.570 -0.055 0.000 2.362 552 I HA 0.254 4.419 4.170 -0.008 0.000 0.289 552 I C -0.148 175.955 176.117 -0.022 0.000 0.994 552 I CA -0.698 60.572 61.300 -0.051 0.000 1.158 552 I CB 1.276 39.239 38.000 -0.062 0.000 1.315 552 I HN 0.461 nan 8.210 nan 0.000 0.451 553 K N 5.109 125.500 120.400 -0.015 0.000 2.248 553 K HA 0.453 4.768 4.320 -0.008 0.000 0.281 553 K C 0.288 176.894 176.600 0.010 0.000 1.054 553 K CA -0.299 56.000 56.287 0.021 0.000 0.903 553 K CB 1.562 34.084 32.500 0.037 0.000 1.077 553 K HN 0.758 nan 8.250 nan 0.000 0.474 554 T N -1.159 113.417 114.554 0.036 0.000 2.907 554 T HA 0.283 4.627 4.350 -0.008 0.000 0.290 554 T C -0.977 173.767 174.700 0.072 0.000 1.066 554 T CA -0.948 61.180 62.100 0.046 0.000 1.012 554 T CB 1.843 70.734 68.868 0.038 0.000 1.184 554 T HN 0.390 nan 8.240 nan 0.000 0.522 555 D N -0.468 119.986 120.400 0.090 0.000 2.453 555 D HA 0.310 4.945 4.640 -0.008 0.000 0.238 555 D C 1.396 177.762 176.300 0.109 0.000 1.088 555 D CA -0.936 53.121 54.000 0.096 0.000 0.854 555 D CB 1.055 41.908 40.800 0.089 0.000 1.076 555 D HN 0.652 nan 8.370 nan 0.000 0.533 556 R N 2.619 123.184 120.500 0.109 0.000 2.236 556 R HA -0.026 4.309 4.340 -0.008 0.000 0.208 556 R C 0.906 177.255 176.300 0.083 0.000 1.036 556 R CA 0.409 56.576 56.100 0.112 0.000 1.001 556 R CB -0.075 30.312 30.300 0.145 0.000 0.896 556 R HN 0.344 nan 8.270 nan 0.000 0.464 557 Q N 1.473 121.319 119.800 0.077 0.000 2.119 557 Q HA -0.065 4.270 4.340 -0.008 0.000 0.201 557 Q C 1.909 177.916 176.000 0.012 0.000 0.972 557 Q CA 2.035 57.862 55.803 0.039 0.000 0.847 557 Q CB 0.010 28.774 28.738 0.043 0.000 0.903 557 Q HN 0.550 nan 8.270 nan 0.000 0.433 558 S N -0.591 115.135 115.700 0.043 0.000 2.524 558 S HA 0.121 4.586 4.470 -0.008 0.000 0.215 558 S C 1.727 176.377 174.600 0.084 0.000 0.986 558 S CA -0.106 58.118 58.200 0.041 0.000 0.911 558 S CB 0.358 63.586 63.200 0.048 0.000 0.805 558 S HN 0.219 nan 8.310 nan 0.000 0.501 559 R N 1.708 122.284 120.500 0.126 0.000 2.083 559 R HA -0.046 4.289 4.340 -0.008 0.000 0.237 559 R C 1.748 178.166 176.300 0.196 0.000 1.137 559 R CA 1.850 58.109 56.100 0.264 0.000 0.951 559 R CB -0.889 29.539 30.300 0.213 0.000 0.851 559 R HN 0.298 nan 8.270 nan 0.000 0.434 560 V N 0.936 120.794 119.914 -0.095 0.000 2.282 560 V HA -0.281 3.833 4.120 -0.008 0.000 0.249 560 V C 2.437 178.523 176.094 -0.013 0.000 1.057 560 V CA 2.213 64.340 62.300 -0.288 0.000 1.032 560 V CB -0.651 30.823 31.823 -0.582 0.000 0.645 560 V HN 0.416 nan 8.190 nan 0.000 0.447 561 Q N -0.310 119.483 119.800 -0.012 0.000 2.079 561 Q HA -0.079 4.255 4.340 -0.008 0.000 0.200 561 Q C 2.059 178.072 176.000 0.021 0.000 0.974 561 Q CA 1.662 57.468 55.803 0.005 0.000 0.840 561 Q CB -0.425 28.300 28.738 -0.021 0.000 0.898 561 Q HN 0.616 nan 8.270 nan 0.000 0.430 562 L N -0.723 120.502 121.223 0.003 0.000 2.012 562 L HA -0.243 4.092 4.340 -0.008 0.000 0.210 562 L C 2.392 179.203 176.870 -0.099 0.000 1.073 562 L CA 1.805 56.550 54.840 -0.158 0.000 0.748 562 L CB -0.657 41.176 42.059 -0.377 0.000 0.891 562 L HN 0.421 nan 8.230 nan 0.000 0.431 563 H N 0.293 119.454 119.070 0.151 0.000 2.265 563 H HA -0.182 4.370 4.556 -0.008 0.000 0.295 563 H C 2.511 177.987 175.328 0.246 0.000 1.084 563 H CA 2.046 58.337 56.048 0.405 0.000 1.261 563 H CB 0.086 30.187 29.762 0.565 0.000 1.360 563 H HN 0.047 nan 8.280 nan 0.000 0.487 564 R N -0.022 120.670 120.500 0.319 0.000 2.096 564 R HA -0.121 4.214 4.340 -0.008 0.000 0.235 564 R C 1.883 178.235 176.300 0.086 0.000 1.127 564 R CA 1.442 57.666 56.100 0.207 0.000 0.968 564 R CB -0.074 30.333 30.300 0.178 0.000 0.861 564 R HN 0.503 nan 8.270 nan 0.000 0.440 565 D N 0.501 120.927 120.400 0.043 0.000 2.084 565 D HA -0.205 4.430 4.640 -0.008 0.000 0.194 565 D C 1.773 178.069 176.300 -0.006 0.000 0.990 565 D CA 1.224 55.226 54.000 0.003 0.000 0.826 565 D CB -0.224 40.557 40.800 -0.031 0.000 0.971 565 D HN 0.136 nan 8.370 nan 0.000 0.453 566 M N 0.198 119.777 119.600 -0.034 0.000 2.082 566 M HA -0.187 4.288 4.480 -0.008 0.000 0.258 566 M C 1.858 178.158 176.300 -0.000 0.000 1.069 566 M CA 1.500 56.779 55.300 -0.035 0.000 1.102 566 M CB 0.005 32.570 32.600 -0.058 0.000 1.336 566 M HN -0.018 nan 8.290 nan 0.000 0.404 567 L N -0.406 120.828 121.223 0.019 0.000 2.131 567 L HA -0.139 4.196 4.340 -0.008 0.000 0.206 567 L C 2.072 179.014 176.870 0.120 0.000 1.087 567 L CA 0.669 55.566 54.840 0.095 0.000 0.767 567 L CB -1.165 40.960 42.059 0.111 0.000 0.917 567 L HN 0.358 nan 8.230 nan 0.000 0.441 568 N N 0.357 119.102 118.700 0.075 0.000 2.188 568 N HA -0.192 4.543 4.740 -0.008 0.000 0.184 568 N C 1.733 177.253 175.510 0.017 0.000 1.018 568 N CA 1.023 54.107 53.050 0.057 0.000 0.858 568 N CB -0.055 38.456 38.487 0.040 0.000 0.989 568 N HN 0.388 nan 8.380 nan 0.000 0.426 569 E N 0.789 120.994 120.200 0.009 0.000 2.038 569 E HA -0.167 4.177 4.350 -0.008 0.000 0.195 569 E C 1.828 178.360 176.600 -0.114 0.000 1.000 569 E CA 1.334 57.728 56.400 -0.009 0.000 0.803 569 E CB -0.032 29.712 29.700 0.072 0.000 0.750 569 E HN 0.331 nan 8.360 nan 0.000 0.448 570 A N 0.371 123.153 122.820 -0.064 0.000 1.908 570 A HA -0.170 4.145 4.320 -0.008 0.000 0.218 570 A C 2.427 179.944 177.584 -0.113 0.000 1.181 570 A CA 1.583 53.492 52.037 -0.214 0.000 0.627 570 A CB -0.772 17.822 19.000 -0.677 0.000 0.818 570 A HN 0.227 nan 8.150 nan 0.000 0.445 571 V N -0.090 119.875 119.914 0.085 0.000 2.287 571 V HA -0.299 3.816 4.120 -0.008 0.000 0.248 571 V C 2.668 178.758 176.094 -0.006 0.000 1.053 571 V CA 2.379 64.762 62.300 0.137 0.000 1.027 571 V CB -0.796 31.109 31.823 0.137 0.000 0.646 571 V HN 0.528 nan 8.190 nan 0.000 0.447 572 R N -0.434 120.029 120.500 -0.061 0.000 2.081 572 R HA -0.202 4.133 4.340 -0.008 0.000 0.235 572 R C 2.387 178.609 176.300 -0.130 0.000 1.131 572 R CA 1.596 57.645 56.100 -0.085 0.000 0.960 572 R CB -0.290 29.963 30.300 -0.077 0.000 0.856 572 R HN 0.513 nan 8.270 nan 0.000 0.436 573 E N 0.592 120.631 120.200 -0.267 0.000 2.085 573 E HA -0.159 4.186 4.350 -0.008 0.000 0.194 573 E C 1.786 178.314 176.600 -0.121 0.000 0.994 573 E CA 1.321 57.538 56.400 -0.305 0.000 0.801 573 E CB -0.207 29.057 29.700 -0.727 0.000 0.743 573 E HN 0.041 nan 8.360 nan 0.000 0.453 574 V N 0.520 120.388 119.914 -0.076 0.000 2.252 574 V HA -0.329 3.786 4.120 -0.008 0.000 0.249 574 V C 2.261 178.420 176.094 0.108 0.000 1.056 574 V CA 2.471 64.781 62.300 0.017 0.000 1.022 574 V CB -0.476 31.355 31.823 0.014 0.000 0.641 574 V HN 0.249 nan 8.190 nan 0.000 0.445 575 K N -0.142 120.277 120.400 0.031 0.000 2.057 575 K HA -0.192 4.123 4.320 -0.008 0.000 0.207 575 K C 2.197 178.868 176.600 0.118 0.000 1.049 575 K CA 1.496 57.808 56.287 0.041 0.000 0.931 575 K CB -0.268 32.207 32.500 -0.041 0.000 0.714 575 K HN 0.377 nan 8.250 nan 0.000 0.440 576 K N 0.688 121.127 120.400 0.065 0.000 1.978 576 K HA -0.232 4.083 4.320 -0.008 0.000 0.214 576 K C 2.184 178.861 176.600 0.129 0.000 1.049 576 K CA 1.626 57.953 56.287 0.067 0.000 0.939 576 K CB 0.001 32.508 32.500 0.011 0.000 0.721 576 K HN 0.036 nan 8.250 nan 0.000 0.441 577 Q N -0.025 119.859 119.800 0.141 0.000 2.156 577 Q HA -0.270 4.065 4.340 -0.008 0.000 0.211 577 Q C 1.826 178.050 176.000 0.374 0.000 0.995 577 Q CA 1.648 57.580 55.803 0.216 0.000 0.877 577 Q CB -0.531 28.298 28.738 0.151 0.000 0.920 577 Q HN 0.621 nan 8.270 nan 0.000 0.416 578 W N 1.558 122.992 121.300 0.223 0.000 2.374 578 W HA -0.169 4.485 4.660 -0.010 0.000 0.288 578 W C 1.121 177.631 176.519 -0.016 0.000 1.218 578 W CA 1.266 58.673 57.345 0.102 0.000 1.245 578 W CB 0.250 29.742 29.460 0.054 0.000 1.126 578 W HN 0.160 nan 8.180 nan 0.000 0.545 579 E N 0.633 120.974 120.200 0.235 0.000 2.208 579 E HA -0.010 4.335 4.350 -0.008 0.000 0.193 579 E C 1.398 178.015 176.600 0.028 0.000 0.988 579 E CA 0.551 57.025 56.400 0.124 0.000 0.828 579 E CB -0.586 29.183 29.700 0.115 0.000 0.763 579 E HN 0.295 nan 8.360 nan 0.000 0.478 580 L N 0.000 121.243 121.223 0.033 0.000 2.949 580 L HA 0.000 4.335 4.340 -0.008 0.000 0.249 580 L CA 0.000 54.842 54.840 0.003 0.000 0.813 580 L CB 0.000 42.081 42.059 0.037 0.000 0.961 580 L HN 0.000 nan 8.230 nan 0.000 0.502